#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtm n GLY 3 N 0.00 -0.67 1.34 7.55 0.00 -1.26 -5.10 105.19 107.06 3gtm n GLY 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gtm n GLY 3 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gtm n GLN 4 N 0.00 -3.84 -1.81 1.61 1.13 -1.26 -4.78 117.38 108.43 3gtm n GLN 4 Ca 0.00 2.84 0.00 0.00 -1.94 0.00 0.00 57.00 57.90 3gtm n GLN 4 Cb 0.00 -3.18 0.00 0.00 0.11 0.00 0.00 30.24 27.17 3gtm n GLN 4 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3gtm n GLN 5 N -0.63 -4.81 -2.07 -1.09 6.02 -1.26 -4.93 117.38 108.60 3gtm n GLN 5 Ca 0.00 3.47 -0.40 0.00 -0.01 0.00 0.00 57.00 60.07 3gtm n GLN 5 Cb 0.00 -3.69 -0.01 0.00 1.02 0.00 0.00 30.24 27.56 3gtm n GLN 5 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3gtm s TYR 6 N -0.74 2.88 0.05 1.08 5.04 -1.26 -5.04 117.35 119.36 3gtm s TYR 6 Ca 0.00 1.41 0.08 0.00 -2.44 0.00 0.00 57.07 56.12 3gtm s TYR 6 Cb 0.00 -3.67 -0.03 0.00 0.35 0.00 0.00 41.96 38.61 3gtm s TYR 6 CO 0.00 -2.02 -0.20 -1.54 -1.34 0.00 0.00 175.55 170.45 3gtm s SER 7 N -0.67 3.70 0.09 4.32 1.04 -1.26 -5.05 113.70 115.87 3gtm s SER 7 Ca 0.55 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 56.32 3gtm s SER 7 Cb -0.38 -0.55 -0.08 0.00 0.10 0.00 0.00 66.02 65.11 3gtm s SER 7 CO 0.50 0.25 1.57 0.77 0.98 0.00 0.00 173.24 177.30 3gtm h SER 8 N 4.48 0.39 -2.20 7.02 4.64 -2.05 -3.45 113.55 122.37 3gtm h SER 8 Ca -0.48 -0.25 -0.61 0.00 -0.47 0.00 0.00 61.79 59.98 3gtm h SER 8 Cb 1.15 -0.10 0.13 0.00 -0.31 0.00 0.00 62.40 63.28 3gtm h SER 8 CO 0.47 0.54 -0.32 0.00 -0.87 0.00 0.00 176.83 176.65 3gtm n ALA 9 N -2.31 -1.43 -1.76 5.18 0.00 -1.26 -4.89 120.51 114.05 3gtm n ALA 9 Ca -0.03 0.24 -0.38 0.00 0.00 0.00 0.00 53.44 53.26 3gtm n ALA 9 Cb 0.20 -1.80 0.02 0.00 0.00 0.00 0.00 19.45 17.86 3gtm n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gtm s PRO 10 N -1.50 3.48 -0.40 0.00 0.04 -1.26 -5.00 135.00 130.36 3gtm s PRO 10 Ca 0.62 2.11 -0.23 0.00 0.04 0.00 0.00 61.00 63.55 3gtm s PRO 10 Cb -0.66 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 31.49 3gtm s PRO 10 CO 0.58 -0.88 0.75 -1.17 0.04 0.00 0.00 177.00 176.33 3gtm s LEU 11 N -3.15 4.22 0.01 -3.56 2.96 -1.26 -5.04 118.68 112.86 3gtm s LEU 11 Ca 0.66 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 3gtm s LEU 11 Cb -0.37 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.37 3gtm s LEU 11 CO 0.45 -0.79 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.52 3gtm s ARG 12 N 3.10 0.32 0.75 1.98 0.52 -1.26 -5.16 118.95 119.20 3gtm s ARG 12 Ca 0.29 -0.35 -0.10 0.00 -0.52 0.00 0.00 55.73 55.06 3gtm s ARG 12 Cb -0.13 -0.19 0.06 0.00 0.52 0.00 0.00 34.95 35.22 3gtm s ARG 12 CO 0.19 0.04 1.10 0.95 0.02 0.00 0.00 175.30 177.60 3gtm s THR 13 N -0.62 2.29 -0.17 0.02 -4.23 -1.26 -5.05 115.64 106.62 3gtm s THR 13 Ca -0.04 -0.07 -0.16 0.00 -1.18 0.00 0.00 61.69 60.24 3gtm s THR 13 Cb -0.05 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 3gtm s THR 13 CO -0.00 -0.07 0.38 -0.69 -0.54 0.00 0.00 174.62 173.70 3gtm s VAL 14 N -3.41 5.23 -0.16 2.29 1.01 -1.26 -4.96 120.40 119.14 3gtm s VAL 14 Ca 0.61 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 3gtm s VAL 14 Cb -0.11 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 3gtm s VAL 14 CO 0.47 0.31 -0.17 0.29 0.00 0.00 0.00 175.10 176.00 3gtm n LYS 15 N 4.00 0.39 -4.26 2.72 4.76 -1.26 -5.05 118.16 119.46 3gtm n LYS 15 Ca -0.09 0.12 -0.18 0.00 -2.87 0.00 0.00 58.31 55.28 3gtm n LYS 15 Cb 0.51 -1.24 -0.11 0.00 -1.84 0.00 0.00 35.03 32.36 3gtm n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3gtm s GLU 16 N -2.32 1.08 -0.26 1.97 2.02 -1.26 -4.37 118.70 115.56 3gtm s GLU 16 Ca -0.22 -1.30 -0.03 0.00 0.02 0.00 0.00 54.97 53.43 3gtm s GLU 16 Cb 0.07 -0.97 0.09 0.00 0.10 0.00 0.00 34.13 33.42 3gtm s GLU 16 CO 0.34 0.18 0.11 0.08 0.02 0.00 0.00 175.26 175.99 3gtm s VAL 17 N -2.26 0.20 -0.48 2.63 1.01 -1.20 -5.01 120.40 115.29 3gtm s VAL 17 Ca 0.11 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 3gtm s VAL 17 Cb -0.04 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.30 3gtm s VAL 17 CO 0.04 -0.59 0.78 -1.10 0.00 0.00 0.00 175.10 174.23 3gtm s GLN 18 N 1.97 3.33 0.24 2.72 -1.52 -1.26 -2.21 119.66 122.94 3gtm s GLN 18 Ca 0.07 -0.28 -0.30 0.00 -1.95 0.00 0.00 55.36 52.91 3gtm s GLN 18 Cb -0.16 -3.98 -0.09 0.00 -0.22 0.00 0.00 33.01 28.55 3gtm s GLN 18 CO -0.27 -1.19 0.99 -0.06 -0.25 0.00 0.00 175.29 174.51 3gtm s PHE 19 N 3.27 3.86 0.00 0.91 0.40 -0.16 -4.97 117.98 121.29 3gtm s PHE 19 Ca 0.27 1.85 0.00 0.00 -0.60 0.00 0.00 56.93 58.45 3gtm s PHE 19 Cb -0.13 -3.07 0.00 0.00 0.51 0.00 0.00 43.02 40.32 3gtm s PHE 19 CO 0.20 0.14 0.00 0.41 0.70 0.00 0.00 175.22 176.67 3gtm n GLY 20 N 1.46 3.31 3.25 4.36 0.00 -1.24 -3.18 105.19 113.15 3gtm n GLY 20 Ca -0.01 -0.80 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 3gtm n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtm s LEU 21 N 0.00 2.52 -0.26 0.99 1.43 -0.06 -4.48 118.68 118.82 3gtm s LEU 21 Ca 0.00 -0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 51.89 3gtm s LEU 21 Cb 0.00 -0.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.84 3gtm s LEU 21 CO 0.00 -0.31 0.72 -0.36 0.23 0.00 0.00 176.35 176.63 3gtm s PHE 22 N -3.19 3.28 -0.09 0.29 2.99 -1.26 -4.77 117.98 115.22 3gtm s PHE 22 Ca 0.16 0.93 -0.21 0.00 0.00 0.00 0.00 56.93 57.80 3gtm s PHE 22 Cb 0.02 -2.97 -0.04 0.00 0.00 0.00 0.00 43.02 40.03 3gtm s PHE 22 CO 0.01 -0.39 0.60 -1.54 -0.00 0.00 0.00 175.22 173.90 3gtm s SER 23 N 1.44 6.84 0.52 1.36 1.04 -1.26 -4.89 113.70 118.75 3gtm s SER 23 Ca 0.30 1.01 0.34 0.00 0.48 0.00 0.00 55.95 58.08 3gtm s SER 23 Cb -0.15 -2.35 1.48 0.00 0.10 0.00 0.00 66.02 65.09 3gtm s SER 23 CO 0.09 -0.07 1.79 1.55 0.98 0.00 0.00 173.24 177.58 3gtm h PRO 24 N 6.77 0.06 -0.11 4.02 0.13 -1.96 0.47 132.00 141.38 3gtm h PRO 24 Ca -0.41 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.60 3gtm h PRO 24 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3gtm h PRO 24 CO 0.76 0.04 -0.48 0.93 -0.23 0.00 0.00 178.00 179.02 3gtm h GLU 25 N 0.06 0.27 0.00 0.86 3.07 -1.98 -2.16 114.58 114.71 3gtm h GLU 25 Ca 0.58 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3gtm h GLU 25 Cb 2.16 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 30.08 3gtm h GLU 25 CO -0.06 0.69 -0.49 -1.91 -1.40 0.00 0.00 179.01 175.84 3gtm n GLU 26 N -3.97 0.14 0.07 2.33 2.13 0.15 -3.04 120.64 118.44 3gtm n GLU 26 Ca -0.02 0.05 -0.21 0.00 0.66 0.00 0.00 57.16 57.64 3gtm n GLU 26 Cb 0.53 -1.59 -0.11 0.00 0.27 0.00 0.00 31.44 30.53 3gtm n GLU 26 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3gtm h VAL 27 N 0.00 1.29 0.00 6.31 2.07 -0.79 -2.98 116.25 122.15 3gtm h VAL 27 Ca 0.00 -2.38 -0.03 0.00 0.82 0.00 0.00 66.70 65.10 3gtm h VAL 27 Cb 0.62 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3gtm h VAL 27 CO 0.00 0.73 -0.17 0.03 0.02 0.00 0.00 177.57 178.18 3gtm h ARG 28 N 0.32 0.00 0.00 1.57 3.08 -1.47 -2.58 114.38 115.31 3gtm h ARG 28 Ca -0.16 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 3gtm h ARG 28 Cb 1.81 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.84 3gtm h ARG 28 CO 0.22 0.17 -0.67 0.00 -1.07 0.00 0.00 179.97 178.61 3gtm h ALA 29 N 1.83 0.70 0.17 0.04 0.00 -1.62 -3.36 119.26 117.01 3gtm h ALA 29 Ca -0.00 -0.44 -0.35 0.00 0.00 0.00 0.00 54.91 54.12 3gtm h ALA 29 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3gtm h ALA 29 CO 0.02 0.56 -1.77 0.82 0.00 0.00 0.00 179.25 178.88 3gtm h ILE 30 N 0.00 0.88 -4.20 0.00 2.04 -1.45 -3.48 117.51 111.30 3gtm h ILE 30 Ca -0.04 -2.46 -0.53 0.00 1.00 0.00 0.00 64.86 62.83 3gtm h ILE 30 Cb 1.35 2.70 0.15 0.00 -0.74 0.00 0.00 36.82 40.28 3gtm h ILE 30 CO 0.05 0.85 0.37 -0.55 0.00 0.00 0.00 178.15 178.87 3gtm s SER 31 N -7.22 4.17 0.00 1.72 0.15 -0.98 -4.86 113.70 106.68 3gtm s SER 31 Ca -0.18 2.27 0.00 0.00 0.70 0.00 0.00 55.95 58.74 3gtm s SER 31 Cb 0.06 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3gtm s SER 31 CO 0.83 -2.28 0.00 1.33 1.20 0.00 0.00 173.24 174.32 3gtm n VAL 32 N -2.89 0.00 -4.15 4.45 0.24 -1.16 -4.99 118.33 109.83 3gtm n VAL 32 Ca 0.13 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 62.07 3gtm n VAL 32 Cb 0.51 -0.27 -0.08 0.00 -1.47 0.00 0.00 33.84 32.53 3gtm n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gtm s ALA 33 N -1.74 3.55 -1.62 2.33 0.00 -1.26 -4.87 121.76 118.16 3gtm s ALA 33 Ca 0.00 -0.73 0.25 0.00 0.00 0.00 0.00 51.96 51.47 3gtm s ALA 33 Cb 0.00 -1.70 0.39 0.00 0.00 0.00 0.00 23.12 21.82 3gtm s ALA 33 CO 0.00 0.60 1.34 1.63 0.00 0.00 0.00 175.76 179.33 3gtm n LYS 34 N 2.05 0.71 -0.81 0.00 4.01 -1.26 -2.81 118.16 120.04 3gtm n LYS 34 Ca -0.19 -0.49 0.00 0.00 -0.51 0.00 0.00 58.31 57.12 3gtm n LYS 34 Cb 0.54 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.57 3gtm n LYS 34 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 3gtm n ILE 35 N -0.72 0.00 -0.17 -0.18 5.41 -1.24 -4.67 119.36 117.78 3gtm n ILE 35 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3gtm n ILE 35 Cb 0.38 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 3gtm n ILE 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3gtm n ARG 36 N 1.61 0.25 -4.86 0.38 1.74 -1.14 -4.57 116.66 110.07 3gtm n ARG 36 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 3gtm n ARG 36 Cb 0.00 -0.02 -0.16 0.00 -1.02 0.00 0.00 32.46 31.26 3gtm n ARG 36 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gtm s PHE 37 N 0.00 1.77 -0.38 -1.55 0.40 -1.23 -5.03 117.98 111.96 3gtm s PHE 37 Ca 0.00 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 3gtm s PHE 37 Cb 0.00 -1.20 0.48 0.00 0.51 0.00 0.00 43.02 42.82 3gtm s PHE 37 CO 0.00 -0.18 1.49 -0.35 0.70 0.00 0.00 175.22 176.88 3gtm n PRO 38 N 3.17 2.54 -0.47 0.24 -0.05 -1.26 -3.08 135.00 136.09 3gtm n PRO 38 Ca -0.18 -2.02 0.00 0.00 -0.05 0.00 0.00 63.50 61.25 3gtm n PRO 38 Cb 0.53 -1.87 0.00 0.00 -0.05 0.00 0.00 33.50 32.11 3gtm n PRO 38 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 3gtm n GLU 39 N -0.17 1.72 0.00 0.54 1.02 -1.26 -4.78 120.64 117.70 3gtm n GLU 39 Ca 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 3gtm n GLU 39 Cb 1.11 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.53 3gtm n GLU 39 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3gtm n THR 40 N -0.62 0.00 0.00 2.62 -1.04 -1.26 -4.49 114.28 109.49 3gtm n THR 40 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3gtm n THR 40 Cb 0.00 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 3gtm n THR 40 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 3gtm n MET 41 N 0.00 0.92 -2.87 -2.82 -0.00 -1.26 -2.87 117.12 108.22 3gtm n MET 41 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.70 57.65 3gtm n MET 41 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 33.22 33.23 3gtm n MET 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3gtm n ASP 42 N 0.00 -7.69 -2.30 3.17 8.00 -1.26 -4.12 116.55 112.35 3gtm n ASP 42 Ca 0.00 0.93 -0.15 0.00 0.71 0.00 0.00 54.79 56.29 3gtm n ASP 42 Cb 0.00 -4.70 -0.12 0.00 -0.02 0.00 0.00 41.12 36.28 3gtm n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gtm n GLU 43 N 0.39 1.98 -1.81 -1.24 1.02 -1.25 -4.04 120.64 115.70 3gtm n GLU 43 Ca 0.03 -1.06 -0.02 0.00 -0.02 0.00 0.00 57.16 56.08 3gtm n GLU 43 Cb 0.25 -2.07 0.01 0.00 -0.02 0.00 0.00 31.44 29.61 3gtm n GLU 43 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3gtm n THR 44 N 2.81 -2.29 0.00 2.62 -1.04 -1.26 -4.33 114.28 110.78 3gtm n THR 44 Ca 0.43 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 3gtm n THR 44 Cb 0.67 -3.55 0.00 0.00 -1.82 0.00 0.00 70.33 65.63 3gtm n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtm n GLN 45 N -1.77 0.00 -1.72 -2.82 6.02 -1.26 -4.97 117.38 110.85 3gtm n GLN 45 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 3gtm n GLN 45 Cb 0.52 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 3gtm n GLN 45 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3gtm n THR 46 N -1.84 0.32 -1.80 5.09 -1.04 -1.26 -4.79 114.28 108.95 3gtm n THR 46 Ca 0.00 -0.08 -0.20 0.00 -2.04 0.00 0.00 64.05 61.73 3gtm n THR 46 Cb 0.00 -1.96 -0.06 0.00 -1.82 0.00 0.00 70.33 66.49 3gtm n THR 46 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3gtm s ARG 47 N 0.64 2.04 0.00 -2.82 0.52 -1.26 -3.78 118.95 114.29 3gtm s ARG 47 Ca 0.72 0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.98 3gtm s ARG 47 Cb -0.51 -4.93 0.00 0.00 0.52 0.00 0.00 34.95 30.03 3gtm s ARG 47 CO 0.37 -4.00 0.00 0.00 0.02 0.00 0.00 175.30 171.70 3gtm n ALA 48 N 16.49 0.00 -3.21 2.13 0.00 -1.26 -5.07 120.51 129.58 3gtm n ALA 48 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 3gtm n ALA 48 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 3gtm n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gtm s LYS 49 N 4.05 0.90 0.07 0.00 1.02 -1.26 -4.43 119.74 120.09 3gtm s LYS 49 Ca 0.00 -0.28 -0.12 0.00 0.02 0.00 0.00 55.97 55.59 3gtm s LYS 49 Cb 0.00 0.40 -0.06 0.00 -0.52 0.00 0.00 37.83 37.66 3gtm s LYS 49 CO 0.00 -0.30 0.43 -1.50 -0.92 0.00 0.00 175.35 173.06 3gtm s ILE 50 N -2.20 5.03 -0.84 2.17 2.07 -1.14 -4.77 121.20 121.52 3gtm s ILE 50 Ca -0.07 0.63 -0.07 0.00 -1.41 0.00 0.00 60.65 59.73 3gtm s ILE 50 Cb -0.01 -3.68 -0.13 0.00 0.13 0.00 0.00 42.46 38.77 3gtm s ILE 50 CO -0.00 0.36 2.77 0.61 -1.91 0.00 0.00 174.94 176.77 3gtm n GLY 51 N 1.13 3.35 1.67 1.50 0.00 -1.26 -3.71 105.19 107.88 3gtm n GLY 51 Ca -0.09 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3gtm n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtm n GLY 52 N 3.27 0.00 0.00 -0.02 0.00 -1.26 -4.84 105.19 102.33 3gtm n GLY 52 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3gtm n GLY 52 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gtm n LEU 53 N -2.59 0.00 -4.73 0.99 0.00 -1.18 -2.90 117.00 106.60 3gtm n LEU 53 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.61 3gtm n LEU 53 Cb 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.50 3gtm n LEU 53 CO 0.00 0.00 0.42 0.54 0.00 0.00 0.00 177.39 178.35 3gtm s ASN 54 N -0.71 7.07 0.00 1.96 6.03 -1.26 -3.80 114.94 124.24 3gtm s ASN 54 Ca 0.00 1.29 0.00 0.00 -1.03 0.00 0.00 52.86 53.12 3gtm s ASN 54 Cb 0.00 -2.43 0.00 0.00 -3.03 0.00 0.00 41.25 35.79 3gtm s ASN 54 CO 0.00 -0.06 0.00 -0.67 -2.03 0.00 0.00 177.10 174.34 3gtm n ASP 55 N 3.38 0.00 0.00 3.54 2.03 -1.26 -4.59 116.55 119.65 3gtm n ASP 55 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 3gtm n ASP 55 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 3gtm n ASP 55 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3gtm n PRO 56 N -0.89 0.00 0.00 -0.67 -0.02 -1.25 -3.82 135.00 128.35 3gtm n PRO 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gtm n PRO 56 Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3gtm n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gtm n ARG 57 N -0.44 0.00 0.00 -0.52 1.74 -1.26 -4.34 116.66 111.84 3gtm n ARG 57 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3gtm n ARG 57 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3gtm n ARG 57 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gtm n LEU 58 N 0.00 0.00 -4.62 0.55 4.77 -1.25 -4.69 117.00 111.77 3gtm n LEU 58 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 3gtm n LEU 58 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3gtm n LEU 58 CO 0.00 0.00 -0.36 -0.83 -1.33 0.00 0.00 177.39 174.87 3gtm s GLY 59 N 0.00 1.77 0.03 -0.72 0.00 -1.26 -4.70 107.32 102.43 3gtm s GLY 59 Ca 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.79 3gtm s GLY 59 CO 0.00 -0.75 0.04 -1.14 0.00 0.00 0.00 173.10 171.25 3gtm n SER 60 N 1.85 0.04 0.00 1.64 3.41 -1.26 -4.53 113.62 114.77 3gtm n SER 60 Ca -0.17 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 3gtm n SER 60 Cb 0.53 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3gtm n SER 60 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3gtm n ILE 61 N -1.59 0.00 0.00 -1.33 5.41 -1.26 -4.89 119.36 115.70 3gtm n ILE 61 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 3gtm n ILE 61 Cb 0.02 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 3gtm n ILE 61 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3gtm n ASP 62 N -2.46 0.00 -0.47 4.38 8.00 -1.26 -4.61 116.55 120.14 3gtm n ASP 62 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3gtm n ASP 62 Cb 0.13 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 3gtm n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gtm n ARG 63 N -1.13 0.00 -4.08 -1.24 1.74 -1.26 -5.08 116.66 105.61 3gtm n ARG 63 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 3gtm n ARG 63 Cb 0.07 -2.17 -0.13 0.00 -1.02 0.00 0.00 32.46 29.22 3gtm n ARG 63 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3gtm s ASN 64 N -2.85 4.77 0.40 0.55 -0.87 -1.26 -4.97 114.94 110.71 3gtm s ASN 64 Ca 0.00 -0.22 0.21 0.00 -1.57 0.00 0.00 52.86 51.29 3gtm s ASN 64 Cb 0.00 -1.81 1.20 0.00 -0.02 0.00 0.00 41.25 40.61 3gtm s ASN 64 CO 0.00 0.06 1.71 -0.07 -2.57 0.00 0.00 177.10 176.23 3gtm h LEU 65 N 7.51 0.40 -8.46 0.60 3.38 -1.88 -3.43 115.31 113.43 3gtm h LEU 65 Ca -0.36 0.11 -0.65 0.00 0.09 0.00 0.00 57.88 57.07 3gtm h LEU 65 Cb 1.18 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3gtm h LEU 65 CO 0.61 -0.03 1.45 0.29 0.09 0.00 0.00 178.44 180.85 3gtm n LYS 66 N -4.71 0.92 -2.91 1.13 5.02 -1.26 -3.37 118.16 112.98 3gtm n LYS 66 Ca 0.30 0.23 -0.13 0.00 -2.02 0.00 0.00 58.31 56.69 3gtm n LYS 66 Cb 1.06 -2.38 0.03 0.00 -0.02 0.00 0.00 35.03 33.72 3gtm n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gtm n GLN 68 N 0.68 -1.68 0.00 0.00 3.00 -1.26 -2.67 117.38 115.44 3gtm n GLN 68 Ca 0.13 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 3gtm n GLN 68 Cb 0.66 -4.51 0.00 0.00 0.00 0.00 0.00 30.24 26.39 3gtm n GLN 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3gtm n THR 69 N -4.02 0.00 0.19 5.09 -1.04 -1.26 -4.72 114.28 108.52 3gtm n THR 69 Ca -0.11 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.98 3gtm n THR 69 Cb 0.60 0.00 0.43 0.00 -1.82 0.00 0.00 70.33 69.54 3gtm n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtm n GLN 71 N -2.18 0.00 0.00 0.00 10.64 -1.22 -4.69 117.38 119.94 3gtm n GLN 71 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 3gtm n GLN 71 Cb 0.31 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.69 3gtm n GLN 71 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3gtm n GLU 72 N 14.00 0.00 -0.61 2.61 -0.58 -1.26 -4.59 120.64 130.21 3gtm n GLU 72 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 3gtm n GLU 72 Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.83 3gtm n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gtm n GLY 73 N 0.00 -2.80 6.95 0.62 0.00 -1.26 -4.75 105.19 103.95 3gtm n GLY 73 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3gtm n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gtm n MET 74 N -3.06 0.00 -3.06 1.61 2.81 -1.26 -3.19 117.12 110.97 3gtm n MET 74 Ca -0.04 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.47 3gtm n MET 74 Cb 0.29 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.79 3gtm n MET 74 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3gtm n ASN 75 N 5.99 5.89 0.00 7.83 5.15 -1.26 -4.37 115.26 134.49 3gtm n ASN 75 Ca 0.00 -3.46 0.00 0.00 -0.60 0.00 0.00 54.58 50.52 3gtm n ASN 75 Cb 0.00 -1.11 0.00 0.00 -0.53 0.00 0.00 39.78 38.14 3gtm n ASN 75 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3gtm n GLU 76 N 1.02 0.00 -3.20 1.20 4.07 -1.19 -4.88 120.64 117.66 3gtm n GLU 76 Ca 0.29 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 57.00 3gtm n GLU 76 Cb 0.34 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.67 3gtm n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gtm n PRO 78 N 3.88 0.00 -4.87 0.00 -0.04 -1.26 -4.66 135.00 128.05 3gtm n PRO 78 Ca -0.04 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.16 3gtm n PRO 78 Cb 0.51 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.82 3gtm n PRO 78 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3gtm s GLY 79 N 0.00 0.92 -0.13 0.55 0.00 -1.26 -4.84 107.32 102.55 3gtm s GLY 79 Ca 0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 44.72 43.85 3gtm s GLY 79 CO 0.00 -0.54 0.23 0.30 0.00 0.00 0.00 173.10 173.09 3gtm s HIS 80 N -0.24 3.53 0.33 1.90 3.76 -1.26 -4.91 115.29 118.40 3gtm s HIS 80 Ca 0.03 0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 55.34 3gtm s HIS 80 Cb -0.09 -2.18 -0.09 0.00 1.11 0.00 0.00 32.58 31.33 3gtm s HIS 80 CO 0.00 0.46 0.81 -0.06 -0.85 0.00 0.00 174.74 175.11 3gtm s PHE 81 N -0.24 3.44 0.37 1.40 0.40 -1.26 -4.20 117.98 117.89 3gtm s PHE 81 Ca 0.15 1.41 0.08 0.00 -0.60 0.00 0.00 56.93 57.98 3gtm s PHE 81 Cb -0.13 -2.67 -0.07 0.00 0.51 0.00 0.00 43.02 40.66 3gtm s PHE 81 CO 0.04 0.10 -0.04 0.20 0.70 0.00 0.00 175.22 176.22 3gtm s GLY 82 N -2.06 2.30 0.25 4.36 0.00 -0.95 -2.98 107.32 108.24 3gtm s GLY 82 Ca 0.54 -2.17 0.09 0.00 0.00 0.00 0.00 44.72 43.17 3gtm s GLY 82 CO 0.18 -2.04 -0.14 -2.38 0.00 0.00 0.00 173.10 168.72 3gtm s HIS 83 N -2.72 1.97 -0.22 1.90 -3.43 -1.12 0.14 115.29 111.80 3gtm s HIS 83 Ca 0.34 -0.52 -0.04 0.00 -0.80 0.00 0.00 55.06 54.04 3gtm s HIS 83 Cb 0.06 -0.95 0.07 0.00 -1.43 0.00 0.00 32.58 30.34 3gtm s HIS 83 CO 0.17 0.46 0.08 -1.50 -2.00 0.00 0.00 174.74 171.96 3gtm s ILE 84 N -2.82 0.21 0.17 -5.38 2.07 -0.53 -3.72 121.20 111.20 3gtm s ILE 84 Ca 0.27 -0.56 -0.33 0.00 -1.41 0.00 0.00 60.65 58.61 3gtm s ILE 84 Cb -0.01 -0.93 -0.14 0.00 0.13 0.00 0.00 42.46 41.51 3gtm s ILE 84 CO 0.11 -0.41 1.58 0.47 -1.91 0.00 0.00 174.94 174.78 3gtm n ASP 85 N 5.16 3.18 -4.76 4.50 8.00 -1.26 -3.13 116.55 128.22 3gtm n ASP 85 Ca -0.07 1.09 -0.36 0.00 0.71 0.00 0.00 54.79 56.16 3gtm n ASP 85 Cb 0.46 -1.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.04 3gtm n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gtm s LEU 86 N 0.86 4.02 0.17 0.64 1.43 -1.15 -4.99 118.68 119.66 3gtm s LEU 86 Ca 0.77 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 54.14 3gtm s LEU 86 Cb -0.66 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 43.62 3gtm s LEU 86 CO 0.38 0.34 1.40 0.00 0.23 0.00 0.00 176.35 178.71 3gtm h ALA 87 N 5.45 0.55 -3.86 4.21 0.00 -1.87 -3.45 119.26 120.29 3gtm h ALA 87 Ca -0.49 -0.64 -0.35 0.00 0.00 0.00 0.00 54.91 53.42 3gtm h ALA 87 Cb 1.20 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.64 3gtm h ALA 87 CO 0.60 0.80 -0.76 0.15 0.00 0.00 0.00 179.25 180.04 3gtm s LYS 88 N -3.48 0.53 0.79 0.00 1.02 -1.26 -5.12 119.74 112.21 3gtm s LYS 88 Ca -0.05 -0.19 -0.15 0.00 0.02 0.00 0.00 55.97 55.59 3gtm s LYS 88 Cb 0.10 -0.52 -0.02 0.00 -0.52 0.00 0.00 37.83 36.87 3gtm s LYS 88 CO 0.84 0.09 0.46 -2.30 -0.92 0.00 0.00 175.35 173.53 3gtm n PRO 89 N 3.12 0.13 -4.12 -1.68 -0.02 -1.26 -4.95 135.00 126.22 3gtm n PRO 89 Ca -0.15 0.09 -0.16 0.00 -2.02 0.00 0.00 63.50 61.26 3gtm n PRO 89 Cb 0.57 -1.81 -0.12 0.00 -0.02 0.00 0.00 33.50 32.11 3gtm n PRO 89 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gtm s VAL 90 N -2.04 0.80 -0.01 -1.45 1.01 -0.02 -4.81 120.40 113.87 3gtm s VAL 90 Ca 0.62 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 3gtm s VAL 90 Cb -0.31 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3gtm s VAL 90 CO 0.61 -0.29 0.92 -0.36 0.00 0.00 0.00 175.10 175.98 3gtm s PHE 91 N -1.28 3.65 -0.10 5.22 0.40 -1.26 -0.52 117.98 124.08 3gtm s PHE 91 Ca -0.06 1.60 -0.30 0.00 -0.60 0.00 0.00 56.93 57.58 3gtm s PHE 91 Cb -0.10 -3.04 -0.02 0.00 0.51 0.00 0.00 43.02 40.37 3gtm s PHE 91 CO 0.01 0.03 1.18 -1.58 0.70 0.00 0.00 175.22 175.56 3gtm s HIS 92 N 0.89 3.15 0.24 0.36 5.65 -1.24 -4.71 115.29 119.64 3gtm s HIS 92 Ca 0.48 1.23 -0.12 0.00 0.25 0.00 0.00 55.06 56.90 3gtm s HIS 92 Cb -0.20 -3.40 0.33 0.00 -1.18 0.00 0.00 32.58 28.12 3gtm s HIS 92 CO 0.26 -1.22 1.59 0.28 -0.65 0.00 0.00 174.74 175.00 3gtm h VAL 93 N 5.18 0.17 -0.01 0.89 2.07 -1.86 -0.41 116.25 122.28 3gtm h VAL 93 Ca -0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3gtm h VAL 93 Cb 1.14 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3gtm h VAL 93 CO 0.91 0.00 -0.12 0.61 0.02 0.00 0.00 177.57 178.99 3gtm n GLY 94 N -1.52 -0.31 1.19 2.17 0.00 -1.26 -3.54 105.19 101.92 3gtm n GLY 94 Ca 0.11 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.82 3gtm n GLY 94 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gtm n PHE 95 N -0.24 0.83 -0.10 1.61 0.99 -0.17 -4.49 117.46 115.88 3gtm n PHE 95 Ca 0.16 -0.41 -0.05 0.00 -0.00 0.00 0.00 57.45 57.14 3gtm n PHE 95 Cb 0.35 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.84 3gtm n PHE 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3gtm h ILE 96 N 3.88 0.76 -0.22 4.37 2.04 -1.59 -0.78 117.51 125.98 3gtm h ILE 96 Ca 0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3gtm h ILE 96 Cb 0.88 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3gtm h ILE 96 CO 0.00 0.02 0.11 0.00 0.00 0.00 0.00 178.15 178.29 3gtm h ALA 97 N 1.30 0.28 -0.14 1.87 0.00 -1.89 -1.79 119.26 118.88 3gtm h ALA 97 Ca 0.17 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3gtm h ALA 97 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3gtm h ALA 97 CO -0.27 -0.18 -0.60 0.87 0.00 0.00 0.00 179.25 179.08 3gtm h LYS 98 N 0.23 0.47 -0.62 0.00 1.57 -1.86 0.04 116.57 116.40 3gtm h LYS 98 Ca 0.08 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3gtm h LYS 98 Cb 0.09 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3gtm h LYS 98 CO -0.01 0.93 0.36 0.82 -0.57 0.00 0.00 179.45 180.98 3gtm h ILE 99 N 0.35 1.18 -0.20 1.86 2.04 -0.97 0.70 117.51 122.47 3gtm h ILE 99 Ca -0.00 -0.40 -0.18 0.00 1.00 0.00 0.00 64.86 65.27 3gtm h ILE 99 Cb 1.14 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3gtm h ILE 99 CO 0.11 0.19 -0.57 0.50 0.00 0.00 0.00 178.15 178.37 3gtm h LYS 100 N 0.85 0.74 -0.42 2.37 3.64 -1.12 -2.90 116.57 119.72 3gtm h LYS 100 Ca 0.22 -0.53 -0.09 0.00 -1.27 0.00 0.00 60.65 58.98 3gtm h LYS 100 Cb -0.02 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3gtm h LYS 100 CO -0.04 1.15 -0.10 0.87 -2.27 0.00 0.00 179.45 179.06 3gtm h LYS 101 N 0.46 0.75 -0.09 1.90 1.57 0.05 -1.12 116.57 120.08 3gtm h LYS 101 Ca -0.01 -0.24 -0.17 0.00 -1.87 0.00 0.00 60.65 58.36 3gtm h LYS 101 Cb 1.19 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3gtm h LYS 101 CO 0.12 0.83 -0.67 0.28 -0.57 0.00 0.00 179.45 179.44 3gtm h VAL 102 N 0.68 1.37 -0.42 0.50 2.07 0.30 -1.76 116.25 118.99 3gtm h VAL 102 Ca 0.12 -2.05 -0.13 0.00 0.82 0.00 0.00 66.70 65.46 3gtm h VAL 102 Cb 0.57 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3gtm h VAL 102 CO 0.04 0.62 -0.24 0.00 0.02 0.00 0.00 177.57 178.00 3gtm h GLU 104 N 0.74 0.00 -0.01 0.00 5.08 -1.10 -2.70 114.58 116.59 3gtm h GLU 104 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3gtm h GLU 104 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3gtm h GLU 104 CO 0.07 0.23 -0.18 0.00 -1.00 0.00 0.00 179.01 178.12 3gtm s VAL 106 N -2.40 1.12 -0.01 0.00 1.01 -0.91 -3.53 120.40 115.68 3gtm s VAL 106 Ca 0.28 -1.74 -0.02 0.00 0.00 0.00 0.00 61.98 60.50 3gtm s VAL 106 Cb 0.20 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 3gtm s VAL 106 CO 0.48 -0.55 0.14 0.00 0.00 0.00 0.00 175.10 175.17 3gtm s MET 108 N -1.84 0.42 0.00 0.00 1.00 -1.26 -2.56 119.30 115.06 3gtm s MET 108 Ca 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 55.69 55.59 3gtm s MET 108 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 34.83 32.89 3gtm s MET 108 CO 0.16 -2.57 0.00 0.72 0.00 0.00 0.00 175.02 173.33 3gtm n HIS 109 N -3.89 0.00 0.00 -0.03 8.25 -1.26 -3.84 115.22 114.45 3gtm n HIS 109 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 3gtm n HIS 109 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 3gtm n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtm n GLY 111 N 2.30 -2.82 3.31 0.00 0.00 -1.06 -4.88 105.19 102.04 3gtm n GLY 111 Ca 0.00 0.80 -0.12 0.00 0.00 0.00 0.00 46.02 46.71 3gtm n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtm s LYS 112 N -2.02 0.95 0.34 1.61 2.20 -1.25 -4.27 119.74 117.30 3gtm s LYS 112 Ca 0.12 -0.52 -0.28 0.00 -0.36 0.00 0.00 55.97 54.93 3gtm s LYS 112 Cb -0.03 0.42 -0.12 0.00 -1.51 0.00 0.00 37.83 36.58 3gtm s LYS 112 CO 0.74 -0.34 1.32 1.28 -0.36 0.00 0.00 175.35 177.99 3gtm n LEU 113 N 0.26 3.68 0.23 5.43 4.77 -1.26 -3.19 117.00 126.92 3gtm n LEU 113 Ca -0.18 1.21 0.11 0.00 -0.03 0.00 0.00 56.01 57.12 3gtm n LEU 113 Cb 0.61 -1.50 0.50 0.00 -2.33 0.00 0.00 43.42 40.70 3gtm n LEU 113 CO 0.19 -0.41 0.83 -0.07 -1.33 0.00 0.00 177.39 176.61 3gtm h LEU 114 N 2.66 0.00 -7.41 2.23 3.38 -1.94 -3.42 115.31 110.80 3gtm h LEU 114 Ca -0.47 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.01 3gtm h LEU 114 Cb 1.28 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.64 3gtm h LEU 114 CO 0.63 0.19 -0.77 -0.76 0.09 0.00 0.00 178.44 177.82 3gtm s LEU 115 N -6.73 1.03 0.00 1.67 1.43 -1.26 -4.85 118.68 109.96 3gtm s LEU 115 Ca 0.00 -0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 3gtm s LEU 115 Cb 0.10 -0.60 0.13 0.00 0.03 0.00 0.00 46.19 45.85 3gtm s LEU 115 CO 0.62 -0.24 0.70 0.47 0.23 0.00 0.00 176.35 178.14 3gtm n ASP 116 N 5.06 -0.16 0.08 2.29 9.92 -1.26 -4.93 116.55 127.55 3gtm n ASP 116 Ca -0.09 -1.21 0.11 0.00 -0.53 0.00 0.00 54.79 53.07 3gtm n ASP 116 Cb 0.48 -0.55 0.44 0.00 -0.64 0.00 0.00 41.12 40.85 3gtm n ASP 116 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gtm n GLU 117 N -2.62 0.13 0.26 -1.24 4.71 -1.26 -2.16 120.64 118.46 3gtm n GLU 117 Ca 0.09 0.30 0.11 0.00 -0.01 0.00 0.00 57.16 57.65 3gtm n GLU 117 Cb 0.31 -1.72 0.69 0.00 -1.01 0.00 0.00 31.44 29.71 3gtm n GLU 117 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3gtm h HIS 118 N 0.00 0.00 -3.32 -0.32 3.86 -1.92 -3.37 115.15 110.08 3gtm h HIS 118 Ca 0.00 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.64 3gtm h HIS 118 Cb 0.40 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 3gtm h HIS 118 CO 0.00 0.11 0.36 1.21 0.86 0.00 0.00 177.93 180.47 3gtm s ASN 119 N -6.46 7.06 0.04 2.45 3.84 -0.92 -4.92 114.94 116.04 3gtm s ASN 119 Ca -0.04 1.30 -0.05 0.00 0.21 0.00 0.00 52.86 54.28 3gtm s ASN 119 Cb 0.14 -2.48 -0.29 0.00 -0.55 0.00 0.00 41.25 38.08 3gtm s ASN 119 CO 0.62 -0.34 0.99 -0.08 -2.79 0.00 0.00 177.10 175.50 3gtm h GLU 120 N 7.12 0.29 0.00 0.43 4.81 -1.85 -3.21 114.58 122.16 3gtm h GLU 120 Ca -0.33 -0.49 -0.01 0.00 -0.13 0.00 0.00 59.36 58.39 3gtm h GLU 120 Cb 1.16 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 3gtm h GLU 120 CO 0.81 1.19 -0.05 -0.07 -0.73 0.00 0.00 179.01 180.17 3gtm h LEU 121 N 0.08 0.00 -0.12 1.64 3.38 -1.93 -1.74 115.31 116.62 3gtm h LEU 121 Ca -0.20 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 3gtm h LEU 121 Cb 2.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 3gtm h LEU 121 CO 0.19 0.05 -0.86 -0.03 0.09 0.00 0.00 178.44 177.89 3gtm h MET 122 N 0.00 0.00 -0.16 1.13 4.05 -1.87 -3.27 114.93 114.82 3gtm h MET 122 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3gtm h MET 122 Cb 0.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 3gtm h MET 122 CO 0.01 0.86 0.08 0.00 0.23 0.00 0.00 176.91 178.09 3gtm h ARG 123 N 0.00 0.22 -0.99 0.39 3.08 -1.34 0.14 114.38 115.88 3gtm h ARG 123 Ca -0.01 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.14 3gtm h ARG 123 Cb 1.60 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.53 3gtm h ARG 123 CO 0.11 0.24 0.62 1.96 -1.07 0.00 0.00 179.97 181.83 3gtm h GLN 124 N 0.15 0.92 -0.21 0.04 4.20 -1.63 0.15 115.11 118.73 3gtm h GLN 124 Ca 0.06 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3gtm h GLN 124 Cb 0.08 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3gtm h GLN 124 CO -0.01 0.61 -0.12 0.00 -0.67 0.00 0.00 178.83 178.64 3gtm h ALA 125 N 1.55 0.29 0.00 3.87 0.00 -1.50 -2.98 119.26 120.50 3gtm h ALA 125 Ca 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gtm h ALA 125 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3gtm h ALA 125 CO -0.26 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.42 3gtm n LEU 126 N -4.53 0.00 0.01 0.00 4.77 0.44 -2.51 117.00 115.18 3gtm n LEU 126 Ca -0.05 0.43 -0.08 0.00 -0.03 0.00 0.00 56.01 56.29 3gtm n LEU 126 Cb 0.34 -0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 3gtm n LEU 126 CO 0.40 -0.22 -0.31 0.00 -1.33 0.00 0.00 177.39 175.92 3gtm h ALA 127 N 2.55 0.65 -1.74 -1.18 0.00 -0.60 -3.47 119.26 115.48 3gtm h ALA 127 Ca 0.00 -1.28 -0.68 0.00 0.00 0.00 0.00 54.91 52.95 3gtm h ALA 127 Cb 0.21 0.29 0.03 0.00 0.00 0.00 0.00 17.79 18.32 3gtm h ALA 127 CO 0.00 1.46 0.81 -0.89 0.00 0.00 0.00 179.25 180.63 3gtm n ILE 128 N -3.13 0.25 -0.94 0.00 5.41 -1.04 -4.84 119.36 115.06 3gtm n ILE 128 Ca -0.12 -0.04 -0.18 0.00 1.00 0.00 0.00 62.75 63.41 3gtm n ILE 128 Cb 1.01 -1.27 0.03 0.00 -0.71 0.00 0.00 39.64 38.70 3gtm n ILE 128 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3gtm n LYS 129 N 4.67 1.87 -3.63 0.38 5.02 -1.26 -4.73 118.16 120.47 3gtm n LYS 129 Ca 0.23 -1.66 -0.21 0.00 -2.02 0.00 0.00 58.31 54.65 3gtm n LYS 129 Cb 0.19 -1.67 -0.17 0.00 -0.02 0.00 0.00 35.03 33.37 3gtm n LYS 129 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gtm s ASP 130 N 0.14 1.39 0.64 4.39 2.15 -1.26 -5.02 116.67 119.11 3gtm s ASP 130 Ca 0.34 -0.07 0.37 0.00 0.43 0.00 0.00 52.55 53.62 3gtm s ASP 130 Cb 0.26 -0.01 2.09 0.00 -0.30 0.00 0.00 42.92 44.97 3gtm s ASP 130 CO -0.02 -0.28 2.24 0.77 -0.17 0.00 0.00 175.17 177.71 3gtm h SER 131 N 8.40 0.00 0.06 -0.34 4.64 -1.96 0.19 113.55 124.54 3gtm h SER 131 Ca -0.14 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3gtm h SER 131 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3gtm h SER 131 CO 0.20 0.00 -0.03 0.11 -0.87 0.00 0.00 176.83 176.24 3gtm h LYS 132 N 0.00 -0.08 0.00 4.77 1.57 -1.97 -3.24 116.57 117.62 3gtm h LYS 132 Ca 0.01 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3gtm h LYS 132 Cb 0.18 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3gtm h LYS 132 CO -0.00 -0.05 -0.11 0.87 -0.57 0.00 0.00 179.45 179.59 3gtm h LYS 133 N -0.17 0.00 0.66 3.15 1.57 -1.92 -2.48 116.57 117.38 3gtm h LYS 133 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3gtm h LYS 133 Cb 0.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.38 3gtm h LYS 133 CO 0.01 0.11 -0.32 -0.09 -0.57 0.00 0.00 179.45 178.60 3gtm h ARG 134 N 0.00 -0.86 0.00 3.15 2.43 -0.78 -0.77 114.38 117.55 3gtm h ARG 134 Ca -0.00 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3gtm h ARG 134 Cb 0.56 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3gtm h ARG 134 CO 0.01 -0.53 0.00 0.34 -1.51 0.00 0.00 179.97 178.28 3gtm n PHE 135 N -5.41 0.58 -0.05 2.20 7.35 -1.15 -1.01 117.46 119.97 3gtm n PHE 135 Ca -0.13 0.30 -0.15 0.00 -0.76 0.00 0.00 57.45 56.71 3gtm n PHE 135 Cb 0.37 -0.97 -0.13 0.00 0.35 0.00 0.00 39.48 39.10 3gtm n PHE 135 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3gtm h ALA 136 N 2.03 -0.00 0.00 3.13 0.00 -0.92 -2.80 119.26 120.70 3gtm h ALA 136 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 3gtm h ALA 136 Cb 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3gtm h ALA 136 CO 0.00 0.10 -0.53 0.00 0.00 0.00 0.00 179.25 178.82 3gtm h ALA 137 N -0.01 1.02 -0.57 0.00 0.00 -0.69 -2.96 119.26 116.05 3gtm h ALA 137 Ca -0.04 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 3gtm h ALA 137 Cb 1.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3gtm h ALA 137 CO 0.02 0.66 0.10 0.82 0.00 0.00 0.00 179.25 180.85 3gtm h ILE 138 N 0.00 1.25 0.00 0.00 2.04 -1.18 -2.99 117.51 116.64 3gtm h ILE 138 Ca -0.01 -0.96 -0.10 0.00 1.00 0.00 0.00 64.86 64.79 3gtm h ILE 138 Cb 1.00 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3gtm h ILE 138 CO 0.07 0.35 -0.47 -0.25 0.00 0.00 0.00 178.15 177.85 3gtm h TRP 139 N 0.84 0.00 0.00 1.37 7.01 -1.37 -1.06 115.95 122.74 3gtm h TRP 139 Ca 0.17 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 3gtm h TRP 139 Cb 0.41 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.46 3gtm h TRP 139 CO 0.03 0.47 -0.08 1.15 -2.79 0.00 0.00 178.44 177.22 3gtm h THR 140 N 0.00 0.17 0.02 2.65 2.02 -1.42 -2.45 112.91 113.91 3gtm h THR 140 Ca -0.00 -0.91 -0.32 0.00 0.77 0.00 0.00 66.41 65.94 3gtm h THR 140 Cb 0.92 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 69.07 3gtm h THR 140 CO 0.06 0.08 -1.91 0.18 0.37 0.00 0.00 175.52 174.30 3gtm n LEU 141 N -3.16 1.11 -0.55 2.58 4.77 -1.01 -4.29 117.00 116.45 3gtm n LEU 141 Ca 0.02 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 3gtm n LEU 141 Cb 0.43 -0.04 0.45 0.00 -2.33 0.00 0.00 43.42 41.94 3gtm n LEU 141 CO 0.32 0.51 0.82 0.00 -1.33 0.00 0.00 177.39 177.71 3gtm h LYS 143 N 2.57 0.00 0.09 0.00 2.10 -1.62 -3.35 116.57 116.36 3gtm h LYS 143 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 3gtm h LYS 143 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 3gtm h LYS 143 CO 0.00 0.00 -0.94 1.15 -2.00 0.00 0.00 179.45 177.66 3gtm h THR 144 N 0.00 1.32 -3.92 0.07 2.02 -1.82 -3.47 112.91 107.11 3gtm h THR 144 Ca 0.00 -2.42 -0.54 0.00 0.77 0.00 0.00 66.41 64.22 3gtm h THR 144 Cb 0.94 2.95 0.12 0.00 -1.74 0.00 0.00 68.15 70.42 3gtm h THR 144 CO 0.00 0.65 0.73 0.29 0.37 0.00 0.00 175.52 177.56 3gtm n LYS 145 N -4.17 2.45 -0.78 6.66 4.76 -1.26 -4.93 118.16 120.90 3gtm n LYS 145 Ca -0.19 0.87 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 3gtm n LYS 145 Cb 0.78 -2.64 -0.00 0.00 -1.84 0.00 0.00 35.03 31.33 3gtm n LYS 145 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3gtm n MET 146 N 0.14 0.00 -3.75 1.97 2.81 -1.26 -4.96 117.12 112.06 3gtm n MET 146 Ca 0.03 -1.04 -0.13 0.00 -1.81 0.00 0.00 57.70 54.76 3gtm n MET 146 Cb 0.40 -0.20 -0.13 0.00 -0.71 0.00 0.00 33.22 32.58 3gtm n MET 146 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3gtm s VAL 147 N 0.00 -0.03 -0.51 2.03 1.01 -1.26 -0.16 120.40 121.47 3gtm s VAL 147 Ca 0.08 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 3gtm s VAL 147 Cb 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.16 3gtm s VAL 147 CO -0.04 0.05 1.44 0.00 0.00 0.00 0.00 175.10 176.55 3gtm s GLU 149 N 5.38 3.96 -0.02 0.00 2.02 -1.26 -3.85 118.70 124.93 3gtm s GLU 149 Ca 0.56 1.18 -0.21 0.00 0.02 0.00 0.00 54.97 56.52 3gtm s GLU 149 Cb -0.12 -3.84 -0.14 0.00 0.10 0.00 0.00 34.13 30.14 3gtm s GLU 149 CO 0.28 -1.06 0.94 1.15 0.02 0.00 0.00 175.26 176.58 3gtm h THR 150 N 5.90 0.45 -3.88 3.63 2.02 -1.82 -3.36 112.91 115.85 3gtm h THR 150 Ca -0.24 -0.72 -0.60 0.00 0.77 0.00 0.00 66.41 65.62 3gtm h THR 150 Cb 1.09 0.71 -0.31 0.00 -1.74 0.00 0.00 68.15 67.89 3gtm h THR 150 CO 1.04 0.10 -0.85 -1.81 0.37 0.00 0.00 175.52 174.37 3gtm s ASP 151 N -5.07 2.41 -0.00 4.18 1.01 -1.26 -2.85 116.67 115.08 3gtm s ASP 151 Ca -0.12 -0.40 0.05 0.00 0.71 0.00 0.00 52.55 52.79 3gtm s ASP 151 Cb 0.01 -0.70 -0.01 0.00 1.01 0.00 0.00 42.92 43.22 3gtm s ASP 151 CO 0.42 0.17 -0.17 -0.69 0.21 0.00 0.00 175.17 175.12 3gtm s VAL 152 N 0.03 1.31 0.09 -1.27 1.01 -0.35 -4.94 120.40 116.28 3gtm s VAL 152 Ca -0.05 -0.79 -0.35 0.00 0.00 0.00 0.00 61.98 60.79 3gtm s VAL 152 Cb -0.13 -1.11 -0.18 0.00 0.00 0.00 0.00 36.38 34.97 3gtm s VAL 152 CO 0.03 0.30 1.03 -2.65 0.00 0.00 0.00 175.10 173.81 3gtm n PRO 153 N 2.49 0.46 0.00 2.72 -0.02 -1.26 -0.20 135.00 139.20 3gtm n PRO 153 Ca -0.15 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3gtm n PRO 153 Cb 0.54 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 3gtm n PRO 153 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gtm n SER 154 N 1.86 0.00 -0.92 2.55 3.41 -1.22 -4.68 113.62 114.62 3gtm n SER 154 Ca 0.18 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.88 3gtm n SER 154 Cb 0.17 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.32 3gtm n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gtm n GLU 155 N 0.00 2.51 0.00 4.33 1.02 -1.26 -4.82 120.64 122.42 3gtm n GLU 155 Ca 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 3gtm n GLU 155 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3gtm n GLU 155 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gtm n ASP 156 N 1.04 0.00 -4.22 1.62 8.00 -1.26 -5.13 116.55 116.60 3gtm n ASP 156 Ca 0.16 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.44 3gtm n ASP 156 Cb 0.50 -0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.47 3gtm n ASP 156 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3gtm s ASP 157 N -1.53 2.13 -0.27 -2.24 1.01 -1.26 -5.04 116.67 109.48 3gtm s ASP 157 Ca 0.00 -0.60 -0.02 0.00 0.71 0.00 0.00 52.55 52.64 3gtm s ASP 157 Cb 0.00 -0.12 0.12 0.00 1.01 0.00 0.00 42.92 43.93 3gtm s ASP 157 CO 0.00 0.03 2.26 -2.65 0.21 0.00 0.00 175.17 175.02 3gtm n PRO 158 N 1.39 1.78 0.00 8.23 -0.02 -1.26 -2.79 135.00 142.34 3gtm n PRO 158 Ca -0.19 -1.39 0.00 0.00 -2.02 0.00 0.00 63.50 59.89 3gtm n PRO 158 Cb 0.54 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 3gtm n PRO 158 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3gtm n THR 159 N 0.78 0.00 -4.77 3.45 -1.04 -1.26 -5.09 114.28 106.35 3gtm n THR 159 Ca 0.29 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 62.01 3gtm n THR 159 Cb 0.58 0.95 -0.14 0.00 -1.82 0.00 0.00 70.33 69.90 3gtm n THR 159 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3gtm s GLN 160 N 0.00 1.64 0.00 -2.82 -0.21 -1.12 -5.14 119.66 112.01 3gtm s GLN 160 Ca 0.00 -1.11 0.03 0.00 0.02 0.00 0.00 55.36 54.30 3gtm s GLN 160 Cb 0.00 -1.85 -0.01 0.00 1.00 0.00 0.00 33.01 32.15 3gtm s GLN 160 CO 0.00 0.47 -0.08 -0.51 -2.12 0.00 0.00 175.29 173.05 3gtm s LEU 161 N -1.36 2.05 -0.11 2.90 1.43 -1.26 -3.43 118.68 118.91 3gtm s LEU 161 Ca 0.11 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 3gtm s LEU 161 Cb -0.10 -0.41 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 3gtm s LEU 161 CO 0.03 0.07 0.21 -0.69 0.23 0.00 0.00 176.35 176.20 3gtm s VAL 162 N -0.34 5.37 0.08 -1.59 1.01 0.72 -4.81 120.40 120.84 3gtm s VAL 162 Ca 0.02 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 3gtm s VAL 162 Cb -0.04 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 3gtm s VAL 162 CO -0.00 0.57 0.44 -0.94 0.00 0.00 0.00 175.10 175.17 3gtm s SER 163 N -0.74 6.73 0.00 3.32 1.04 -1.26 -1.21 113.70 121.58 3gtm s SER 163 Ca 0.16 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.50 3gtm s SER 163 Cb -0.13 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.77 3gtm s SER 163 CO 0.05 0.19 0.00 -2.11 0.98 0.00 0.00 173.24 172.35 3gtm n ARG 164 N 1.08 0.00 -1.97 4.02 1.85 -1.13 -4.98 116.66 115.53 3gtm n ARG 164 Ca -0.09 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.48 3gtm n ARG 164 Cb 0.52 0.00 0.13 0.00 -1.05 0.00 0.00 32.46 32.06 3gtm n ARG 164 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3gtm s GLY 165 N -2.71 1.68 0.00 2.89 0.00 -1.25 -5.09 107.32 102.84 3gtm s GLY 165 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3gtm s GLY 165 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.37 3gtm n GLY 166 N -3.44 1.33 3.67 0.20 0.00 -1.26 -4.64 105.19 101.05 3gtm n GLY 166 Ca 0.11 -1.57 -0.45 0.00 0.00 0.00 0.00 46.02 44.12 3gtm n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtm n GLY 168 N 1.90 4.37 3.80 0.00 0.00 -1.25 -4.85 105.19 109.16 3gtm n GLY 168 Ca 0.11 -2.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.18 3gtm n GLY 168 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gtm s ASN 169 N 0.13 5.94 0.59 1.61 0.01 -1.26 -4.57 114.94 117.40 3gtm s ASN 169 Ca 0.30 1.88 -0.16 0.00 -0.71 0.00 0.00 52.86 54.17 3gtm s ASN 169 Cb -0.05 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 3gtm s ASN 169 CO -0.06 -1.06 1.08 -0.89 -1.51 0.00 0.00 177.10 174.66 3gtm s THR 170 N -2.25 3.57 0.07 1.60 2.01 -1.26 -2.44 115.64 116.93 3gtm s THR 170 Ca 0.65 0.79 0.08 0.00 0.31 0.00 0.00 61.69 63.52 3gtm s THR 170 Cb -0.17 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 3gtm s THR 170 CO 0.31 -0.39 -0.18 -1.10 -0.69 0.00 0.00 174.62 172.57 3gtm s GLN 171 N -3.89 1.97 0.52 4.92 -0.21 0.77 -4.92 119.66 118.81 3gtm s GLN 171 Ca 0.66 -1.05 -0.07 0.00 0.02 0.00 0.00 55.36 54.91 3gtm s GLN 171 Cb -0.18 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 3gtm s GLN 171 CO 0.35 0.52 0.86 -1.25 -2.12 0.00 0.00 175.29 173.65 3gtm s PRO 172 N -1.71 3.58 -0.47 2.91 0.04 -1.26 -4.76 135.00 133.34 3gtm s PRO 172 Ca 0.16 0.38 -0.18 0.00 0.04 0.00 0.00 61.00 61.40 3gtm s PRO 172 Cb -0.11 -2.29 0.04 0.00 0.04 0.00 0.00 34.50 32.19 3gtm s PRO 172 CO 0.07 -0.30 0.53 0.99 0.04 0.00 0.00 177.00 178.33 3gtm s THR 173 N -2.84 4.99 -0.22 1.26 2.01 -1.24 -4.82 115.64 114.77 3gtm s THR 173 Ca 0.50 -0.45 -0.22 0.00 0.31 0.00 0.00 61.69 61.83 3gtm s THR 173 Cb -0.10 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 3gtm s THR 173 CO 0.47 -0.62 0.70 -0.63 -0.69 0.00 0.00 174.62 173.84 3gtm s ILE 174 N 2.36 4.95 0.22 1.82 1.01 -1.26 -3.63 121.20 126.67 3gtm s ILE 174 Ca 0.13 1.30 0.10 0.00 0.00 0.00 0.00 60.65 62.19 3gtm s ILE 174 Cb -0.19 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3gtm s ILE 174 CO 0.13 0.03 -0.11 0.00 0.00 0.00 0.00 174.94 174.98 3gtm s ARG 175 N 2.35 1.97 -0.11 2.79 1.70 -0.37 -4.99 118.95 122.29 3gtm s ARG 175 Ca 0.30 -1.45 -0.05 0.00 -0.47 0.00 0.00 55.73 54.07 3gtm s ARG 175 Cb -0.16 -2.04 -0.04 0.00 -0.57 0.00 0.00 34.95 32.15 3gtm s ARG 175 CO 0.09 0.39 0.08 0.21 -1.08 0.00 0.00 175.30 174.99 3gtm s LYS 176 N -3.17 3.31 -0.24 3.89 2.20 -1.26 -2.14 119.74 122.33 3gtm s LYS 176 Ca 0.27 -0.25 -0.06 0.00 -0.36 0.00 0.00 55.97 55.57 3gtm s LYS 176 Cb -0.07 -3.04 0.12 0.00 -1.51 0.00 0.00 37.83 33.32 3gtm s LYS 176 CO 0.16 0.71 0.49 0.34 -0.36 0.00 0.00 175.35 176.68 3gtm s ASP 177 N -0.86 -0.50 1.35 1.43 2.15 -1.20 -5.00 116.67 114.04 3gtm s ASP 177 Ca 0.13 0.99 0.00 0.00 0.43 0.00 0.00 52.55 54.10 3gtm s ASP 177 Cb -0.12 1.62 0.00 0.00 -0.30 0.00 0.00 42.92 44.13 3gtm s ASP 177 CO 0.03 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 3gtm n GLY 178 N 5.40 2.19 0.38 2.66 0.00 -1.26 -2.97 105.19 111.60 3gtm n GLY 178 Ca -0.08 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.86 3gtm n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtm n LEU 179 N 0.00 1.10 -4.48 0.99 4.77 -1.26 -4.88 117.00 113.24 3gtm n LEU 179 Ca 0.00 -2.01 -0.23 0.00 -0.03 0.00 0.00 56.01 53.74 3gtm n LEU 179 Cb 0.00 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 3gtm n LEU 179 CO 0.00 0.50 -0.25 -0.54 -1.33 0.00 0.00 177.39 175.77 3gtm s LYS 180 N -1.28 1.76 -0.17 3.23 1.02 -1.16 -4.85 119.74 118.29 3gtm s LYS 180 Ca 0.16 -2.01 0.01 0.00 0.02 0.00 0.00 55.97 54.15 3gtm s LYS 180 Cb 0.15 -0.84 0.02 0.00 -0.52 0.00 0.00 37.83 36.64 3gtm s LYS 180 CO 0.00 -0.27 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.45 3gtm s LEU 181 N -3.54 2.07 0.02 3.17 1.43 -1.26 -3.24 118.68 117.32 3gtm s LEU 181 Ca 0.31 -0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3gtm s LEU 181 Cb 0.07 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 3gtm s LEU 181 CO 0.15 0.01 0.13 -0.69 0.23 0.00 0.00 176.35 176.17 3gtm s VAL 182 N 1.22 4.99 0.18 -1.59 1.01 -0.91 -1.07 120.40 124.23 3gtm s VAL 182 Ca 0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3gtm s VAL 182 Cb -0.13 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3gtm s VAL 182 CO -0.11 0.28 0.15 -0.83 0.00 0.00 0.00 175.10 174.59 3gtm s GLY 183 N -2.01 1.10 -0.27 4.51 0.00 -1.21 -1.24 107.32 108.20 3gtm s GLY 183 Ca 0.27 -1.46 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 3gtm s GLY 183 CO 0.19 -1.25 0.14 -1.35 0.00 0.00 0.00 173.10 170.82 3gtm s SER 184 N -3.09 3.15 0.33 1.64 1.04 -1.24 -3.80 113.70 111.73 3gtm s SER 184 Ca 0.30 -1.12 -0.28 0.00 0.48 0.00 0.00 55.95 55.33 3gtm s SER 184 Cb 0.06 -0.25 -0.10 0.00 0.10 0.00 0.00 66.02 65.84 3gtm s SER 184 CO 0.07 -0.42 1.20 0.26 0.98 0.00 0.00 173.24 175.33 3gtm s TRP 185 N 2.13 3.25 0.40 5.02 0.51 -1.23 -3.59 118.94 125.43 3gtm s TRP 185 Ca 0.08 1.55 -0.12 0.00 -2.12 0.00 0.00 56.10 55.49 3gtm s TRP 185 Cb -0.16 -3.46 -0.07 0.00 -0.81 0.00 0.00 33.47 28.97 3gtm s TRP 185 CO -0.32 -1.24 0.78 0.21 -0.51 0.00 0.00 176.95 175.88 3gtm s LYS 186 N -1.78 3.85 0.00 4.98 2.47 -1.26 -2.25 119.74 125.75 3gtm s LYS 186 Ca 0.49 0.57 0.00 0.00 -1.56 0.00 0.00 55.97 55.47 3gtm s LYS 186 Cb -0.35 -2.37 0.00 0.00 -1.46 0.00 0.00 37.83 33.65 3gtm s LYS 186 CO 0.45 -0.02 0.00 -0.25 0.16 0.00 0.00 175.35 175.69 3gtm n ASP 195 N -1.12 -1.24 -1.00 1.43 9.92 -1.26 -4.93 116.55 118.35 3gtm n ASP 195 Ca 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 3gtm n ASP 195 Cb 0.54 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 3gtm n ASP 195 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3gtm n GLU 196 N -0.45 -2.68 -1.77 -1.24 2.13 -1.26 -4.96 120.64 110.40 3gtm n GLU 196 Ca 0.00 1.97 -0.42 0.00 0.66 0.00 0.00 57.16 59.37 3gtm n GLU 196 Cb 0.34 -2.12 -0.02 0.00 0.27 0.00 0.00 31.44 29.91 3gtm n GLU 196 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3gtm s PRO 197 N -2.87 4.14 -0.74 5.31 0.04 -1.26 -4.96 135.00 134.66 3gtm s PRO 197 Ca 0.00 2.57 -0.24 0.00 0.04 0.00 0.00 61.00 63.37 3gtm s PRO 197 Cb 0.00 -3.06 0.06 0.00 0.04 0.00 0.00 34.50 31.54 3gtm s PRO 197 CO 0.00 -0.69 1.12 -1.21 0.04 0.00 0.00 177.00 176.27 3gtm s GLU 198 N 0.53 3.22 -0.46 4.56 2.02 -0.95 -4.91 118.70 122.71 3gtm s GLU 198 Ca 0.70 -0.74 -0.23 0.00 0.02 0.00 0.00 54.97 54.71 3gtm s GLU 198 Cb -0.48 -4.37 0.03 0.00 0.10 0.00 0.00 34.13 29.41 3gtm s GLU 198 CO 0.38 -1.96 0.80 -0.51 0.02 0.00 0.00 175.26 173.99 3gtm s LEU 199 N 4.57 4.25 0.03 1.80 1.43 -1.26 -3.52 118.68 125.98 3gtm s LEU 199 Ca 0.29 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 53.12 3gtm s LEU 199 Cb -0.12 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.17 3gtm s LEU 199 CO 0.08 -0.95 0.27 0.00 0.23 0.00 0.00 176.35 175.98 3gtm s ARG 200 N 3.35 0.74 0.22 1.70 1.70 -1.25 -5.07 118.95 120.34 3gtm s ARG 200 Ca 0.30 -0.46 -0.17 0.00 -0.47 0.00 0.00 55.73 54.93 3gtm s ARG 200 Cb -0.12 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.50 3gtm s ARG 200 CO 0.22 -0.22 0.67 0.08 -1.08 0.00 0.00 175.30 174.97 3gtm s VAL 201 N -2.23 4.67 -0.20 4.99 1.01 -1.26 -3.33 120.40 124.05 3gtm s VAL 201 Ca -0.07 1.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.77 3gtm s VAL 201 Cb -0.02 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3gtm s VAL 201 CO -0.02 0.15 0.70 -0.76 0.00 0.00 0.00 175.10 175.18 3gtm s LEU 202 N -2.14 4.13 0.31 3.92 1.43 -0.23 -5.02 118.68 121.08 3gtm s LEU 202 Ca 0.43 0.92 -0.22 0.00 -1.03 0.00 0.00 54.13 54.24 3gtm s LEU 202 Cb -0.15 -3.00 -0.09 0.00 0.03 0.00 0.00 46.19 42.97 3gtm s LEU 202 CO 0.20 -0.35 0.85 -0.94 0.23 0.00 0.00 176.35 176.34 3gtm s SER 203 N 1.24 7.11 0.55 2.29 1.04 -1.26 -4.40 113.70 120.27 3gtm s SER 203 Ca 0.31 1.61 0.32 0.00 0.48 0.00 0.00 55.95 58.67 3gtm s SER 203 Cb -0.16 -2.50 1.59 0.00 0.10 0.00 0.00 66.02 65.06 3gtm s SER 203 CO 0.10 -0.10 2.10 0.74 0.98 0.00 0.00 173.24 177.05 3gtm h THR 204 N 2.45 0.32 -0.05 2.02 2.02 -1.97 -1.15 112.91 116.55 3gtm h THR 204 Ca -0.48 -0.46 -0.19 0.00 0.77 0.00 0.00 66.41 66.05 3gtm h THR 204 Cb 1.19 1.34 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3gtm h THR 204 CO 0.64 0.07 -0.80 -0.33 0.37 0.00 0.00 175.52 175.48 3gtm h GLU 205 N 0.00 0.36 0.10 6.66 5.08 -1.92 -3.14 114.58 121.72 3gtm h GLU 205 Ca -0.00 -0.33 -0.33 0.00 -1.00 0.00 0.00 59.36 57.70 3gtm h GLU 205 Cb 0.34 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3gtm h GLU 205 CO 0.01 0.99 -1.78 1.49 -1.00 0.00 0.00 179.01 178.71 3gtm h GLU 206 N 0.23 0.20 -1.00 2.33 4.81 -1.83 -3.24 114.58 116.09 3gtm h GLU 206 Ca -0.04 -0.35 0.07 0.00 -0.13 0.00 0.00 59.36 58.91 3gtm h GLU 206 Cb 1.39 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.83 3gtm h GLU 206 CO 0.13 1.01 0.64 0.82 -0.73 0.00 0.00 179.01 180.89 3gtm h ILE 207 N 0.06 1.07 -0.15 2.32 1.08 -1.32 -0.78 117.51 119.79 3gtm h ILE 207 Ca -0.34 -0.39 -0.13 0.00 -0.39 0.00 0.00 64.86 63.61 3gtm h ILE 207 Cb 2.03 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 3gtm h ILE 207 CO 0.11 0.21 -0.47 0.25 -0.69 0.00 0.00 178.15 177.56 3gtm h LEU 208 N 1.15 0.40 -1.90 1.44 6.46 -1.68 0.10 115.31 121.28 3gtm h LEU 208 Ca 0.44 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 3gtm h LEU 208 Cb 0.21 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 3gtm h LEU 208 CO -0.18 0.82 -0.12 -1.13 -0.62 0.00 0.00 178.44 177.21 3gtm h ASN 209 N 0.30 0.00 0.48 1.25 -0.73 -1.20 0.16 115.58 115.84 3gtm h ASN 209 Ca 0.02 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.94 3gtm h ASN 209 Cb 0.94 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.49 3gtm h ASN 209 CO 0.08 0.12 -1.71 -0.38 -0.37 0.00 0.00 177.43 175.16 3gtm n ILE 210 N -3.61 1.37 0.14 2.57 5.41 -0.63 -3.71 119.36 120.90 3gtm n ILE 210 Ca -0.02 -0.76 0.05 0.00 1.00 0.00 0.00 62.75 63.03 3gtm n ILE 210 Cb 0.24 -0.81 0.04 0.00 -0.71 0.00 0.00 39.64 38.40 3gtm n ILE 210 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3gtm h PHE 211 N 0.00 0.00 -0.13 1.39 -1.00 -0.42 -3.02 116.94 113.77 3gtm h PHE 211 Ca -0.27 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.36 3gtm h PHE 211 Cb 1.86 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.41 3gtm h PHE 211 CO 0.00 0.34 -0.58 0.87 -1.61 0.00 0.00 178.31 177.33 3gtm h LYS 212 N 0.00 0.40 -0.94 1.51 1.57 -0.87 -3.32 116.57 114.92 3gtm h LYS 212 Ca -0.03 -0.27 -0.24 0.00 -1.87 0.00 0.00 60.65 58.24 3gtm h LYS 212 Cb 1.29 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 3gtm h LYS 212 CO 0.04 0.87 0.31 0.72 -0.57 0.00 0.00 179.45 180.82 3gtm n HIS 213 N -3.92 1.74 -3.88 -1.35 8.25 -1.14 -4.84 115.22 110.07 3gtm n HIS 213 Ca -0.03 -1.12 -0.35 0.00 -0.26 0.00 0.00 57.72 55.96 3gtm n HIS 213 Cb 0.61 -0.60 -0.10 0.00 1.12 0.00 0.00 29.99 31.02 3gtm n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gtm s ILE 214 N -2.02 4.82 0.75 1.59 1.01 -1.23 -4.38 121.20 121.74 3gtm s ILE 214 Ca 0.34 -0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.82 3gtm s ILE 214 Cb 0.28 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 3gtm s ILE 214 CO 0.07 0.41 0.57 -0.24 0.00 0.00 0.00 174.94 175.76 3gtm n SER 215 N 4.00 -1.09 0.15 3.58 2.88 -1.26 -4.70 113.62 117.18 3gtm n SER 215 Ca -0.16 0.56 0.05 0.00 -1.33 0.00 0.00 58.87 57.99 3gtm n SER 215 Cb 0.52 -1.24 0.50 0.00 -0.75 0.00 0.00 64.21 63.24 3gtm n SER 215 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3gtm h VAL 216 N -0.53 1.09 0.00 2.46 2.07 -1.97 0.76 116.25 120.13 3gtm h VAL 216 Ca -0.45 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3gtm h VAL 216 Cb 1.34 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3gtm h VAL 216 CO 0.42 0.11 -0.67 0.11 0.02 0.00 0.00 177.57 177.56 3gtm h LYS 217 N 0.21 0.00 -0.01 1.57 1.57 -2.02 -3.28 116.57 114.61 3gtm h LYS 217 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3gtm h LYS 217 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3gtm h LYS 217 CO 0.00 0.00 -0.06 -0.25 -0.57 0.00 0.00 179.45 178.57 3gtm n ASP 218 N -2.36 0.76 0.00 0.86 8.00 0.18 -2.93 116.55 121.06 3gtm n ASP 218 Ca 0.02 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.49 3gtm n ASP 218 Cb 0.48 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 3gtm n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3gtm n PHE 219 N -0.54 0.00 -0.45 1.24 0.99 -0.73 -4.21 117.46 113.76 3gtm n PHE 219 Ca 0.18 0.00 0.37 0.00 -0.00 0.00 0.00 57.45 58.00 3gtm n PHE 219 Cb 0.27 -0.23 0.66 0.00 -1.00 0.00 0.00 39.48 39.18 3gtm n PHE 219 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3gtm h THR 220 N 0.00 0.20 -0.92 4.37 2.02 -1.66 1.19 112.91 118.10 3gtm h THR 220 Ca 0.00 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 67.21 3gtm h THR 220 Cb 0.00 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 66.42 3gtm h THR 220 CO 0.00 0.02 0.58 0.77 0.37 0.00 0.00 175.52 177.26 3gtm h SER 221 N 0.11 0.92 -3.47 4.18 4.64 -1.74 -3.40 113.55 114.80 3gtm h SER 221 Ca 0.77 0.02 -0.47 0.00 -0.47 0.00 0.00 61.79 61.64 3gtm h SER 221 Cb 2.54 -0.18 0.05 0.00 -0.31 0.00 0.00 62.40 64.50 3gtm h SER 221 CO -0.30 0.58 0.11 -0.76 -0.87 0.00 0.00 176.83 175.59 3gtm s LEU 222 N -10.20 3.37 -0.82 5.97 1.43 0.41 -4.62 118.68 114.22 3gtm s LEU 222 Ca -0.12 0.66 -0.22 0.00 -1.03 0.00 0.00 54.13 53.42 3gtm s LEU 222 Cb 0.19 -3.52 -0.15 0.00 0.03 0.00 0.00 46.19 42.75 3gtm s LEU 222 CO 0.80 -0.92 1.93 0.61 0.23 0.00 0.00 176.35 179.00 3gtm n GLY 223 N -2.44 2.50 3.28 -3.19 0.00 -1.26 -4.83 105.19 99.25 3gtm n GLY 223 Ca 0.03 -1.24 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 3gtm n GLY 223 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gtm s PHE 224 N 5.40 0.72 -0.03 1.61 0.40 -1.26 -4.08 117.98 120.75 3gtm s PHE 224 Ca 0.58 -1.06 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 3gtm s PHE 224 Cb 0.13 -0.28 -0.01 0.00 0.51 0.00 0.00 43.02 43.37 3gtm s PHE 224 CO 0.11 -0.67 -0.20 1.21 0.70 0.00 0.00 175.22 176.37 3gtm s ASN 225 N -3.05 2.37 0.55 1.36 2.47 0.28 -3.82 114.94 115.10 3gtm s ASN 225 Ca 0.25 -0.38 0.24 0.00 0.42 0.00 0.00 52.86 53.40 3gtm s ASN 225 Cb 0.05 -0.42 1.47 0.00 -1.45 0.00 0.00 41.25 40.90 3gtm s ASN 225 CO 0.05 0.22 2.10 -0.08 -3.72 0.00 0.00 177.10 175.66 3gtm h GLU 226 N 5.86 0.00 0.00 0.43 4.81 -1.89 -3.19 114.58 120.60 3gtm h GLU 226 Ca -0.36 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 3gtm h GLU 226 Cb 1.15 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 3gtm h GLU 226 CO 0.48 0.00 -0.95 0.28 -0.73 0.00 0.00 179.01 178.09 3gtm n VAL 227 N -4.22 1.36 -0.01 0.32 0.31 -1.26 -4.86 118.33 109.97 3gtm n VAL 227 Ca 0.02 0.13 -0.10 0.00 -0.01 0.00 0.00 64.34 64.38 3gtm n VAL 227 Cb 0.32 -2.06 -0.14 0.00 -0.91 0.00 0.00 33.84 31.04 3gtm n VAL 227 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3gtm h PHE 228 N -0.70 0.07 -2.68 3.52 0.05 -1.94 -3.45 116.94 111.81 3gtm h PHE 228 Ca -0.09 -0.05 -0.51 0.00 3.82 0.00 0.00 57.97 61.15 3gtm h PHE 228 Cb 0.83 -0.00 -0.39 0.00 2.00 0.00 0.00 35.95 38.39 3gtm h PHE 228 CO -0.26 1.10 -0.77 -1.54 -0.18 0.00 0.00 178.31 176.66 3gtm s SER 229 N -6.25 3.21 -0.16 2.17 1.04 -1.21 -0.88 113.70 111.63 3gtm s SER 229 Ca -0.06 -1.33 -0.07 0.00 0.48 0.00 0.00 55.95 54.97 3gtm s SER 229 Cb 0.08 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 3gtm s SER 229 CO 0.82 -0.42 0.08 -0.13 0.98 0.00 0.00 173.24 174.57 3gtm s ARG 230 N 2.01 3.73 0.22 4.02 0.52 -1.25 -0.56 118.95 127.65 3gtm s ARG 230 Ca 0.10 -0.28 0.11 0.00 -0.52 0.00 0.00 55.73 55.14 3gtm s ARG 230 Cb -0.17 -3.18 0.59 0.00 0.52 0.00 0.00 34.95 32.72 3gtm s ARG 230 CO -0.32 0.46 1.24 -2.30 0.02 0.00 0.00 175.30 174.40 3gtm n PRO 231 N 2.95 0.07 0.13 3.54 -0.02 -1.26 0.69 135.00 141.10 3gtm n PRO 231 Ca -0.18 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 3gtm n PRO 231 Cb 0.53 -1.92 0.14 0.00 -0.02 0.00 0.00 33.50 32.23 3gtm n PRO 231 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3gtm h GLU 232 N 0.00 0.00 -0.60 -0.52 4.11 -1.94 -3.21 114.58 112.42 3gtm h GLU 232 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3gtm h GLU 232 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3gtm h GLU 232 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 179.01 179.99 3gtm n TRP 233 N -2.64 1.00 0.51 2.06 8.01 0.22 -3.37 117.44 123.22 3gtm n TRP 233 Ca 0.03 -0.42 0.13 0.00 -1.31 0.00 0.00 57.50 55.92 3gtm n TRP 233 Cb 0.51 -0.13 0.29 0.00 -2.01 0.00 0.00 31.31 29.96 3gtm n TRP 233 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.69 177.20 3gtm h MET 234 N 3.15 0.00 -5.02 -0.99 2.86 -1.55 -3.44 114.93 109.93 3gtm h MET 234 Ca 0.00 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 56.99 3gtm h MET 234 Cb 1.01 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.45 3gtm h MET 234 CO 0.12 0.00 -0.63 0.42 1.06 0.00 0.00 176.91 177.87 3gtm s ILE 235 N -3.15 4.21 -0.20 -1.22 1.01 -1.22 -3.63 121.20 117.01 3gtm s ILE 235 Ca 0.08 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 3gtm s ILE 235 Cb 0.11 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3gtm s ILE 235 CO 0.65 0.37 1.23 -0.76 0.00 0.00 0.00 174.94 176.43 3gtm s LEU 236 N 1.37 4.13 -0.15 2.97 1.43 0.32 -4.79 118.68 123.95 3gtm s LEU 236 Ca 0.05 1.57 0.01 0.00 -1.03 0.00 0.00 54.13 54.72 3gtm s LEU 236 Cb -0.15 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.44 3gtm s LEU 236 CO 0.03 -0.79 -0.14 0.41 0.23 0.00 0.00 176.35 176.09 3gtm n THR 237 N 5.48 0.88 -4.16 5.49 -1.04 -1.26 -0.84 114.28 118.83 3gtm n THR 237 Ca 0.14 -0.33 -0.26 0.00 -2.04 0.00 0.00 64.05 61.56 3gtm n THR 237 Cb 0.45 -1.09 -0.17 0.00 -1.82 0.00 0.00 70.33 67.71 3gtm n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtm s LEU 239 N 1.31 4.07 0.60 0.00 2.96 -1.19 -4.81 118.68 121.62 3gtm s LEU 239 Ca -0.02 -0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.69 3gtm s LEU 239 Cb -0.14 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 3gtm s LEU 239 CO -0.04 -0.07 1.09 -2.16 -1.32 0.00 0.00 176.35 173.84 3gtm s PRO 240 N 1.77 3.19 -0.16 0.98 0.04 -1.26 -1.45 135.00 138.11 3gtm s PRO 240 Ca 0.07 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.47 3gtm s PRO 240 Cb -0.16 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.40 3gtm s PRO 240 CO 0.11 -0.93 -0.11 0.08 0.04 0.00 0.00 177.00 176.19 3gtm s VAL 241 N -2.25 1.43 0.32 -0.36 1.01 0.38 -4.91 120.40 116.01 3gtm s VAL 241 Ca 0.67 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3gtm s VAL 241 Cb -0.19 -1.44 -0.11 0.00 0.00 0.00 0.00 36.38 34.65 3gtm s VAL 241 CO 0.35 0.32 1.47 -2.16 0.00 0.00 0.00 175.10 175.08 3gtm s PRO 242 N 1.52 4.20 1.15 2.72 0.04 -1.26 -2.24 135.00 141.13 3gtm s PRO 242 Ca 0.03 2.44 -0.19 0.00 0.04 0.00 0.00 61.00 63.32 3gtm s PRO 242 Cb -0.14 -3.03 0.29 0.00 0.04 0.00 0.00 34.50 31.66 3gtm s PRO 242 CO -0.09 -0.46 0.83 -0.35 0.04 0.00 0.00 177.00 176.96 3gtm n PRO 243 N 1.38 -3.69 -0.08 0.56 -0.04 -1.26 -4.88 135.00 126.99 3gtm n PRO 243 Ca 0.04 -1.35 -0.07 0.00 -0.04 0.00 0.00 63.50 62.08 3gtm n PRO 243 Cb 0.39 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3gtm n PRO 243 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3gtm h PRO 244 N 0.00 0.17 0.00 0.54 0.11 -1.87 -2.82 132.00 128.13 3gtm h PRO 244 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3gtm h PRO 244 Cb 1.10 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gtm h PRO 244 CO 0.21 0.11 0.40 -1.35 -0.21 0.00 0.00 178.00 177.17 3gtm h PRO 245 N 0.18 0.00 0.00 1.05 0.11 -1.93 0.64 132.00 132.05 3gtm h PRO 245 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3gtm h PRO 245 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3gtm h PRO 245 CO -0.17 0.00 -1.14 0.28 -0.21 0.00 0.00 178.00 176.76 3gtm n VAL 246 N -2.53 0.18 -2.86 3.15 0.31 -1.06 -4.54 118.33 110.98 3gtm n VAL 246 Ca -0.01 -0.29 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 3gtm n VAL 246 Cb 0.43 0.18 0.05 0.00 -0.91 0.00 0.00 33.84 33.59 3gtm n VAL 246 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3gtm n ARG 247 N -2.04 0.96 -2.50 5.55 1.85 0.19 -5.03 116.66 115.65 3gtm n ARG 247 Ca 0.01 -2.30 -0.39 0.00 -1.00 0.00 0.00 57.85 54.17 3gtm n ARG 247 Cb 0.46 -1.25 -0.04 0.00 -1.05 0.00 0.00 32.46 30.58 3gtm n ARG 247 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3gtm s PRO 248 N -0.36 4.51 1.22 2.89 0.04 0.69 -4.38 135.00 139.59 3gtm s PRO 248 Ca 0.28 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 62.84 3gtm s PRO 248 Cb 0.29 -3.01 0.29 0.00 0.04 0.00 0.00 34.50 32.11 3gtm s PRO 248 CO -0.08 0.12 1.11 -1.54 0.04 0.00 0.00 177.00 176.64 3gtm s SER 249 N -1.08 0.81 -0.38 6.66 1.04 -1.26 -4.14 113.70 115.35 3gtm s SER 249 Ca 0.48 0.62 0.02 0.00 0.48 0.00 0.00 55.95 57.54 3gtm s SER 249 Cb -0.29 -0.85 0.12 0.00 0.10 0.00 0.00 66.02 65.10 3gtm s SER 249 CO 0.37 -4.19 0.16 -0.63 0.98 0.00 0.00 173.24 169.93 3gtm s ILE 250 N -2.99 1.44 -0.09 -1.02 1.01 0.94 -4.92 121.20 115.56 3gtm s ILE 250 Ca 0.71 -2.18 -0.24 0.00 0.00 0.00 0.00 60.65 58.94 3gtm s ILE 250 Cb -0.09 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3gtm s ILE 250 CO 0.56 -0.77 0.76 -0.94 0.00 0.00 0.00 174.94 174.55 3gtm s SER 251 N 0.83 7.00 -0.73 3.58 1.04 -1.26 -3.30 113.70 120.86 3gtm s SER 251 Ca 0.14 1.21 -0.03 0.00 0.48 0.00 0.00 55.95 57.76 3gtm s SER 251 Cb -0.21 -2.44 0.18 0.00 0.10 0.00 0.00 66.02 63.66 3gtm s SER 251 CO -0.10 -0.21 0.57 -0.36 0.98 0.00 0.00 173.24 174.13 3gtm s PHE 252 N 1.20 3.58 0.00 5.02 0.40 -1.05 -5.04 117.98 122.10 3gtm s PHE 252 Ca 0.39 -2.82 0.00 0.00 -0.60 0.00 0.00 56.93 53.90 3gtm s PHE 252 Cb -0.18 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.13 3gtm s PHE 252 CO 0.17 -0.80 0.00 0.09 0.70 0.00 0.00 175.22 175.38 3gtm n ASN 253 N 3.05 0.00 -4.76 1.36 3.02 -1.26 -4.05 115.26 112.62 3gtm n ASN 253 Ca 0.13 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.45 3gtm n ASN 253 Cb 0.38 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 3gtm n ASN 253 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3gtm s GLU 254 N 0.00 2.39 -1.05 3.52 8.01 -1.26 -4.66 118.70 125.65 3gtm s GLU 254 Ca 0.00 -1.57 -0.03 0.00 0.01 0.00 0.00 54.97 53.38 3gtm s GLU 254 Cb 0.00 -2.19 0.02 0.00 -4.31 0.00 0.00 34.13 27.65 3gtm s GLU 254 CO 0.00 0.05 0.15 -1.13 0.01 0.00 0.00 175.26 174.34 3gtm n SER 255 N -1.22 -3.68 -3.31 -0.19 3.41 -1.26 -4.92 113.62 102.45 3gtm n SER 255 Ca -0.02 0.05 -0.07 0.00 -0.26 0.00 0.00 58.87 58.56 3gtm n SER 255 Cb 0.62 -3.11 -0.06 0.00 -0.26 0.00 0.00 64.21 61.39 3gtm n SER 255 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3gtm s GLN 256 N -5.31 0.40 -0.03 4.33 -0.21 -1.26 -5.10 119.66 112.48 3gtm s GLN 256 Ca 0.12 0.43 0.07 0.00 0.02 0.00 0.00 55.36 56.00 3gtm s GLN 256 Cb -0.06 -0.30 -0.01 0.00 1.00 0.00 0.00 33.01 33.64 3gtm s GLN 256 CO 0.14 -0.79 -0.23 1.03 -2.12 0.00 0.00 175.29 173.32 3gtm s ARG 257 N 2.58 2.08 -0.18 2.91 1.81 -1.26 -2.52 118.95 124.38 3gtm s ARG 257 Ca 0.12 -0.83 -0.05 0.00 -1.72 0.00 0.00 55.73 53.26 3gtm s ARG 257 Cb -0.14 -1.90 0.06 0.00 -0.45 0.00 0.00 34.95 32.52 3gtm s ARG 257 CO -0.22 0.44 0.08 0.20 -0.68 0.00 0.00 175.30 175.12 3gtm s GLY 258 N -0.36 0.41 0.28 -3.53 0.00 -1.21 -5.03 107.32 97.88 3gtm s GLY 258 Ca 0.04 -0.38 0.06 0.00 0.00 0.00 0.00 44.72 44.43 3gtm s GLY 258 CO 0.01 1.68 0.39 -0.54 0.00 0.00 0.00 173.10 174.64 3gtm s GLU 259 N 2.09 3.27 0.96 2.90 2.02 -1.26 -0.04 118.70 128.63 3gtm s GLU 259 Ca 0.02 -0.89 -0.12 0.00 0.02 0.00 0.00 54.97 54.00 3gtm s GLU 259 Cb -0.16 -2.83 0.16 0.00 0.10 0.00 0.00 34.13 31.40 3gtm s GLU 259 CO -0.09 0.28 1.09 0.34 0.02 0.00 0.00 175.26 176.90 3gtm s ASP 260 N -4.04 2.90 -0.03 -0.19 -1.08 -1.26 -4.92 116.67 108.05 3gtm s ASP 260 Ca 0.38 1.50 -0.25 0.00 -0.52 0.00 0.00 52.55 53.66 3gtm s ASP 260 Cb -0.09 -2.17 -0.21 0.00 -1.46 0.00 0.00 42.92 38.99 3gtm s ASP 260 CO 0.29 -3.00 1.18 0.44 0.52 0.00 0.00 175.17 174.61 3gtm h ASP 261 N -1.80 0.10 -1.08 -0.34 3.45 -1.94 -3.07 116.42 111.73 3gtm h ASP 261 Ca -0.52 -0.59 0.29 0.00 0.43 0.00 0.00 57.03 56.65 3gtm h ASP 261 Cb 1.30 -0.03 -0.08 0.00 -0.56 0.00 0.00 39.33 39.96 3gtm h ASP 261 CO 0.53 0.67 0.73 -0.07 -1.57 0.00 0.00 179.24 179.53 3gtm h LEU 262 N -0.47 0.29 -0.49 1.55 3.38 -1.93 0.23 115.31 117.87 3gtm h LEU 262 Ca -0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gtm h LEU 262 Cb 0.66 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3gtm h LEU 262 CO 0.01 0.05 0.31 0.74 0.09 0.00 0.00 178.44 179.64 3gtm h THR 263 N 0.25 1.14 -0.34 0.22 2.02 -1.84 -1.55 112.91 112.80 3gtm h THR 263 Ca 0.59 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.46 3gtm h THR 263 Cb 1.78 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 3gtm h THR 263 CO -0.21 0.13 0.05 -0.26 0.37 0.00 0.00 175.52 175.61 3gtm h PHE 264 N 0.65 0.52 -0.30 3.16 -1.00 -0.59 -2.60 116.94 116.78 3gtm h PHE 264 Ca 0.18 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.92 3gtm h PHE 264 Cb -0.05 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.34 3gtm h PHE 264 CO -0.04 0.48 0.20 0.87 -1.61 0.00 0.00 178.31 178.21 3gtm h LYS 265 N 0.50 0.40 0.00 1.51 6.56 -0.61 0.00 116.57 124.93 3gtm h LYS 265 Ca 0.11 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.61 3gtm h LYS 265 Cb 0.25 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 3gtm h LYS 265 CO 0.00 0.27 -0.30 -0.07 -2.06 0.00 0.00 179.45 177.28 3gtm h LEU 266 N 0.41 0.00 0.42 2.94 3.38 -1.12 0.16 115.31 121.50 3gtm h LEU 266 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3gtm h LEU 266 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3gtm h LEU 266 CO -0.02 0.30 -0.20 0.00 0.09 0.00 0.00 178.44 178.61 3gtm h ALA 267 N 1.70 -0.56 -0.41 1.53 0.00 -1.09 -1.02 119.26 119.41 3gtm h ALA 267 Ca -0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3gtm h ALA 267 Cb 0.59 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3gtm h ALA 267 CO 0.04 -0.64 0.27 -0.44 0.00 0.00 0.00 179.25 178.49 3gtm h ASP 268 N -0.92 0.33 0.05 0.00 3.32 -0.62 0.56 116.42 119.15 3gtm h ASP 268 Ca -0.06 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3gtm h ASP 268 Cb 0.56 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3gtm h ASP 268 CO 0.09 0.23 -0.03 0.40 -1.72 0.00 0.00 179.24 178.21 3gtm h ILE 269 N 0.39 1.25 0.00 0.35 2.04 -0.73 -2.46 117.51 118.35 3gtm h ILE 269 Ca 0.17 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 3gtm h ILE 269 Cb 0.20 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3gtm h ILE 269 CO -0.04 0.27 -0.25 0.25 0.00 0.00 0.00 178.15 178.38 3gtm h LEU 270 N -0.58 0.00 -0.42 1.44 5.85 -0.35 0.16 115.31 121.42 3gtm h LEU 270 Ca -0.01 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 3gtm h LEU 270 Cb 0.51 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3gtm h LEU 270 CO 0.01 0.25 -0.68 0.11 -0.34 0.00 0.00 178.44 177.79 3gtm h LYS 271 N 0.00 0.00 0.07 1.25 1.57 0.05 -2.23 116.57 117.28 3gtm h LYS 271 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3gtm h LYS 271 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.89 3gtm h LYS 271 CO 0.03 0.68 -0.44 0.00 -0.57 0.00 0.00 179.45 179.15 3gtm h ALA 272 N 1.32 -0.04 -0.34 3.86 0.00 -0.87 -2.87 119.26 120.32 3gtm h ALA 272 Ca -0.01 -0.60 0.09 0.00 0.00 0.00 0.00 54.91 54.39 3gtm h ALA 272 Cb 1.33 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3gtm h ALA 272 CO 0.09 0.20 0.24 -0.97 0.00 0.00 0.00 179.25 178.82 3gtm h ASN 273 N -0.62 0.05 -0.00 0.00 -1.24 -0.75 -1.29 115.58 111.72 3gtm h ASN 273 Ca -0.08 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.83 3gtm h ASN 273 Cb 1.33 -0.01 0.01 0.00 0.73 0.00 0.00 38.32 40.38 3gtm h ASN 273 CO 0.08 0.03 -0.40 0.40 -1.29 0.00 0.00 177.43 176.26 3gtm h ILE 274 N 0.06 1.50 0.00 2.57 2.04 -1.47 -2.85 117.51 119.34 3gtm h ILE 274 Ca 0.16 -2.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.02 3gtm h ILE 274 Cb 0.57 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3gtm h ILE 274 CO -0.01 0.56 -0.00 0.77 0.00 0.00 0.00 178.15 179.47 3gtm h SER 275 N -0.34 0.00 0.08 1.72 4.64 -1.14 -0.39 113.55 118.13 3gtm h SER 275 Ca -0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3gtm h SER 275 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3gtm h SER 275 CO 0.08 0.00 -0.04 0.25 -0.87 0.00 0.00 176.83 176.25 3gtm h LEU 276 N 0.00 -0.09 0.00 5.97 5.85 -1.22 -3.18 115.31 122.64 3gtm h LEU 276 Ca -0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3gtm h LEU 276 Cb 0.07 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3gtm h LEU 276 CO 0.00 0.54 0.00 1.21 -0.34 0.00 0.00 178.44 179.85 3gtm n GLU 277 N -4.83 0.70 0.06 1.25 2.13 -0.67 -1.23 120.64 118.06 3gtm n GLU 277 Ca -0.08 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.86 3gtm n GLU 277 Cb 0.30 -1.44 0.13 0.00 0.27 0.00 0.00 31.44 30.70 3gtm n GLU 277 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3gtm h THR 278 N 0.00 0.00 0.00 6.31 2.02 -1.08 -3.32 112.91 116.83 3gtm h THR 278 Ca 0.00 -0.54 -0.33 0.00 0.77 0.00 0.00 66.41 66.31 3gtm h THR 278 Cb 0.00 1.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 3gtm h THR 278 CO 0.00 0.00 -2.27 0.18 0.37 0.00 0.00 175.52 173.80 3gtm n LEU 279 N -2.15 0.00 0.13 2.58 4.77 -0.37 -3.86 117.00 118.11 3gtm n LEU 279 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 3gtm n LEU 279 Cb 0.45 0.45 -0.08 0.00 -2.33 0.00 0.00 43.42 41.91 3gtm n LEU 279 CO 0.37 0.45 0.52 -0.33 -1.33 0.00 0.00 177.39 177.08 3gtm h GLU 280 N 0.00 -0.35 -0.06 3.23 5.08 -1.64 -3.12 114.58 117.73 3gtm h GLU 280 Ca -0.49 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3gtm h GLU 280 Cb 2.12 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.45 3gtm h GLU 280 CO 0.03 -0.01 0.00 0.72 -1.00 0.00 0.00 179.01 178.75 3gtm n HIS 281 N -5.08 0.07 -4.14 4.33 8.25 -1.25 -4.81 115.22 112.59 3gtm n HIS 281 Ca -0.09 -0.03 -0.13 0.00 -0.26 0.00 0.00 57.72 57.21 3gtm n HIS 281 Cb 0.26 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 3gtm n HIS 281 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gtm n ASN 282 N -0.37 2.35 -4.57 0.41 3.02 -1.18 -5.04 115.26 109.87 3gtm n ASN 282 Ca 0.16 -1.88 -0.30 0.00 -0.03 0.00 0.00 54.58 52.53 3gtm n ASN 282 Cb 0.18 0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.40 3gtm n ASN 282 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gtm s GLY 283 N -2.28 0.39 0.26 7.41 0.00 -1.26 -4.85 107.32 107.00 3gtm s GLY 283 Ca 0.03 -2.09 -0.29 0.00 0.00 0.00 0.00 44.72 42.37 3gtm s GLY 283 CO 0.02 3.40 0.97 0.00 0.00 0.00 0.00 173.10 177.49 3gtm s ALA 284 N 9.72 3.32 -0.05 3.20 0.00 -1.20 -4.95 121.76 131.80 3gtm s ALA 284 Ca 0.66 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 3gtm s ALA 284 Cb -0.02 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 3gtm s ALA 284 CO 0.08 0.14 2.24 -2.30 0.00 0.00 0.00 175.76 175.91 3gtm n PRO 285 N 1.25 1.28 0.00 0.00 -0.02 -1.26 -4.93 135.00 131.32 3gtm n PRO 285 Ca -0.01 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 3gtm n PRO 285 Cb 0.47 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 3gtm n PRO 285 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gtm n HIS 286 N 1.46 0.00 -1.30 6.00 8.25 -1.26 -1.75 115.22 126.62 3gtm n HIS 286 Ca 0.11 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.61 3gtm n HIS 286 Cb 0.57 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.88 3gtm n HIS 286 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gtm n HIS 287 N 0.00 0.58 0.94 4.41 8.25 -1.26 -4.16 115.22 123.98 3gtm n HIS 287 Ca 0.00 -1.29 0.09 0.00 -0.26 0.00 0.00 57.72 56.27 3gtm n HIS 287 Cb 0.00 -0.32 -0.11 0.00 1.12 0.00 0.00 29.99 30.67 3gtm n HIS 287 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtm n ALA 288 N -1.06 4.58 0.33 -1.41 0.00 -0.71 -4.46 120.51 117.77 3gtm n ALA 288 Ca 0.24 -0.56 -0.16 0.00 0.00 0.00 0.00 53.44 52.96 3gtm n ALA 288 Cb 0.84 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 3gtm n ALA 288 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3gtm h ILE 289 N 0.02 0.29 0.00 0.00 2.04 -1.80 -3.12 117.51 114.94 3gtm h ILE 289 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3gtm h ILE 289 Cb 0.47 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3gtm h ILE 289 CO 0.00 0.03 0.00 -1.84 0.00 0.00 0.00 178.15 176.34 3gtm n GLU 290 N -5.39 0.00 -0.10 2.37 0.28 -1.26 -0.13 120.64 116.41 3gtm n GLU 290 Ca -0.12 0.43 -0.09 0.00 -0.16 0.00 0.00 57.16 57.22 3gtm n GLU 290 Cb 0.36 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.71 3gtm n GLU 290 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3gtm h GLU 291 N 0.00 0.44 -0.01 3.44 5.08 -1.79 -2.35 114.58 119.40 3gtm h GLU 291 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3gtm h GLU 291 Cb 0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3gtm h GLU 291 CO 0.00 0.37 -0.25 0.00 -1.00 0.00 0.00 179.01 178.13 3gtm n ALA 292 N -2.23 3.05 0.08 3.43 0.00 0.81 -3.55 120.51 122.11 3gtm n ALA 292 Ca -0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 52.99 3gtm n ALA 292 Cb 0.08 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 3gtm n ALA 292 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gtm h GLU 293 N 0.81 0.12 0.00 0.00 4.81 -1.12 -2.91 114.58 116.29 3gtm h GLU 293 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3gtm h GLU 293 Cb 0.47 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3gtm h GLU 293 CO 0.00 0.99 0.00 -1.13 -0.73 0.00 0.00 179.01 178.14 3gtm n SER 294 N -3.54 0.74 0.00 1.04 3.41 -0.91 -1.97 113.62 112.40 3gtm n SER 294 Ca -0.03 0.63 -0.17 0.00 -0.26 0.00 0.00 58.87 59.04 3gtm n SER 294 Cb 0.88 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.91 3gtm n SER 294 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3gtm h LEU 295 N 0.00 0.46 -1.71 1.04 5.85 -1.63 -2.34 115.31 116.99 3gtm h LEU 295 Ca 0.00 -0.78 -0.04 0.00 0.84 0.00 0.00 57.88 57.90 3gtm h LEU 295 Cb 0.52 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3gtm h LEU 295 CO 0.00 1.19 -0.18 0.25 -0.34 0.00 0.00 178.44 179.36 3gtm h LEU 296 N -0.21 0.00 -0.53 2.25 5.85 -1.32 -0.39 115.31 120.95 3gtm h LEU 296 Ca -0.07 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.52 3gtm h LEU 296 Cb 1.29 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3gtm h LEU 296 CO 0.11 0.18 -0.63 -0.61 -0.34 0.00 0.00 178.44 177.15 3gtm h GLN 297 N 0.00 0.00 0.16 1.25 5.75 -1.38 -3.01 115.11 117.88 3gtm h GLN 297 Ca -0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3gtm h GLN 297 Cb 0.40 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.95 3gtm h GLN 297 CO 0.02 0.63 -0.08 0.35 -2.65 0.00 0.00 178.83 177.11 3gtm h PHE 298 N 0.00 -0.20 -0.94 3.99 3.57 -0.67 -2.89 116.94 119.80 3gtm h PHE 298 Ca -0.01 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 3gtm h PHE 298 Cb 1.24 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.97 3gtm h PHE 298 CO 0.00 -0.10 0.61 0.45 -2.23 0.00 0.00 178.31 177.04 3gtm h HIS 299 N -1.05 1.05 0.00 0.41 3.86 -1.23 1.11 115.15 119.29 3gtm h HIS 299 Ca -0.02 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 3gtm h HIS 299 Cb 0.19 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3gtm h HIS 299 CO 0.01 0.48 -0.19 0.28 0.86 0.00 0.00 177.93 179.37 3gtm h VAL 300 N 0.97 0.35 0.00 2.45 2.07 -1.69 -1.95 116.25 118.46 3gtm h VAL 300 Ca 0.44 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3gtm h VAL 300 Cb 0.38 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3gtm h VAL 300 CO -0.20 0.19 -0.86 0.00 0.02 0.00 0.00 177.57 176.72 3gtm n ALA 301 N -2.16 2.95 0.35 1.67 0.00 0.50 -3.94 120.51 119.89 3gtm n ALA 301 Ca 0.02 -0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.28 3gtm n ALA 301 Cb 0.56 -1.09 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 3gtm n ALA 301 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3gtm n THR 302 N -2.22 0.15 1.07 0.00 5.66 0.35 -3.33 114.28 115.97 3gtm n THR 302 Ca 0.02 -0.35 0.14 0.00 -3.05 0.00 0.00 64.05 60.81 3gtm n THR 302 Cb 0.47 0.16 0.62 0.00 -1.55 0.00 0.00 70.33 70.03 3gtm n THR 302 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gtm n TYR 303 N -2.11 0.00 -0.05 1.09 9.36 -0.74 -3.98 117.16 120.73 3gtm n TYR 303 Ca -0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.12 3gtm n TYR 303 Cb 0.49 -0.45 -0.04 0.00 -0.63 0.00 0.00 39.34 38.71 3gtm n TYR 303 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3gtm n MET 304 N -1.46 0.21 -4.19 2.98 0.00 -1.26 -3.31 117.12 110.09 3gtm n MET 304 Ca 0.08 0.08 -0.15 0.00 0.00 0.00 0.00 57.70 57.71 3gtm n MET 304 Cb 0.32 -0.94 -0.11 0.00 0.00 0.00 0.00 33.22 32.50 3gtm n MET 304 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3gtm s ASP 305 N -5.62 1.58 0.00 7.83 -1.08 -1.21 -1.65 116.67 116.52 3gtm s ASP 305 Ca -0.13 -0.82 0.00 0.00 -0.52 0.00 0.00 52.55 51.07 3gtm s ASP 305 Cb 0.05 -0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 3gtm s ASP 305 CO 0.18 -0.24 0.00 -3.20 0.52 0.00 0.00 175.17 172.43 3gtm n ASN 306 N 0.51 0.00 -4.07 -0.34 5.15 -1.26 -4.05 115.26 111.20 3gtm n ASN 306 Ca -0.16 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.39 3gtm n ASN 306 Cb 0.58 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.83 3gtm n ASN 306 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3gtm n ASP 307 N 0.00 5.61 -2.34 1.20 10.43 -1.26 -4.83 116.55 125.36 3gtm n ASP 307 Ca 0.00 -3.18 -0.03 0.00 2.57 0.00 0.00 54.79 54.15 3gtm n ASP 307 Cb 0.00 -1.41 0.01 0.00 1.84 0.00 0.00 41.12 41.55 3gtm n ASP 307 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 3gtm n ILE 308 N 2.78 0.00 -0.00 0.53 5.41 -1.26 -5.03 119.36 121.79 3gtm n ILE 308 Ca 0.33 -0.24 -0.17 0.00 1.00 0.00 0.00 62.75 63.67 3gtm n ILE 308 Cb 0.37 -0.76 -0.11 0.00 -0.71 0.00 0.00 39.64 38.42 3gtm n ILE 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtm h ALA 309 N 0.56 0.08 -2.38 -1.39 0.00 -1.97 -3.44 119.26 110.72 3gtm h ALA 309 Ca -0.04 -0.55 -0.54 0.00 0.00 0.00 0.00 54.91 53.78 3gtm h ALA 309 Cb 0.15 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.00 3gtm h ALA 309 CO 0.05 0.32 1.13 0.41 0.00 0.00 0.00 179.25 181.16 3gtm n GLY 310 N 1.04 1.67 0.25 0.00 0.00 -1.26 -4.90 105.19 101.99 3gtm n GLY 310 Ca -0.10 0.76 0.06 0.00 0.00 0.00 0.00 46.02 46.74 3gtm n GLY 310 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gtm h GLN 311 N 9.07 0.07 -6.15 1.61 4.20 -1.98 -3.43 115.11 118.50 3gtm h GLN 311 Ca -0.48 -0.01 -0.64 0.00 0.06 0.00 0.00 58.65 57.58 3gtm h GLN 311 Cb 1.24 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.01 3gtm h GLN 311 CO 0.94 0.14 1.20 -2.30 -0.67 0.00 0.00 178.83 178.15 3gtm n PRO 312 N -4.42 1.74 0.15 1.46 -0.02 -1.26 -4.81 135.00 127.84 3gtm n PRO 312 Ca -0.02 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 3gtm n PRO 312 Cb 0.17 -2.59 0.29 0.00 -0.02 0.00 0.00 33.50 31.35 3gtm n PRO 312 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3gtm h GLN 313 N 10.44 0.00 -4.28 -0.52 1.08 -1.88 -3.48 115.11 116.48 3gtm h GLN 313 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 3gtm h GLN 313 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 3gtm h GLN 313 CO 0.97 0.00 -0.16 0.00 -0.95 0.00 0.00 178.83 178.69 3gtm n ALA 314 N -1.93 -2.61 -2.21 3.87 0.00 -1.26 -4.93 120.51 111.43 3gtm n ALA 314 Ca 0.05 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.58 3gtm n ALA 314 Cb 0.48 -1.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 3gtm n ALA 314 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gtm s LEU 315 N -2.39 3.78 -0.07 0.00 1.43 -1.26 -4.54 118.68 115.63 3gtm s LEU 315 Ca 0.08 1.07 0.01 0.00 -1.03 0.00 0.00 54.13 54.26 3gtm s LEU 315 Cb -0.02 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 3gtm s LEU 315 CO 0.42 -0.44 -0.07 -1.58 0.23 0.00 0.00 176.35 174.91 3gtm s GLN 316 N -4.06 2.77 0.19 1.70 0.74 -0.56 -4.91 119.66 115.53 3gtm s GLN 316 Ca 0.50 -0.56 -0.22 0.00 0.05 0.00 0.00 55.36 55.13 3gtm s GLN 316 Cb -0.10 -2.59 -0.14 0.00 1.10 0.00 0.00 33.01 31.28 3gtm s GLN 316 CO 0.35 0.64 0.37 1.63 -0.55 0.00 0.00 175.29 177.73 3gtm n LYS 317 N 2.29 0.00 -0.27 1.67 5.02 -1.26 -1.65 118.16 123.96 3gtm n LYS 317 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 3gtm n LYS 317 Cb 0.53 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 3gtm n LYS 317 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3gtm n SER 318 N 1.70 -0.50 -2.86 4.39 3.41 -1.26 -4.49 113.62 114.01 3gtm n SER 318 Ca 0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.66 3gtm n SER 318 Cb 0.23 -0.08 0.04 0.00 -0.26 0.00 0.00 64.21 64.14 3gtm n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtm n GLY 319 N -2.17 -0.83 3.06 5.00 0.00 -1.03 -5.02 105.19 104.20 3gtm n GLY 319 Ca 0.00 0.40 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 3gtm n GLY 319 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gtm s ARG 320 N -3.81 2.12 0.54 1.61 3.52 -0.66 -4.95 118.95 117.33 3gtm s ARG 320 Ca 0.27 -1.42 0.34 0.00 -0.13 0.00 0.00 55.73 54.80 3gtm s ARG 320 Cb -0.04 -2.93 1.52 0.00 -1.56 0.00 0.00 34.95 31.95 3gtm s ARG 320 CO 0.59 -0.62 1.84 -1.35 -0.81 0.00 0.00 175.30 174.96 3gtm h PRO 321 N 7.75 0.00 -2.12 5.12 0.11 -1.88 -1.48 132.00 139.51 3gtm h PRO 321 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3gtm h PRO 321 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gtm h PRO 321 CO 0.47 0.00 -0.41 0.28 -0.21 0.00 0.00 178.00 178.12 3gtm n VAL 322 N -4.21 -5.12 -2.70 3.15 0.31 -1.26 -4.66 118.33 103.83 3gtm n VAL 322 Ca 0.22 1.33 -0.42 0.00 -0.01 0.00 0.00 64.34 65.46 3gtm n VAL 322 Cb 1.12 -2.83 -0.03 0.00 -0.91 0.00 0.00 33.84 31.19 3gtm n VAL 322 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3gtm s LYS 323 N -2.57 3.32 0.45 5.55 1.02 -1.26 -4.99 119.74 121.26 3gtm s LYS 323 Ca 0.00 -0.86 -0.24 0.00 0.02 0.00 0.00 55.97 54.89 3gtm s LYS 323 Cb 0.00 -4.58 -0.07 0.00 -0.52 0.00 0.00 37.83 32.66 3gtm s LYS 323 CO 0.00 -2.00 1.24 -1.54 -0.92 0.00 0.00 175.35 172.13 3gtm s SER 324 N 3.98 6.07 0.24 2.83 1.04 -1.26 -4.72 113.70 121.88 3gtm s SER 324 Ca 0.33 2.50 0.12 0.00 0.48 0.00 0.00 55.95 59.38 3gtm s SER 324 Cb -0.08 -2.62 0.82 0.00 0.10 0.00 0.00 66.02 64.24 3gtm s SER 324 CO 0.04 -1.00 1.04 -0.38 0.98 0.00 0.00 173.24 173.92 3gtm n ILE 325 N -0.36 -0.28 0.26 -1.02 5.41 -1.21 -0.77 119.36 121.39 3gtm n ILE 325 Ca 0.07 1.36 -0.18 0.00 1.00 0.00 0.00 62.75 64.99 3gtm n ILE 325 Cb 0.46 -2.17 -0.10 0.00 -0.71 0.00 0.00 39.64 37.12 3gtm n ILE 325 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3gtm h ARG 326 N 0.00 -0.93 -0.43 0.38 2.43 -1.63 -2.16 114.38 112.04 3gtm h ARG 326 Ca 0.53 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.89 3gtm h ARG 326 Cb 1.37 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 31.11 3gtm h ARG 326 CO -0.53 -0.62 0.55 0.00 -1.51 0.00 0.00 179.97 177.86 3gtm h ALA 327 N -0.81 2.12 0.00 2.80 0.00 -1.23 0.49 119.26 122.63 3gtm h ALA 327 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gtm h ALA 327 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gtm h ALA 327 CO -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 179.25 178.37 3gtm h ARG 328 N 0.00 0.00 0.00 0.00 3.08 -1.44 -3.24 114.38 112.78 3gtm h ARG 328 Ca 0.20 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.13 3gtm h ARG 328 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 3gtm h ARG 328 CO -0.00 0.00 -1.55 1.28 -1.07 0.00 0.00 179.97 178.63 3gtm n LEU 329 N -3.07 0.00 -4.66 3.04 4.77 0.17 0.26 117.00 117.50 3gtm n LEU 329 Ca -0.01 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.52 3gtm n LEU 329 Cb 0.20 0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3gtm n LEU 329 CO 0.24 0.17 1.02 1.17 -1.33 0.00 0.00 177.39 178.66 3gtm n LYS 330 N -2.23 1.96 -0.92 3.23 4.81 -1.02 -3.64 118.16 120.36 3gtm n LYS 330 Ca -0.12 0.70 -0.29 0.00 -0.87 0.00 0.00 58.31 57.73 3gtm n LYS 330 Cb 0.68 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.37 3gtm n LYS 330 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gtm n GLY 331 N 2.39 -2.18 1.24 3.14 0.00 -1.26 -3.62 105.19 104.90 3gtm n GLY 331 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3gtm n GLY 331 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gtm n LYS 332 N 1.03 -2.96 0.00 1.61 3.00 -1.26 -4.38 118.16 115.20 3gtm n LYS 332 Ca 0.07 2.27 0.00 0.00 -0.00 0.00 0.00 58.31 60.64 3gtm n LYS 332 Cb 0.32 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.06 3gtm n LYS 332 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3gtm n GLU 333 N 0.71 0.00 -1.60 1.64 -0.58 -1.26 -4.80 120.64 114.75 3gtm n GLU 333 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 3gtm n GLU 333 Cb 0.00 -2.85 0.07 0.00 -0.57 0.00 0.00 31.44 28.09 3gtm n GLU 333 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3gtm s GLY 334 N -0.94 1.64 0.29 0.62 0.00 -1.24 -4.59 107.32 103.11 3gtm s GLY 334 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 44.72 44.65 3gtm s GLY 334 CO 0.00 0.27 1.83 -0.09 0.00 0.00 0.00 173.10 175.11 3gtm h ARG 335 N -0.87 0.90 0.17 2.90 9.65 -0.30 0.19 114.38 127.01 3gtm h ARG 335 Ca -0.45 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.36 3gtm h ARG 335 Cb 1.24 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 3gtm h ARG 335 CO 0.59 0.59 -0.08 0.82 2.80 0.00 0.00 179.97 184.69 3gtm h ILE 336 N 0.93 0.10 0.15 1.20 1.08 -1.81 -2.77 117.51 116.39 3gtm h ILE 336 Ca 0.51 -0.90 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 3gtm h ILE 336 Cb 0.58 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 3gtm h ILE 336 CO -0.28 0.03 -0.07 -0.09 -0.69 0.00 0.00 178.15 177.05 3gtm h ARG 337 N -1.05 -0.20 0.00 2.37 2.43 -1.76 -2.47 114.38 113.70 3gtm h ARG 337 Ca -0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3gtm h ARG 337 Cb 0.22 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3gtm h ARG 337 CO 0.04 0.11 0.00 0.41 -1.51 0.00 0.00 179.97 179.01 3gtm n GLY 338 N 1.03 -1.48 0.00 2.80 0.00 0.59 -2.71 105.19 105.42 3gtm n GLY 338 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3gtm n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gtm n ASN 339 N -1.64 0.10 0.00 1.61 3.02 -0.81 -4.54 115.26 112.99 3gtm n ASN 339 Ca 0.06 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 3gtm n ASN 339 Cb 0.34 0.62 0.00 0.00 -0.61 0.00 0.00 39.78 40.13 3gtm n ASN 339 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3gtm n LEU 340 N -0.62 2.04 0.13 3.41 4.77 -1.05 -4.64 117.00 121.04 3gtm n LEU 340 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 3gtm n LEU 340 Cb 0.01 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 3gtm n LEU 340 CO 0.00 0.33 -0.22 0.24 -1.33 0.00 0.00 177.39 176.41 3gtm h MET 341 N 0.00 0.47 -3.31 3.23 2.86 -1.45 -3.42 114.93 113.31 3gtm h MET 341 Ca 0.00 -0.80 -0.61 0.00 -2.06 0.00 0.00 59.70 56.22 3gtm h MET 341 Cb 0.87 0.30 -0.40 0.00 0.06 0.00 0.00 31.60 32.43 3gtm h MET 341 CO 0.00 1.38 -0.72 0.20 1.06 0.00 0.00 176.91 178.83 3gtm s GLY 342 N -4.66 1.70 0.49 8.32 0.00 -1.10 -5.08 107.32 106.99 3gtm s GLY 342 Ca -0.08 -2.52 -0.07 0.00 0.00 0.00 0.00 44.72 42.05 3gtm s GLY 342 CO 0.93 1.42 0.82 0.54 0.00 0.00 0.00 173.10 176.80 3gtm s LYS 343 N 0.54 3.58 0.52 2.90 1.02 -1.26 -4.11 119.74 122.93 3gtm s LYS 343 Ca 0.15 0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.28 3gtm s LYS 343 Cb -0.23 -2.34 -0.07 0.00 -0.52 0.00 0.00 37.83 34.67 3gtm s LYS 343 CO -0.05 -0.23 1.00 1.03 -0.92 0.00 0.00 175.35 176.18 3gtm s ARG 344 N -4.67 3.84 0.19 1.68 0.52 -1.26 -5.07 118.95 114.18 3gtm s ARG 344 Ca 0.49 1.07 0.05 0.00 -0.52 0.00 0.00 55.73 56.82 3gtm s ARG 344 Cb -0.10 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 3gtm s ARG 344 CO 0.44 -0.36 -0.09 0.14 0.02 0.00 0.00 175.30 175.45 3gtm s VAL 345 N -2.46 1.32 0.73 3.52 -7.23 -1.26 -5.16 120.40 109.86 3gtm s VAL 345 Ca 0.61 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 3gtm s VAL 345 Cb -0.12 -2.04 0.13 0.00 0.56 0.00 0.00 36.38 34.92 3gtm s VAL 345 CO 0.29 -0.60 1.00 -1.81 -0.31 0.00 0.00 175.10 173.67 3gtm s ASP 346 N -3.25 4.32 -1.20 4.85 1.01 -1.26 -4.66 116.67 116.47 3gtm s ASP 346 Ca 0.21 -0.39 -0.19 0.00 0.71 0.00 0.00 52.55 52.89 3gtm s ASP 346 Cb 0.02 0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.99 3gtm s ASP 346 CO 0.05 -1.89 0.70 0.49 0.21 0.00 0.00 175.17 174.73 3gtm n PHE 347 N -2.84 -1.77 -3.95 4.23 3.01 -1.26 -4.83 117.46 110.05 3gtm n PHE 347 Ca 0.15 0.44 -0.08 0.00 1.01 0.00 0.00 57.45 58.97 3gtm n PHE 347 Cb 0.61 -3.38 -0.09 0.00 -0.01 0.00 0.00 39.48 36.61 3gtm n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3gtm s SER 348 N -3.66 0.25 0.27 4.37 1.04 -1.26 -2.11 113.70 112.60 3gtm s SER 348 Ca 0.39 -0.72 -0.16 0.00 0.48 0.00 0.00 55.95 55.94 3gtm s SER 348 Cb -0.15 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.23 3gtm s SER 348 CO 0.89 -0.61 0.58 0.00 0.98 0.00 0.00 173.24 175.07 3gtm s ALA 349 N -3.45 -0.60 -0.29 5.32 0.00 -0.52 -4.97 121.76 117.25 3gtm s ALA 349 Ca 0.02 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 3gtm s ALA 349 Cb 0.04 0.98 0.15 0.00 0.00 0.00 0.00 23.12 24.29 3gtm s ALA 349 CO -0.09 -0.93 1.00 0.50 0.00 0.00 0.00 175.76 176.25 3gtm s ARG 350 N -3.91 0.34 0.16 0.00 3.52 -1.26 -0.97 118.95 116.83 3gtm s ARG 350 Ca 0.18 0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 56.37 3gtm s ARG 350 Cb -0.03 0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.50 3gtm s ARG 350 CO 0.09 -0.08 0.27 0.25 -0.81 0.00 0.00 175.30 175.02 3gtm n THR 351 N 3.87 0.00 -2.16 4.11 -2.24 -1.23 -4.95 114.28 111.67 3gtm n THR 351 Ca -0.17 -0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 60.58 3gtm n THR 351 Cb 0.57 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 3gtm n THR 351 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gtm s VAL 352 N -2.61 3.15 0.05 2.28 1.01 -1.26 -2.57 120.40 120.46 3gtm s VAL 352 Ca 0.10 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 3gtm s VAL 352 Cb -0.01 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 3gtm s VAL 352 CO 0.07 0.11 0.52 0.27 0.00 0.00 0.00 175.10 176.07 3gtm s ILE 353 N 0.53 4.83 0.06 2.22 -4.36 -0.87 -1.47 121.20 122.13 3gtm s ILE 353 Ca 0.61 1.10 0.06 0.00 -0.26 0.00 0.00 60.65 62.15 3gtm s ILE 353 Cb -0.38 -3.84 -0.03 0.00 1.25 0.00 0.00 42.46 39.47 3gtm s ILE 353 CO 0.35 0.56 -0.17 -0.44 0.24 0.00 0.00 174.94 175.48 3gtm s SER 354 N -1.12 2.03 0.38 4.36 0.01 0.69 -4.73 113.70 115.32 3gtm s SER 354 Ca 0.28 -0.56 -0.24 0.00 1.31 0.00 0.00 55.95 56.74 3gtm s SER 354 Cb -0.19 -0.12 -0.10 0.00 0.21 0.00 0.00 66.02 65.83 3gtm s SER 354 CO 0.17 0.04 0.99 -0.83 0.41 0.00 0.00 173.24 174.02 3gtm s GLY 355 N -1.47 2.66 -0.29 3.44 0.00 -1.26 -2.51 107.32 107.88 3gtm s GLY 355 Ca 0.03 0.56 -0.02 0.00 0.00 0.00 0.00 44.72 45.30 3gtm s GLY 355 CO 0.02 0.96 0.23 -0.35 0.00 0.00 0.00 173.10 173.96 3gtm s ASP 356 N -1.75 2.45 0.00 1.64 -1.08 -0.35 -4.86 116.67 112.72 3gtm s ASP 356 Ca 0.57 -1.04 0.00 0.00 -0.52 0.00 0.00 52.55 51.55 3gtm s ASP 356 Cb -0.17 0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.43 3gtm s ASP 356 CO 0.22 -0.40 0.77 -0.81 0.52 0.00 0.00 175.17 175.47 3gtm n PRO 357 N 5.21 1.00 0.00 4.34 -0.04 -1.26 -2.51 135.00 141.74 3gtm n PRO 357 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3gtm n PRO 357 Cb 0.44 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 3gtm n PRO 357 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gtm n ASN 358 N 0.28 0.88 -4.93 3.54 3.02 -1.26 -4.66 115.26 112.13 3gtm n ASN 358 Ca 0.00 -1.31 -0.27 0.00 -0.03 0.00 0.00 54.58 52.96 3gtm n ASN 358 Cb 0.39 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 3gtm n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gtm s LEU 359 N -0.31 4.29 1.09 3.41 1.43 -1.04 -5.11 118.68 122.43 3gtm s LEU 359 Ca 0.00 0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 3gtm s LEU 359 Cb 0.00 -2.87 0.24 0.00 0.03 0.00 0.00 46.19 43.58 3gtm s LEU 359 CO 0.00 0.08 1.13 -1.61 0.23 0.00 0.00 176.35 176.18 3gtm s GLU 360 N -3.06 -0.34 0.06 1.70 0.41 -1.26 -4.84 118.70 111.36 3gtm s GLU 360 Ca 0.34 0.09 -0.35 0.00 -0.41 0.00 0.00 54.97 54.64 3gtm s GLU 360 Cb -0.11 -1.69 -0.20 0.00 -1.78 0.00 0.00 34.13 30.36 3gtm s GLU 360 CO 0.28 -3.16 1.54 1.25 -0.49 0.00 0.00 175.26 174.69 3gtm h LEU 361 N -2.19 -0.96 0.00 1.80 5.85 -1.97 -2.98 115.31 114.87 3gtm h LEU 361 Ca -0.48 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3gtm h LEU 361 Cb 1.30 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.58 3gtm h LEU 361 CO 0.44 -0.67 0.00 -0.90 -0.34 0.00 0.00 178.44 176.98 3gtm n ASP 362 N -5.57 0.00 -4.92 1.25 3.85 -1.26 -4.56 116.55 105.35 3gtm n ASP 362 Ca -0.15 0.16 -0.27 0.00 -0.71 0.00 0.00 54.79 53.82 3gtm n ASP 362 Cb 0.45 -0.28 0.02 0.00 -1.35 0.00 0.00 41.12 39.97 3gtm n ASP 362 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3gtm s GLN 363 N -2.55 3.10 -0.26 0.11 -0.21 -1.13 -0.53 119.66 118.18 3gtm s GLN 363 Ca 0.08 0.04 -0.02 0.00 0.02 0.00 0.00 55.36 55.48 3gtm s GLN 363 Cb 0.06 -2.31 0.15 0.00 1.00 0.00 0.00 33.01 31.91 3gtm s GLN 363 CO 0.12 -0.55 0.43 0.54 -2.12 0.00 0.00 175.29 173.71 3gtm s VAL 364 N -2.91 -0.70 -0.38 1.09 0.11 -1.00 -4.52 120.40 112.09 3gtm s VAL 364 Ca 0.52 -0.08 -0.28 0.00 -2.93 0.00 0.00 61.98 59.21 3gtm s VAL 364 Cb -0.10 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 3gtm s VAL 364 CO 0.45 -0.12 1.99 -0.83 -3.33 0.00 0.00 175.10 173.27 3gtm s GLY 365 N 2.62 0.44 -0.10 6.54 0.00 0.11 -2.63 107.32 114.30 3gtm s GLY 365 Ca 0.14 0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.85 3gtm s GLY 365 CO -0.19 3.54 0.51 0.14 0.00 0.00 0.00 173.10 177.10 3gtm s VAL 366 N 8.39 5.14 0.36 1.40 1.01 -1.11 -1.02 120.40 134.57 3gtm s VAL 366 Ca 0.85 1.03 -0.28 0.00 0.00 0.00 0.00 61.98 63.58 3gtm s VAL 366 Cb -0.22 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 3gtm s VAL 366 CO 0.30 0.34 1.35 -2.65 0.00 0.00 0.00 175.10 174.45 3gtm n PRO 367 N 3.50 2.29 -0.35 2.72 -0.02 -1.26 -0.68 135.00 141.21 3gtm n PRO 367 Ca -0.07 0.80 0.05 0.00 -2.02 0.00 0.00 63.50 62.27 3gtm n PRO 367 Cb 0.52 -2.44 0.23 0.00 -0.02 0.00 0.00 33.50 31.78 3gtm n PRO 367 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3gtm h LYS 368 N 2.65 1.01 0.16 -0.52 3.64 -0.60 -2.10 116.57 120.81 3gtm h LYS 368 Ca -0.48 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 3gtm h LYS 368 Cb 1.27 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 3gtm h LYS 368 CO 0.63 0.67 -0.29 1.03 -2.27 0.00 0.00 179.45 179.22 3gtm h SER 369 N 1.04 -0.82 0.30 4.20 0.87 -1.90 -1.17 113.55 116.07 3gtm h SER 369 Ca 0.46 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 61.09 3gtm h SER 369 Cb 0.35 0.30 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3gtm h SER 369 CO -0.21 -0.39 -0.09 0.40 -0.53 0.00 0.00 176.83 176.01 3gtm h ILE 370 N -0.53 0.53 0.00 2.23 2.04 -1.77 0.18 117.51 120.19 3gtm h ILE 370 Ca 0.02 -0.42 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 3gtm h ILE 370 Cb 0.54 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3gtm h ILE 370 CO -0.14 0.09 -0.52 0.00 0.00 0.00 0.00 178.15 177.58 3gtm h ALA 371 N 1.91 0.72 0.00 1.87 0.00 -1.07 -1.78 119.26 120.92 3gtm h ALA 371 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gtm h ALA 371 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gtm h ALA 371 CO 0.01 0.65 -0.02 0.87 0.00 0.00 0.00 179.25 180.77 3gtm h LYS 372 N 0.00 0.00 0.02 0.00 1.57 0.58 -3.12 116.57 115.62 3gtm h LYS 372 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 3gtm h LYS 372 Cb 1.29 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.56 3gtm h LYS 372 CO 0.07 0.02 -1.96 2.41 -0.57 0.00 0.00 179.45 179.42 3gtm n THR 373 N -3.11 1.57 -1.92 -0.16 -1.04 -0.67 -4.95 114.28 104.00 3gtm n THR 373 Ca 0.02 -0.31 -0.32 0.00 -2.04 0.00 0.00 64.05 61.40 3gtm n THR 373 Cb 0.44 -1.86 0.02 0.00 -1.82 0.00 0.00 70.33 67.11 3gtm n THR 373 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3gtm s LEU 374 N -7.45 3.37 0.05 -4.42 1.43 -0.68 -5.05 118.68 105.93 3gtm s LEU 374 Ca -0.32 1.69 -0.00 0.00 -1.03 0.00 0.00 54.13 54.47 3gtm s LEU 374 Cb 0.09 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 3gtm s LEU 374 CO 0.59 -1.16 -0.04 0.28 0.23 0.00 0.00 176.35 176.25 3gtm s THR 375 N -2.73 0.31 -0.10 5.49 -1.32 -1.26 -3.37 115.64 112.67 3gtm s THR 375 Ca 0.60 -1.60 -0.00 0.00 -1.21 0.00 0.00 61.69 59.48 3gtm s THR 375 Cb -0.14 -1.24 0.02 0.00 -1.51 0.00 0.00 72.50 69.64 3gtm s THR 375 CO 0.43 -0.83 -0.06 -0.47 -2.21 0.00 0.00 174.62 171.48 3gtm s TYR 376 N -3.20 1.27 -1.17 9.09 5.04 0.59 -4.86 117.35 124.11 3gtm s TYR 376 Ca 0.02 -0.57 -0.20 0.00 -2.44 0.00 0.00 57.07 53.88 3gtm s TYR 376 Cb 0.03 -1.10 0.06 0.00 0.35 0.00 0.00 41.96 41.30 3gtm s TYR 376 CO -0.06 -0.44 1.61 -2.14 -1.34 0.00 0.00 175.55 173.18 3gtm s PRO 377 N 1.63 3.81 -0.12 4.97 0.02 -1.26 -1.79 135.00 142.27 3gtm s PRO 377 Ca 0.02 -1.62 -0.22 0.00 0.02 0.00 0.00 61.00 59.20 3gtm s PRO 377 Cb -0.13 -5.45 -0.03 0.00 0.02 0.00 0.00 34.50 28.91 3gtm s PRO 377 CO -0.06 -2.23 0.67 -2.00 -0.33 0.00 0.00 177.00 173.05 3gtm s GLU 378 N 4.53 4.35 -0.03 5.54 2.12 -0.30 -4.83 118.70 130.07 3gtm s GLU 378 Ca 0.50 0.78 -0.30 0.00 0.36 0.00 0.00 54.97 56.31 3gtm s GLU 378 Cb 0.02 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 3gtm s GLU 378 CO -0.00 -0.05 1.14 0.08 -0.54 0.00 0.00 175.26 175.89 3gtm s VAL 379 N 1.22 4.39 0.22 3.70 1.01 -1.26 -1.75 120.40 127.93 3gtm s VAL 379 Ca 0.34 1.70 -0.32 0.00 0.00 0.00 0.00 61.98 63.71 3gtm s VAL 379 Cb -0.17 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.00 3gtm s VAL 379 CO 0.15 0.04 1.68 -0.69 0.00 0.00 0.00 175.10 176.28 3gtm s VAL 380 N 1.80 2.10 0.04 2.92 1.01 0.16 -4.93 120.40 123.50 3gtm s VAL 380 Ca 0.55 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 3gtm s VAL 380 Cb -0.24 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.11 3gtm s VAL 380 CO 0.23 0.01 0.28 -0.89 0.00 0.00 0.00 175.10 174.73 3gtm s THR 381 N 0.93 0.09 -1.13 3.92 2.01 -1.26 -2.28 115.64 117.91 3gtm s THR 381 Ca 0.72 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3gtm s THR 381 Cb -0.49 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.10 3gtm s THR 381 CO 0.35 -0.39 0.74 -0.81 -0.69 0.00 0.00 174.62 173.82 3gtm n PRO 382 N 0.63 0.00 0.11 4.92 -0.04 -1.26 -0.27 135.00 139.09 3gtm n PRO 382 Ca -0.19 0.27 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 3gtm n PRO 382 Cb 0.59 -1.55 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 3gtm n PRO 382 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3gtm h TYR 383 N 0.00 0.00 0.00 0.54 -1.99 -1.97 -3.39 116.97 110.16 3gtm h TYR 383 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3gtm h TYR 383 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 3gtm h TYR 383 CO 0.00 0.70 0.00 0.27 -0.00 0.00 0.00 178.16 179.13 3gtm n ASN 384 N -3.40 0.20 -0.26 3.88 0.23 0.63 -4.82 115.26 111.72 3gtm n ASN 384 Ca 0.00 -0.57 0.08 0.00 -0.53 0.00 0.00 54.58 53.56 3gtm n ASN 384 Cb 0.77 0.27 0.21 0.00 -2.08 0.00 0.00 39.78 38.95 3gtm n ASN 384 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3gtm h ILE 385 N 0.23 0.45 -0.65 1.53 1.08 -1.13 0.33 117.51 119.35 3gtm h ILE 385 Ca 0.00 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 64.44 3gtm h ILE 385 Cb 0.11 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.00 3gtm h ILE 385 CO 0.00 0.05 0.43 0.44 -0.69 0.00 0.00 178.15 178.37 3gtm h ASP 386 N 0.25 0.59 0.00 1.72 3.45 -1.86 -2.07 116.42 118.50 3gtm h ASP 386 Ca 0.45 -0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.85 3gtm h ASP 386 Cb 0.82 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 3gtm h ASP 386 CO -0.56 0.39 -0.53 -0.09 -1.57 0.00 0.00 179.24 176.88 3gtm h ARG 387 N 0.68 0.00 -0.06 3.56 2.43 -1.42 -3.37 114.38 116.20 3gtm h ARG 387 Ca 0.27 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 3gtm h ARG 387 Cb 0.22 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3gtm h ARG 387 CO -0.08 0.40 0.18 -0.07 -1.51 0.00 0.00 179.97 178.88 3gtm h LEU 388 N -1.00 0.00 0.06 3.80 3.38 -0.38 -1.15 115.31 120.02 3gtm h LEU 388 Ca -0.09 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 3gtm h LEU 388 Cb 0.68 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.44 3gtm h LEU 388 CO -0.06 0.00 -0.70 0.74 0.09 0.00 0.00 178.44 178.51 3gtm h THR 389 N 0.00 1.45 0.00 0.22 2.02 -1.57 -2.57 112.91 112.47 3gtm h THR 389 Ca 0.03 -2.26 -0.03 0.00 0.77 0.00 0.00 66.41 64.92 3gtm h THR 389 Cb 0.38 2.83 -0.00 0.00 -1.74 0.00 0.00 68.15 69.62 3gtm h THR 389 CO -0.00 0.65 -0.12 -0.61 0.37 0.00 0.00 175.52 175.81 3gtm h GLN 390 N -0.19 0.00 0.50 6.66 5.75 -1.39 -0.94 115.11 125.50 3gtm h GLN 390 Ca -0.10 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.37 3gtm h GLN 390 Cb 1.46 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.01 3gtm h GLN 390 CO 0.14 0.12 -0.24 -0.07 -2.65 0.00 0.00 178.83 176.13 3gtm h LEU 391 N 0.00 -0.57 -1.15 -2.39 3.38 -1.36 -2.11 115.31 111.11 3gtm h LEU 391 Ca -0.00 -0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.09 3gtm h LEU 391 Cb 0.36 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 3gtm h LEU 391 CO 0.02 -0.19 0.61 0.58 0.09 0.00 0.00 178.44 179.55 3gtm h VAL 392 N -1.03 0.72 -0.50 1.22 2.07 -1.11 -0.28 116.25 117.35 3gtm h VAL 392 Ca -0.07 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3gtm h VAL 392 Cb 0.60 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3gtm h VAL 392 CO 0.11 0.13 0.27 0.03 0.02 0.00 0.00 177.57 178.13 3gtm h ARG 393 N 0.69 0.71 0.00 1.57 3.08 -1.15 -2.49 114.38 116.80 3gtm h ARG 393 Ca 0.54 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3gtm h ARG 393 Cb 0.93 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3gtm h ARG 393 CO -0.31 0.56 0.00 0.09 -1.07 0.00 0.00 179.97 179.24 3gtm n ASN 394 N -4.64 0.51 -0.94 7.04 3.02 -0.13 -4.90 115.26 115.21 3gtm n ASN 394 Ca 0.02 0.68 0.13 0.00 -0.03 0.00 0.00 54.58 55.37 3gtm n ASN 394 Cb 0.09 -0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 38.46 3gtm n ASN 394 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gtm n GLY 395 N -0.68 -1.91 2.05 7.41 0.00 -0.94 -4.14 105.19 106.98 3gtm n GLY 395 Ca 0.01 -1.27 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 3gtm n GLY 395 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gtm n PRO 396 N -3.30 1.92 0.02 1.61 -0.02 -0.89 -3.67 135.00 130.68 3gtm n PRO 396 Ca -0.00 -1.38 0.00 0.00 -2.02 0.00 0.00 63.50 60.09 3gtm n PRO 396 Cb 0.43 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3gtm n PRO 396 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gtm n ASN 397 N 1.38 0.06 -4.80 2.55 4.13 -1.26 -5.03 115.26 112.29 3gtm n ASN 397 Ca 0.35 0.07 -0.31 0.00 1.68 0.00 0.00 54.58 56.37 3gtm n ASN 397 Cb 0.66 0.02 0.07 0.00 -1.54 0.00 0.00 39.78 38.99 3gtm n ASN 397 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3gtm s GLU 398 N -2.00 2.64 0.02 3.52 2.02 -1.26 -5.02 118.70 118.63 3gtm s GLU 398 Ca 0.00 0.98 -0.14 0.00 0.02 0.00 0.00 54.97 55.83 3gtm s GLU 398 Cb 0.00 -1.96 -0.08 0.00 0.10 0.00 0.00 34.13 32.20 3gtm s GLU 398 CO 0.00 -1.31 1.11 1.25 0.02 0.00 0.00 175.26 176.33 3gtm h HIS 399 N -0.88 -0.46 -1.80 1.61 -0.00 -1.94 -3.38 115.15 108.30 3gtm h HIS 399 Ca -0.44 -0.01 -0.47 0.00 -0.00 0.00 0.00 60.37 59.44 3gtm h HIS 399 Cb 1.22 0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 28.74 3gtm h HIS 399 CO 0.59 -0.29 1.23 -2.14 -0.00 0.00 0.00 177.93 177.32 3gtm s PRO 400 N -3.91 2.70 0.00 5.26 0.02 -1.26 -4.76 135.00 133.05 3gtm s PRO 400 Ca -0.07 0.33 0.00 0.00 0.02 0.00 0.00 61.00 61.28 3gtm s PRO 400 Cb 0.01 -4.49 0.00 0.00 0.02 0.00 0.00 34.50 30.03 3gtm s PRO 400 CO 0.22 -2.76 0.00 0.41 -0.33 0.00 0.00 177.00 174.54 3gtm n GLY 401 N 5.87 2.17 3.53 0.52 0.00 -1.26 -4.68 105.19 111.34 3gtm n GLY 401 Ca 0.22 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 3gtm n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtm s ALA 402 N -1.00 -0.07 -0.01 4.61 0.00 -1.24 -0.34 121.76 123.70 3gtm s ALA 402 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3gtm s ALA 402 Cb 0.00 1.09 0.03 0.00 0.00 0.00 0.00 23.12 24.24 3gtm s ALA 402 CO 0.00 -0.81 0.78 0.36 0.00 0.00 0.00 175.76 176.09 3gtm n LYS 403 N -0.36 0.92 -3.56 0.00 2.85 -0.32 -2.09 118.16 115.60 3gtm n LYS 403 Ca -0.02 -1.05 -0.13 0.00 -1.05 0.00 0.00 58.31 56.06 3gtm n LYS 403 Cb 0.62 -0.73 -0.06 0.00 -0.65 0.00 0.00 35.03 34.22 3gtm n LYS 403 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3gtm s TYR 404 N -0.54 -0.51 -0.08 5.58 1.51 -1.21 -3.72 117.35 118.38 3gtm s TYR 404 Ca 0.03 0.93 -0.02 0.00 -1.01 0.00 0.00 57.07 57.01 3gtm s TYR 404 Cb 0.03 0.42 0.03 0.00 -0.11 0.00 0.00 41.96 42.33 3gtm s TYR 404 CO 0.00 -0.44 0.01 0.08 -1.11 0.00 0.00 175.55 174.09 3gtm s VAL 405 N -0.96 0.37 -0.41 0.71 1.01 -0.72 -1.06 120.40 119.34 3gtm s VAL 405 Ca -0.05 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 3gtm s VAL 405 Cb -0.01 -0.57 0.11 0.00 0.00 0.00 0.00 36.38 35.92 3gtm s VAL 405 CO 0.04 0.21 0.21 0.27 0.00 0.00 0.00 175.10 175.84 3gtm s ILE 406 N 1.97 3.34 0.96 2.22 -4.36 -0.74 -0.48 121.20 124.12 3gtm s ILE 406 Ca 0.04 -2.05 -0.11 0.00 -0.26 0.00 0.00 60.65 58.27 3gtm s ILE 406 Cb -0.13 -3.29 0.14 0.00 1.25 0.00 0.00 42.46 40.44 3gtm s ILE 406 CO -0.05 -0.70 0.96 0.54 0.24 0.00 0.00 174.94 175.92 3gtm n ARG 407 N 4.60 -0.72 0.00 0.37 1.74 -1.25 -2.87 116.66 118.52 3gtm n ARG 407 Ca -0.02 -0.15 0.08 0.00 -0.77 0.00 0.00 57.85 56.98 3gtm n ARG 407 Cb 0.41 -2.23 0.49 0.00 -1.02 0.00 0.00 32.46 30.11 3gtm n ARG 407 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3gtm n ASP 408 N -3.72 0.00 0.05 0.55 5.75 -1.26 -3.55 116.55 114.37 3gtm n ASP 408 Ca 0.10 -0.47 -0.12 0.00 -0.01 0.00 0.00 54.79 54.29 3gtm n ASP 408 Cb 0.53 -0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 40.51 3gtm n ASP 408 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3gtm h SER 409 N 0.00 -0.17 0.00 -1.12 4.64 -2.00 -3.48 113.55 111.41 3gtm h SER 409 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3gtm h SER 409 Cb 0.01 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3gtm h SER 409 CO 0.00 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 3gtm n GLY 410 N 0.44 0.04 3.65 -0.77 0.00 -1.23 -5.16 105.19 102.16 3gtm n GLY 410 Ca -0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 3gtm n GLY 410 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gtm s ASP 411 N 0.00 -0.13 0.47 1.61 2.15 -1.26 -5.10 116.67 114.40 3gtm s ASP 411 Ca 0.00 0.25 -0.07 0.00 0.43 0.00 0.00 52.55 53.16 3gtm s ASP 411 Cb 0.00 0.45 -0.04 0.00 -0.30 0.00 0.00 42.92 43.03 3gtm s ASP 411 CO 0.00 -0.04 0.80 -0.13 -0.17 0.00 0.00 175.17 175.63 3gtm s ARG 412 N 0.33 3.59 -0.25 4.34 0.52 -1.26 -3.80 118.95 122.42 3gtm s ARG 412 Ca 0.03 0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 55.52 3gtm s ARG 412 Cb -0.04 -2.36 0.03 0.00 0.52 0.00 0.00 34.95 33.10 3gtm s ARG 412 CO -0.13 -0.19 -0.07 0.42 0.02 0.00 0.00 175.30 175.34 3gtm s ILE 413 N -2.69 2.70 -0.53 1.52 1.01 0.37 -4.97 121.20 118.61 3gtm s ILE 413 Ca 0.49 -1.15 -0.23 0.00 0.00 0.00 0.00 60.65 59.76 3gtm s ILE 413 Cb -0.10 -2.40 0.04 0.00 0.01 0.00 0.00 42.46 40.00 3gtm s ILE 413 CO 0.43 0.16 0.86 -0.62 0.00 0.00 0.00 174.94 175.77 3gtm s ASP 414 N 1.28 6.33 0.45 3.58 -1.08 -1.26 -1.75 116.67 124.21 3gtm s ASP 414 Ca -0.01 -0.43 0.17 0.00 -0.52 0.00 0.00 52.55 51.76 3gtm s ASP 414 Cb -0.17 -2.40 1.06 0.00 -1.46 0.00 0.00 42.92 39.95 3gtm s ASP 414 CO -0.05 -1.13 1.98 -0.07 0.52 0.00 0.00 175.17 176.42 3gtm h LEU 415 N 10.63 0.00 -1.26 -1.34 3.38 -1.92 -1.76 115.31 123.05 3gtm h LEU 415 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3gtm h LEU 415 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3gtm h LEU 415 CO 1.05 0.20 0.00 0.08 0.09 0.00 0.00 178.44 179.86 3gtm h ARG 416 N 0.00 0.00 0.00 1.13 0.11 -1.91 -3.43 114.38 110.28 3gtm h ARG 416 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3gtm h ARG 416 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 3gtm h ARG 416 CO 0.03 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.76 3gtm n TYR 417 N -2.78 0.00 -2.03 4.08 0.53 -0.67 -5.11 117.16 111.18 3gtm n TYR 417 Ca 0.01 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.88 3gtm n TYR 417 Cb 0.27 0.00 -0.00 0.00 -1.03 0.00 0.00 39.34 38.57 3gtm n TYR 417 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3gtm n SER 418 N 0.00 -6.67 0.27 7.72 2.88 -1.20 -4.57 113.62 112.05 3gtm n SER 418 Ca 0.00 1.33 0.11 0.00 -1.33 0.00 0.00 58.87 58.97 3gtm n SER 418 Cb 0.00 -4.11 0.57 0.00 -0.75 0.00 0.00 64.21 59.92 3gtm n SER 418 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3gtm h LYS 419 N 3.12 0.00 -1.34 -1.46 2.10 -1.96 -2.61 116.57 114.42 3gtm h LYS 419 Ca -0.06 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.96 3gtm h LYS 419 Cb 0.13 0.00 -0.37 0.00 -0.90 0.00 0.00 32.23 31.09 3gtm h LYS 419 CO 0.00 0.00 -0.14 0.54 -2.00 0.00 0.00 179.45 177.85 3gtm n ARG 420 N -2.54 3.23 0.11 0.07 1.74 -1.26 -4.57 116.66 113.43 3gtm n ARG 420 Ca -0.01 -4.03 -0.17 0.00 -0.77 0.00 0.00 57.85 52.86 3gtm n ARG 420 Cb 0.42 -2.27 -0.14 0.00 -1.02 0.00 0.00 32.46 29.45 3gtm n ARG 420 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gtm h ALA 421 N 2.48 0.07 0.03 7.54 0.00 -1.71 -3.29 119.26 124.37 3gtm h ALA 421 Ca 0.42 -0.89 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 3gtm h ALA 421 Cb 0.88 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3gtm h ALA 421 CO 1.06 0.94 -1.02 0.78 0.00 0.00 0.00 179.25 181.01 3gtm h GLY 422 N 1.42 0.08 0.00 0.00 0.00 -1.87 -3.43 103.07 99.28 3gtm h GLY 422 Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3gtm h GLY 422 CO 0.21 0.17 0.00 1.34 0.00 0.00 0.00 176.54 178.26 3gtm n ASP 423 N -3.44 0.00 -2.30 0.19 2.03 -1.25 -5.01 116.55 106.77 3gtm n ASP 423 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 3gtm n ASP 423 Cb 0.93 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.33 3gtm n ASP 423 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3gtm n ILE 424 N 0.00-12.17 -3.63 5.18 5.41 -1.24 -4.98 119.36 107.93 3gtm n ILE 424 Ca 0.00 2.90 -0.36 0.00 1.00 0.00 0.00 62.75 66.29 3gtm n ILE 424 Cb 0.00 -5.58 -0.09 0.00 -0.71 0.00 0.00 39.64 33.27 3gtm n ILE 424 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3gtm s GLN 425 N -0.53 4.11 0.53 0.38 -1.52 -1.26 -5.08 119.66 116.29 3gtm s GLN 425 Ca 0.00 -0.19 -0.14 0.00 -1.95 0.00 0.00 55.36 53.09 3gtm s GLN 425 Cb 0.00 -3.51 -0.06 0.00 -0.22 0.00 0.00 33.01 29.21 3gtm s GLN 425 CO 0.00 0.10 0.97 -0.51 -0.25 0.00 0.00 175.29 175.59 3gtm s LEU 426 N 0.95 3.52 0.11 2.90 1.43 -1.26 -5.09 118.68 121.24 3gtm s LEU 426 Ca 0.09 1.45 0.05 0.00 -1.03 0.00 0.00 54.13 54.69 3gtm s LEU 426 Cb -0.13 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 3gtm s LEU 426 CO 0.04 -0.65 -0.12 -1.10 0.23 0.00 0.00 176.35 174.74 3gtm s GLN 427 N -4.42 0.92 -0.76 1.70 -0.21 -1.26 -5.07 119.66 110.56 3gtm s GLN 427 Ca 0.56 -1.18 -0.25 0.00 0.02 0.00 0.00 55.36 54.51 3gtm s GLN 427 Cb -0.10 -0.71 -0.06 0.00 1.00 0.00 0.00 33.01 33.14 3gtm s GLN 427 CO 0.39 0.13 2.07 0.71 -2.12 0.00 0.00 175.29 176.47 3gtm s TYR 428 N -2.23 1.55 0.00 0.91 1.51 -1.26 -2.40 117.35 115.42 3gtm s TYR 428 Ca 0.06 1.05 0.00 0.00 -1.01 0.00 0.00 57.07 57.18 3gtm s TYR 428 Cb -0.04 -3.88 0.00 0.00 -0.11 0.00 0.00 41.96 37.93 3gtm s TYR 428 CO 0.01 -1.95 0.00 0.41 -1.11 0.00 0.00 175.55 172.92 3gtm n GLY 429 N 6.45 0.22 3.87 0.71 0.00 -0.97 -5.00 105.19 110.47 3gtm n GLY 429 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 3gtm n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gtm s TRP 430 N -0.61 3.56 -0.35 1.61 0.51 -1.01 -4.68 118.94 117.97 3gtm s TRP 430 Ca 0.00 1.19 -0.13 0.00 -2.12 0.00 0.00 56.10 55.04 3gtm s TRP 430 Cb 0.00 -2.61 -0.01 0.00 -0.81 0.00 0.00 33.47 30.04 3gtm s TRP 430 CO 0.00 -0.46 0.24 0.15 -0.51 0.00 0.00 176.95 176.37 3gtm s LYS 431 N -4.68 3.41 -0.06 4.98 1.02 -1.14 0.40 119.74 123.67 3gtm s LYS 431 Ca 0.54 -0.71 -0.25 0.00 0.02 0.00 0.00 55.97 55.57 3gtm s LYS 431 Cb -0.11 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.36 3gtm s LYS 431 CO 0.44 -0.49 0.75 0.08 -0.92 0.00 0.00 175.35 175.22 3gtm s VAL 432 N 1.71 5.01 -0.77 3.17 1.01 -0.72 -1.79 120.40 128.02 3gtm s VAL 432 Ca 0.06 1.56 -0.16 0.00 0.00 0.00 0.00 61.98 63.44 3gtm s VAL 432 Cb -0.18 -4.09 0.18 0.00 0.00 0.00 0.00 36.38 32.29 3gtm s VAL 432 CO 0.10 0.23 0.78 -1.61 0.00 0.00 0.00 175.10 174.60 3gtm s GLU 433 N 0.88 3.43 0.52 2.72 2.02 -0.22 -1.15 118.70 126.90 3gtm s GLU 433 Ca 0.40 -2.08 0.02 0.00 0.02 0.00 0.00 54.97 53.33 3gtm s GLU 433 Cb -0.18 -4.47 0.03 0.00 0.10 0.00 0.00 34.13 29.61 3gtm s GLU 433 CO 0.20 -1.41 0.74 -0.98 0.02 0.00 0.00 175.26 173.82 3gtm s ARG 434 N 1.14 2.63 0.81 1.61 1.70 -0.74 -1.17 118.95 124.94 3gtm s ARG 434 Ca 0.17 -0.81 -0.10 0.00 -0.47 0.00 0.00 55.73 54.52 3gtm s ARG 434 Cb -0.14 -2.53 0.08 0.00 -0.57 0.00 0.00 34.95 31.79 3gtm s ARG 434 CO -0.05 -0.61 1.10 -1.01 -1.08 0.00 0.00 175.30 173.65 3gtm s HIS 435 N -2.69 2.34 0.29 5.89 3.76 0.53 -0.30 115.29 125.12 3gtm s HIS 435 Ca 0.56 1.61 -0.30 0.00 -0.15 0.00 0.00 55.06 56.78 3gtm s HIS 435 Cb -0.10 -3.12 -0.10 0.00 1.11 0.00 0.00 32.58 30.36 3gtm s HIS 435 CO 0.38 -2.05 1.45 0.42 -0.85 0.00 0.00 174.74 174.09 3gtm s ILE 436 N -2.84 2.48 0.37 0.60 -1.09 -1.18 -4.46 121.20 115.07 3gtm s ILE 436 Ca 0.63 0.42 0.07 0.00 -2.23 0.00 0.00 60.65 59.54 3gtm s ILE 436 Cb -0.18 -3.27 -0.07 0.00 -1.58 0.00 0.00 42.46 37.35 3gtm s ILE 436 CO 0.57 0.08 -0.00 -0.04 -1.23 0.00 0.00 174.94 174.31 3gtm s MET 437 N -0.87 1.83 0.17 2.79 -1.94 -1.26 -4.89 119.30 115.14 3gtm s MET 437 Ca 0.57 -2.01 -0.33 0.00 -1.71 0.00 0.00 55.69 52.21 3gtm s MET 437 Cb -0.43 -1.44 -0.14 0.00 2.01 0.00 0.00 34.83 34.82 3gtm s MET 437 CO 0.48 -0.04 1.45 -0.25 -0.01 0.00 0.00 175.02 176.65 3gtm n ASP 438 N -0.84 2.57 -2.06 3.03 9.92 -1.26 -2.71 116.55 125.20 3gtm n ASP 438 Ca -0.04 1.11 -0.12 0.00 -0.53 0.00 0.00 54.79 55.21 3gtm n ASP 438 Cb 0.66 -1.36 0.04 0.00 -0.64 0.00 0.00 41.12 39.82 3gtm n ASP 438 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3gtm n ASN 439 N 2.75 -3.93 -4.96 -2.24 3.02 0.65 -4.97 115.26 105.58 3gtm n ASN 439 Ca 0.15 -0.27 -0.23 0.00 -0.03 0.00 0.00 54.58 54.20 3gtm n ASN 439 Cb 0.27 -2.76 -0.02 0.00 -0.61 0.00 0.00 39.78 36.66 3gtm n ASN 439 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gtm s ASP 440 N -3.22 6.33 -0.10 6.41 1.01 -1.10 -4.89 116.67 121.10 3gtm s ASP 440 Ca 0.26 0.14 -0.21 0.00 0.71 0.00 0.00 52.55 53.45 3gtm s ASP 440 Cb -0.11 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 3gtm s ASP 440 CO 0.36 -0.05 0.59 -2.84 0.21 0.00 0.00 175.17 173.44 3gtm s PRO 441 N -3.74 4.37 -0.03 8.23 0.02 -1.26 -2.22 135.00 140.37 3gtm s PRO 441 Ca 0.35 0.65 0.02 0.00 0.02 0.00 0.00 61.00 62.03 3gtm s PRO 441 Cb -0.10 -3.46 0.01 0.00 0.02 0.00 0.00 34.50 30.98 3gtm s PRO 441 CO 0.29 0.08 -0.06 0.14 -0.33 0.00 0.00 177.00 177.12 3gtm s VAL 442 N 0.83 0.55 -0.25 3.83 -7.23 -1.01 -4.40 120.40 112.73 3gtm s VAL 442 Ca 0.31 -0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 3gtm s VAL 442 Cb -0.16 -0.53 -0.00 0.00 0.56 0.00 0.00 36.38 36.25 3gtm s VAL 442 CO 0.14 0.20 1.23 -0.22 -0.31 0.00 0.00 175.10 176.13 3gtm s LEU 443 N 0.45 4.01 0.06 1.32 1.98 -0.60 -0.54 118.68 125.37 3gtm s LEU 443 Ca -0.06 1.37 0.04 0.00 -2.89 0.00 0.00 54.13 52.59 3gtm s LEU 443 Cb -0.10 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.17 3gtm s LEU 443 CO 0.00 -0.90 -0.01 0.12 -1.89 0.00 0.00 176.35 173.67 3gtm s PHE 444 N 3.86 2.98 -0.26 5.38 5.36 0.65 -1.23 117.98 134.71 3gtm s PHE 444 Ca 0.53 -0.01 -0.26 0.00 -0.96 0.00 0.00 56.93 56.23 3gtm s PHE 444 Cb -0.18 -1.56 0.10 0.00 -0.34 0.00 0.00 43.02 41.04 3gtm s PHE 444 CO 0.17 0.46 0.91 1.21 -1.46 0.00 0.00 175.22 176.52 3gtm s ASN 445 N -2.07 -0.55 -0.05 6.13 3.84 -0.81 -1.38 114.94 120.04 3gtm s ASN 445 Ca 0.23 1.02 0.07 0.00 0.21 0.00 0.00 52.86 54.39 3gtm s ASN 445 Cb -0.12 1.02 -0.01 0.00 -0.55 0.00 0.00 41.25 41.60 3gtm s ASN 445 CO 0.15 -0.21 -0.25 -0.60 -2.79 0.00 0.00 177.10 173.40 3gtm s ARG 446 N 0.14 2.45 0.13 0.43 3.52 -1.20 -1.03 118.95 123.39 3gtm s ARG 446 Ca 0.01 -0.91 -0.03 0.00 -0.13 0.00 0.00 55.73 54.67 3gtm s ARG 446 Cb -0.05 -2.14 -0.05 0.00 -1.56 0.00 0.00 34.95 31.16 3gtm s ARG 446 CO -0.03 0.42 0.34 -0.65 -0.81 0.00 0.00 175.30 174.58 3gtm s GLN 447 N -0.27 3.56 -0.16 5.12 -0.21 -1.26 -3.90 119.66 122.54 3gtm s GLN 447 Ca -0.00 -0.22 -0.29 0.00 0.02 0.00 0.00 55.36 54.86 3gtm s GLN 447 Cb -0.13 -2.89 -0.01 0.00 1.00 0.00 0.00 33.01 30.98 3gtm s GLN 447 CO 0.03 0.49 1.14 -2.14 -2.12 0.00 0.00 175.29 172.68 3gtm s PRO 448 N -2.75 4.29 -0.61 2.91 0.02 -1.26 -5.07 135.00 132.53 3gtm s PRO 448 Ca 0.39 1.52 -0.23 0.00 0.02 0.00 0.00 61.00 62.71 3gtm s PRO 448 Cb -0.12 -3.65 0.06 0.00 0.02 0.00 0.00 34.50 30.81 3gtm s PRO 448 CO 0.26 -0.57 0.92 -1.12 -0.33 0.00 0.00 177.00 176.17 3gtm s SER 449 N 1.49 6.23 -0.34 2.53 0.01 -1.25 -4.85 113.70 117.52 3gtm s SER 449 Ca 0.50 -0.78 0.16 0.00 1.31 0.00 0.00 55.95 57.15 3gtm s SER 449 Cb -0.20 -2.41 0.45 0.00 0.21 0.00 0.00 66.02 64.08 3gtm s SER 449 CO 0.14 -1.32 0.97 0.00 0.41 0.00 0.00 173.24 173.44 3gtm n LEU 450 N 7.48 1.91 -3.79 2.44 -0.00 -1.26 -5.05 117.00 118.73 3gtm n LEU 450 Ca -0.02 -3.95 -0.09 0.00 -0.00 0.00 0.00 56.01 51.94 3gtm n LEU 450 Cb 0.46 0.30 -0.07 0.00 -0.00 0.00 0.00 43.42 44.12 3gtm n LEU 450 CO 0.63 1.67 -0.02 -1.00 -0.00 0.00 0.00 177.39 178.67 3gtm s HIS 451 N -3.17 0.03 0.14 1.47 3.76 -1.26 -4.78 115.29 111.48 3gtm s HIS 451 Ca 0.30 -0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 54.65 3gtm s HIS 451 Cb 0.45 0.04 0.02 0.00 1.11 0.00 0.00 32.58 34.19 3gtm s HIS 451 CO 0.00 -0.58 1.71 0.87 -0.85 0.00 0.00 174.74 175.89 3gtm h LYS 452 N 2.70 0.65 -0.64 1.40 1.57 -1.98 -2.89 116.57 117.38 3gtm h LYS 452 Ca -0.34 -0.11 0.16 0.00 -1.87 0.00 0.00 60.65 58.50 3gtm h LYS 452 Cb 1.21 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 3gtm h LYS 452 CO 0.53 0.58 0.45 0.52 -0.57 0.00 0.00 179.45 180.95 3gtm h MET 453 N 0.58 0.15 0.00 3.15 2.86 -1.91 0.06 114.93 119.82 3gtm h MET 453 Ca 0.15 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3gtm h MET 453 Cb 0.15 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3gtm h MET 453 CO -0.02 0.10 0.00 0.45 1.06 0.00 0.00 176.91 178.50 3gtm n SER 454 N -4.41 0.26 -3.68 1.22 2.88 -1.09 -4.20 113.62 104.61 3gtm n SER 454 Ca 0.12 0.59 -0.24 0.00 -1.33 0.00 0.00 58.87 58.01 3gtm n SER 454 Cb 0.61 -0.63 -0.17 0.00 -0.75 0.00 0.00 64.21 63.26 3gtm n SER 454 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3gtm s MET 455 N -3.18 0.23 -0.00 -1.46 -1.94 0.01 -3.23 119.30 109.73 3gtm s MET 455 Ca 0.03 0.01 -0.02 0.00 -1.71 0.00 0.00 55.69 53.99 3gtm s MET 455 Cb 0.06 -1.38 -0.00 0.00 2.01 0.00 0.00 34.83 35.52 3gtm s MET 455 CO 0.21 -0.51 0.04 -1.64 -0.01 0.00 0.00 175.02 173.12 3gtm s MET 456 N 2.06 0.22 0.52 2.03 1.00 -0.48 -4.88 119.30 119.76 3gtm s MET 456 Ca 0.03 -0.22 -0.18 0.00 0.00 0.00 0.00 55.69 55.32 3gtm s MET 456 Cb -0.14 0.09 -0.07 0.00 0.00 0.00 0.00 34.83 34.70 3gtm s MET 456 CO -0.07 -0.04 1.01 0.00 0.00 0.00 0.00 175.02 175.92 3gtm s ALA 457 N -0.68 2.94 0.33 3.03 0.00 0.69 -0.26 121.76 127.81 3gtm s ALA 457 Ca -0.08 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.30 3gtm s ALA 457 Cb -0.05 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3gtm s ALA 457 CO 0.00 -0.34 0.23 -1.01 0.00 0.00 0.00 175.76 174.64 3gtm s HIS 458 N -2.38 1.71 -0.30 0.00 3.76 0.30 -2.68 115.29 115.70 3gtm s HIS 458 Ca 0.62 -1.56 -0.01 0.00 -0.15 0.00 0.00 55.06 53.96 3gtm s HIS 458 Cb -0.13 -0.79 0.05 0.00 1.11 0.00 0.00 32.58 32.83 3gtm s HIS 458 CO 0.27 -0.73 0.00 1.03 -0.85 0.00 0.00 174.74 174.47 3gtm s ARG 459 N -3.57 2.38 0.08 1.40 0.52 0.31 -2.41 118.95 117.65 3gtm s ARG 459 Ca 0.37 -1.31 -0.30 0.00 -0.52 0.00 0.00 55.73 53.97 3gtm s ARG 459 Cb 0.03 -3.18 -0.09 0.00 0.52 0.00 0.00 34.95 32.22 3gtm s ARG 459 CO 0.23 -0.65 1.89 0.08 0.02 0.00 0.00 175.30 176.88 3gtm s VAL 460 N 1.23 2.81 -0.39 3.52 1.01 -0.94 -2.36 120.40 125.27 3gtm s VAL 460 Ca -0.04 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3gtm s VAL 460 Cb -0.20 -3.04 0.11 0.00 0.00 0.00 0.00 36.38 33.25 3gtm s VAL 460 CO -0.02 -0.00 0.12 -0.75 0.00 0.00 0.00 175.10 174.45 3gtm s LYS 461 N 3.60 1.47 0.10 2.72 2.36 -1.08 -0.25 119.74 128.66 3gtm s LYS 461 Ca 0.84 -1.95 -0.31 0.00 -2.55 0.00 0.00 55.97 52.00 3gtm s LYS 461 Cb -0.44 -2.98 -0.09 0.00 -1.05 0.00 0.00 37.83 33.27 3gtm s LYS 461 CO 0.39 -1.01 1.60 0.08 1.55 0.00 0.00 175.35 177.96 3gtm s VAL 462 N 0.68 2.92 0.22 4.02 1.01 -1.26 -2.75 120.40 125.24 3gtm s VAL 462 Ca 0.13 0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.64 3gtm s VAL 462 Cb -0.21 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3gtm s VAL 462 CO -0.08 0.01 0.04 0.27 0.00 0.00 0.00 175.10 175.34 3gtm s ILE 463 N 2.03 0.68 0.24 2.22 -4.36 0.15 -4.91 121.20 117.25 3gtm s ILE 463 Ca 0.72 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 59.07 3gtm s ILE 463 Cb -0.41 -2.36 0.06 0.00 1.25 0.00 0.00 42.46 41.00 3gtm s ILE 463 CO 0.32 -0.27 0.25 -0.81 0.24 0.00 0.00 174.94 174.67 3gtm n PRO 464 N -0.36 -1.06 -1.64 0.37 -0.04 -1.26 0.10 135.00 131.11 3gtm n PRO 464 Ca -0.04 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 3gtm n PRO 464 Cb 0.64 -0.32 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 3gtm n PRO 464 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gtm n TYR 465 N -2.79 -4.47 0.87 0.54 4.02 -1.26 -4.63 117.16 109.43 3gtm n TYR 465 Ca 0.03 2.37 0.01 0.00 -0.01 0.00 0.00 57.90 60.30 3gtm n TYR 465 Cb 0.12 -3.56 0.05 0.00 -0.02 0.00 0.00 39.34 35.93 3gtm n TYR 465 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3gtm n SER 466 N -0.62 1.44 -4.78 7.72 3.41 -1.26 -4.47 113.62 115.06 3gtm n SER 466 Ca 0.00 -2.10 -0.32 0.00 -0.26 0.00 0.00 58.87 56.20 3gtm n SER 466 Cb 0.00 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.40 3gtm n SER 466 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gtm s THR 467 N -1.26 4.64 0.18 6.66 -4.23 -1.26 -4.58 115.64 115.79 3gtm s THR 467 Ca 0.06 -0.58 -0.30 0.00 -1.18 0.00 0.00 61.69 59.69 3gtm s THR 467 Cb 0.05 -3.18 -0.08 0.00 1.34 0.00 0.00 72.50 70.63 3gtm s THR 467 CO 0.02 0.24 1.12 -0.36 -0.54 0.00 0.00 174.62 175.09 3gtm s PHE 468 N -1.29 3.57 -0.04 3.99 0.40 -0.54 -4.04 117.98 120.02 3gtm s PHE 468 Ca 0.26 1.58 0.07 0.00 -0.60 0.00 0.00 56.93 58.24 3gtm s PHE 468 Cb -0.12 -3.30 -0.01 0.00 0.51 0.00 0.00 43.02 40.09 3gtm s PHE 468 CO 0.18 -0.70 -0.25 1.03 0.70 0.00 0.00 175.22 176.18 3gtm s ARG 469 N -0.40 2.30 0.32 0.44 0.52 -0.19 -0.22 118.95 121.71 3gtm s ARG 469 Ca 0.50 -0.90 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 3gtm s ARG 469 Cb -0.30 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.08 3gtm s ARG 469 CO 0.35 0.45 0.26 -0.48 0.02 0.00 0.00 175.30 175.90 3gtm s LEU 470 N -0.36 1.70 -0.18 2.53 0.05 -1.05 0.05 118.68 121.43 3gtm s LEU 470 Ca 0.03 -1.72 -0.15 0.00 0.05 0.00 0.00 54.13 52.34 3gtm s LEU 470 Cb -0.12 0.50 -0.04 0.00 -2.05 0.00 0.00 46.19 44.48 3gtm s LEU 470 CO 0.01 -1.03 0.34 0.21 -0.55 0.00 0.00 176.35 175.33 3gtm s ASN 471 N -3.36 6.43 0.34 1.48 3.84 -1.26 -1.21 114.94 121.20 3gtm s ASN 471 Ca 0.40 0.51 0.18 0.00 0.21 0.00 0.00 52.86 54.16 3gtm s ASN 471 Cb 0.03 -2.20 1.21 0.00 -0.55 0.00 0.00 41.25 39.73 3gtm s ASN 471 CO 0.25 0.03 1.48 0.18 -2.79 0.00 0.00 177.10 176.25 3gtm n LEU 472 N 3.94 0.28 -0.02 3.21 4.77 -1.26 0.12 117.00 128.05 3gtm n LEU 472 Ca -0.10 1.56 0.15 0.00 -0.03 0.00 0.00 56.01 57.59 3gtm n LEU 472 Cb 0.52 -0.74 0.90 0.00 -2.33 0.00 0.00 43.42 41.76 3gtm n LEU 472 CO 0.40 -1.73 1.08 -1.20 -1.33 0.00 0.00 177.39 174.61 3gtm n SER 473 N -5.14 0.05 -1.20 -1.43 7.64 -1.26 -1.96 113.62 110.32 3gtm n SER 473 Ca 0.34 -1.05 -0.02 0.00 1.01 0.00 0.00 58.87 59.15 3gtm n SER 473 Cb 1.16 -0.00 0.22 0.00 -1.01 0.00 0.00 64.21 64.58 3gtm n SER 473 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3gtm n VAL 474 N -0.94 2.54 0.08 0.44 3.14 0.12 -3.91 118.33 119.79 3gtm n VAL 474 Ca 0.23 -2.32 -0.23 0.00 -2.96 0.00 0.00 64.34 59.06 3gtm n VAL 474 Cb 0.11 -0.31 -0.15 0.00 -1.06 0.00 0.00 33.84 32.43 3gtm n VAL 474 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gtm h THR 475 N 1.36 0.96 0.00 1.55 1.03 -1.48 -3.35 112.91 112.98 3gtm h THR 475 Ca 0.18 -2.53 -0.09 0.00 -0.01 0.00 0.00 66.41 63.97 3gtm h THR 475 Cb 1.73 2.78 -0.01 0.00 -1.07 0.00 0.00 68.15 71.58 3gtm h THR 475 CO 0.41 0.86 -0.42 0.77 -0.01 0.00 0.00 175.52 177.13 3gtm h SER 476 N 0.11 0.00 -0.16 0.00 4.64 -1.83 0.38 113.55 116.70 3gtm h SER 476 Ca -0.34 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 3gtm h SER 476 Cb 2.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.20 3gtm h SER 476 CO 0.19 0.42 -0.18 -0.65 -0.87 0.00 0.00 176.83 175.73 3gtm h PRO 477 N 0.00 0.40 0.00 4.77 0.11 -1.80 -3.09 132.00 132.39 3gtm h PRO 477 Ca -0.00 -0.22 -0.05 0.00 0.11 0.00 0.00 66.00 65.83 3gtm h PRO 477 Cb 1.01 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3gtm h PRO 477 CO 0.05 0.79 -0.24 1.88 -0.21 0.00 0.00 178.00 180.28 3gtm h TYR 478 N 0.03 0.00 -4.66 0.65 -1.99 -1.68 -3.37 116.97 105.94 3gtm h TYR 478 Ca 0.02 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 3gtm h TYR 478 Cb 0.73 0.00 0.04 0.00 2.00 0.00 0.00 36.73 39.51 3gtm h TYR 478 CO 0.09 0.24 -0.19 -1.71 -0.00 0.00 0.00 178.16 176.59 3gtm n ASN 479 N -3.24 -5.79 -4.39 3.88 4.05 0.12 -4.81 115.26 105.09 3gtm n ASN 479 Ca 0.02 -0.19 -0.29 0.00 0.45 0.00 0.00 54.58 54.57 3gtm n ASN 479 Cb 0.54 -3.93 -0.13 0.00 1.23 0.00 0.00 39.78 37.48 3gtm n ASN 479 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3gtm s ALA 480 N -3.08 2.38 0.15 5.20 0.00 -0.31 -5.01 121.76 121.08 3gtm s ALA 480 Ca 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3gtm s ALA 480 Cb -0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 3gtm s ALA 480 CO 0.52 0.54 0.00 -0.40 0.00 0.00 0.00 175.76 176.43 3gtm n ASP 481 N 1.10 2.28 -0.61 0.00 5.68 -1.26 -4.81 116.55 118.93 3gtm n ASP 481 Ca -0.18 -1.67 0.06 0.00 -0.50 0.00 0.00 54.79 52.50 3gtm n ASP 481 Cb 0.53 0.13 0.16 0.00 -1.14 0.00 0.00 41.12 40.80 3gtm n ASP 481 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3gtm n PHE 482 N -0.37 0.00 1.71 2.11 3.01 -1.26 -4.57 117.46 118.08 3gtm n PHE 482 Ca -0.06 -1.22 0.01 0.00 1.01 0.00 0.00 57.45 57.19 3gtm n PHE 482 Cb 0.19 -0.21 0.02 0.00 -0.01 0.00 0.00 39.48 39.48 3gtm n PHE 482 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3gtm n ASP 483 N -0.93 0.42 0.00 4.37 3.85 -1.26 -4.67 116.55 118.33 3gtm n ASP 483 Ca 0.16 -2.01 0.00 0.00 -0.71 0.00 0.00 54.79 52.23 3gtm n ASP 483 Cb 0.74 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.41 3gtm n ASP 483 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gtm n GLY 484 N 0.52 -0.67 3.61 6.12 0.00 -1.26 -5.14 105.19 108.37 3gtm n GLY 484 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3gtm n GLY 484 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gtm n ASP 485 N 0.00 0.38 -4.28 1.61 8.00 -1.26 -4.83 116.55 116.17 3gtm n ASP 485 Ca 0.00 0.65 -0.24 0.00 0.71 0.00 0.00 54.79 55.91 3gtm n ASP 485 Cb 0.00 -1.40 -0.13 0.00 -0.02 0.00 0.00 41.12 39.57 3gtm n ASP 485 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3gtm s GLU 486 N -3.35 1.18 0.03 -1.24 2.02 -1.26 -2.05 118.70 114.03 3gtm s GLU 486 Ca 0.73 -1.11 0.02 0.00 0.02 0.00 0.00 54.97 54.63 3gtm s GLU 486 Cb -0.34 -1.41 -0.02 0.00 0.10 0.00 0.00 34.13 32.46 3gtm s GLU 486 CO 0.51 0.33 -0.08 -1.64 0.02 0.00 0.00 175.26 174.40 3gtm s MET 487 N -1.75 0.55 0.18 1.61 -1.94 -1.06 -4.73 119.30 112.16 3gtm s MET 487 Ca 0.07 -0.65 -0.12 0.00 -1.71 0.00 0.00 55.69 53.28 3gtm s MET 487 Cb -0.10 -0.39 -0.07 0.00 2.01 0.00 0.00 34.83 36.28 3gtm s MET 487 CO 0.04 0.08 0.53 -0.80 -0.01 0.00 0.00 175.02 174.86 3gtm s ASN 488 N -1.25 6.72 -0.05 3.03 0.01 -0.20 -3.58 114.94 119.62 3gtm s ASN 488 Ca -0.06 0.98 0.02 0.00 -0.71 0.00 0.00 52.86 53.08 3gtm s ASN 488 Cb -0.08 -2.25 0.01 0.00 0.41 0.00 0.00 41.25 39.34 3gtm s ASN 488 CO 0.00 0.03 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.31 3gtm s LEU 489 N -2.35 1.57 -0.06 0.60 2.96 -0.14 -1.93 118.68 119.32 3gtm s LEU 489 Ca 0.42 -0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.17 3gtm s LEU 489 Cb -0.13 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.91 3gtm s LEU 489 CO 0.20 0.01 -0.25 -1.00 -1.32 0.00 0.00 176.35 173.99 3gtm s HIS 490 N 0.65 2.45 -0.28 5.38 3.76 -0.37 -1.44 115.29 125.45 3gtm s HIS 490 Ca -0.11 -0.77 -0.06 0.00 -0.15 0.00 0.00 55.06 53.96 3gtm s HIS 490 Cb -0.14 -1.61 -0.00 0.00 1.11 0.00 0.00 32.58 31.94 3gtm s HIS 490 CO 0.02 -0.25 0.06 0.08 -0.85 0.00 0.00 174.74 173.80 3gtm s VAL 491 N -0.08 3.95 1.14 -0.90 1.01 -0.90 -1.55 120.40 123.06 3gtm s VAL 491 Ca -0.06 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 3gtm s VAL 491 Cb -0.14 -2.97 0.18 0.00 0.00 0.00 0.00 36.38 33.45 3gtm s VAL 491 CO 0.04 0.17 0.47 -0.81 0.00 0.00 0.00 175.10 174.98 3gtm n PRO 492 N 4.87 -1.91 0.00 2.72 -0.04 -1.26 -4.92 135.00 134.46 3gtm n PRO 492 Ca -0.15 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 3gtm n PRO 492 Cb 0.49 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 3gtm n PRO 492 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3gtm n GLN 493 N -3.33 3.18 -4.92 0.54 -0.06 -1.26 -4.91 117.38 106.61 3gtm n GLN 493 Ca 0.02 0.00 -0.31 0.00 -2.00 0.00 0.00 57.00 54.71 3gtm n GLN 493 Cb 0.58 -0.34 -0.14 0.00 -4.06 0.00 0.00 30.24 26.28 3gtm n GLN 493 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 3gtm s SER 494 N -0.24 3.51 0.51 1.69 0.01 -1.26 -4.64 113.70 113.28 3gtm s SER 494 Ca 0.00 -0.43 0.20 0.00 1.31 0.00 0.00 55.95 57.03 3gtm s SER 494 Cb 0.00 -0.52 1.28 0.00 0.21 0.00 0.00 66.02 66.99 3gtm s SER 494 CO 0.00 0.29 2.05 -0.08 0.41 0.00 0.00 173.24 175.91 3gtm h GLU 495 N 4.99 0.08 -0.00 12.44 4.57 -1.97 0.37 114.58 135.06 3gtm h GLU 495 Ca -0.46 -0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.53 3gtm h GLU 495 Cb 1.14 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 3gtm h GLU 495 CO 0.47 0.05 -0.82 1.05 -1.18 0.00 0.00 179.01 178.58 3gtm h GLU 496 N 0.08 0.11 0.10 1.92 4.11 -1.99 -2.82 114.58 116.08 3gtm h GLU 496 Ca 0.16 -0.12 -0.19 0.00 0.07 0.00 0.00 59.36 59.28 3gtm h GLU 496 Cb 0.54 0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.84 3gtm h GLU 496 CO -0.01 0.87 -0.80 1.15 0.07 0.00 0.00 179.01 180.28 3gtm h THR 497 N 0.06 1.45 0.00 -1.06 2.02 -1.12 -2.95 112.91 111.32 3gtm h THR 497 Ca -0.03 -2.38 -0.05 0.00 0.77 0.00 0.00 66.41 64.73 3gtm h THR 497 Cb 1.44 2.94 -0.01 0.00 -1.74 0.00 0.00 68.15 70.79 3gtm h THR 497 CO 0.12 0.69 -0.23 0.08 0.37 0.00 0.00 175.52 176.55 3gtm h ARG 498 N -0.20 0.00 -0.51 6.66 0.11 -0.50 -1.32 114.38 118.62 3gtm h ARG 498 Ca -0.13 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.83 3gtm h ARG 498 Cb 1.57 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.64 3gtm h ARG 498 CO 0.15 0.23 -0.17 0.00 0.10 0.00 0.00 179.97 180.28 3gtm h ALA 499 N 1.77 0.73 0.00 0.08 0.00 -1.54 -2.47 119.26 117.82 3gtm h ALA 499 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3gtm h ALA 499 Cb 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gtm h ALA 499 CO 0.03 0.67 0.00 -1.91 0.00 0.00 0.00 179.25 178.04 3gtm n GLU 500 N -4.12 0.17 -0.08 0.00 2.13 -0.50 -2.12 120.64 116.12 3gtm n GLU 500 Ca 0.01 0.06 -0.12 0.00 0.66 0.00 0.00 57.16 57.77 3gtm n GLU 500 Cb 0.44 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.61 3gtm n GLU 500 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3gtm n LEU 501 N -1.08 1.72 0.00 4.31 4.77 -0.95 -4.21 117.00 121.56 3gtm n LEU 501 Ca 0.04 0.29 0.07 0.00 -0.03 0.00 0.00 56.01 56.38 3gtm n LEU 501 Cb 0.03 -0.66 0.33 0.00 -2.33 0.00 0.00 43.42 40.79 3gtm n LEU 501 CO 0.04 -0.12 0.70 -1.54 -1.33 0.00 0.00 177.39 175.14 3gtm n SER 502 N -4.20 0.00 -0.38 -1.43 3.41 -1.11 0.66 113.62 110.58 3gtm n SER 502 Ca -0.21 0.26 0.07 0.00 -0.26 0.00 0.00 58.87 58.74 3gtm n SER 502 Cb 0.54 -0.38 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 3gtm n SER 502 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtm n GLN 503 N -1.38 1.67 0.04 4.33 3.00 -0.90 -4.56 117.38 119.58 3gtm n GLN 503 Ca 0.05 -0.86 0.00 0.00 -0.01 0.00 0.00 57.00 56.18 3gtm n GLN 503 Cb 0.13 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.12 3gtm n GLN 503 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3gtm n LEU 504 N -0.01 -0.12 0.18 1.08 4.32 -0.78 -4.92 117.00 116.76 3gtm n LEU 504 Ca 0.07 0.12 0.13 0.00 -0.02 0.00 0.00 56.01 56.31 3gtm n LEU 504 Cb 0.33 0.19 0.30 0.00 -1.62 0.00 0.00 43.42 42.62 3gtm n LEU 504 CO 0.18 -0.55 0.85 0.00 -1.22 0.00 0.00 177.39 176.65 3gtm n ALA 506 N -1.98 -1.52 -0.01 0.00 0.00 -0.40 -0.22 120.51 116.37 3gtm n ALA 506 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 3gtm n ALA 506 Cb 0.47 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 3gtm n ALA 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gtm h VAL 507 N 0.20 1.08 -0.24 0.00 2.07 -1.85 -3.06 116.25 114.45 3gtm h VAL 507 Ca -0.45 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3gtm h VAL 507 Cb 1.41 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3gtm h VAL 507 CO 0.46 0.07 0.08 -0.65 0.02 0.00 0.00 177.57 177.55 3gtm h PRO 508 N 0.09 0.38 0.00 1.57 0.11 -1.90 -0.53 132.00 131.71 3gtm h PRO 508 Ca 0.04 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3gtm h PRO 508 Cb 0.07 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3gtm h PRO 508 CO -0.01 0.46 0.48 -0.07 -0.21 0.00 0.00 178.00 178.65 3gtm h LEU 509 N 0.23 0.00 -3.53 2.35 3.38 -1.88 -1.54 115.31 114.32 3gtm h LEU 509 Ca 0.08 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 3gtm h LEU 509 Cb 0.23 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.81 3gtm h LEU 509 CO -0.00 0.00 0.08 0.00 0.09 0.00 0.00 178.44 178.61 3gtm n GLN 510 N -2.77 2.00 0.02 1.13 1.13 -0.21 -4.65 117.38 114.03 3gtm n GLN 510 Ca -0.02 -3.19 -0.22 0.00 -1.94 0.00 0.00 57.00 51.63 3gtm n GLN 510 Cb 0.52 -1.93 -0.14 0.00 0.11 0.00 0.00 30.24 28.80 3gtm n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3gtm h ILE 511 N 1.04 0.93 -1.79 5.09 2.04 -1.30 -3.42 117.51 120.09 3gtm h ILE 511 Ca 0.33 -2.41 -0.64 0.00 1.00 0.00 0.00 64.86 63.14 3gtm h ILE 511 Cb 1.90 2.67 -0.14 0.00 -0.74 0.00 0.00 36.82 40.51 3gtm h ILE 511 CO 0.60 0.76 1.15 -0.69 0.00 0.00 0.00 178.15 179.97 3gtm s VAL 512 N -2.51 4.30 0.10 1.67 1.01 -1.26 -1.36 120.40 122.35 3gtm s VAL 512 Ca -0.20 -1.09 -0.34 0.00 0.00 0.00 0.00 61.98 60.36 3gtm s VAL 512 Cb 0.05 -4.91 -0.13 0.00 0.00 0.00 0.00 36.38 31.39 3gtm s VAL 512 CO 0.78 -1.72 1.68 -0.24 0.00 0.00 0.00 175.10 175.60 3gtm n SER 513 N 7.79 3.31 0.23 3.32 2.88 -1.02 -4.69 113.62 125.45 3gtm n SER 513 Ca 0.27 1.05 0.13 0.00 -1.33 0.00 0.00 58.87 58.98 3gtm n SER 513 Cb 0.50 -1.43 0.29 0.00 -0.75 0.00 0.00 64.21 62.82 3gtm n SER 513 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3gtm h PRO 514 N 7.00 0.00 0.00 -1.46 0.11 -1.87 -2.83 132.00 132.95 3gtm h PRO 514 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gtm h PRO 514 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gtm h PRO 514 CO 0.91 0.01 -0.41 -0.56 -0.21 0.00 0.00 178.00 177.74 3gtm h GLN 515 N 0.00 0.00 0.00 1.05 3.07 -1.89 -3.36 115.11 113.98 3gtm h GLN 515 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 3gtm h GLN 515 Cb 0.89 0.00 -0.28 0.00 0.08 0.00 0.00 27.48 28.17 3gtm h GLN 515 CO 0.00 0.00 -0.88 -1.13 0.09 0.00 0.00 178.83 176.91 3gtm n SER 516 N -2.73 0.84 -3.50 0.06 3.41 -1.23 -2.69 113.62 107.77 3gtm n SER 516 Ca 0.03 -2.11 -0.23 0.00 -0.26 0.00 0.00 58.87 56.30 3gtm n SER 516 Cb 0.51 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 3gtm n SER 516 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3gtm n ASN 517 N 0.28 -1.37 -3.70 4.04 0.23 -1.07 -4.88 115.26 108.79 3gtm n ASN 517 Ca 0.05 -0.47 -0.13 0.00 -0.53 0.00 0.00 54.58 53.50 3gtm n ASN 517 Cb 1.02 -1.25 -0.07 0.00 -2.08 0.00 0.00 39.78 37.40 3gtm n ASN 517 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3gtm s LYS 518 N -5.89 0.83 0.14 -3.83 -2.85 -1.22 -4.68 119.74 102.25 3gtm s LYS 518 Ca 0.45 -0.27 -0.33 0.00 -1.00 0.00 0.00 55.97 54.82 3gtm s LYS 518 Cb -0.26 0.37 -0.13 0.00 -2.06 0.00 0.00 37.83 35.75 3gtm s LYS 518 CO 0.55 -0.26 1.66 -0.35 0.10 0.00 0.00 175.35 177.05 3gtm n PRO 519 N 0.82 2.32 0.04 1.78 -0.04 -1.26 -2.44 135.00 136.23 3gtm n PRO 519 Ca -0.20 0.84 0.11 0.00 -0.04 0.00 0.00 63.50 64.22 3gtm n PRO 519 Cb 0.58 -2.64 -0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3gtm n PRO 519 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gtm s MET 521 N -3.29 2.85 0.00 0.00 -1.94 -1.26 -4.55 119.30 111.11 3gtm s MET 521 Ca 0.01 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 3gtm s MET 521 Cb 0.13 -2.69 0.00 0.00 2.01 0.00 0.00 34.83 34.28 3gtm s MET 521 CO 0.81 0.55 0.00 0.41 -0.01 0.00 0.00 175.02 176.78 3gtm n GLY 522 N 0.32 4.28 3.21 -0.03 0.00 -1.25 -4.47 105.19 107.24 3gtm n GLY 522 Ca -0.09 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 3gtm n GLY 522 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtm s ILE 523 N 0.02 2.07 0.06 -0.61 1.01 -1.24 -4.58 121.20 117.93 3gtm s ILE 523 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.66 3gtm s ILE 523 Cb 0.00 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 3gtm s ILE 523 CO 0.00 0.56 -0.07 0.68 0.00 0.00 0.00 174.94 176.11 3gtm s VAL 524 N 0.47 0.52 0.00 2.92 -7.23 -1.26 -4.70 120.40 111.13 3gtm s VAL 524 Ca -0.16 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 3gtm s VAL 524 Cb -0.17 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.77 3gtm s VAL 524 CO 0.06 -0.60 0.00 0.00 -0.31 0.00 0.00 175.10 174.25 3gtm n GLN 525 N 0.87 0.00 -0.25 4.82 6.02 -1.26 -3.76 117.38 123.83 3gtm n GLN 525 Ca -0.19 0.00 0.22 0.00 -0.01 0.00 0.00 57.00 57.03 3gtm n GLN 525 Cb 0.57 0.00 0.39 0.00 1.02 0.00 0.00 30.24 32.22 3gtm n GLN 525 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3gtm n ASP 526 N -1.39 0.17 0.09 1.08 9.92 -1.26 0.22 116.55 125.39 3gtm n ASP 526 Ca 0.00 0.94 -0.14 0.00 -0.53 0.00 0.00 54.79 55.06 3gtm n ASP 526 Cb 0.00 -0.46 -0.11 0.00 -0.64 0.00 0.00 41.12 39.91 3gtm n ASP 526 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3gtm h THR 527 N 0.00 1.51 0.00 -3.53 2.02 -1.95 -1.62 112.91 109.34 3gtm h THR 527 Ca 0.54 -2.99 -0.14 0.00 0.77 0.00 0.00 66.41 64.58 3gtm h THR 527 Cb 1.58 2.83 -0.02 0.00 -1.74 0.00 0.00 68.15 70.79 3gtm h THR 527 CO -0.38 0.87 -0.84 0.25 0.37 0.00 0.00 175.52 175.79 3gtm h LEU 528 N 0.09 0.00 0.00 2.58 5.85 0.26 -2.22 115.31 121.87 3gtm h LEU 528 Ca -0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3gtm h LEU 528 Cb 1.86 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.89 3gtm h LEU 528 CO 0.18 0.62 -0.92 0.00 -0.34 0.00 0.00 178.44 177.99 3gtm h GLY 530 N 4.07 0.19 1.16 0.00 0.00 -1.33 -3.30 103.07 103.86 3gtm h GLY 530 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 47.33 46.90 3gtm h GLY 530 CO 0.00 0.43 0.36 1.19 0.00 0.00 0.00 176.54 178.52 3gtm h ILE 531 N -0.60 0.23 0.05 2.60 2.10 -1.54 0.39 117.51 120.73 3gtm h ILE 531 Ca -0.17 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.77 3gtm h ILE 531 Cb 1.46 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 3gtm h ILE 531 CO 0.04 0.00 -0.02 -0.09 -1.08 0.00 0.00 178.15 177.00 3gtm h ARG 532 N 0.00 -0.06 -0.52 2.19 2.43 -1.68 -2.96 114.38 113.77 3gtm h ARG 532 Ca 0.10 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3gtm h ARG 532 Cb 0.82 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 3gtm h ARG 532 CO -0.00 0.57 0.35 0.87 -1.51 0.00 0.00 179.97 180.24 3gtm h LYS 533 N -0.87 0.50 0.00 0.20 1.57 -0.65 -1.80 116.57 115.53 3gtm h LYS 533 Ca -0.01 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 3gtm h LYS 533 Cb 0.66 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 3gtm h LYS 533 CO 0.01 0.33 -0.70 1.25 -0.57 0.00 0.00 179.45 179.77 3gtm h LEU 534 N 0.52 0.00 0.06 2.94 5.85 -0.53 -3.37 115.31 120.78 3gtm h LEU 534 Ca 0.22 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 3gtm h LEU 534 Cb 0.22 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.25 3gtm h LEU 534 CO -0.06 0.70 -0.47 0.74 -0.34 0.00 0.00 178.44 179.01 3gtm h THR 535 N 0.00 1.59 -0.64 1.05 2.02 -1.15 -3.34 112.91 112.43 3gtm h THR 535 Ca -0.01 -2.41 -0.52 0.00 0.77 0.00 0.00 66.41 64.25 3gtm h THR 535 Cb 1.26 3.21 0.03 0.00 -1.74 0.00 0.00 68.15 70.90 3gtm h THR 535 CO 0.09 0.64 0.10 0.18 0.37 0.00 0.00 175.52 176.90 3gtm n LEU 536 N -4.38 0.12 0.14 2.58 4.77 -1.09 -4.18 117.00 114.96 3gtm n LEU 536 Ca -0.14 0.75 0.19 0.00 -0.03 0.00 0.00 56.01 56.78 3gtm n LEU 536 Cb 0.64 -0.59 0.72 0.00 -2.33 0.00 0.00 43.42 41.87 3gtm n LEU 536 CO 0.39 -1.12 1.17 0.03 -1.33 0.00 0.00 177.39 176.53 3gtm h ARG 537 N 2.14 0.00 0.00 3.23 3.08 -1.95 0.71 114.38 121.59 3gtm h ARG 537 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 3gtm h ARG 537 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3gtm h ARG 537 CO 0.45 0.00 0.00 -3.47 -1.07 0.00 0.00 179.97 175.88 3gtm n ASP 538 N -3.44 0.49 -4.62 7.04 4.64 -1.26 -4.58 116.55 114.82 3gtm n ASP 538 Ca 0.06 0.62 -0.41 0.00 -1.38 0.00 0.00 54.79 53.68 3gtm n ASP 538 Cb 0.63 -0.72 -0.06 0.00 -1.04 0.00 0.00 41.12 39.93 3gtm n ASP 538 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3gtm s THR 539 N -3.22 4.98 0.05 5.18 2.01 0.25 -5.06 115.64 119.84 3gtm s THR 539 Ca 0.05 1.07 0.06 0.00 0.31 0.00 0.00 61.69 63.19 3gtm s THR 539 Cb 0.10 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 3gtm s THR 539 CO 0.37 0.00 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.77 3gtm s PHE 540 N 2.51 1.47 0.05 4.92 2.99 -1.26 -3.01 117.98 125.64 3gtm s PHE 540 Ca 0.26 -0.38 0.06 0.00 0.00 0.00 0.00 56.93 56.87 3gtm s PHE 540 Cb -0.15 -0.85 -0.02 0.00 0.00 0.00 0.00 43.02 41.99 3gtm s PHE 540 CO 0.09 0.08 -0.18 0.42 -0.00 0.00 0.00 175.22 175.64 3gtm s ILE 541 N -0.95 1.40 0.49 0.64 1.01 0.10 -4.96 121.20 118.94 3gtm s ILE 541 Ca 0.03 -1.14 0.07 0.00 0.00 0.00 0.00 60.65 59.61 3gtm s ILE 541 Cb -0.09 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.15 3gtm s ILE 541 CO 0.02 0.08 0.41 -1.83 0.00 0.00 0.00 174.94 173.62 3gtm s GLU 542 N -1.23 2.35 0.11 2.79 -1.05 -1.26 0.36 118.70 120.77 3gtm s GLU 542 Ca 0.04 -1.81 -0.23 0.00 -0.15 0.00 0.00 54.97 52.83 3gtm s GLU 542 Cb -0.08 -2.23 -0.06 0.00 -0.44 0.00 0.00 34.13 31.32 3gtm s GLU 542 CO 0.02 -0.45 1.39 1.25 0.95 0.00 0.00 175.26 178.41 3gtm h LEU 543 N 0.86 -1.51 -0.76 1.83 5.85 -1.99 -0.93 115.31 118.66 3gtm h LEU 543 Ca -0.38 0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3gtm h LEU 543 Cb 1.28 0.66 -0.05 0.00 0.37 0.00 0.00 40.66 42.92 3gtm h LEU 543 CO 0.57 -0.19 0.48 -2.24 -0.34 0.00 0.00 178.44 176.72 3gtm h ASP 544 N -0.07 0.80 0.06 1.25 2.03 -1.97 -2.51 116.42 116.00 3gtm h ASP 544 Ca 0.10 -0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.19 3gtm h ASP 544 Cb 0.33 -0.18 0.02 0.00 -0.83 0.00 0.00 39.33 38.67 3gtm h ASP 544 CO -0.62 0.55 -0.85 -0.61 -1.03 0.00 0.00 179.24 176.68 3gtm h GLN 545 N 0.94 0.47 -0.85 4.15 4.15 -1.91 -3.29 115.11 118.77 3gtm h GLN 545 Ca 0.30 -0.59 0.17 0.00 0.77 0.00 0.00 58.65 59.30 3gtm h GLN 545 Cb 0.01 0.18 -0.10 0.00 0.21 0.00 0.00 27.48 27.79 3gtm h GLN 545 CO -0.11 1.22 0.41 0.28 -1.93 0.00 0.00 178.83 178.70 3gtm h VAL 546 N -0.01 0.65 -0.76 2.39 2.07 -0.97 -1.52 116.25 118.10 3gtm h VAL 546 Ca -0.12 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.22 3gtm h VAL 546 Cb 1.57 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3gtm h VAL 546 CO 0.16 0.10 0.50 -0.07 0.02 0.00 0.00 177.57 178.28 3gtm h LEU 547 N 0.54 0.86 0.21 2.57 3.38 -1.53 0.32 115.31 121.67 3gtm h LEU 547 Ca 0.48 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3gtm h LEU 547 Cb 0.76 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3gtm h LEU 547 CO -0.41 0.62 -0.20 0.78 0.09 0.00 0.00 178.44 179.31 3gtm h ASN 548 N 1.02 -0.54 -1.00 -0.43 2.35 -1.38 -0.28 115.58 115.32 3gtm h ASN 548 Ca 0.29 0.05 0.12 0.00 -0.55 0.00 0.00 56.30 56.21 3gtm h ASN 548 Cb -0.09 0.18 -0.08 0.00 0.05 0.00 0.00 38.32 38.38 3gtm h ASN 548 CO -0.07 -0.30 0.63 0.24 -1.65 0.00 0.00 177.43 176.28 3gtm h MET 549 N -0.44 0.95 -0.48 0.81 2.86 -0.94 0.28 114.93 117.96 3gtm h MET 549 Ca -0.00 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 3gtm h MET 549 Cb 0.41 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3gtm h MET 549 CO -0.04 0.63 0.04 -0.07 1.06 0.00 0.00 176.91 178.53 3gtm h LEU 550 N 0.98 0.80 -1.37 1.22 3.38 -0.56 -2.49 115.31 117.27 3gtm h LEU 550 Ca 0.50 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3gtm h LEU 550 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3gtm h LEU 550 CO -0.26 0.89 -0.29 0.22 0.09 0.00 0.00 178.44 179.08 3gtm h TYR 551 N 0.69 0.03 -0.79 1.13 3.20 0.23 -3.10 116.97 118.36 3gtm h TYR 551 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3gtm h TYR 551 Cb 0.45 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3gtm h TYR 551 CO 0.03 0.32 0.44 -1.49 -1.64 0.00 0.00 178.16 175.83 3gtm h TRP 552 N 0.03 1.07 -2.79 -3.82 4.06 -0.52 -3.40 115.95 110.58 3gtm h TRP 552 Ca 0.00 -0.02 -0.56 0.00 2.06 0.00 0.00 58.89 60.38 3gtm h TRP 552 Cb 0.54 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 3gtm h TRP 552 CO 0.00 0.74 0.97 0.08 -3.56 0.00 0.00 178.44 176.67 3gtm s VAL 553 N -5.74 3.93 -2.00 1.49 1.01 -1.17 -4.88 120.40 113.04 3gtm s VAL 553 Ca -0.12 1.15 0.16 0.00 0.00 0.00 0.00 61.98 63.17 3gtm s VAL 553 Cb 0.17 -3.74 0.45 0.00 0.00 0.00 0.00 36.38 33.26 3gtm s VAL 553 CO 0.81 -0.09 1.57 -2.65 0.00 0.00 0.00 175.10 174.74 3gtm n PRO 554 N 6.69 0.95 0.00 2.72 -0.02 -1.26 -2.72 135.00 141.36 3gtm n PRO 554 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3gtm n PRO 554 Cb 0.44 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3gtm n PRO 554 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gtm n ASP 555 N -0.76 1.57 -4.69 2.55 10.43 -1.26 -5.05 116.55 119.35 3gtm n ASP 555 Ca 0.12 -1.75 -0.42 0.00 2.57 0.00 0.00 54.79 55.31 3gtm n ASP 555 Cb 0.05 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.98 3gtm n ASP 555 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3gtm s TRP 556 N -0.75 2.10 -2.00 1.24 -0.00 -1.10 -4.83 118.94 113.60 3gtm s TRP 556 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 56.10 56.06 3gtm s TRP 556 Cb 0.00 -4.18 0.02 0.00 -0.00 0.00 0.00 33.47 29.31 3gtm s TRP 556 CO 0.00 -4.88 0.38 -0.40 -0.00 0.00 0.00 176.95 172.05 3gtm n ASP 557 N 5.80 0.00 -0.55 5.86 5.75 -1.26 -4.72 116.55 127.42 3gtm n ASP 557 Ca 0.18 -0.02 -0.07 0.00 -0.01 0.00 0.00 54.79 54.87 3gtm n ASP 557 Cb 0.38 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 3gtm n ASP 557 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gtm n GLY 558 N -0.83 0.93 2.77 6.12 0.00 -1.26 -5.00 105.19 107.92 3gtm n GLY 558 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 3gtm n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtm s VAL 559 N -2.26 0.70 -0.00 1.61 1.01 -1.26 -5.11 120.40 115.08 3gtm s VAL 559 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 3gtm s VAL 559 Cb 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 3gtm s VAL 559 CO 0.00 -0.19 1.53 0.27 0.00 0.00 0.00 175.10 176.71 3gtm s ILE 560 N 1.78 3.51 0.53 2.22 -4.36 -1.26 -4.96 121.20 118.66 3gtm s ILE 560 Ca -0.02 0.84 -0.21 0.00 -0.26 0.00 0.00 60.65 61.00 3gtm s ILE 560 Cb -0.17 -3.54 -0.05 0.00 1.25 0.00 0.00 42.46 39.94 3gtm s ILE 560 CO -0.08 -0.02 1.21 -2.16 0.24 0.00 0.00 174.94 174.13 3gtm s PRO 561 N 2.94 3.33 0.10 0.37 0.04 -1.26 -4.95 135.00 135.58 3gtm s PRO 561 Ca 0.69 1.85 -0.31 0.00 0.04 0.00 0.00 61.00 63.26 3gtm s PRO 561 Cb -0.34 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 3gtm s PRO 561 CO 0.28 -0.92 1.38 0.99 0.04 0.00 0.00 177.00 178.77 3gtm s THR 562 N -1.55 3.38 0.15 1.26 2.01 -1.26 -4.91 115.64 114.71 3gtm s THR 562 Ca 0.71 0.98 -0.31 0.00 0.31 0.00 0.00 61.69 63.37 3gtm s THR 562 Cb -0.30 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.47 3gtm s THR 562 CO 0.35 0.07 1.73 -2.84 -0.69 0.00 0.00 174.62 173.24 3gtm s PRO 563 N 1.18 4.16 0.62 4.92 0.02 -1.26 -4.85 135.00 139.79 3gtm s PRO 563 Ca 0.64 2.52 0.30 0.00 0.02 0.00 0.00 61.00 64.48 3gtm s PRO 563 Cb -0.36 -3.36 1.63 0.00 0.02 0.00 0.00 34.50 32.43 3gtm s PRO 563 CO 0.30 -0.76 1.91 0.00 -0.33 0.00 0.00 177.00 178.12 3gtm h ALA 564 N 7.70 1.26 -3.68 -1.55 0.00 -1.91 -3.39 119.26 117.69 3gtm h ALA 564 Ca -0.44 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.11 3gtm h ALA 564 Cb 1.21 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 3gtm h ALA 564 CO 0.94 -0.26 -0.76 0.42 0.00 0.00 0.00 179.25 179.59 3gtm s ILE 565 N -4.01 0.42 0.12 0.00 1.01 -0.67 -5.02 121.20 113.04 3gtm s ILE 565 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3gtm s ILE 565 Cb 0.09 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.14 3gtm s ILE 565 CO 0.27 0.16 0.00 -0.38 0.00 0.00 0.00 174.94 174.99 3gtm n ILE 566 N 3.53 0.79 0.00 2.92 5.41 -1.26 -1.94 119.36 128.81 3gtm n ILE 566 Ca -0.20 0.26 0.00 0.00 1.00 0.00 0.00 62.75 63.81 3gtm n ILE 566 Cb 0.54 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.23 3gtm n ILE 566 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3gtm n LYS 567 N -3.32 0.00 -0.09 0.38 2.85 -1.26 -2.63 118.16 114.09 3gtm n LYS 567 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 3gtm n LYS 567 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 3gtm n LYS 567 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 3gtm h PRO 568 N 0.00 0.44 -4.11 -1.58 0.13 -2.06 -3.43 132.00 121.39 3gtm h PRO 568 Ca 0.00 -0.09 -0.45 0.00 -0.87 0.00 0.00 66.00 64.59 3gtm h PRO 568 Cb 0.00 -0.07 -0.35 0.00 0.13 0.00 0.00 31.00 30.72 3gtm h PRO 568 CO 0.00 0.49 -0.78 0.21 -0.23 0.00 0.00 178.00 177.68 3gtm s LYS 569 N -5.45 1.06 -0.52 0.86 2.20 -1.08 -5.09 119.74 111.72 3gtm s LYS 569 Ca -0.13 -0.16 -0.27 0.00 -0.36 0.00 0.00 55.97 55.05 3gtm s LYS 569 Cb 0.08 -1.07 -0.02 0.00 -1.51 0.00 0.00 37.83 35.32 3gtm s LYS 569 CO 0.73 -0.11 1.88 -1.25 -0.36 0.00 0.00 175.35 176.24 3gtm s PRO 570 N 1.11 2.80 0.11 4.03 0.04 -1.17 -4.41 135.00 137.51 3gtm s PRO 570 Ca -0.08 0.92 0.04 0.00 0.04 0.00 0.00 61.00 61.92 3gtm s PRO 570 Cb -0.14 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.02 3gtm s PRO 570 CO -0.01 -2.51 0.06 -0.51 0.04 0.00 0.00 177.00 174.07 3gtm s LEU 571 N 8.66 3.65 0.25 -3.56 1.02 -0.82 -4.29 118.68 123.59 3gtm s LEU 571 Ca 0.73 -0.13 0.08 0.00 0.02 0.00 0.00 54.13 54.83 3gtm s LEU 571 Cb -0.16 -2.33 -0.04 0.00 0.02 0.00 0.00 46.19 43.69 3gtm s LEU 571 CO 0.25 0.14 0.13 0.26 0.02 0.00 0.00 176.35 177.15 3gtm s TRP 572 N -1.48 2.99 0.36 0.29 0.51 0.16 -1.68 118.94 120.10 3gtm s TRP 572 Ca 0.28 -0.13 0.01 0.00 -2.12 0.00 0.00 56.10 54.14 3gtm s TRP 572 Cb -0.11 -1.35 -0.02 0.00 -0.81 0.00 0.00 33.47 31.17 3gtm s TRP 572 CO 0.21 0.55 0.56 -1.54 -0.51 0.00 0.00 176.95 176.21 3gtm s SER 573 N -3.70 6.16 0.05 2.95 1.04 -1.26 -0.73 113.70 118.21 3gtm s SER 573 Ca 0.32 0.33 -0.35 0.00 0.48 0.00 0.00 55.95 56.74 3gtm s SER 573 Cb -0.08 -1.84 -0.19 0.00 0.10 0.00 0.00 66.02 64.01 3gtm s SER 573 CO 0.23 -0.38 1.47 1.23 0.98 0.00 0.00 173.24 176.77 3gtm h GLY 574 N 0.71 -1.25 -0.69 7.32 0.00 -1.66 -2.79 103.07 104.71 3gtm h GLY 574 Ca -0.49 0.46 0.35 0.00 0.00 0.00 0.00 47.33 47.66 3gtm h GLY 574 CO 0.60 -0.46 0.54 0.50 0.00 0.00 0.00 176.54 177.72 3gtm h LYS 575 N -1.27 0.20 -0.77 4.80 1.57 -1.73 0.85 116.57 120.23 3gtm h LYS 575 Ca -0.12 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3gtm h LYS 575 Cb 0.92 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.14 3gtm h LYS 575 CO 0.20 0.13 0.50 0.37 -0.57 0.00 0.00 179.45 180.09 3gtm h GLN 576 N 0.21 0.84 0.00 3.15 4.15 -1.85 -2.50 115.11 119.11 3gtm h GLN 576 Ca 0.77 -0.05 -0.34 0.00 0.77 0.00 0.00 58.65 59.79 3gtm h GLN 576 Cb 1.85 -0.19 -0.06 0.00 0.21 0.00 0.00 27.48 29.28 3gtm h GLN 576 CO -0.67 0.55 -2.29 0.44 -1.93 0.00 0.00 178.83 174.94 3gtm n ILE 577 N -4.47 1.29 0.06 2.39 -5.35 0.21 -3.96 119.36 109.52 3gtm n ILE 577 Ca 0.11 -0.76 0.18 0.00 -0.27 0.00 0.00 62.75 62.00 3gtm n ILE 577 Cb 0.19 -0.58 0.69 0.00 -1.74 0.00 0.00 39.64 38.19 3gtm n ILE 577 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3gtm h LEU 578 N 0.00 0.00 0.00 7.28 5.85 -1.30 0.25 115.31 127.40 3gtm h LEU 578 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3gtm h LEU 578 Cb 2.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.15 3gtm h LEU 578 CO 0.02 0.00 0.00 -1.20 -0.34 0.00 0.00 178.44 176.92 3gtm n SER 579 N -4.36 0.00 0.23 1.25 7.64 -0.95 -0.51 113.62 116.93 3gtm n SER 579 Ca 0.07 0.42 0.12 0.00 1.01 0.00 0.00 58.87 60.49 3gtm n SER 579 Cb 0.51 -0.45 0.45 0.00 -1.01 0.00 0.00 64.21 63.71 3gtm n SER 579 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3gtm h VAL 580 N 0.00 0.37 0.02 0.44 2.07 -0.68 -3.04 116.25 115.42 3gtm h VAL 580 Ca 0.00 -1.03 -0.24 0.00 0.82 0.00 0.00 66.70 66.25 3gtm h VAL 580 Cb 0.16 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3gtm h VAL 580 CO 0.00 0.16 -1.22 0.00 0.02 0.00 0.00 177.57 176.53 3gtm h ALA 581 N 1.84 0.42 -2.07 1.67 0.00 -0.94 -3.44 119.26 116.76 3gtm h ALA 581 Ca -0.00 -1.05 -0.60 0.00 0.00 0.00 0.00 54.91 53.26 3gtm h ALA 581 Cb 0.76 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 3gtm h ALA 581 CO 0.02 1.30 0.54 0.42 0.00 0.00 0.00 179.25 181.53 3gtm s ILE 582 N -2.67 4.62 0.00 0.00 1.01 -1.15 -4.82 121.20 118.18 3gtm s ILE 582 Ca -0.01 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.73 3gtm s ILE 582 Cb 0.09 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3gtm s ILE 582 CO 0.83 -0.53 0.00 -0.81 0.00 0.00 0.00 174.94 174.43 3gtm n PRO 583 N 6.70 -0.30 -4.12 2.79 -0.04 -1.26 -4.57 135.00 134.20 3gtm n PRO 583 Ca 0.06 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 3gtm n PRO 583 Cb 0.48 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.84 3gtm n PRO 583 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3gtm s ASN 584 N -1.90 5.43 0.00 3.54 0.01 -1.26 -3.00 114.94 117.76 3gtm s ASN 584 Ca 0.00 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 3gtm s ASN 584 Cb 0.00 -1.89 0.00 0.00 0.41 0.00 0.00 41.25 39.77 3gtm s ASN 584 CO 0.00 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 3gtm n GLY 585 N 3.39 1.11 3.81 0.66 0.00 -1.26 -4.87 105.19 108.04 3gtm n GLY 585 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 3gtm n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtm s ILE 586 N -2.00 4.80 -0.05 -0.61 -1.09 -1.26 -4.81 121.20 116.18 3gtm s ILE 586 Ca 0.00 1.15 0.02 0.00 -2.23 0.00 0.00 60.65 59.59 3gtm s ILE 586 Cb 0.00 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 3gtm s ILE 586 CO 0.00 0.55 -0.10 -2.28 -1.23 0.00 0.00 174.94 171.89 3gtm s HIS 587 N -1.04 1.16 -0.10 3.97 2.46 -1.25 -0.91 115.29 119.56 3gtm s HIS 587 Ca 0.28 -0.38 -0.04 0.00 0.47 0.00 0.00 55.06 55.40 3gtm s HIS 587 Cb -0.19 -0.88 0.05 0.00 -0.13 0.00 0.00 32.58 31.44 3gtm s HIS 587 CO 0.18 -0.21 0.16 -1.17 -2.47 0.00 0.00 174.74 171.23 3gtm s LEU 588 N 0.62 -0.05 -0.11 8.88 2.96 0.11 -4.96 118.68 126.12 3gtm s LEU 588 Ca -0.11 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3gtm s LEU 588 Cb -0.14 0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.79 3gtm s LEU 588 CO 0.02 -0.26 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.54 3gtm s GLN 589 N 2.29 3.19 0.00 1.98 -0.21 -1.26 -0.29 119.66 125.35 3gtm s GLN 589 Ca 0.04 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 54.71 3gtm s GLN 589 Cb -0.13 -2.55 0.00 0.00 1.00 0.00 0.00 33.01 31.33 3gtm s GLN 589 CO -0.07 0.29 0.00 -2.13 -2.12 0.00 0.00 175.29 171.26 3gtm n ARG 590 N 3.30 0.00 -2.28 2.91 0.63 -0.28 -4.98 116.66 115.96 3gtm n ARG 590 Ca -0.18 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.72 3gtm n ARG 590 Cb 0.53 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.41 3gtm n ARG 590 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3gtm n PHE 591 N -1.24 -3.09 0.00 -0.14 3.01 -1.26 -4.90 117.46 109.84 3gtm n PHE 591 Ca 0.00 1.73 0.00 0.00 1.01 0.00 0.00 57.45 60.19 3gtm n PHE 591 Cb 0.00 -3.22 0.00 0.00 -0.01 0.00 0.00 39.48 36.25 3gtm n PHE 591 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3gtm n ASP 592 N 1.06 0.00 0.11 4.37 8.00 -1.26 -4.92 116.55 123.91 3gtm n ASP 592 Ca -0.24 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.21 3gtm n ASP 592 Cb 0.38 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 3gtm n ASP 592 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3gtm h GLU 593 N 0.00 -0.30 -0.97 -1.24 5.08 -1.98 -3.36 114.58 111.81 3gtm h GLU 593 Ca 0.00 0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.73 3gtm h GLU 593 Cb 0.00 0.07 -0.30 0.00 0.50 0.00 0.00 28.75 29.02 3gtm h GLU 593 CO 0.00 -0.20 0.73 0.41 -1.00 0.00 0.00 179.01 178.95 3gtm n GLY 594 N 0.19 5.78 3.71 -3.84 0.00 -1.26 -4.96 105.19 104.80 3gtm n GLY 594 Ca -0.04 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.38 3gtm n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gtm s THR 595 N -4.65 5.11 -0.00 2.61 2.01 -1.26 -4.57 115.64 114.89 3gtm s THR 595 Ca 0.63 1.15 -0.05 0.00 0.31 0.00 0.00 61.69 63.72 3gtm s THR 595 Cb 0.50 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 3gtm s THR 595 CO 0.00 0.26 0.10 0.42 -0.69 0.00 0.00 174.62 174.71 3gtm s THR 596 N 0.96 0.07 0.59 -0.82 -4.23 -1.26 -4.88 115.64 106.07 3gtm s THR 596 Ca 0.30 -0.60 0.11 0.00 -1.18 0.00 0.00 61.69 60.32 3gtm s THR 596 Cb -0.16 -0.35 0.11 0.00 1.34 0.00 0.00 72.50 73.44 3gtm s THR 596 CO 0.13 -0.33 1.29 -0.07 -0.54 0.00 0.00 174.62 175.10 3gtm h LEU 597 N 4.68 0.00 -4.59 4.79 4.07 -2.01 0.67 115.31 122.92 3gtm h LEU 597 Ca -0.30 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.09 3gtm h LEU 597 Cb 1.20 0.00 -0.42 0.00 1.08 0.00 0.00 40.66 42.52 3gtm h LEU 597 CO 0.41 0.00 -0.77 -0.11 -1.08 0.00 0.00 178.44 176.90 3gtm n LEU 598 N -2.53 4.44 -3.38 1.67 0.00 -1.26 -5.06 117.00 110.88 3gtm n LEU 598 Ca -0.01 -5.12 -0.46 0.00 0.00 0.00 0.00 56.01 50.42 3gtm n LEU 598 Cb 0.73 -0.39 -0.07 0.00 0.00 0.00 0.00 43.42 43.69 3gtm n LEU 598 CO 0.05 2.19 0.63 -1.54 0.00 0.00 0.00 177.39 178.72 3gtm n SER 599 N -0.44 0.44 -0.18 1.96 3.41 0.23 -4.83 113.62 114.22 3gtm n SER 599 Ca 0.36 0.86 0.13 0.00 -0.26 0.00 0.00 58.87 59.97 3gtm n SER 599 Cb 0.66 -0.66 0.48 0.00 -0.26 0.00 0.00 64.21 64.43 3gtm n SER 599 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3gtm n PRO 600 N 2.01 0.75 0.00 4.33 -0.04 -1.26 -3.86 135.00 136.93 3gtm n PRO 600 Ca 0.19 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 3gtm n PRO 600 Cb 0.01 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 3gtm n PRO 600 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3gtm n LYS 601 N -0.80 1.43 -1.79 0.54 5.02 -1.26 -4.99 118.16 116.30 3gtm n LYS 601 Ca 0.13 -1.01 -0.13 0.00 -2.02 0.00 0.00 58.31 55.28 3gtm n LYS 601 Cb 0.32 -0.87 -0.03 0.00 -0.02 0.00 0.00 35.03 34.43 3gtm n LYS 601 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gtm n ASP 602 N -0.27 -4.35 -4.68 4.39 -0.08 -1.25 -4.96 116.55 105.35 3gtm n ASP 602 Ca 0.00 0.16 -0.30 0.00 -1.51 0.00 0.00 54.79 53.15 3gtm n ASP 602 Cb 0.25 -3.26 0.16 0.00 2.34 0.00 0.00 41.12 40.61 3gtm n ASP 602 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 3gtm s ASN 603 N -2.65 2.97 0.70 1.67 0.01 -1.26 -2.33 114.94 114.05 3gtm s ASN 603 Ca 0.00 1.55 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 3gtm s ASN 603 Cb 0.00 -2.21 0.00 0.00 0.41 0.00 0.00 41.25 39.45 3gtm s ASN 603 CO 0.00 -2.96 0.00 0.61 -1.51 0.00 0.00 177.10 173.24 3gtm n GLY 604 N -0.68 1.49 3.64 0.66 0.00 -1.26 -4.39 105.19 104.65 3gtm n GLY 604 Ca 0.07 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 3gtm n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gtm s MET 605 N 0.00 0.31 -0.15 1.61 1.75 -1.26 -4.07 119.30 117.48 3gtm s MET 605 Ca 0.00 0.32 -0.01 0.00 -1.25 0.00 0.00 55.69 54.75 3gtm s MET 605 Cb 0.00 0.15 0.04 0.00 2.84 0.00 0.00 34.83 37.86 3gtm s MET 605 CO 0.00 -0.05 -0.02 -1.17 -0.65 0.00 0.00 175.02 173.13 3gtm s LEU 606 N -0.03 1.34 -0.24 4.11 2.96 -0.98 -1.13 118.68 124.71 3gtm s LEU 606 Ca 0.05 -0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3gtm s LEU 606 Cb -0.04 -0.76 0.03 0.00 0.50 0.00 0.00 46.19 45.92 3gtm s LEU 606 CO -0.09 -0.21 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.00 3gtm s ILE 607 N 1.74 2.59 -0.16 6.68 1.01 0.60 -1.93 121.20 131.73 3gtm s ILE 607 Ca 0.01 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 59.50 3gtm s ILE 607 Cb -0.15 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 39.99 3gtm s ILE 607 CO -0.07 0.19 -0.18 -0.63 0.00 0.00 0.00 174.94 174.24 3gtm s ILE 608 N 1.27 2.37 -0.96 2.92 1.01 -0.99 -0.71 121.20 126.11 3gtm s ILE 608 Ca -0.01 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 3gtm s ILE 608 Cb -0.17 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 3gtm s ILE 608 CO -0.06 0.53 0.82 -0.67 0.00 0.00 0.00 174.94 175.56 3gtm n ASP 609 N 4.23 -6.71 -4.32 3.58 2.03 -0.09 -2.88 116.55 112.38 3gtm n ASP 609 Ca -0.20 -0.58 -0.35 0.00 0.52 0.00 0.00 54.79 54.18 3gtm n ASP 609 Cb 0.51 -4.81 -0.07 0.00 -0.72 0.00 0.00 41.12 36.04 3gtm n ASP 609 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gtm n GLY 610 N -1.48 -0.30 2.92 0.27 0.00 -1.16 -4.58 105.19 100.85 3gtm n GLY 610 Ca -0.06 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3gtm n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtm s GLN 611 N -7.12 0.08 0.25 1.61 -1.52 -1.14 -4.72 119.66 107.10 3gtm s GLN 611 Ca 0.44 0.26 -0.30 0.00 -1.95 0.00 0.00 55.36 53.81 3gtm s GLN 611 Cb -0.25 -0.11 -0.09 0.00 -0.22 0.00 0.00 33.01 32.34 3gtm s GLN 611 CO 0.98 -0.11 1.11 0.42 -0.25 0.00 0.00 175.29 177.43 3gtm s ILE 612 N 0.75 3.57 -0.03 1.08 1.01 -1.26 -2.33 121.20 123.99 3gtm s ILE 612 Ca -0.06 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3gtm s ILE 612 Cb -0.08 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 3gtm s ILE 612 CO -0.03 0.33 -0.02 -0.38 0.00 0.00 0.00 174.94 174.83 3gtm n ILE 613 N 1.57 0.18 -3.55 2.92 5.41 -0.81 -4.92 119.36 120.16 3gtm n ILE 613 Ca 0.00 -0.07 -0.11 0.00 1.00 0.00 0.00 62.75 63.57 3gtm n ILE 613 Cb 0.45 -0.65 -0.04 0.00 -0.71 0.00 0.00 39.64 38.69 3gtm n ILE 613 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3gtm s PHE 614 N -2.06 -0.40 0.00 1.39 -0.12 -1.25 -5.02 117.98 110.52 3gtm s PHE 614 Ca -0.04 0.58 0.00 0.00 -0.05 0.00 0.00 56.93 57.42 3gtm s PHE 614 Cb 0.01 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 3gtm s PHE 614 CO 0.08 -0.44 0.00 0.41 -0.05 0.00 0.00 175.22 175.22 3gtm n GLY 615 N 0.47 2.70 3.72 1.99 0.00 -1.26 -2.33 105.19 110.48 3gtm n GLY 615 Ca -0.11 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3gtm n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtm s VAL 616 N 0.00 3.89 0.03 1.61 1.01 -0.98 -4.89 120.40 121.06 3gtm s VAL 616 Ca 0.00 1.43 -0.28 0.00 0.00 0.00 0.00 61.98 63.12 3gtm s VAL 616 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 3gtm s VAL 616 CO 0.00 0.15 0.91 -0.69 0.00 0.00 0.00 175.10 175.47 3gtm s VAL 617 N 0.70 4.78 0.00 2.92 1.01 -1.26 -4.88 120.40 123.66 3gtm s VAL 617 Ca 0.57 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.47 3gtm s VAL 617 Cb -0.30 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.82 3gtm s VAL 617 CO 0.31 0.24 0.00 -1.84 0.00 0.00 0.00 175.10 173.82 3gtm n GLU 618 N 3.44 0.00 0.24 2.72 -0.00 -1.26 -3.42 120.64 122.36 3gtm n GLU 618 Ca 0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.03 3gtm n GLU 618 Cb 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 31.44 31.87 3gtm n GLU 618 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3gtm h LYS 619 N 0.00 -0.74 -1.09 3.44 3.64 -1.87 0.12 116.57 120.07 3gtm h LYS 619 Ca 0.00 0.05 0.30 0.00 -1.27 0.00 0.00 60.65 59.73 3gtm h LYS 619 Cb 0.00 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 31.89 3gtm h LYS 619 CO 0.00 -0.50 0.70 0.87 -2.27 0.00 0.00 179.45 178.25 3gtm h LYS 620 N -0.77 0.33 0.03 1.90 1.57 -1.93 1.17 116.57 118.86 3gtm h LYS 620 Ca -0.03 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.56 3gtm h LYS 620 Cb 0.69 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3gtm h LYS 620 CO -0.05 0.22 -0.88 1.15 -0.57 0.00 0.00 179.45 179.31 3gtm h THR 621 N 0.34 1.24 0.00 -0.16 2.02 -1.77 -3.41 112.91 111.16 3gtm h THR 621 Ca 0.64 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 65.53 3gtm h THR 621 Cb 1.71 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.85 3gtm h THR 621 CO -0.34 0.51 -0.78 0.55 0.37 0.00 0.00 175.52 175.83 3gtm n VAL 622 N -4.36 0.00 -1.32 3.16 3.14 0.36 0.48 118.33 119.77 3gtm n VAL 622 Ca -0.23 -0.21 -0.21 0.00 -2.96 0.00 0.00 64.34 60.73 3gtm n VAL 622 Cb 0.67 0.87 0.16 0.00 -1.06 0.00 0.00 33.84 34.48 3gtm n VAL 622 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gtm n GLY 623 N 1.38 -1.93 0.28 7.55 0.00 0.40 -3.68 105.19 109.18 3gtm n GLY 623 Ca 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3gtm n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtm n SER 624 N -3.90 0.29 -4.65 1.61 3.41 -1.26 -4.72 113.62 104.39 3gtm n SER 624 Ca 0.11 -1.02 -0.36 0.00 -0.26 0.00 0.00 58.87 57.34 3gtm n SER 624 Cb 0.41 -0.14 0.08 0.00 -0.26 0.00 0.00 64.21 64.30 3gtm n SER 624 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gtm n SER 625 N -0.08 0.97 -0.02 4.04 3.41 -1.26 -4.40 113.62 116.27 3gtm n SER 625 Ca 0.00 0.71 -0.13 0.00 -0.26 0.00 0.00 58.87 59.19 3gtm n SER 625 Cb 0.07 -1.45 -0.10 0.00 -0.26 0.00 0.00 64.21 62.46 3gtm n SER 625 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3gtm h ASN 626 N -0.07 -0.02 -1.17 4.04 -1.24 -1.90 -3.30 115.58 111.92 3gtm h ASN 626 Ca -0.48 -0.60 -0.67 0.00 0.71 0.00 0.00 56.30 55.26 3gtm h ASN 626 Cb 1.33 0.01 -0.15 0.00 0.73 0.00 0.00 38.32 40.24 3gtm h ASN 626 CO 0.49 0.60 1.72 0.61 -1.29 0.00 0.00 177.43 179.56 3gtm n GLY 627 N 0.60 4.98 0.00 1.57 0.00 -1.26 -4.68 105.19 106.40 3gtm n GLY 627 Ca -0.09 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3gtm n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtm n GLY 628 N 1.38 5.47 0.10 -0.02 0.00 -1.24 -4.90 105.19 105.99 3gtm n GLY 628 Ca 0.58 -2.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.30 3gtm n GLY 628 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gtm h LEU 629 N 0.00 0.35 -0.20 0.99 6.46 -0.28 -3.10 115.31 119.53 3gtm h LEU 629 Ca 0.00 -0.43 -0.07 0.00 -0.12 0.00 0.00 57.88 57.26 3gtm h LEU 629 Cb 0.00 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.81 3gtm h LEU 629 CO 0.00 1.35 -0.16 0.40 -0.62 0.00 0.00 178.44 179.40 3gtm h ILE 630 N 0.06 1.32 0.23 4.05 2.04 -1.84 -2.43 117.51 120.94 3gtm h ILE 630 Ca -0.17 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.40 3gtm h ILE 630 Cb 1.97 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 39.74 3gtm h ILE 630 CO 0.17 0.40 -0.38 -0.74 0.00 0.00 0.00 178.15 177.60 3gtm h HIS 631 N 0.15 -1.06 -0.01 1.37 2.76 -1.83 -2.82 115.15 113.71 3gtm h HIS 631 Ca 0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3gtm h HIS 631 Cb 0.69 0.43 -0.00 0.00 1.55 0.00 0.00 27.41 30.08 3gtm h HIS 631 CO 0.07 -0.51 -0.03 0.28 -1.30 0.00 0.00 177.93 176.45 3gtm h VAL 632 N -0.69 0.00 -0.58 5.26 2.07 -1.55 -2.37 116.25 118.39 3gtm h VAL 632 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3gtm h VAL 632 Cb 0.67 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3gtm h VAL 632 CO -0.16 0.00 0.68 0.58 0.02 0.00 0.00 177.57 178.69 3gtm h VAL 633 N -0.02 0.24 -0.03 2.57 2.07 -1.42 0.38 116.25 120.04 3gtm h VAL 633 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 3gtm h VAL 633 Cb 0.03 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3gtm h VAL 633 CO -0.02 0.00 -0.47 0.74 0.02 0.00 0.00 177.57 177.84 3gtm h THR 634 N 0.00 1.44 0.00 2.57 2.02 -1.17 -0.89 112.91 116.88 3gtm h THR 634 Ca 0.28 -1.95 -0.07 0.00 0.77 0.00 0.00 66.41 65.44 3gtm h THR 634 Cb 1.63 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 70.54 3gtm h THR 634 CO -0.00 0.56 -0.35 0.03 0.37 0.00 0.00 175.52 176.13 3gtm h ARG 635 N -0.15 0.00 0.00 6.66 2.47 -0.13 -2.55 114.38 120.68 3gtm h ARG 635 Ca -0.05 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.44 3gtm h ARG 635 Cb 1.17 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.45 3gtm h ARG 635 CO 0.09 0.35 -1.87 -1.91 0.56 0.00 0.00 179.97 177.19 3gtm n GLU 636 N -3.26 0.65 0.00 0.04 4.07 0.55 -4.72 120.64 117.96 3gtm n GLU 636 Ca 0.02 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 3gtm n GLU 636 Cb 0.62 -1.67 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 3gtm n GLU 636 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3gtm n LYS 637 N -2.78 2.49 0.00 5.31 4.76 -0.36 -5.03 118.16 122.55 3gtm n LYS 637 Ca -0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3gtm n LYS 637 Cb 0.95 -0.74 0.00 0.00 -1.84 0.00 0.00 35.03 33.39 3gtm n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gtm n GLY 638 N 1.47 2.69 0.20 0.72 0.00 -0.96 -4.55 105.19 104.76 3gtm n GLY 638 Ca 0.00 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.75 3gtm n GLY 638 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gtm h PRO 639 N 0.00 0.67 -0.18 1.61 0.13 -1.88 -1.93 132.00 130.43 3gtm h PRO 639 Ca 0.00 -0.66 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 3gtm h PRO 639 Cb 0.00 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 3gtm h PRO 639 CO 0.00 1.25 0.09 1.96 -0.23 0.00 0.00 178.00 181.07 3gtm h GLN 640 N 0.41 0.25 0.00 0.86 1.08 -1.94 -1.62 115.11 114.15 3gtm h GLN 640 Ca -0.09 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 3gtm h GLN 640 Cb 1.57 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.96 3gtm h GLN 640 CO 0.18 0.28 -0.02 0.28 -0.95 0.00 0.00 178.83 178.60 3gtm h VAL 641 N 0.16 0.05 0.12 -0.54 2.07 -1.80 -3.22 116.25 113.10 3gtm h VAL 641 Ca 0.06 -0.67 -0.35 0.00 0.82 0.00 0.00 66.70 66.56 3gtm h VAL 641 Cb 0.11 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3gtm h VAL 641 CO -0.01 0.02 -1.88 0.00 0.02 0.00 0.00 177.57 175.72 3gtm h ALA 643 N 0.22 1.41 0.00 0.00 0.00 -1.33 -0.36 119.26 119.20 3gtm h ALA 643 Ca -0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3gtm h ALA 643 Cb 2.05 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 3gtm h ALA 643 CO 0.11 0.52 -0.15 -0.22 0.00 0.00 0.00 179.25 179.51 3gtm h LYS 644 N 1.15 0.00 -0.57 0.00 3.64 -1.68 -2.55 116.57 116.55 3gtm h LYS 644 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3gtm h LYS 644 Cb -0.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3gtm h LYS 644 CO -0.09 0.15 0.36 1.25 -2.27 0.00 0.00 179.45 178.86 3gtm h LEU 645 N 0.00 0.67 0.11 5.20 5.85 -1.11 -2.18 115.31 123.85 3gtm h LEU 645 Ca -0.00 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3gtm h LEU 645 Cb 0.28 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3gtm h LEU 645 CO 0.02 0.51 -0.52 -0.26 -0.34 0.00 0.00 178.44 177.85 3gtm h PHE 646 N 0.77 -1.51 -1.00 1.25 -1.00 -1.38 -2.08 116.94 112.00 3gtm h PHE 646 Ca 0.21 0.04 0.17 0.00 2.81 0.00 0.00 57.97 61.20 3gtm h PHE 646 Cb -0.06 0.64 -0.10 0.00 3.61 0.00 0.00 35.95 40.05 3gtm h PHE 646 CO -0.03 -0.59 0.61 0.78 -1.61 0.00 0.00 178.31 177.47 3gtm h GLY 647 N -0.74 1.74 0.91 -1.45 0.00 -1.52 -0.16 103.07 101.86 3gtm h GLY 647 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3gtm h GLY 647 CO -0.29 -0.00 -0.27 3.43 0.00 0.00 0.00 176.54 179.40 3gtm h ASN 648 N 0.82 -0.64 -0.61 0.19 2.35 -1.01 0.27 115.58 116.95 3gtm h ASN 648 Ca 0.55 -0.02 0.10 0.00 -0.55 0.00 0.00 56.30 56.39 3gtm h ASN 648 Cb 0.78 0.17 -0.08 0.00 0.05 0.00 0.00 38.32 39.24 3gtm h ASN 648 CO -0.35 -0.39 0.21 0.40 -1.65 0.00 0.00 177.43 175.65 3gtm h ILE 649 N -0.86 0.74 0.00 2.81 2.04 -0.72 -2.64 117.51 118.89 3gtm h ILE 649 Ca -0.08 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3gtm h ILE 649 Cb 0.62 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3gtm h ILE 649 CO 0.13 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.35 3gtm n GLN 650 N -5.02 0.00 -0.53 2.37 6.02 -0.13 -1.70 117.38 118.38 3gtm n GLN 650 Ca 0.09 0.45 0.43 0.00 -0.01 0.00 0.00 57.00 57.96 3gtm n GLN 650 Cb 0.29 -1.43 0.72 0.00 1.02 0.00 0.00 30.24 30.84 3gtm n GLN 650 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3gtm h LYS 651 N 0.00 0.03 0.00 -1.09 1.57 -0.38 -0.57 116.57 116.13 3gtm h LYS 651 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3gtm h LYS 651 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3gtm h LYS 651 CO 0.00 0.02 -0.20 0.28 -0.57 0.00 0.00 179.45 178.98 3gtm h VAL 652 N 0.04 0.13 -0.59 0.50 2.07 -1.50 -3.23 116.25 113.67 3gtm h VAL 652 Ca 0.86 -1.11 0.10 0.00 0.82 0.00 0.00 66.70 67.37 3gtm h VAL 652 Cb 3.02 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 32.96 3gtm h VAL 652 CO -0.27 0.04 0.17 0.58 0.02 0.00 0.00 177.57 178.11 3gtm h VAL 653 N -1.00 0.71 -0.25 2.57 2.07 -0.42 -0.24 116.25 119.69 3gtm h VAL 653 Ca -0.01 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.46 3gtm h VAL 653 Cb 0.25 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 3gtm h VAL 653 CO -0.01 0.06 -0.24 0.78 0.02 0.00 0.00 177.57 178.18 3gtm h ASN 654 N 0.32 -0.78 -0.84 0.57 2.35 -1.34 -0.52 115.58 115.34 3gtm h ASN 654 Ca 0.30 0.14 0.12 0.00 -0.55 0.00 0.00 56.30 56.31 3gtm h ASN 654 Cb 0.41 0.37 -0.08 0.00 0.05 0.00 0.00 38.32 39.07 3gtm h ASN 654 CO -0.35 -0.28 0.46 0.15 -1.65 0.00 0.00 177.43 175.77 3gtm h PHE 655 N -0.25 0.83 0.49 1.19 3.57 -1.09 0.82 116.94 122.50 3gtm h PHE 655 Ca 0.14 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3gtm h PHE 655 Cb 0.46 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3gtm h PHE 655 CO -0.40 0.29 -0.24 2.35 -2.23 0.00 0.00 178.31 178.08 3gtm h TRP 656 N 0.73 -0.61 -0.74 0.41 7.01 -0.78 -3.16 115.95 118.81 3gtm h TRP 656 Ca 0.43 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.56 3gtm h TRP 656 Cb 0.48 0.20 -0.10 0.00 -2.10 0.00 0.00 29.16 27.64 3gtm h TRP 656 CO -0.07 -0.28 0.23 1.25 -2.79 0.00 0.00 178.44 176.78 3gtm h LEU 657 N -0.98 0.13 -1.56 0.65 5.85 -0.59 0.66 115.31 119.47 3gtm h LEU 657 Ca -0.07 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3gtm h LEU 657 Cb 0.60 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3gtm h LEU 657 CO 0.11 0.02 0.50 0.25 -0.34 0.00 0.00 178.44 178.98 3gtm h LEU 658 N 0.34 0.00 0.00 2.25 5.85 0.69 -0.33 115.31 124.11 3gtm h LEU 658 Ca 0.42 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.06 3gtm h LEU 658 Cb 0.68 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3gtm h LEU 658 CO -0.46 0.00 -1.38 1.41 -0.34 0.00 0.00 178.44 177.67 3gtm n HIS 659 N -2.87 0.00 -0.00 1.25 8.25 0.19 -4.71 115.22 117.33 3gtm n HIS 659 Ca -0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 3gtm n HIS 659 Cb 0.55 -0.25 -0.13 0.00 1.12 0.00 0.00 29.99 31.28 3gtm n HIS 659 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3gtm h ASN 660 N 0.00 0.30 -3.72 0.41 -1.24 0.55 -3.51 115.58 108.37 3gtm h ASN 660 Ca -0.11 -0.89 0.00 0.00 0.71 0.00 0.00 56.30 56.01 3gtm h ASN 660 Cb 1.02 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.98 3gtm h ASN 660 CO 0.01 1.17 0.00 0.61 -1.29 0.00 0.00 177.43 177.92 3gtm n GLY 661 N 1.41 -0.96 3.60 1.57 0.00 -0.24 -5.06 105.19 105.51 3gtm n GLY 661 Ca -0.11 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 3gtm n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gtm s PHE 662 N -2.68 -0.92 0.03 1.61 5.36 -1.26 -5.07 117.98 115.05 3gtm s PHE 662 Ca 0.00 1.97 0.00 0.00 -0.96 0.00 0.00 56.93 57.94 3gtm s PHE 662 Cb 0.00 0.47 -0.00 0.00 -0.34 0.00 0.00 43.02 43.15 3gtm s PHE 662 CO 0.00 -0.45 0.03 0.45 -1.46 0.00 0.00 175.22 173.79 3gtm n SER 663 N 3.69 -0.09 -3.64 6.13 2.88 -1.26 -5.18 113.62 116.15 3gtm n SER 663 Ca -0.18 -1.20 -0.08 0.00 -1.33 0.00 0.00 58.87 56.08 3gtm n SER 663 Cb 0.57 0.19 -0.07 0.00 -0.75 0.00 0.00 64.21 64.15 3gtm n SER 663 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3gtm s THR 664 N -2.25 0.00 0.26 2.46 2.01 -1.26 -4.71 115.64 112.15 3gtm s THR 664 Ca 0.03 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 3gtm s THR 664 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 3gtm s THR 664 CO 0.02 0.00 0.27 -0.83 -0.69 0.00 0.00 174.62 173.39 3gtm s GLY 665 N 0.92 1.55 0.31 4.40 0.00 -1.26 -5.00 107.32 108.23 3gtm s GLY 665 Ca -0.04 -1.65 0.20 0.00 0.00 0.00 0.00 44.72 43.22 3gtm s GLY 665 CO -0.10 -1.25 1.59 0.29 0.00 0.00 0.00 173.10 173.63 3gtm n ILE 666 N -0.42 1.03 0.29 0.90 -6.64 -1.26 -0.26 119.36 113.00 3gtm n ILE 666 Ca 0.03 0.73 0.19 0.00 -1.77 0.00 0.00 62.75 61.92 3gtm n ILE 666 Cb 0.64 -1.73 0.81 0.00 -1.44 0.00 0.00 39.64 37.91 3gtm n ILE 666 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 3gtm h GLY 667 N 0.00 0.00 -1.76 3.28 0.00 -1.97 -2.65 103.07 99.97 3gtm h GLY 667 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gtm h GLY 667 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 3gtm n ASP 668 N -3.09 2.52 -2.32 0.19 8.00 0.64 -3.56 116.55 118.92 3gtm n ASP 668 Ca -0.00 -2.27 -0.00 0.00 0.71 0.00 0.00 54.79 53.22 3gtm n ASP 668 Cb 0.25 -0.48 0.05 0.00 -0.02 0.00 0.00 41.12 40.92 3gtm n ASP 668 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3gtm n THR 669 N 0.26 0.57 -3.94 -3.53 -2.24 -1.00 -4.70 114.28 99.70 3gtm n THR 669 Ca 0.10 -1.76 -0.30 0.00 -2.27 0.00 0.00 64.05 59.82 3gtm n THR 669 Cb 0.53 1.09 -0.16 0.00 -2.10 0.00 0.00 70.33 69.69 3gtm n THR 669 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gtm s ILE 670 N -1.69 1.53 0.83 2.28 1.01 -1.23 -4.59 121.20 119.34 3gtm s ILE 670 Ca 0.21 -1.19 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 3gtm s ILE 670 Cb 0.33 -1.78 0.17 0.00 0.01 0.00 0.00 42.46 41.19 3gtm s ILE 670 CO -0.08 -0.07 1.14 0.00 0.00 0.00 0.00 174.94 175.93 3gtm s ALA 671 N 1.40 3.11 1.13 9.38 0.00 -1.26 -5.06 121.76 130.47 3gtm s ALA 671 Ca -0.05 -1.58 -0.18 0.00 0.00 0.00 0.00 51.96 50.14 3gtm s ALA 671 Cb -0.19 -2.29 0.13 0.00 0.00 0.00 0.00 23.12 20.78 3gtm s ALA 671 CO -0.06 -1.91 0.11 -0.25 0.00 0.00 0.00 175.76 173.64 3gtm n ASP 672 N -3.24 -2.44 0.02 0.00 9.92 -1.26 -4.76 116.55 114.80 3gtm n ASP 672 Ca 0.16 -0.18 -0.12 0.00 -0.53 0.00 0.00 54.79 54.11 3gtm n ASP 672 Cb 0.60 -0.96 -0.09 0.00 -0.64 0.00 0.00 41.12 40.03 3gtm n ASP 672 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3gtm h GLY 673 N -2.22 -0.12 0.89 0.44 0.00 -2.00 -2.78 103.07 97.28 3gtm h GLY 673 Ca -0.52 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3gtm h GLY 673 CO 0.37 -0.04 0.03 -0.56 0.00 0.00 0.00 176.54 176.34 3gtm h PRO 674 N -0.66 0.52 -0.96 4.80 0.13 -1.99 -2.90 132.00 130.94 3gtm h PRO 674 Ca -0.01 -0.15 0.03 0.00 -0.87 0.00 0.00 66.00 65.00 3gtm h PRO 674 Cb 0.53 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.55 3gtm h PRO 674 CO 0.02 0.63 0.63 1.15 -0.23 0.00 0.00 178.00 180.20 3gtm h THR 675 N 0.33 1.18 -0.28 1.56 2.02 -1.93 0.33 112.91 116.13 3gtm h THR 675 Ca 0.09 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 3gtm h THR 675 Cb 0.38 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 3gtm h THR 675 CO 0.01 0.22 -0.06 0.24 0.37 0.00 0.00 175.52 176.31 3gtm h MET 676 N 1.23 0.53 -0.71 6.66 2.86 -1.49 -1.04 114.93 122.97 3gtm h MET 676 Ca 0.38 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3gtm h MET 676 Cb -0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3gtm h MET 676 CO -0.11 0.73 0.26 -0.09 1.06 0.00 0.00 176.91 178.76 3gtm h ARG 677 N 0.29 1.07 0.00 1.72 2.43 -1.23 -0.97 114.38 117.69 3gtm h ARG 677 Ca 0.07 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3gtm h ARG 677 Cb 0.52 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3gtm h ARG 677 CO 0.03 0.90 0.00 1.49 -1.51 0.00 0.00 179.97 180.87 3gtm h GLU 678 N 1.02 0.00 0.00 0.20 4.81 -0.20 0.20 114.58 120.61 3gtm h GLU 678 Ca 0.23 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3gtm h GLU 678 Cb 0.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3gtm h GLU 678 CO -0.02 0.00 -0.09 0.82 -0.73 0.00 0.00 179.01 179.00 3gtm h ILE 679 N 0.00 1.13 0.00 2.32 2.04 -0.29 -3.09 117.51 119.62 3gtm h ILE 679 Ca 0.00 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 63.98 3gtm h ILE 679 Cb 0.27 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3gtm h ILE 679 CO 0.00 0.38 -0.04 0.74 0.00 0.00 0.00 178.15 179.23 3gtm h THR 680 N -1.00 0.40 -0.04 -0.27 2.02 -0.74 0.19 112.91 113.47 3gtm h THR 680 Ca -0.02 -0.22 -0.22 0.00 0.77 0.00 0.00 66.41 66.72 3gtm h THR 680 Cb 0.69 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3gtm h THR 680 CO -0.01 0.04 -0.88 1.05 0.37 0.00 0.00 175.52 176.09 3gtm h GLU 681 N 0.00 0.49 0.00 6.66 4.11 -0.75 -2.34 114.58 122.76 3gtm h GLU 681 Ca -0.00 -0.48 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3gtm h GLU 681 Cb 0.15 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3gtm h GLU 681 CO 0.01 1.12 0.00 1.15 0.07 0.00 0.00 179.01 181.36 3gtm h THR 682 N 0.30 0.00 0.00 -1.06 2.02 -0.61 -1.21 112.91 112.35 3gtm h THR 682 Ca -0.07 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.20 3gtm h THR 682 Cb 1.51 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 3gtm h THR 682 CO 0.16 0.00 -0.51 0.40 0.37 0.00 0.00 175.52 175.94 3gtm h ILE 683 N 0.00 0.00 -0.02 3.11 2.04 -1.15 -3.03 117.51 118.46 3gtm h ILE 683 Ca 0.00 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 3gtm h ILE 683 Cb 0.91 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 3gtm h ILE 683 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.06 3gtm h ALA 684 N 2.16 0.04 0.00 1.87 0.00 -0.68 -2.24 119.26 120.42 3gtm h ALA 684 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gtm h ALA 684 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3gtm h ALA 684 CO 0.00 -0.07 0.00 1.05 0.00 0.00 0.00 179.25 180.23 3gtm h GLU 685 N -0.50 0.00 0.00 0.00 4.11 -1.46 -2.44 114.58 114.29 3gtm h GLU 685 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3gtm h GLU 685 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3gtm h GLU 685 CO 0.02 0.00 -0.15 0.00 0.07 0.00 0.00 179.01 178.94 3gtm h ALA 686 N 2.17 0.92 0.13 1.06 0.00 -1.45 -2.40 119.26 119.69 3gtm h ALA 686 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 3gtm h ALA 686 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3gtm h ALA 686 CO 0.00 0.00 -1.66 0.87 0.00 0.00 0.00 179.25 178.46 3gtm h LYS 687 N 0.00 0.28 0.00 0.00 1.57 -0.93 -3.24 116.57 114.25 3gtm h LYS 687 Ca 0.00 -0.48 -0.07 0.00 -1.87 0.00 0.00 60.65 58.23 3gtm h LYS 687 Cb 0.94 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3gtm h LYS 687 CO 0.00 1.23 -0.34 0.87 -0.57 0.00 0.00 179.45 180.64 3gtm h LYS 688 N -0.13 0.00 -0.04 3.15 1.57 -1.56 0.18 116.57 119.73 3gtm h LYS 688 Ca -0.35 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 3gtm h LYS 688 Cb 1.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.21 3gtm h LYS 688 CO 0.08 0.34 -0.20 -0.22 -0.57 0.00 0.00 179.45 178.88 3gtm h LYS 689 N 0.00 0.07 0.04 3.15 3.64 -1.56 -1.23 116.57 120.67 3gtm h LYS 689 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3gtm h LYS 689 Cb 0.69 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3gtm h LYS 689 CO 0.04 0.27 -0.02 0.28 -2.27 0.00 0.00 179.45 177.75 3gtm h VAL 690 N 0.06 1.22 -0.58 2.00 2.07 -1.11 -3.21 116.25 116.70 3gtm h VAL 690 Ca 0.01 -1.70 0.12 0.00 0.82 0.00 0.00 66.70 65.94 3gtm h VAL 690 Cb 0.39 2.22 -0.09 0.00 -1.52 0.00 0.00 31.29 32.29 3gtm h VAL 690 CO 0.03 0.38 0.04 0.25 0.02 0.00 0.00 177.57 178.28 3gtm h LEU 691 N -0.91 -0.18 0.28 2.57 5.85 -0.62 -2.09 115.31 120.20 3gtm h LEU 691 Ca -0.01 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3gtm h LEU 691 Cb 0.66 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3gtm h LEU 691 CO 0.01 -0.07 -0.15 0.44 -0.34 0.00 0.00 178.44 178.33 3gtm h ASP 692 N 0.15 -0.36 -0.01 1.25 3.32 -1.37 0.10 116.42 119.51 3gtm h ASP 692 Ca 0.30 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3gtm h ASP 692 Cb 0.47 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3gtm h ASP 692 CO -0.46 -0.25 -0.06 0.52 -1.72 0.00 0.00 179.24 177.27 3gtm n VAL 693 N -5.27 2.16 0.00 -1.35 0.31 -0.94 -0.50 118.33 112.75 3gtm n VAL 693 Ca -0.10 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 3gtm n VAL 693 Cb 0.19 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 3gtm n VAL 693 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3gtm n THR 694 N 1.64 0.00 0.12 2.52 -1.04 -0.10 -4.63 114.28 112.80 3gtm n THR 694 Ca 0.07 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.86 3gtm n THR 694 Cb 0.56 -0.31 -0.15 0.00 -1.82 0.00 0.00 70.33 68.62 3gtm n THR 694 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3gtm h LYS 695 N 0.00 0.45 -0.56 -2.82 1.57 -0.15 -2.85 116.57 112.21 3gtm h LYS 695 Ca 0.00 -0.76 0.11 0.00 -1.87 0.00 0.00 60.65 58.13 3gtm h LYS 695 Cb 0.33 0.28 -0.10 0.00 0.08 0.00 0.00 32.23 32.83 3gtm h LYS 695 CO 0.00 1.36 -0.03 1.49 -0.57 0.00 0.00 179.45 181.70 3gtm h GLU 696 N 0.12 0.08 0.00 3.15 4.57 -1.05 0.12 114.58 121.57 3gtm h GLU 696 Ca -0.24 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 3gtm h GLU 696 Cb 2.11 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.68 3gtm h GLU 696 CO 0.24 0.06 0.00 0.00 -1.18 0.00 0.00 179.01 178.13 3gtm h ALA 697 N 1.52 1.00 0.00 2.92 0.00 -1.81 -1.28 119.26 121.61 3gtm h ALA 697 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3gtm h ALA 697 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3gtm h ALA 697 CO -0.50 0.00 -1.43 1.04 0.00 0.00 0.00 179.25 178.36 3gtm n GLN 698 N -2.78 0.63 -0.56 0.00 6.02 -0.16 -3.62 117.38 116.91 3gtm n GLN 698 Ca 0.02 0.03 0.07 0.00 -0.01 0.00 0.00 57.00 57.12 3gtm n GLN 698 Cb 0.35 -1.72 0.30 0.00 1.02 0.00 0.00 30.24 30.19 3gtm n GLN 698 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gtm n ALA 699 N -2.26 3.15 -3.84 -1.58 0.00 0.24 -4.93 120.51 111.29 3gtm n ALA 699 Ca -0.04 -1.35 -0.25 0.00 0.00 0.00 0.00 53.44 51.81 3gtm n ALA 699 Cb 0.63 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 19.04 3gtm n ALA 699 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gtm n ASN 700 N 0.79 -1.48 -0.15 0.00 4.05 -1.17 -4.88 115.26 112.42 3gtm n ASN 700 Ca 0.21 -0.89 0.04 0.00 0.45 0.00 0.00 54.58 54.40 3gtm n ASN 700 Cb 0.82 -3.63 -0.01 0.00 1.23 0.00 0.00 39.78 38.18 3gtm n ASN 700 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3gtm n LEU 701 N -4.38 0.96 -4.77 1.20 4.77 -0.49 -5.03 117.00 109.26 3gtm n LEU 701 Ca -0.24 -0.72 -0.41 0.00 -0.03 0.00 0.00 56.01 54.62 3gtm n LEU 701 Cb 0.65 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 3gtm n LEU 701 CO 0.72 0.20 1.02 -0.76 -1.33 0.00 0.00 177.39 177.25 3gtm s LEU 702 N -1.66 4.40 0.56 2.23 1.43 -1.23 -4.97 118.68 119.44 3gtm s LEU 702 Ca 0.06 2.75 -0.13 0.00 -1.03 0.00 0.00 54.13 55.79 3gtm s LEU 702 Cb 0.07 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.58 3gtm s LEU 702 CO 0.23 -0.62 0.98 -0.89 0.23 0.00 0.00 176.35 176.28 3gtm s THR 703 N -1.00 4.66 0.14 5.49 2.01 -1.26 -5.00 115.64 120.68 3gtm s THR 703 Ca 0.51 0.95 0.10 0.00 0.31 0.00 0.00 61.69 63.55 3gtm s THR 703 Cb -0.41 -3.80 -0.11 0.00 0.01 0.00 0.00 72.50 68.19 3gtm s THR 703 CO 0.54 -0.91 1.42 0.00 -0.69 0.00 0.00 174.62 174.98 3gtm h ALA 704 N 0.29 0.61 -2.32 7.40 0.00 -1.95 -3.46 119.26 119.83 3gtm h ALA 704 Ca -0.45 -0.73 0.06 0.00 0.00 0.00 0.00 54.91 53.79 3gtm h ALA 704 Cb 1.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3gtm h ALA 704 CO 0.62 1.00 -0.67 1.63 0.00 0.00 0.00 179.25 181.83 3gtm n LYS 705 N -3.48 -2.47 0.28 0.00 4.76 -1.26 -3.99 118.16 111.99 3gtm n LYS 705 Ca -0.00 1.95 0.16 0.00 -2.87 0.00 0.00 58.31 57.54 3gtm n LYS 705 Cb 0.80 -2.52 0.76 0.00 -1.84 0.00 0.00 35.03 32.23 3gtm n LYS 705 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3gtm h HIS 706 N -0.17 0.00 0.00 2.13 3.86 -2.01 -3.13 115.15 115.83 3gtm h HIS 706 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3gtm h HIS 706 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 3gtm h HIS 706 CO 0.04 0.07 0.00 0.41 0.86 0.00 0.00 177.93 179.31 3gtm n GLY 707 N -0.34 1.62 1.70 2.45 0.00 -1.26 -4.95 105.19 104.41 3gtm n GLY 707 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3gtm n GLY 707 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gtm n MET 708 N 0.50 -4.70 -1.98 1.61 2.81 -1.18 -4.66 117.12 109.51 3gtm n MET 708 Ca 0.00 3.55 0.00 0.00 -1.81 0.00 0.00 57.70 59.44 3gtm n MET 708 Cb 0.39 -4.15 0.00 0.00 -0.71 0.00 0.00 33.22 28.74 3gtm n MET 708 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3gtm n THR 709 N -1.53-10.44 -0.25 2.03 -1.04 -1.26 -3.80 114.28 98.00 3gtm n THR 709 Ca 0.00 2.65 0.03 0.00 -2.04 0.00 0.00 64.05 64.68 3gtm n THR 709 Cb 0.18 -4.38 0.15 0.00 -1.82 0.00 0.00 70.33 64.47 3gtm n THR 709 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3gtm h LEU 710 N 4.13 0.40 -1.18 -4.42 4.07 -1.89 0.36 115.31 116.78 3gtm h LEU 710 Ca 0.00 0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 3gtm h LEU 710 Cb 0.00 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3gtm h LEU 710 CO 0.00 0.21 -0.16 0.03 -1.08 0.00 0.00 178.44 177.44 3gtm h ARG 711 N 0.55 0.37 0.00 1.13 3.08 -1.96 0.28 114.38 117.83 3gtm h ARG 711 Ca 0.37 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 60.17 3gtm h ARG 711 Cb 0.46 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3gtm h ARG 711 CO -0.31 0.53 -0.72 0.93 -1.07 0.00 0.00 179.97 179.33 3gtm h GLU 712 N 0.34 0.00 -0.00 0.04 5.08 -1.25 -2.99 114.58 115.80 3gtm h GLU 712 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gtm h GLU 712 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3gtm h GLU 712 CO 0.03 0.72 -0.18 0.43 -1.00 0.00 0.00 179.01 179.01 3gtm n SER 713 N -3.68 0.64 0.06 1.42 7.64 0.11 -1.66 113.62 118.14 3gtm n SER 713 Ca -0.01 -0.61 -0.21 0.00 1.01 0.00 0.00 58.87 59.05 3gtm n SER 713 Cb 0.70 -0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.76 3gtm n SER 713 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3gtm h PHE 714 N 0.72 0.60 -0.02 1.43 3.57 -0.89 -3.18 116.94 119.17 3gtm h PHE 714 Ca 0.00 -0.44 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 3gtm h PHE 714 Cb 0.42 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 3gtm h PHE 714 CO 0.00 1.60 -0.02 0.93 -2.23 0.00 0.00 178.31 178.60 3gtm h GLU 715 N 0.09 0.05 -0.50 1.11 4.39 -1.41 -0.97 114.58 117.34 3gtm h GLU 715 Ca -0.33 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.44 3gtm h GLU 715 Cb 2.07 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 30.62 3gtm h GLU 715 CO 0.16 0.49 -0.30 0.22 -1.16 0.00 0.00 179.01 178.41 3gtm h ASP 716 N -0.39 -1.04 -0.73 1.42 -0.00 -1.50 -0.33 116.42 113.86 3gtm h ASP 716 Ca 0.00 0.20 0.06 0.00 -0.00 0.00 0.00 57.03 57.30 3gtm h ASP 716 Cb 0.48 0.51 -0.06 0.00 -0.00 0.00 0.00 39.33 40.26 3gtm h ASP 716 CO 0.00 -0.30 0.42 0.78 -0.00 0.00 0.00 179.24 180.15 3gtm h ASN 717 N -0.19 0.64 0.10 2.28 4.21 -1.51 -2.53 115.58 118.58 3gtm h ASN 717 Ca 0.21 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.74 3gtm h ASN 717 Cb 0.53 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 3gtm h ASN 717 CO -0.60 0.41 -0.05 0.58 -1.29 0.00 0.00 177.43 176.47 3gtm h VAL 718 N 0.77 1.11 -0.70 2.81 2.07 -0.15 -3.00 116.25 119.16 3gtm h VAL 718 Ca 0.32 -1.12 0.12 0.00 0.82 0.00 0.00 66.70 66.85 3gtm h VAL 718 Cb 0.19 1.79 -0.09 0.00 -1.52 0.00 0.00 31.29 31.66 3gtm h VAL 718 CO -0.18 0.26 0.27 0.58 0.02 0.00 0.00 177.57 178.51 3gtm h VAL 719 N -0.69 0.70 0.00 2.57 2.07 -1.12 0.32 116.25 120.10 3gtm h VAL 719 Ca -0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3gtm h VAL 719 Cb 0.53 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3gtm h VAL 719 CO 0.02 0.08 0.00 -1.14 0.02 0.00 0.00 177.57 176.55 3gtm n ARG 720 N -5.00 0.70 -0.10 1.57 0.63 -0.95 -0.57 116.66 112.93 3gtm n ARG 720 Ca 0.12 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.93 3gtm n ARG 720 Cb 0.36 -1.49 -0.13 0.00 0.45 0.00 0.00 32.46 31.66 3gtm n ARG 720 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3gtm n PHE 721 N -0.99 0.00 0.05 -0.14 0.99 0.06 -3.61 117.46 113.83 3gtm n PHE 721 Ca 0.16 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.44 3gtm n PHE 721 Cb 0.08 -0.91 -0.14 0.00 -1.00 0.00 0.00 39.48 37.51 3gtm n PHE 721 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3gtm h LEU 722 N 0.00 0.38 -0.84 4.37 3.38 -1.13 -1.32 115.31 120.14 3gtm h LEU 722 Ca -0.51 -0.59 -0.08 0.00 0.09 0.00 0.00 57.88 56.79 3gtm h LEU 722 Cb 1.98 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 3gtm h LEU 722 CO -0.02 1.50 0.00 0.78 0.09 0.00 0.00 178.44 180.79 3gtm h ASN 723 N 0.07 0.83 -0.13 -0.43 2.35 -1.08 0.30 115.58 117.49 3gtm h ASN 723 Ca -0.29 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.13 3gtm h ASN 723 Cb 2.03 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 40.16 3gtm h ASN 723 CO 0.14 0.90 -0.33 -0.08 -1.65 0.00 0.00 177.43 176.41 3gtm h GLU 724 N 0.80 0.63 -0.05 0.81 4.81 -1.62 -2.66 114.58 117.30 3gtm h GLU 724 Ca 0.15 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 3gtm h GLU 724 Cb 0.48 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3gtm h GLU 724 CO 0.02 0.88 -0.15 0.00 -0.73 0.00 0.00 179.01 179.03 3gtm h ALA 725 N 1.10 0.08 -0.94 2.92 0.00 -0.77 -2.79 119.26 118.86 3gtm h ALA 725 Ca 0.06 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.65 3gtm h ALA 725 Cb 0.83 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3gtm h ALA 725 CO 0.07 -0.00 0.61 -0.09 0.00 0.00 0.00 179.25 179.84 3gtm h ARG 726 N -0.36 1.11 -0.28 0.00 2.43 -0.46 -0.26 114.38 116.57 3gtm h ARG 726 Ca -0.00 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.92 3gtm h ARG 726 Cb 0.77 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3gtm h ARG 726 CO 0.03 0.74 -0.52 -0.44 -1.51 0.00 0.00 179.97 178.27 3gtm h ASP 727 N 1.14 0.89 0.38 -3.80 5.19 -1.49 -1.26 116.42 117.48 3gtm h ASP 727 Ca 0.39 -0.46 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 3gtm h ASP 727 Cb 0.08 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.33 3gtm h ASP 727 CO -0.13 1.24 -0.23 2.29 -3.12 0.00 0.00 179.24 179.29 3gtm n LYS 728 N -4.00 0.58 0.11 3.56 2.85 -1.06 -2.23 118.16 117.96 3gtm n LYS 728 Ca -0.04 -0.28 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 3gtm n LYS 728 Cb 0.61 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.48 3gtm n LYS 728 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gtm h ALA 729 N 3.49 0.62 -0.03 0.58 0.00 -0.77 -3.30 119.26 119.85 3gtm h ALA 729 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 3gtm h ALA 729 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3gtm h ALA 729 CO 0.00 0.78 -0.17 0.78 0.00 0.00 0.00 179.25 180.64 3gtm h GLY 730 N 3.46 0.18 2.00 0.00 0.00 -0.87 -3.21 103.07 104.62 3gtm h GLY 730 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3gtm h GLY 730 CO 0.07 0.24 0.00 0.54 0.00 0.00 0.00 176.54 177.39 3gtm n ARG 731 N -4.58 0.00 -0.07 4.80 1.74 -0.95 -0.02 116.66 117.58 3gtm n ARG 731 Ca -0.09 0.44 -0.08 0.00 -0.77 0.00 0.00 57.85 57.35 3gtm n ARG 731 Cb 0.44 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 3gtm n ARG 731 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3gtm h LEU 732 N 0.00 0.00 -0.69 0.55 3.38 -1.63 -3.21 115.31 113.72 3gtm h LEU 732 Ca 0.00 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 3gtm h LEU 732 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3gtm h LEU 732 CO 0.00 0.85 0.18 0.00 0.09 0.00 0.00 178.44 179.56 3gtm h ALA 733 N -0.65 0.90 -0.73 1.53 0.00 -1.46 -1.53 119.26 117.32 3gtm h ALA 733 Ca -0.06 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.73 3gtm h ALA 733 Cb 0.59 -0.26 -0.13 0.00 0.00 0.00 0.00 17.79 17.99 3gtm h ALA 733 CO -0.04 0.61 -0.39 1.49 0.00 0.00 0.00 179.25 180.93 3gtm h GLU 734 N 1.02 -0.12 0.03 0.00 4.57 -0.61 -2.60 114.58 116.87 3gtm h GLU 734 Ca 0.22 0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 58.19 3gtm h GLU 734 Cb 0.35 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3gtm h GLU 734 CO -0.00 -0.08 -0.97 0.28 -1.18 0.00 0.00 179.01 177.06 3gtm h VAL 735 N -0.12 1.51 0.00 0.32 2.07 -1.50 -2.97 116.25 115.56 3gtm h VAL 735 Ca 0.25 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3gtm h VAL 735 Cb 0.56 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3gtm h VAL 735 CO -0.79 0.81 0.03 -1.13 0.02 0.00 0.00 177.57 176.51 3gtm h ASN 736 N 0.10 0.00 -3.03 0.57 -0.73 -0.92 -3.42 115.58 108.15 3gtm h ASN 736 Ca -0.06 0.00 -0.56 0.00 1.87 0.00 0.00 56.30 57.55 3gtm h ASN 736 Cb 1.63 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 40.19 3gtm h ASN 736 CO 0.15 0.00 0.77 -0.76 -0.37 0.00 0.00 177.43 177.22 3gtm s LEU 737 N -5.88 4.23 1.32 0.34 1.43 -1.02 -4.87 118.68 114.23 3gtm s LEU 737 Ca -0.04 1.73 -0.22 0.00 -1.03 0.00 0.00 54.13 54.57 3gtm s LEU 737 Cb 0.12 -3.55 0.33 0.00 0.03 0.00 0.00 46.19 43.12 3gtm s LEU 737 CO 0.37 -0.65 1.04 -0.54 0.23 0.00 0.00 176.35 176.80 3gtm s LYS 738 N 2.72 -2.14 0.39 1.70 1.02 -1.26 -4.94 119.74 117.23 3gtm s LYS 738 Ca 0.54 -0.06 0.22 0.00 0.02 0.00 0.00 55.97 56.70 3gtm s LYS 738 Cb -0.23 -1.49 0.27 0.00 -0.52 0.00 0.00 37.83 35.86 3gtm s LYS 738 CO 0.18 -4.32 1.50 -0.44 -0.92 0.00 0.00 175.35 171.36 3gtm h ASP 739 N -3.01 0.00 -1.07 2.83 5.19 -1.97 -3.27 116.42 115.12 3gtm h ASP 739 Ca -0.43 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.40 3gtm h ASP 739 Cb 1.31 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.58 3gtm h ASP 739 CO 0.29 0.03 0.74 0.00 -3.12 0.00 0.00 179.24 177.17 3gtm n LEU 740 N -3.04 7.21 -4.15 1.55 -0.00 -1.26 -4.76 117.00 112.55 3gtm n LEU 740 Ca 0.03 -4.12 -0.34 0.00 -0.00 0.00 0.00 56.01 51.58 3gtm n LEU 740 Cb 0.55 -1.05 -0.14 0.00 -0.00 0.00 0.00 43.42 42.77 3gtm n LEU 740 CO 0.35 1.50 -0.40 0.21 -0.00 0.00 0.00 177.39 179.06 3gtm s ASN 741 N -0.89 4.61 0.25 1.45 2.47 -1.24 -5.03 114.94 116.57 3gtm s ASN 741 Ca 0.53 -1.20 -0.04 0.00 0.42 0.00 0.00 52.86 52.58 3gtm s ASN 741 Cb 0.41 -1.66 0.48 0.00 -1.45 0.00 0.00 41.25 39.03 3gtm s ASN 741 CO -0.12 -0.21 1.73 0.78 -3.72 0.00 0.00 177.10 175.56 3gtm h ASN 742 N 7.95 0.27 -0.57 -4.21 2.35 -1.89 0.52 115.58 120.01 3gtm h ASN 742 Ca -0.24 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3gtm h ASN 742 Cb 1.07 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 39.51 3gtm h ASN 742 CO 0.53 0.09 0.30 0.58 -1.65 0.00 0.00 177.43 177.28 3gtm h VAL 743 N 0.43 1.19 -0.09 2.81 2.07 -1.86 -1.07 116.25 119.74 3gtm h VAL 743 Ca 0.42 -0.50 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 3gtm h VAL 743 Cb 0.66 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3gtm h VAL 743 CO -0.42 0.21 -0.40 0.50 0.02 0.00 0.00 177.57 177.48 3gtm h LYS 744 N 0.76 0.19 -0.37 1.57 3.64 -1.38 -2.33 116.57 118.66 3gtm h LYS 744 Ca 0.20 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3gtm h LYS 744 Cb 0.06 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3gtm h LYS 744 CO -0.03 0.56 -0.06 1.96 -2.27 0.00 0.00 179.45 179.61 3gtm h GLN 745 N 0.16 0.62 -0.06 1.90 4.20 0.71 -2.44 115.11 120.21 3gtm h GLN 745 Ca 0.02 -0.17 -0.21 0.00 0.06 0.00 0.00 58.65 58.34 3gtm h GLN 745 Cb 0.78 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3gtm h GLN 745 CO 0.06 0.69 -0.83 0.52 -0.67 0.00 0.00 178.83 178.60 3gtm h MET 746 N 0.58 0.49 -0.77 1.46 2.86 -1.02 -2.80 114.93 115.73 3gtm h MET 746 Ca 0.11 -0.45 0.09 0.00 -2.06 0.00 0.00 59.70 57.39 3gtm h MET 746 Cb 0.46 0.11 -0.07 0.00 0.06 0.00 0.00 31.60 32.16 3gtm h MET 746 CO 0.02 1.09 0.42 0.28 1.06 0.00 0.00 176.91 179.78 3gtm h VAL 747 N 0.32 0.89 -0.04 -2.22 2.07 -1.10 -2.58 116.25 113.58 3gtm h VAL 747 Ca -0.06 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3gtm h VAL 747 Cb 1.44 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3gtm h VAL 747 CO 0.15 0.13 -0.04 0.24 0.02 0.00 0.00 177.57 178.07 3gtm h MET 748 N 0.71 0.10 0.00 1.57 2.07 -1.41 -3.19 114.93 114.78 3gtm h MET 748 Ca 0.37 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.95 3gtm h MET 748 Cb 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.09 3gtm h MET 748 CO -0.25 0.55 0.00 0.00 1.07 0.00 0.00 176.91 178.28 3gtm n ALA 749 N -2.36 2.14 0.00 6.32 0.00 -1.06 -4.78 120.51 120.76 3gtm n ALA 749 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3gtm n ALA 749 Cb 0.28 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3gtm n ALA 749 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtm n GLY 750 N 0.24 2.73 0.47 0.00 0.00 -0.99 -3.80 105.19 103.85 3gtm n GLY 750 Ca 0.12 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.51 3gtm n GLY 750 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtm n SER 751 N 0.46 0.04 0.00 1.61 3.41 -1.23 -4.73 113.62 113.19 3gtm n SER 751 Ca 0.00 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 3gtm n SER 751 Cb 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3gtm n SER 751 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gtm n LYS 752 N -3.58 -0.97 -1.54 4.33 4.76 -1.26 -4.12 118.16 115.79 3gtm n LYS 752 Ca 0.32 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.75 3gtm n LYS 752 Cb 1.38 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 34.57 3gtm n LYS 752 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gtm n GLY 753 N -0.21 -3.45 3.95 0.72 0.00 -1.26 -3.85 105.19 101.09 3gtm n GLY 753 Ca 0.00 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 3gtm n GLY 753 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtm s SER 754 N -0.14 5.35 0.39 1.61 1.04 -1.26 -4.30 113.70 116.39 3gtm s SER 754 Ca -0.04 0.30 0.10 0.00 0.48 0.00 0.00 55.95 56.80 3gtm s SER 754 Cb 0.00 -1.23 0.78 0.00 0.10 0.00 0.00 66.02 65.67 3gtm s SER 754 CO 0.10 -1.14 1.89 2.19 0.98 0.00 0.00 173.24 177.26 3gtm h PHE 755 N -0.06 0.18 -0.51 5.02 -5.15 -1.97 -2.00 116.94 112.45 3gtm h PHE 755 Ca -0.44 -0.02 0.01 0.00 -0.20 0.00 0.00 57.97 57.32 3gtm h PHE 755 Cb 1.28 -0.05 -0.03 0.00 0.22 0.00 0.00 35.95 37.38 3gtm h PHE 755 CO 0.40 0.36 0.34 0.82 -2.00 0.00 0.00 178.31 178.23 3gtm h ILE 756 N 0.16 1.11 -0.42 0.88 2.04 -1.98 0.12 117.51 119.42 3gtm h ILE 756 Ca 0.03 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3gtm h ILE 756 Cb 0.45 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3gtm h ILE 756 CO 0.03 0.12 0.28 0.78 0.00 0.00 0.00 178.15 179.36 3gtm h ASN 757 N 0.66 0.49 -0.08 1.72 2.35 -1.75 0.57 115.58 119.54 3gtm h ASN 757 Ca 0.19 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 3gtm h ASN 757 Cb -0.04 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 3gtm h ASN 757 CO -0.04 0.36 -0.05 0.40 -1.65 0.00 0.00 177.43 176.44 3gtm h ILE 758 N 0.57 1.34 0.21 2.81 2.04 -0.92 -2.88 117.51 120.70 3gtm h ILE 758 Ca 0.15 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3gtm h ILE 758 Cb -0.06 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3gtm h ILE 758 CO -0.03 0.31 -0.19 0.00 0.00 0.00 0.00 178.15 178.24 3gtm h ALA 759 N 0.60 -0.41 0.03 1.87 0.00 0.84 -2.06 119.26 120.14 3gtm h ALA 759 Ca 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gtm h ALA 759 Cb 0.52 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gtm h ALA 759 CO 0.01 -0.75 -0.02 1.96 0.00 0.00 0.00 179.25 180.46 3gtm h GLN 760 N -0.43 -0.04 0.42 0.00 4.20 -0.07 0.16 115.11 119.36 3gtm h GLN 760 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3gtm h GLN 760 Cb 0.40 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3gtm h GLN 760 CO -0.04 0.15 -0.46 0.52 -0.67 0.00 0.00 178.83 178.34 3gtm h MET 761 N -0.23 -0.86 0.00 1.46 2.86 -1.45 -2.90 114.93 113.81 3gtm h MET 761 Ca -0.00 0.06 -0.21 0.00 -2.06 0.00 0.00 59.70 57.48 3gtm h MET 761 Cb 0.21 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3gtm h MET 761 CO 0.01 -0.57 -1.31 0.77 1.06 0.00 0.00 176.91 176.86 3gtm h SER 762 N -0.89 0.00 0.00 1.22 0.02 -1.45 -2.39 113.55 110.06 3gtm h SER 762 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3gtm h SER 762 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3gtm h SER 762 CO -0.08 0.79 0.00 0.00 -1.14 0.00 0.00 176.83 176.40 3gtm n ALA 763 N -2.42 1.01 -3.57 3.77 0.00 0.42 -4.82 120.51 114.90 3gtm n ALA 763 Ca -0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.19 3gtm n ALA 763 Cb 0.92 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.33 3gtm n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtm h VAL 765 N 5.81 0.00 0.00 0.00 2.07 -1.27 -3.36 116.25 119.49 3gtm h VAL 765 Ca -0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3gtm h VAL 765 Cb 1.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3gtm h VAL 765 CO 0.10 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.30 3gtm n GLY 766 N -1.30 0.19 3.69 2.17 0.00 -0.46 -4.83 105.19 104.65 3gtm n GLY 766 Ca -0.05 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.32 3gtm n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gtm s GLN 767 N 0.00 4.31 0.17 1.61 2.00 -1.26 -0.86 119.66 125.62 3gtm s GLN 767 Ca 0.00 0.60 -0.07 0.00 -2.00 0.00 0.00 55.36 53.88 3gtm s GLN 767 Cb 0.00 -3.50 -0.06 0.00 0.80 0.00 0.00 33.01 30.25 3gtm s GLN 767 CO 0.00 -0.02 0.45 -0.65 -0.50 0.00 0.00 175.29 174.57 3gtm s GLN 768 N 1.19 3.72 0.05 1.67 1.11 -1.20 -4.99 119.66 121.20 3gtm s GLN 768 Ca 0.29 0.10 0.04 0.00 0.01 0.00 0.00 55.36 55.80 3gtm s GLN 768 Cb -0.16 -2.79 -0.02 0.00 -1.01 0.00 0.00 33.01 29.02 3gtm s GLN 768 CO 0.12 0.42 -0.12 -1.54 0.01 0.00 0.00 175.29 174.18 3gtm s SER 769 N -2.30 1.37 -0.14 5.90 1.04 -1.26 -4.28 113.70 114.02 3gtm s SER 769 Ca 0.42 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.36 3gtm s SER 769 Cb -0.12 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 65.97 3gtm s SER 769 CO 0.22 -0.07 -0.21 -0.69 0.98 0.00 0.00 173.24 173.48 3gtm s VAL 770 N -1.09 1.98 0.00 5.02 1.01 -0.72 -4.55 120.40 122.04 3gtm s VAL 770 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3gtm s VAL 770 Cb -0.09 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.53 3gtm s VAL 770 CO 0.01 0.53 0.00 -0.62 0.00 0.00 0.00 175.10 175.03 3gtm n GLU 771 N 4.18 0.00 0.00 2.72 1.02 -1.26 -2.37 120.64 124.93 3gtm n GLU 771 Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 3gtm n GLU 771 Cb 0.51 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 3gtm n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gtm n GLY 772 N -1.18 2.40 3.92 0.62 0.00 -1.26 -4.79 105.19 104.90 3gtm n GLY 772 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 3gtm n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gtm s LYS 773 N 0.00 3.55 1.15 1.61 1.02 -1.00 -4.97 119.74 121.10 3gtm s LYS 773 Ca 0.00 -0.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.64 3gtm s LYS 773 Cb 0.00 -2.72 0.24 0.00 -0.52 0.00 0.00 37.83 34.83 3gtm s LYS 773 CO 0.00 0.27 0.84 2.89 -0.92 0.00 0.00 175.35 178.43 3gtm n ARG 774 N -1.05 -2.15 -1.39 1.68 1.85 -1.26 -1.76 116.66 112.57 3gtm n ARG 774 Ca -0.04 -0.60 -0.38 0.00 -1.00 0.00 0.00 57.85 55.84 3gtm n ARG 774 Cb 0.54 -2.10 0.04 0.00 -1.05 0.00 0.00 32.46 29.90 3gtm n ARG 774 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3gtm n ILE 775 N -4.82 1.95 -2.85 8.89 2.08 -1.22 -4.65 119.36 118.74 3gtm n ILE 775 Ca 0.03 -0.47 -0.20 0.00 0.56 0.00 0.00 62.75 62.67 3gtm n ILE 775 Cb 0.55 -0.64 0.05 0.00 -0.75 0.00 0.00 39.64 38.85 3gtm n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gtm s ALA 776 N -1.79 4.27 -1.29 -1.39 0.00 -1.26 -4.94 121.76 115.36 3gtm s ALA 776 Ca 0.67 -1.72 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 3gtm s ALA 776 Cb -0.42 -1.76 0.15 0.00 0.00 0.00 0.00 23.12 21.09 3gtm s ALA 776 CO 0.57 -0.76 2.18 1.19 0.00 0.00 0.00 175.76 178.93 3gtm n PHE 777 N -2.25 2.68 0.29 0.00 0.99 -1.26 -4.46 117.46 113.45 3gtm n PHE 777 Ca 0.11 -2.79 0.02 0.00 -0.00 0.00 0.00 57.45 54.79 3gtm n PHE 777 Cb 0.60 -1.81 0.12 0.00 -1.00 0.00 0.00 39.48 37.39 3gtm n PHE 777 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gtm n GLY 778 N 1.92 -0.15 1.42 1.37 0.00 -1.21 -2.08 105.19 106.47 3gtm n GLY 778 Ca 0.54 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.42 3gtm n GLY 778 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gtm n PHE 779 N -0.95 1.58 -2.94 1.61 0.99 -0.34 -5.02 117.46 112.39 3gtm n PHE 779 Ca 0.03 -1.92 -0.07 0.00 -0.00 0.00 0.00 57.45 55.50 3gtm n PHE 779 Cb 0.01 -0.33 0.01 0.00 -1.00 0.00 0.00 39.48 38.17 3gtm n PHE 779 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3gtm n VAL 780 N -0.90 -8.93 -2.27 -4.37 0.31 -0.88 -3.81 118.33 97.48 3gtm n VAL 780 Ca 0.34 1.14 -0.13 0.00 -0.01 0.00 0.00 64.34 65.68 3gtm n VAL 780 Cb 0.85 -5.88 -0.01 0.00 -0.91 0.00 0.00 33.84 27.90 3gtm n VAL 780 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3gtm n ASP 781 N 0.46 -4.12 -3.61 4.52 8.00 -1.26 -4.97 116.55 115.57 3gtm n ASP 781 Ca 0.02 -0.02 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 3gtm n ASP 781 Cb 0.30 -3.30 -0.01 0.00 -0.02 0.00 0.00 41.12 38.09 3gtm n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtm s ARG 782 N -4.68 0.43 -0.27 -1.24 1.70 -1.25 -1.59 118.95 112.05 3gtm s ARG 782 Ca 0.01 -0.20 -0.07 0.00 -0.47 0.00 0.00 55.73 54.99 3gtm s ARG 782 Cb -0.00 0.17 -0.14 0.00 -0.57 0.00 0.00 34.95 34.40 3gtm s ARG 782 CO 0.01 -0.19 -0.30 0.25 -1.08 0.00 0.00 175.30 173.98 3gtm n THR 783 N -0.29 1.51 -4.24 4.99 -2.24 -1.26 -1.20 114.28 111.54 3gtm n THR 783 Ca -0.04 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 3gtm n THR 783 Cb 0.61 -1.68 -0.12 0.00 -2.10 0.00 0.00 70.33 67.04 3gtm n THR 783 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gtm s LEU 784 N -7.07 2.29 0.00 3.22 1.43 -1.26 -4.57 118.68 112.72 3gtm s LEU 784 Ca -0.37 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.08 3gtm s LEU 784 Cb 0.12 -0.72 0.03 0.00 0.03 0.00 0.00 46.19 45.65 3gtm s LEU 784 CO 0.54 0.00 0.87 -0.81 0.23 0.00 0.00 176.35 177.18 3gtm n PRO 785 N 1.19 0.01 0.12 1.29 -0.04 -1.26 -1.82 135.00 134.48 3gtm n PRO 785 Ca -0.20 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 3gtm n PRO 785 Cb 0.54 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.92 3gtm n PRO 785 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3gtm h HIS 786 N 0.00 0.00 -2.59 0.54 3.86 -2.01 -3.45 115.15 111.50 3gtm h HIS 786 Ca 0.00 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.63 3gtm h HIS 786 Cb 0.01 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.38 3gtm h HIS 786 CO 0.00 0.00 -0.63 -0.06 0.86 0.00 0.00 177.93 178.10 3gtm s PHE 787 N -3.16 2.87 0.91 2.45 0.40 -0.76 -5.12 117.98 115.57 3gtm s PHE 787 Ca 0.09 -0.15 -0.12 0.00 -0.60 0.00 0.00 56.93 56.16 3gtm s PHE 787 Cb 0.11 -1.34 0.14 0.00 0.51 0.00 0.00 43.02 42.44 3gtm s PHE 787 CO 0.56 0.55 1.10 -1.12 0.70 0.00 0.00 175.22 177.00 3gtm s SER 788 N -3.27 3.36 0.41 1.36 0.01 -1.26 -4.94 113.70 109.36 3gtm s SER 788 Ca 0.29 1.35 -0.24 0.00 1.31 0.00 0.00 55.95 58.66 3gtm s SER 788 Cb -0.08 -2.02 -0.09 0.00 0.21 0.00 0.00 66.02 64.04 3gtm s SER 788 CO 0.20 -2.69 1.07 -0.54 0.41 0.00 0.00 173.24 171.69 3gtm s LYS 789 N -4.99 4.11 -0.92 12.44 1.02 -1.26 -3.68 119.74 126.46 3gtm s LYS 789 Ca 0.64 1.57 0.00 0.00 0.02 0.00 0.00 55.97 58.20 3gtm s LYS 789 Cb -0.17 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 3gtm s LYS 789 CO 0.57 -0.20 0.00 -0.25 -0.92 0.00 0.00 175.35 174.54 3gtm n ASP 790 N -0.10 -3.54 -4.47 2.83 9.92 -0.62 -4.96 116.55 115.60 3gtm n ASP 790 Ca 0.05 -0.01 -0.43 0.00 -0.53 0.00 0.00 54.79 53.87 3gtm n ASP 790 Cb 0.49 -2.78 -0.03 0.00 -0.64 0.00 0.00 41.12 38.16 3gtm n ASP 790 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gtm s ASP 791 N -2.52 6.59 -0.12 -2.24 -1.08 -1.24 -4.86 116.67 111.21 3gtm s ASP 791 Ca 0.00 -1.89 0.08 0.00 -0.52 0.00 0.00 52.55 50.22 3gtm s ASP 791 Cb 0.00 -2.44 0.44 0.00 -1.46 0.00 0.00 42.92 39.46 3gtm s ASP 791 CO 0.00 -1.17 1.18 -1.22 0.52 0.00 0.00 175.17 174.49 3gtm n TYR 792 N 7.07 1.08 -3.43 -5.34 4.02 -1.26 -4.50 117.16 114.80 3gtm n TYR 792 Ca 0.25 -0.38 -0.25 0.00 -0.01 0.00 0.00 57.90 57.51 3gtm n TYR 792 Cb 0.49 -0.30 -0.02 0.00 -0.02 0.00 0.00 39.34 39.50 3gtm n TYR 792 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3gtm s SER 793 N -0.47 6.34 0.23 7.72 1.04 -1.26 -4.86 113.70 122.43 3gtm s SER 793 Ca 0.29 0.48 -0.16 0.00 0.48 0.00 0.00 55.95 57.05 3gtm s SER 793 Cb 0.22 -2.04 0.27 0.00 0.10 0.00 0.00 66.02 64.56 3gtm s SER 793 CO 0.09 -0.23 1.57 1.55 0.98 0.00 0.00 173.24 177.20 3gtm h PRO 794 N 1.12 -0.04 0.00 4.02 0.13 -1.94 -0.22 132.00 135.07 3gtm h PRO 794 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 3gtm h PRO 794 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3gtm h PRO 794 CO 0.63 -0.02 -0.27 0.93 -0.23 0.00 0.00 178.00 179.04 3gtm h GLU 795 N -0.04 0.00 0.08 0.86 3.07 -1.95 0.41 114.58 117.02 3gtm h GLU 795 Ca 0.35 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.92 3gtm h GLU 795 Cb 0.61 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.54 3gtm h GLU 795 CO -0.90 0.27 -1.18 1.03 -1.40 0.00 0.00 179.01 176.83 3gtm h SER 796 N 0.00 0.89 -0.38 1.42 0.87 -1.37 -3.29 113.55 111.70 3gtm h SER 796 Ca -0.00 -0.80 0.00 0.00 -1.23 0.00 0.00 61.79 59.76 3gtm h SER 796 Cb 0.69 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3gtm h SER 796 CO 0.03 1.59 0.00 0.29 -0.53 0.00 0.00 176.83 178.21 3gtm n LYS 797 N -3.82 2.86 -1.03 2.24 4.76 -0.58 -4.72 118.16 117.88 3gtm n LYS 797 Ca -0.13 -1.77 0.00 0.00 -2.87 0.00 0.00 58.31 53.54 3gtm n LYS 797 Cb 0.95 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3gtm n LYS 797 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gtm n GLY 798 N 0.66 1.15 3.54 0.72 0.00 -0.14 -3.44 105.19 107.68 3gtm n GLY 798 Ca 0.16 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 3gtm n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gtm s PHE 799 N -2.12 3.04 -0.26 1.61 5.36 0.13 -3.23 117.98 122.51 3gtm s PHE 799 Ca 0.00 0.16 -0.29 0.00 -0.96 0.00 0.00 56.93 55.84 3gtm s PHE 799 Cb 0.00 -3.48 0.01 0.00 -0.34 0.00 0.00 43.02 39.21 3gtm s PHE 799 CO 0.00 -0.88 1.10 0.08 -1.46 0.00 0.00 175.22 174.05 3gtm s VAL 800 N 3.06 4.53 -0.12 3.12 1.01 -0.04 -4.43 120.40 127.53 3gtm s VAL 800 Ca 0.27 1.82 0.17 0.00 0.00 0.00 0.00 61.98 64.24 3gtm s VAL 800 Cb -0.13 -4.30 -0.16 0.00 0.00 0.00 0.00 36.38 31.79 3gtm s VAL 800 CO 0.20 -0.30 0.73 1.21 0.00 0.00 0.00 175.10 176.94 3gtm n GLU 801 N 6.62 0.63 -2.32 2.72 2.13 -1.26 -1.36 120.64 127.80 3gtm n GLU 801 Ca 0.12 0.18 -0.32 0.00 0.66 0.00 0.00 57.16 57.80 3gtm n GLU 801 Cb 0.46 -1.76 -0.02 0.00 0.27 0.00 0.00 31.44 30.39 3gtm n GLU 801 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3gtm s ASN 802 N -5.68 6.36 0.25 4.31 0.01 -1.26 -4.50 114.94 114.44 3gtm s ASN 802 Ca -0.04 1.68 -0.15 0.00 -0.71 0.00 0.00 52.86 53.64 3gtm s ASN 802 Cb 0.09 -2.52 -0.08 0.00 0.41 0.00 0.00 41.25 39.14 3gtm s ASN 802 CO 0.82 -0.76 0.67 -0.94 -1.51 0.00 0.00 177.10 175.37 3gtm s SER 803 N -2.86 6.84 0.44 -1.22 1.04 -1.25 -1.21 113.70 115.48 3gtm s SER 803 Ca 0.61 1.22 0.25 0.00 0.48 0.00 0.00 55.95 58.52 3gtm s SER 803 Cb -0.12 -2.35 1.28 0.00 0.10 0.00 0.00 66.02 64.93 3gtm s SER 803 CO 0.31 -0.07 1.75 1.88 0.98 0.00 0.00 173.24 178.09 3gtm h TYR 804 N 2.84 0.47 -0.37 5.02 -1.99 -1.22 0.39 116.97 122.12 3gtm h TYR 804 Ca -0.48 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.22 3gtm h TYR 804 Cb 1.18 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.77 3gtm h TYR 804 CO 0.63 -0.00 0.05 1.25 -0.00 0.00 0.00 178.16 180.09 3gtm h LEU 805 N 0.24 0.59 -0.54 3.88 5.85 -1.78 -3.04 115.31 120.52 3gtm h LEU 805 Ca 0.63 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 3gtm h LEU 805 Cb 1.91 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 3gtm h LEU 805 CO -0.25 0.71 0.09 0.03 -0.34 0.00 0.00 178.44 178.68 3gtm h ARG 806 N 0.45 0.88 -0.05 1.25 3.08 -0.59 -3.49 114.38 115.91 3gtm h ARG 806 Ca 0.11 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3gtm h ARG 806 Cb 0.37 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3gtm h ARG 806 CO 0.01 0.86 0.00 0.41 -1.07 0.00 0.00 179.97 180.18 3gtm n GLY 807 N -0.55 0.98 3.59 0.04 0.00 -0.11 -4.98 105.19 104.16 3gtm n GLY 807 Ca 0.02 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 3gtm n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtm s LEU 808 N -0.07 1.92 0.25 0.99 1.02 -1.26 -4.90 118.68 116.63 3gtm s LEU 808 Ca 0.00 1.90 0.08 0.00 0.02 0.00 0.00 54.13 56.13 3gtm s LEU 808 Cb 0.00 -4.06 -0.04 0.00 0.02 0.00 0.00 46.19 42.11 3gtm s LEU 808 CO 0.00 -3.65 0.12 0.42 0.02 0.00 0.00 176.35 173.27 3gtm s THR 809 N -2.55 4.11 0.16 5.49 -4.23 -1.26 -4.85 115.64 112.51 3gtm s THR 809 Ca 0.68 -1.56 -0.27 0.00 -1.18 0.00 0.00 61.69 59.36 3gtm s THR 809 Cb -0.24 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.40 3gtm s THR 809 CO 0.61 -0.34 1.56 -0.65 -0.54 0.00 0.00 174.62 175.26 3gtm h PRO 810 N 1.68 -0.21 -0.52 3.99 0.11 -1.97 1.10 132.00 136.17 3gtm h PRO 810 Ca -0.47 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.75 3gtm h PRO 810 Cb 1.24 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.32 3gtm h PRO 810 CO 0.61 -0.14 0.04 1.96 -0.21 0.00 0.00 178.00 180.25 3gtm h GLN 811 N -0.22 0.16 0.06 1.05 7.50 -1.97 0.24 115.11 121.92 3gtm h GLN 811 Ca 0.17 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.30 3gtm h GLN 811 Cb 0.55 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.05 3gtm h GLN 811 CO -0.72 0.10 -0.03 0.93 -1.50 0.00 0.00 178.83 177.62 3gtm h GLU 812 N 0.16 -0.07 -0.53 1.46 5.08 -0.83 -0.16 114.58 119.68 3gtm h GLU 812 Ca 0.27 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 3gtm h GLU 812 Cb 0.40 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 3gtm h GLU 812 CO -0.41 -0.05 0.04 0.35 -1.00 0.00 0.00 179.01 177.95 3gtm h PHE 813 N -0.08 0.05 0.13 4.33 3.57 0.23 0.17 116.94 125.35 3gtm h PHE 813 Ca -0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3gtm h PHE 813 Cb 0.06 0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3gtm h PHE 813 CO -0.08 -0.08 -0.06 0.35 -2.23 0.00 0.00 178.31 176.20 3gtm h PHE 814 N 0.16 -0.17 0.00 0.41 3.57 -0.43 -1.00 116.94 119.49 3gtm h PHE 814 Ca 0.27 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3gtm h PHE 814 Cb 0.41 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3gtm h PHE 814 CO -0.29 0.23 0.00 0.74 -2.23 0.00 0.00 178.31 176.76 3gtm h PHE 815 N -0.61 0.00 0.06 0.41 0.05 -0.74 0.73 116.94 116.83 3gtm h PHE 815 Ca -0.02 0.00 -0.29 0.00 3.82 0.00 0.00 57.97 61.48 3gtm h PHE 815 Cb 0.47 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.39 3gtm h PHE 815 CO 0.06 0.00 -1.52 1.25 -0.18 0.00 0.00 178.31 177.91 3gtm h HIS 816 N 0.00 0.22 -0.53 -0.55 2.76 -0.48 -3.23 115.15 113.34 3gtm h HIS 816 Ca 0.00 -0.16 -0.07 0.00 -2.20 0.00 0.00 60.37 57.94 3gtm h HIS 816 Cb 0.07 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 3gtm h HIS 816 CO 0.00 1.22 0.05 0.00 -1.30 0.00 0.00 177.93 177.90 3gtm h ALA 817 N 0.72 1.09 0.43 5.26 0.00 0.50 -2.27 119.26 124.99 3gtm h ALA 817 Ca -0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3gtm h ALA 817 Cb 1.97 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3gtm h ALA 817 CO 0.12 0.58 -0.21 0.52 0.00 0.00 0.00 179.25 180.27 3gtm h MET 818 N 0.81 -0.56 0.00 0.00 2.07 -1.40 -2.22 114.93 113.62 3gtm h MET 818 Ca 0.16 0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 3gtm h MET 818 Cb 0.41 0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.27 3gtm h MET 818 CO 0.01 -0.36 0.00 0.78 1.07 0.00 0.00 176.91 178.41 3gtm h GLY 819 N -0.61 0.00 0.96 8.32 0.00 -1.55 -2.40 103.07 107.79 3gtm h GLY 819 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.96 3gtm h GLY 819 CO 0.10 0.00 -1.44 -1.33 0.00 0.00 0.00 176.54 173.87 3gtm h GLY 820 N 0.93 0.48 1.83 4.60 0.00 -1.12 -3.34 103.07 106.44 3gtm h GLY 820 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.10 3gtm h GLY 820 CO 0.00 1.07 0.05 -0.09 0.00 0.00 0.00 176.54 177.57 3gtm h ARG 821 N -0.02 0.22 -0.93 4.80 9.65 -0.88 -3.04 114.38 124.19 3gtm h ARG 821 Ca -0.27 -0.02 0.24 0.00 -1.10 0.00 0.00 59.98 58.83 3gtm h ARG 821 Cb 2.00 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 30.48 3gtm h ARG 821 CO 0.20 0.20 0.63 1.49 2.80 0.00 0.00 179.97 185.28 3gtm h GLU 822 N 0.22 0.23 0.25 0.20 4.81 -1.67 -2.03 114.58 116.59 3gtm h GLU 822 Ca 0.06 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3gtm h GLU 822 Cb 0.07 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3gtm h GLU 822 CO -0.01 0.15 -0.12 0.78 -0.73 0.00 0.00 179.01 179.09 3gtm h GLY 823 N 0.23 -0.35 -1.66 1.92 0.00 -1.77 -3.25 103.07 98.19 3gtm h GLY 823 Ca 0.47 0.13 0.53 0.00 0.00 0.00 0.00 47.33 48.46 3gtm h GLY 823 CO -0.12 -0.13 1.23 1.41 0.00 0.00 0.00 176.54 178.93 3gtm h LEU 824 N -1.02 0.06 0.06 3.11 3.38 -1.52 0.11 115.31 119.49 3gtm h LEU 824 Ca -0.03 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gtm h LEU 824 Cb 0.41 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3gtm h LEU 824 CO 0.06 -0.07 -0.03 0.40 0.09 0.00 0.00 178.44 178.89 3gtm h ILE 825 N 0.01 1.25 -0.11 1.22 2.04 -1.55 -3.03 117.51 117.34 3gtm h ILE 825 Ca 0.89 -1.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 3gtm h ILE 825 Cb 3.38 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 41.59 3gtm h ILE 825 CO -0.14 0.35 0.10 -0.90 0.00 0.00 0.00 178.15 177.55 3gtm n ASP 826 N -4.81 5.61 0.00 1.72 5.68 -0.01 -0.50 116.55 124.25 3gtm n ASP 826 Ca -0.08 -2.57 0.00 0.00 -0.50 0.00 0.00 54.79 51.64 3gtm n ASP 826 Cb 0.31 -1.12 0.00 0.00 -1.14 0.00 0.00 41.12 39.17 3gtm n ASP 826 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3gtm n THR 827 N 1.24 0.00 -0.01 2.12 -1.04 -1.01 -4.48 114.28 111.09 3gtm n THR 827 Ca 0.07 -0.25 -0.05 0.00 -2.04 0.00 0.00 64.05 61.79 3gtm n THR 827 Cb 0.52 1.36 -0.02 0.00 -1.82 0.00 0.00 70.33 70.37 3gtm n THR 827 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtm n ALA 828 N -0.14 2.55 0.21 2.41 0.00 0.35 -4.16 120.51 121.73 3gtm n ALA 828 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 53.44 53.27 3gtm n ALA 828 Cb 0.09 0.33 0.46 0.00 0.00 0.00 0.00 19.45 20.33 3gtm n ALA 828 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gtm h VAL 829 N -0.23 1.02 0.24 0.00 2.07 -1.40 -3.33 116.25 114.63 3gtm h VAL 829 Ca -0.10 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 3gtm h VAL 829 Cb 0.78 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3gtm h VAL 829 CO -0.06 0.28 -0.12 0.50 0.02 0.00 0.00 177.57 178.19 3gtm h LYS 830 N 0.00 -0.32 -0.65 1.57 3.64 -1.79 -3.36 116.57 115.67 3gtm h LYS 830 Ca -0.00 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3gtm h LYS 830 Cb 0.57 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 3gtm h LYS 830 CO 0.04 0.03 0.43 0.00 -2.27 0.00 0.00 179.45 177.68 3gtm h THR 831 N -0.93 0.96 0.36 1.00 1.03 -1.72 -2.06 112.91 111.54 3gtm h THR 831 Ca -0.03 -0.20 -0.01 0.00 -0.01 0.00 0.00 66.41 66.16 3gtm h THR 831 Cb 0.49 0.33 -0.02 0.00 -1.07 0.00 0.00 68.15 67.89 3gtm h THR 831 CO 0.05 0.10 -0.36 0.00 -0.01 0.00 0.00 175.52 175.31 3gtm h ALA 832 N 1.66 -1.04 0.00 0.00 0.00 -1.71 -2.37 119.26 115.80 3gtm h ALA 832 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gtm h ALA 832 Cb 0.40 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3gtm h ALA 832 CO -0.09 -1.06 0.00 0.39 0.00 0.00 0.00 179.25 178.49 3gtm n GLU 833 N -4.55 0.18 0.02 0.00 1.02 -1.06 -2.86 120.64 113.39 3gtm n GLU 833 Ca -0.08 0.35 -0.19 0.00 -0.02 0.00 0.00 57.16 57.22 3gtm n GLU 833 Cb 0.33 -1.80 -0.10 0.00 -0.02 0.00 0.00 31.44 29.84 3gtm n GLU 833 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtm h THR 834 N 0.00 1.34 0.00 2.62 1.03 -1.12 -3.02 112.91 113.75 3gtm h THR 834 Ca 0.00 -2.13 -0.04 0.00 -0.01 0.00 0.00 66.41 64.23 3gtm h THR 834 Cb 0.42 2.41 -0.01 0.00 -1.07 0.00 0.00 68.15 69.91 3gtm h THR 834 CO 0.00 0.65 -0.18 1.23 -0.01 0.00 0.00 175.52 177.20 3gtm h GLY 835 N 0.21 0.00 1.65 2.99 0.00 -1.28 -1.13 103.07 105.51 3gtm h GLY 835 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3gtm h GLY 835 CO 0.16 0.00 -0.46 -1.82 0.00 0.00 0.00 176.54 174.43 3gtm h TYR 836 N 0.00 0.00 0.00 5.60 3.20 -1.59 0.18 116.97 124.36 3gtm h TYR 836 Ca -0.00 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 3gtm h TYR 836 Cb 0.77 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 3gtm h TYR 836 CO 0.00 0.12 -1.15 0.82 -1.64 0.00 0.00 178.16 176.31 3gtm h ILE 837 N 0.00 0.72 0.63 1.81 2.04 -1.36 -2.83 117.51 118.52 3gtm h ILE 837 Ca -0.01 -2.21 -0.03 0.00 1.00 0.00 0.00 64.86 63.60 3gtm h ILE 837 Cb 1.10 2.23 0.01 0.00 -0.74 0.00 0.00 36.82 39.41 3gtm h ILE 837 CO 0.01 0.41 -0.30 -0.61 0.00 0.00 0.00 178.15 177.66 3gtm h GLN 838 N 0.00 -0.82 -0.73 2.37 -0.00 -1.08 -2.81 115.11 112.04 3gtm h GLN 838 Ca -0.12 0.06 0.07 0.00 -0.00 0.00 0.00 58.65 58.66 3gtm h GLN 838 Cb 1.57 0.19 -0.05 0.00 0.00 0.00 0.00 27.48 29.19 3gtm h GLN 838 CO 0.06 -0.53 0.48 -0.09 0.00 0.00 0.00 178.83 178.75 3gtm h ARG 839 N -1.19 0.71 0.82 1.69 2.43 -1.09 -1.00 114.38 116.75 3gtm h ARG 839 Ca -0.09 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 3gtm h ARG 839 Cb 0.67 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3gtm h ARG 839 CO 0.14 0.47 -0.39 0.00 -1.51 0.00 0.00 179.97 178.68 3gtm h ARG 840 N 0.73 -1.06 -0.24 0.20 3.08 -1.54 -1.32 114.38 114.24 3gtm h ARG 840 Ca 0.32 0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.50 3gtm h ARG 840 Cb 0.29 0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.51 3gtm h ARG 840 CO -0.11 -0.70 -0.28 -0.07 -1.07 0.00 0.00 179.97 177.75 3gtm h LEU 841 N -1.15 -0.88 -0.92 3.04 3.38 -1.22 0.31 115.31 117.86 3gtm h LEU 841 Ca -0.11 0.15 0.26 0.00 0.09 0.00 0.00 57.88 58.27 3gtm h LEU 841 Cb 0.85 0.40 -0.16 0.00 0.09 0.00 0.00 40.66 41.84 3gtm h LEU 841 CO 0.18 -0.31 0.21 0.58 0.09 0.00 0.00 178.44 179.20 3gtm h VAL 842 N -0.29 0.20 0.00 1.22 2.07 -1.09 -0.41 116.25 117.96 3gtm h VAL 842 Ca 0.13 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 3gtm h VAL 842 Cb 0.50 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3gtm h VAL 842 CO -0.40 0.02 -0.93 0.50 0.02 0.00 0.00 177.57 176.78 3gtm h LYS 843 N 0.13 0.00 -0.08 1.57 1.63 0.01 -3.16 116.57 116.67 3gtm h LYS 843 Ca 0.59 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 60.20 3gtm h LYS 843 Cb 1.26 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3gtm h LYS 843 CO -0.74 0.11 -0.77 0.00 -3.45 0.00 0.00 179.45 174.60 3gtm h ALA 844 N 1.81 0.51 0.00 5.00 0.00 0.12 -3.40 119.26 123.31 3gtm h ALA 844 Ca -0.04 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3gtm h ALA 844 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3gtm h ALA 844 CO 0.02 0.76 -0.49 1.28 0.00 0.00 0.00 179.25 180.82 3gtm n LEU 845 N -3.84 1.30 0.00 0.00 4.77 -0.75 -4.90 117.00 113.58 3gtm n LEU 845 Ca -0.05 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3gtm n LEU 845 Cb 0.73 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3gtm n LEU 845 CO 0.49 -0.43 0.00 -0.62 -1.33 0.00 0.00 177.39 175.50 3gtm n GLU 846 N -3.89 0.00 0.11 3.23 1.02 -1.19 -2.30 120.64 117.62 3gtm n GLU 846 Ca -0.07 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.12 3gtm n GLU 846 Cb 0.25 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 31.91 3gtm n GLU 846 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gtm n ASP 847 N 3.19 0.23 -4.61 1.62 5.68 -1.26 -3.64 116.55 117.75 3gtm n ASP 847 Ca 0.00 0.47 -0.43 0.00 -0.50 0.00 0.00 54.79 54.33 3gtm n ASP 847 Cb 0.00 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.52 3gtm n ASP 847 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3gtm s ILE 848 N -3.08 3.42 0.09 2.12 1.01 -0.97 -4.19 121.20 119.58 3gtm s ILE 848 Ca -0.01 0.44 0.03 0.00 0.00 0.00 0.00 60.65 61.12 3gtm s ILE 848 Cb 0.03 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 3gtm s ILE 848 CO 0.08 -0.28 -0.10 0.00 0.00 0.00 0.00 174.94 174.64 3gtm s MET 849 N 5.47 0.81 -0.09 2.79 0.23 -0.88 -0.41 119.30 127.22 3gtm s MET 849 Ca 0.82 -1.11 -0.30 0.00 -1.03 0.00 0.00 55.69 54.08 3gtm s MET 849 Cb -0.26 -0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 32.50 3gtm s MET 849 CO 0.33 0.08 1.25 0.08 -2.03 0.00 0.00 175.02 174.73 3gtm s VAL 850 N -2.31 4.20 0.74 5.16 1.01 -0.89 -2.60 120.40 125.71 3gtm s VAL 850 Ca 0.03 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 63.49 3gtm s VAL 850 Cb -0.04 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.51 3gtm s VAL 850 CO -0.00 -0.05 1.03 -1.00 0.00 0.00 0.00 175.10 175.08 3gtm s HIS 851 N 2.71 1.63 -0.19 5.22 3.76 -1.20 -0.75 115.29 126.48 3gtm s HIS 851 Ca 0.57 -0.20 0.29 0.00 -0.15 0.00 0.00 55.06 55.57 3gtm s HIS 851 Cb -0.24 -3.11 1.06 0.00 1.11 0.00 0.00 32.58 31.40 3gtm s HIS 851 CO 0.20 -1.79 1.84 1.88 -0.85 0.00 0.00 174.74 176.02 3gtm h TYR 852 N -0.64 0.00 -0.34 1.40 -1.99 -1.91 -0.90 116.97 112.60 3gtm h TYR 852 Ca -0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.36 3gtm h TYR 852 Cb 1.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.99 3gtm h TYR 852 CO -0.28 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 177.48 3gtm n ASP 853 N -2.84 2.13 -0.13 3.88 5.75 -1.26 -4.90 116.55 119.19 3gtm n ASP 853 Ca 0.02 -2.08 -0.02 0.00 -0.01 0.00 0.00 54.79 52.70 3gtm n ASP 853 Cb 0.34 -0.30 -0.01 0.00 -1.03 0.00 0.00 41.12 40.12 3gtm n ASP 853 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3gtm n ASN 854 N 0.48 -5.61 -2.73 -1.12 3.02 -0.34 -4.98 115.26 103.97 3gtm n ASN 854 Ca 0.12 0.04 -0.01 0.00 -0.03 0.00 0.00 54.58 54.70 3gtm n ASN 854 Cb 0.37 -3.26 0.01 0.00 -0.61 0.00 0.00 39.78 36.29 3gtm n ASN 854 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3gtm n THR 855 N -2.15 0.00 -3.42 3.41 5.66 -1.25 -3.66 114.28 112.87 3gtm n THR 855 Ca -0.02 -0.01 -0.17 0.00 -3.05 0.00 0.00 64.05 60.81 3gtm n THR 855 Cb 0.46 -0.60 -0.11 0.00 -1.55 0.00 0.00 70.33 68.53 3gtm n THR 855 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3gtm s THR 856 N -1.06 -0.40 0.15 1.09 2.01 -0.23 -3.26 115.64 113.95 3gtm s THR 856 Ca 0.02 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 61.80 3gtm s THR 856 Cb -0.00 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 3gtm s THR 856 CO 0.02 -0.34 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.28 3gtm s ARG 857 N 2.37 1.28 0.58 4.92 0.52 -1.07 0.14 118.95 127.69 3gtm s ARG 857 Ca 0.09 -1.37 -0.05 0.00 -0.52 0.00 0.00 55.73 53.88 3gtm s ARG 857 Cb -0.15 -1.42 0.12 0.00 0.52 0.00 0.00 34.95 34.02 3gtm s ARG 857 CO -0.24 0.30 0.80 0.27 0.02 0.00 0.00 175.30 176.45 3gtm n ASN 858 N 0.47 0.61 -0.22 0.23 2.04 -0.91 -2.06 115.26 115.41 3gtm n ASN 858 Ca -0.14 -1.62 -0.01 0.00 -0.44 0.00 0.00 54.58 52.36 3gtm n ASN 858 Cb 0.56 -0.56 0.19 0.00 -2.53 0.00 0.00 39.78 37.45 3gtm n ASN 858 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 3gtm h SER 859 N -0.74 0.90 -0.84 0.53 4.64 -1.90 -2.18 113.55 113.97 3gtm h SER 859 Ca -0.26 -0.07 0.11 0.00 -0.47 0.00 0.00 61.79 61.10 3gtm h SER 859 Cb 0.85 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 62.63 3gtm h SER 859 CO 0.24 0.73 0.47 -0.07 -0.87 0.00 0.00 176.83 177.33 3gtm h LEU 860 N 1.02 0.65 0.00 5.97 3.38 -1.94 -3.44 115.31 120.95 3gtm h LEU 860 Ca 0.26 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3gtm h LEU 860 Cb 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gtm h LEU 860 CO -0.04 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.44 3gtm n GLY 861 N -1.32 1.59 3.75 0.83 0.00 -0.82 -5.12 105.19 104.10 3gtm n GLY 861 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3gtm n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gtm s ASN 862 N -2.00 7.40 0.26 1.61 0.01 -1.26 -4.86 114.94 116.10 3gtm s ASN 862 Ca 0.00 1.66 -0.30 0.00 -0.71 0.00 0.00 52.86 53.51 3gtm s ASN 862 Cb 0.00 -2.52 -0.09 0.00 0.41 0.00 0.00 41.25 39.04 3gtm s ASN 862 CO 0.00 0.09 1.10 -0.69 -1.51 0.00 0.00 177.10 176.09 3gtm s VAL 863 N -0.58 3.54 0.01 1.60 1.01 -1.26 -2.14 120.40 122.57 3gtm s VAL 863 Ca 0.40 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.88 3gtm s VAL 863 Cb -0.23 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3gtm s VAL 863 CO 0.27 0.34 0.00 -0.38 0.00 0.00 0.00 175.10 175.33 3gtm n ILE 864 N 1.40 0.12 -4.67 2.22 5.41 0.12 -4.96 119.36 119.01 3gtm n ILE 864 Ca -0.00 0.04 -0.29 0.00 1.00 0.00 0.00 62.75 63.50 3gtm n ILE 864 Cb 0.45 -1.45 -0.14 0.00 -0.71 0.00 0.00 39.64 37.79 3gtm n ILE 864 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3gtm s GLN 865 N -2.00 1.59 0.15 0.38 -0.21 -1.17 -4.89 119.66 113.51 3gtm s GLN 865 Ca 0.00 -1.19 0.16 0.00 0.02 0.00 0.00 55.36 54.35 3gtm s GLN 865 Cb 0.00 -1.89 -0.06 0.00 1.00 0.00 0.00 33.01 32.06 3gtm s GLN 865 CO 0.00 0.47 1.08 0.74 -2.12 0.00 0.00 175.29 175.46 3gtm h PHE 866 N 4.43 0.00 -3.33 0.91 -1.00 -1.89 -0.59 116.94 115.47 3gtm h PHE 866 Ca -0.48 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 59.96 3gtm h PHE 866 Cb 1.16 0.00 -0.37 0.00 3.61 0.00 0.00 35.95 40.34 3gtm h PHE 866 CO 0.53 0.56 -0.72 0.42 -1.61 0.00 0.00 178.31 177.49 3gtm s ILE 867 N -2.93 -0.11 -0.30 -0.55 1.09 -1.26 -3.86 121.20 113.28 3gtm s ILE 867 Ca -0.00 0.37 -0.42 0.00 -1.10 0.00 0.00 60.65 59.50 3gtm s ILE 867 Cb 0.08 -0.15 -0.17 0.00 -1.06 0.00 0.00 42.46 41.16 3gtm s ILE 867 CO 0.79 0.15 1.66 0.00 -0.10 0.00 0.00 174.94 177.44 3gtm n TYR 868 N 5.03 1.89 -2.59 3.97 9.36 -1.24 -0.32 117.16 133.27 3gtm n TYR 868 Ca -0.09 0.72 -0.19 0.00 3.32 0.00 0.00 57.90 61.65 3gtm n TYR 868 Cb 0.50 -2.38 0.01 0.00 -0.63 0.00 0.00 39.34 36.84 3gtm n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gtm n GLY 869 N 3.94 -0.40 3.49 2.98 0.00 -1.26 -1.10 105.19 112.84 3gtm n GLY 869 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3gtm n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtm n GLU 870 N -3.15 -0.42 0.00 1.61 1.02 0.56 -4.59 120.64 115.68 3gtm n GLU 870 Ca -0.17 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3gtm n GLU 870 Cb 0.64 -4.17 0.00 0.00 -0.02 0.00 0.00 31.44 27.90 3gtm n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gtm n ASP 871 N -0.21 0.00 -0.87 1.62 5.68 -1.18 -4.73 116.55 116.86 3gtm n ASP 871 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.24 3gtm n ASP 871 Cb 0.11 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.09 3gtm n ASP 871 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gtm n GLY 872 N 0.00 0.42 3.40 6.12 0.00 -0.26 -4.89 105.19 109.99 3gtm n GLY 872 Ca 0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 3gtm n GLY 872 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gtm s MET 873 N -4.79 2.50 0.14 1.61 0.00 -1.26 -2.37 119.30 115.12 3gtm s MET 873 Ca 0.07 -0.78 -0.31 0.00 0.00 0.00 0.00 55.69 54.66 3gtm s MET 873 Cb -0.03 -2.29 -0.09 0.00 0.00 0.00 0.00 34.83 32.42 3gtm s MET 873 CO 0.08 0.53 1.52 0.34 0.00 0.00 0.00 175.02 177.50 3gtm s ASP 874 N -0.52 6.67 0.54 1.11 -1.08 -0.48 -4.60 116.67 118.31 3gtm s ASP 874 Ca 0.07 2.50 0.22 0.00 -0.52 0.00 0.00 52.55 54.82 3gtm s ASP 874 Cb -0.11 -2.59 1.44 0.00 -1.46 0.00 0.00 42.92 40.20 3gtm s ASP 874 CO 0.01 -0.78 2.14 0.00 0.52 0.00 0.00 175.17 177.06 3gtm h ALA 875 N 6.97 1.98 0.00 3.66 0.00 -1.89 -1.29 119.26 128.69 3gtm h ALA 875 Ca -0.42 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3gtm h ALA 875 Cb 1.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gtm h ALA 875 CO 0.90 -0.15 -0.14 0.00 0.00 0.00 0.00 179.25 179.86 3gtm h ALA 876 N 1.92 1.17 -1.96 0.00 0.00 -1.83 -3.32 119.26 115.24 3gtm h ALA 876 Ca 0.05 -0.12 -0.79 0.00 0.00 0.00 0.00 54.91 54.06 3gtm h ALA 876 Cb 0.24 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.71 3gtm h ALA 876 CO -0.00 0.17 0.62 0.72 0.00 0.00 0.00 179.25 180.76 3gtm n HIS 877 N -3.49 2.46 -3.64 0.00 8.25 -0.49 -4.84 115.22 113.47 3gtm n HIS 877 Ca -0.01 -2.78 -0.14 0.00 -0.26 0.00 0.00 57.72 54.52 3gtm n HIS 877 Cb 0.29 -1.18 -0.07 0.00 1.12 0.00 0.00 29.99 30.14 3gtm n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gtm s ILE 878 N -2.74 0.00 0.08 1.59 1.01 -1.25 -4.02 121.20 115.88 3gtm s ILE 878 Ca 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.93 3gtm s ILE 878 Cb 0.06 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 3gtm s ILE 878 CO 0.09 -0.00 0.05 -1.61 0.00 0.00 0.00 174.94 173.46 3gtm s GLU 879 N 0.18 0.76 -1.18 2.79 2.02 -1.08 -4.70 118.70 117.50 3gtm s GLU 879 Ca -0.01 -1.23 -0.17 0.00 0.02 0.00 0.00 54.97 53.57 3gtm s GLU 879 Cb -0.04 0.25 0.11 0.00 0.10 0.00 0.00 34.13 34.55 3gtm s GLU 879 CO 0.02 -0.19 1.50 0.15 0.02 0.00 0.00 175.26 176.75 3gtm s LYS 880 N -3.95 3.92 -0.03 1.61 1.02 -1.26 -1.40 119.74 119.66 3gtm s LYS 880 Ca 0.12 -2.08 -0.12 0.00 0.02 0.00 0.00 55.97 53.90 3gtm s LYS 880 Cb 0.07 -5.25 -0.05 0.00 -0.52 0.00 0.00 37.83 32.08 3gtm s LYS 880 CO -0.07 -2.00 0.33 -0.65 -0.92 0.00 0.00 175.35 172.05 3gtm s GLN 881 N 3.08 3.77 0.08 1.68 -0.21 -1.05 -4.69 119.66 122.32 3gtm s GLN 881 Ca 0.46 0.24 -0.30 0.00 0.02 0.00 0.00 55.36 55.77 3gtm s GLN 881 Cb -0.00 -3.20 -0.06 0.00 1.00 0.00 0.00 33.01 30.75 3gtm s GLN 881 CO 0.00 0.71 1.18 -1.54 -2.12 0.00 0.00 175.29 173.52 3gtm s SER 882 N -1.10 7.11 -0.68 5.90 1.04 -1.26 -2.40 113.70 122.31 3gtm s SER 882 Ca 0.22 2.02 -0.22 0.00 0.48 0.00 0.00 55.95 58.45 3gtm s SER 882 Cb -0.15 -2.58 0.08 0.00 0.10 0.00 0.00 66.02 63.46 3gtm s SER 882 CO 0.11 -0.43 0.96 -0.76 0.98 0.00 0.00 173.24 174.10 3gtm s LEU 883 N 0.83 4.53 0.00 2.42 1.43 -0.32 -4.90 118.68 122.67 3gtm s LEU 883 Ca 0.57 -1.12 0.18 0.00 -1.03 0.00 0.00 54.13 52.73 3gtm s LEU 883 Cb -0.29 -2.41 0.81 0.00 0.03 0.00 0.00 46.19 44.33 3gtm s LEU 883 CO 0.30 -1.38 1.58 0.47 0.23 0.00 0.00 176.35 177.54 3gtm n ASP 884 N 7.50 0.00 0.14 2.29 8.00 -1.26 -3.24 116.55 129.97 3gtm n ASP 884 Ca -0.02 0.38 0.08 0.00 0.71 0.00 0.00 54.79 55.94 3gtm n ASP 884 Cb 0.45 -0.44 0.04 0.00 -0.02 0.00 0.00 41.12 41.15 3gtm n ASP 884 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3gtm h THR 885 N 0.00 0.25 0.00 -3.53 2.02 -1.91 -3.31 112.91 106.43 3gtm h THR 885 Ca 0.00 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.78 3gtm h THR 885 Cb 0.28 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 3gtm h THR 885 CO 0.00 0.14 -1.40 0.00 0.37 0.00 0.00 175.52 174.63 3gtm n ILE 886 N -2.95 0.24 -2.26 3.11 3.06 -1.20 -4.60 119.36 114.76 3gtm n ILE 886 Ca 0.00 -0.43 -0.27 0.00 -2.50 0.00 0.00 62.75 59.55 3gtm n ILE 886 Cb 0.63 -0.02 0.17 0.00 0.54 0.00 0.00 39.64 40.95 3gtm n ILE 886 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3gtm s GLY 887 N -4.20 1.79 0.03 4.50 0.00 -1.25 -4.97 107.32 103.23 3gtm s GLY 887 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.12 3gtm s GLY 887 CO 0.84 -0.85 0.00 0.61 0.00 0.00 0.00 173.10 173.71 3gtm n GLY 888 N -3.41 -1.81 3.76 0.20 0.00 -1.26 -4.92 105.19 97.75 3gtm n GLY 888 Ca 0.17 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 3gtm n GLY 888 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtm s SER 889 N -3.97 4.95 0.46 1.61 1.04 -1.26 -4.12 113.70 112.41 3gtm s SER 889 Ca 0.00 -0.58 0.19 0.00 0.48 0.00 0.00 55.95 56.04 3gtm s SER 889 Cb 0.00 -0.94 1.16 0.00 0.10 0.00 0.00 66.02 66.34 3gtm s SER 889 CO 0.00 -0.19 1.95 0.44 0.98 0.00 0.00 173.24 176.42 3gtm h ASP 890 N 1.55 0.27 -0.40 7.02 3.32 -1.80 0.36 116.42 126.73 3gtm h ASP 890 Ca -0.45 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.57 3gtm h ASP 890 Cb 1.25 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3gtm h ASP 890 CO 0.61 0.14 0.08 0.00 -1.72 0.00 0.00 179.24 178.35 3gtm h ALA 891 N 1.67 0.53 -0.03 3.45 0.00 -1.95 -2.69 119.26 120.24 3gtm h ALA 891 Ca 0.33 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 3gtm h ALA 891 Cb 0.89 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3gtm h ALA 891 CO -0.08 0.23 -0.94 0.00 0.00 0.00 0.00 179.25 178.45 3gtm h ALA 892 N 0.93 0.26 -0.31 0.00 0.00 -1.60 -3.08 119.26 115.47 3gtm h ALA 892 Ca 0.12 -0.68 0.05 0.00 0.00 0.00 0.00 54.91 54.41 3gtm h ALA 892 Cb 0.35 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3gtm h ALA 892 CO 0.01 0.73 -0.01 0.35 0.00 0.00 0.00 179.25 180.33 3gtm h PHE 893 N 0.37 -0.03 -0.03 0.00 3.57 -0.29 -2.56 116.94 117.98 3gtm h PHE 893 Ca -0.09 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.27 3gtm h PHE 893 Cb 1.58 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.37 3gtm h PHE 893 CO 0.08 -0.06 -0.70 1.49 -2.23 0.00 0.00 178.31 176.90 3gtm h GLU 894 N 0.08 0.15 0.00 1.11 4.81 -1.57 0.10 114.58 119.27 3gtm h GLU 894 Ca 0.15 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3gtm h GLU 894 Cb 0.20 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3gtm h GLU 894 CO -0.25 0.79 0.00 1.17 -0.73 0.00 0.00 179.01 179.99 3gtm n LYS 895 N -3.77 0.63 0.00 1.92 4.81 -0.99 -3.25 118.16 117.51 3gtm n LYS 895 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 3gtm n LYS 895 Cb 0.68 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.49 3gtm n LYS 895 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3gtm n ARG 896 N -0.74 0.00 0.00 1.64 0.63 -0.80 -4.89 116.66 112.50 3gtm n ARG 896 Ca 0.07 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.10 3gtm n ARG 896 Cb 0.03 -0.17 0.07 0.00 0.45 0.00 0.00 32.46 32.84 3gtm n ARG 896 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3gtm n TYR 897 N -2.63 0.00 -3.45 -0.14 4.02 0.30 -4.38 117.16 110.87 3gtm n TYR 897 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.49 3gtm n TYR 897 Cb 0.16 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.38 3gtm n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3gtm s ARG 898 N -1.68 3.67 -0.26 -0.72 6.06 -1.20 -4.78 118.95 120.05 3gtm s ARG 898 Ca 0.22 -0.37 -0.02 0.00 -2.50 0.00 0.00 55.73 53.05 3gtm s ARG 898 Cb 0.16 -3.76 0.03 0.00 0.06 0.00 0.00 34.95 31.44 3gtm s ARG 898 CO 0.26 -0.43 -0.04 0.08 -2.50 0.00 0.00 175.30 172.68 3gtm s VAL 899 N 1.94 3.02 -0.31 7.11 1.01 -1.26 -4.92 120.40 126.99 3gtm s VAL 899 Ca 0.11 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3gtm s VAL 899 Cb -0.16 -2.57 0.07 0.00 0.00 0.00 0.00 36.38 33.72 3gtm s VAL 899 CO 0.11 0.14 0.01 -0.62 0.00 0.00 0.00 175.10 174.74 3gtm s ASP 900 N 1.34 4.81 0.00 3.32 2.15 -0.82 -4.90 116.67 122.57 3gtm s ASP 900 Ca -0.00 -1.52 0.26 0.00 0.43 0.00 0.00 52.55 51.71 3gtm s ASP 900 Cb -0.17 -1.68 1.15 0.00 -0.30 0.00 0.00 42.92 41.92 3gtm s ASP 900 CO -0.03 -0.30 1.84 0.18 -0.17 0.00 0.00 175.17 176.69 3gtm n LEU 901 N 4.52 0.00 -0.00 -1.34 4.77 -1.26 -2.69 117.00 120.99 3gtm n LEU 901 Ca -0.10 0.45 0.11 0.00 -0.03 0.00 0.00 56.01 56.44 3gtm n LEU 901 Cb 0.43 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3gtm n LEU 901 CO 0.25 -0.05 0.13 0.18 -1.33 0.00 0.00 177.39 176.57 3gtm n LEU 902 N -1.45 0.83 -4.68 2.23 4.77 -1.26 -0.95 117.00 116.49 3gtm n LEU 902 Ca 0.08 -0.32 -0.35 0.00 -0.03 0.00 0.00 56.01 55.38 3gtm n LEU 902 Cb 0.28 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 3gtm n LEU 902 CO 0.23 0.21 -0.24 0.21 -1.33 0.00 0.00 177.39 176.47 3gtm s ASN 903 N -3.00 5.77 0.51 -1.43 3.04 -1.10 -4.94 114.94 113.79 3gtm s ASN 903 Ca 0.09 0.15 0.24 0.00 0.04 0.00 0.00 52.86 53.38 3gtm s ASN 903 Cb 0.17 -1.95 1.36 0.00 -1.54 0.00 0.00 41.25 39.29 3gtm s ASN 903 CO 0.81 0.22 2.07 0.74 -3.04 0.00 0.00 177.10 177.90 3gtm h THR 904 N 4.68 0.73 -0.26 -5.21 2.02 -1.90 -3.04 112.91 109.93 3gtm h THR 904 Ca -0.41 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.28 3gtm h THR 904 Cb 1.17 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3gtm h THR 904 CO 0.69 0.12 0.00 0.47 0.37 0.00 0.00 175.52 177.17 3gtm n ASP 905 N -3.87 2.65 -0.03 4.18 8.00 -1.26 -4.51 116.55 121.71 3gtm n ASP 905 Ca -0.02 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.57 3gtm n ASP 905 Cb 0.22 -0.17 0.01 0.00 -0.02 0.00 0.00 41.12 41.16 3gtm n ASP 905 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3gtm n HIS 906 N 0.39 0.00 -3.41 1.24 8.25 -1.15 -5.08 115.22 115.46 3gtm n HIS 906 Ca 0.09 -0.26 -0.31 0.00 -0.26 0.00 0.00 57.72 56.98 3gtm n HIS 906 Cb 0.38 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.41 3gtm n HIS 906 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3gtm s THR 907 N -0.56 4.96 -0.43 1.59 2.01 -1.18 -1.94 115.64 120.09 3gtm s THR 907 Ca 0.01 0.38 -0.28 0.00 0.31 0.00 0.00 61.69 62.12 3gtm s THR 907 Cb 0.01 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 3gtm s THR 907 CO 0.00 -0.11 2.36 0.18 -0.69 0.00 0.00 174.62 176.37 3gtm n LEU 908 N -0.26 2.44 -4.60 4.42 4.77 -1.26 -4.86 117.00 117.66 3gtm n LEU 908 Ca -0.00 -0.20 -0.56 0.00 -0.03 0.00 0.00 56.01 55.23 3gtm n LEU 908 Cb 0.53 -1.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.04 3gtm n LEU 908 CO 0.46 -1.21 0.90 -0.67 -1.33 0.00 0.00 177.39 175.54 3gtm n ASP 909 N 13.95 1.31 0.30 -1.43 -0.08 -1.26 -4.77 116.55 124.57 3gtm n ASP 909 Ca 0.37 1.13 0.18 0.00 -1.51 0.00 0.00 54.79 54.96 3gtm n ASP 909 Cb 0.46 -1.10 0.95 0.00 2.34 0.00 0.00 41.12 43.78 3gtm n ASP 909 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3gtm h PRO 910 N 4.59 0.00 0.00 -0.67 0.13 -1.86 0.37 132.00 134.56 3gtm h PRO 910 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3gtm h PRO 910 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3gtm h PRO 910 CO 0.79 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.43 3gtm n SER 911 N -3.18 0.00 -0.00 1.44 3.41 -1.26 -2.96 113.62 111.06 3gtm n SER 911 Ca -0.01 -0.37 -0.00 0.00 -0.26 0.00 0.00 58.87 58.23 3gtm n SER 911 Cb 0.27 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3gtm n SER 911 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gtm n LEU 912 N -0.85 0.03 -4.83 1.04 4.77 0.13 -4.68 117.00 112.62 3gtm n LEU 912 Ca 0.05 0.01 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 3gtm n LEU 912 Cb 0.02 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 3gtm n LEU 912 CO 0.04 -0.50 0.20 -0.22 -1.33 0.00 0.00 177.39 175.58 3gtm s LEU 913 N -5.05 4.47 0.41 2.23 2.96 -1.16 -1.13 118.68 121.41 3gtm s LEU 913 Ca -0.00 1.11 0.10 0.00 -0.22 0.00 0.00 54.13 55.12 3gtm s LEU 913 Cb 0.00 -2.86 0.85 0.00 0.50 0.00 0.00 46.19 44.68 3gtm s LEU 913 CO 0.01 0.26 1.97 -0.33 -1.32 0.00 0.00 176.35 176.93 3gtm h GLU 914 N 4.39 0.27 -0.66 1.98 5.08 -1.64 -2.87 114.58 121.14 3gtm h GLU 914 Ca -0.50 -0.05 -0.30 0.00 -1.00 0.00 0.00 59.36 57.51 3gtm h GLU 914 Cb 1.21 -0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.24 3gtm h GLU 914 CO 0.63 0.33 0.26 -1.13 -1.00 0.00 0.00 179.01 178.11 3gtm n SER 915 N -4.34 3.48 -0.01 1.42 3.41 -1.26 -4.56 113.62 111.75 3gtm n SER 915 Ca -0.00 -3.56 -0.12 0.00 -0.26 0.00 0.00 58.87 54.93 3gtm n SER 915 Cb 0.21 -0.72 -0.14 0.00 -0.26 0.00 0.00 64.21 63.29 3gtm n SER 915 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3gtm h GLY 916 N 1.36 0.08 2.00 5.00 0.00 -1.80 -3.35 103.07 106.37 3gtm h GLY 916 Ca 0.37 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 3gtm h GLY 916 CO 0.71 0.19 -0.26 1.48 0.00 0.00 0.00 176.54 178.65 3gtm h SER 917 N 0.02 0.00 -0.87 0.19 4.64 -1.80 -2.02 113.55 113.70 3gtm h SER 917 Ca -0.32 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.45 3gtm h SER 917 Cb 2.02 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.82 3gtm h SER 917 CO 0.08 0.26 0.44 -1.84 -0.87 0.00 0.00 176.83 174.90 3gtm n GLU 918 N -3.51 2.59 0.00 4.77 0.28 -1.26 -4.27 120.64 119.25 3gtm n GLU 918 Ca -0.00 -3.34 0.00 0.00 -0.16 0.00 0.00 57.16 53.66 3gtm n GLU 918 Cb 0.42 -2.19 0.00 0.00 1.43 0.00 0.00 31.44 31.10 3gtm n GLU 918 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3gtm n ILE 919 N -0.98 0.00 -1.49 3.84 5.41 -0.77 -4.91 119.36 120.47 3gtm n ILE 919 Ca 0.55 0.00 -0.45 0.00 1.00 0.00 0.00 62.75 63.85 3gtm n ILE 919 Cb 1.01 -0.53 -0.07 0.00 -0.71 0.00 0.00 39.64 39.34 3gtm n ILE 919 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3gtm n LEU 920 N -1.51 1.86 0.00 1.39 0.00 -1.17 -1.29 117.00 116.28 3gtm n LEU 920 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 56.01 56.13 3gtm n LEU 920 Cb 0.30 -1.29 0.00 0.00 0.00 0.00 0.00 43.42 42.43 3gtm n LEU 920 CO 0.00 -0.95 0.00 0.61 0.00 0.00 0.00 177.39 177.05 3gtm n GLY 921 N 6.38 2.13 3.51 -3.96 0.00 -0.12 -5.01 105.19 108.12 3gtm n GLY 921 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 3gtm n GLY 921 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gtm n ASP 922 N 0.00 1.90 -0.31 1.61 -0.08 -0.41 -4.80 116.55 114.46 3gtm n ASP 922 Ca 0.00 -0.06 -0.04 0.00 -1.51 0.00 0.00 54.79 53.18 3gtm n ASP 922 Cb 0.00 -1.35 0.08 0.00 2.34 0.00 0.00 41.12 42.18 3gtm n ASP 922 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3gtm h LEU 923 N 15.67 1.03 -0.27 -2.67 3.38 -1.96 -2.78 115.31 127.70 3gtm h LEU 923 Ca -0.22 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3gtm h LEU 923 Cb 1.29 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3gtm h LEU 923 CO 1.16 0.82 0.09 0.11 0.09 0.00 0.00 178.44 180.70 3gtm h LYS 924 N 1.16 0.41 0.00 1.13 1.57 -2.00 -2.73 116.57 116.11 3gtm h LYS 924 Ca 0.30 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3gtm h LYS 924 Cb -0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3gtm h LYS 924 CO -0.05 0.47 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.12 3gtm h LEU 925 N 0.27 0.00 -0.79 2.94 3.38 -1.93 -2.19 115.31 116.99 3gtm h LEU 925 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3gtm h LEU 925 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3gtm h LEU 925 CO -0.00 0.11 -0.25 1.56 0.09 0.00 0.00 178.44 179.95 3gtm h GLN 926 N 0.00 0.00 0.00 1.13 1.08 -1.21 -2.60 115.11 113.51 3gtm h GLN 926 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3gtm h GLN 926 Cb 0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 3gtm h GLN 926 CO 0.01 0.25 -0.39 0.28 -0.95 0.00 0.00 178.83 178.03 3gtm h VAL 927 N 0.00 0.83 -0.63 -0.54 2.07 -1.25 0.38 116.25 117.11 3gtm h VAL 927 Ca -0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.85 3gtm h VAL 927 Cb 0.89 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3gtm h VAL 927 CO 0.03 0.38 0.00 0.18 0.02 0.00 0.00 177.57 178.19 3gtm n LEU 928 N -3.42 4.83 0.00 2.57 4.77 -1.13 -3.58 117.00 121.04 3gtm n LEU 928 Ca 0.00 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.48 3gtm n LEU 928 Cb 0.56 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3gtm n LEU 928 CO 0.37 0.79 0.07 -0.11 -1.33 0.00 0.00 177.39 177.19 3gtm n LEU 929 N 1.02 0.29 -0.03 2.23 -0.00 -0.74 -4.39 117.00 115.39 3gtm n LEU 929 Ca 0.26 -0.46 -0.16 0.00 -0.00 0.00 0.00 56.01 55.65 3gtm n LEU 929 Cb 0.92 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 44.20 3gtm n LEU 929 CO 0.24 0.07 -0.81 0.47 -0.00 0.00 0.00 177.39 177.37 3gtm n ASP 930 N -0.34 1.51 0.26 1.96 9.92 0.13 -4.21 116.55 125.78 3gtm n ASP 930 Ca 0.00 0.22 0.17 0.00 -0.53 0.00 0.00 54.79 54.65 3gtm n ASP 930 Cb 0.04 -0.39 0.74 0.00 -0.64 0.00 0.00 41.12 40.88 3gtm n ASP 930 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3gtm h GLU 931 N 0.03 0.00 -0.14 -1.24 5.08 -1.79 0.11 114.58 116.63 3gtm h GLU 931 Ca -0.41 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.78 3gtm h GLU 931 Cb 2.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 3gtm h GLU 931 CO 0.06 0.00 -0.65 1.49 -1.00 0.00 0.00 179.01 178.91 3gtm h GLU 932 N 0.00 0.52 0.01 2.33 4.81 -1.77 -3.20 114.58 117.29 3gtm h GLU 932 Ca 0.00 -0.38 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3gtm h GLU 932 Cb 0.37 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3gtm h GLU 932 CO 0.00 1.00 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.35 3gtm h TYR 933 N 0.38 -0.02 -1.31 0.92 3.20 -1.28 -1.75 116.97 117.11 3gtm h TYR 933 Ca -0.02 -0.00 0.40 0.00 3.14 0.00 0.00 58.73 62.26 3gtm h TYR 933 Cb 1.22 0.01 -0.11 0.00 1.54 0.00 0.00 36.73 39.39 3gtm h TYR 933 CO 0.05 0.67 0.87 0.87 -1.64 0.00 0.00 178.16 178.98 3gtm h LYS 934 N -0.97 0.13 0.15 1.82 1.57 -1.01 0.26 116.57 118.51 3gtm h LYS 934 Ca -0.00 -0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 3gtm h LYS 934 Cb 0.69 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 3gtm h LYS 934 CO 0.00 0.08 -1.72 0.37 -0.57 0.00 0.00 179.45 177.62 3gtm h GLN 935 N 0.13 0.32 0.00 3.15 5.75 -1.60 -2.53 115.11 120.33 3gtm h GLN 935 Ca 0.76 -0.54 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 3gtm h GLN 935 Cb 2.44 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 31.19 3gtm h GLN 935 CO -0.31 1.21 -0.09 -0.07 -2.65 0.00 0.00 178.83 176.91 3gtm h LEU 936 N 0.09 0.00 0.17 -2.39 3.38 0.18 0.43 115.31 117.16 3gtm h LEU 936 Ca -0.32 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.35 3gtm h LEU 936 Cb 2.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.83 3gtm h LEU 936 CO 0.16 0.09 -1.43 0.58 0.09 0.00 0.00 178.44 177.93 3gtm h VAL 937 N 0.00 1.14 -0.30 1.22 2.07 -0.71 -2.76 116.25 116.90 3gtm h VAL 937 Ca -0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.01 3gtm h VAL 937 Cb 0.22 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 3gtm h VAL 937 CO 0.01 0.78 0.20 0.50 0.02 0.00 0.00 177.57 179.07 3gtm h LYS 938 N -0.10 0.39 -0.43 1.57 3.64 -0.97 0.27 116.57 120.94 3gtm h LYS 938 Ca -0.28 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 3gtm h LYS 938 Cb 1.93 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.64 3gtm h LYS 938 CO 0.16 0.26 0.18 -0.44 -2.27 0.00 0.00 179.45 177.33 3gtm h ASP 939 N 0.40 0.58 0.72 4.20 5.19 -0.19 -1.64 116.42 125.67 3gtm h ASP 939 Ca 0.11 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 3gtm h ASP 939 Cb -0.05 -0.15 0.01 0.00 0.18 0.00 0.00 39.33 39.32 3gtm h ASP 939 CO -0.02 0.57 -0.35 -0.09 -3.12 0.00 0.00 179.24 176.24 3gtm h ARG 940 N 0.55 -0.93 -0.96 3.56 2.43 -0.89 0.42 114.38 118.56 3gtm h ARG 940 Ca 0.14 0.06 0.26 0.00 -0.81 0.00 0.00 59.98 59.64 3gtm h ARG 940 Cb 0.17 0.21 -0.13 0.00 -0.42 0.00 0.00 29.97 29.79 3gtm h ARG 940 CO -0.01 -0.62 0.49 0.87 -1.51 0.00 0.00 179.97 179.19 3gtm h LYS 941 N -1.19 0.39 0.11 0.20 1.79 -1.08 -1.15 116.57 115.65 3gtm h LYS 941 Ca -0.10 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 3gtm h LYS 941 Cb 0.74 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3gtm h LYS 941 CO 0.16 0.26 -0.05 0.35 -1.08 0.00 0.00 179.45 179.09 3gtm h PHE 942 N 0.41 -0.13 -0.74 -1.35 3.57 -1.19 -3.24 116.94 114.27 3gtm h PHE 942 Ca 0.64 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.13 3gtm h PHE 942 Cb 1.32 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 3gtm h PHE 942 CO -0.07 0.26 0.42 -0.07 -2.23 0.00 0.00 178.31 176.62 3gtm h LEU 943 N -0.56 0.90 -0.70 0.59 3.38 0.06 -1.00 115.31 117.99 3gtm h LEU 943 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3gtm h LEU 943 Cb 0.45 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3gtm h LEU 943 CO 0.02 0.72 0.00 0.54 0.09 0.00 0.00 178.44 179.82 3gtm n ARG 944 N -4.49 0.10 -0.00 1.13 1.74 -0.53 -0.64 116.66 113.97 3gtm n ARG 944 Ca 0.07 0.50 0.10 0.00 -0.77 0.00 0.00 57.85 57.75 3gtm n ARG 944 Cb 0.08 -1.76 -0.13 0.00 -1.02 0.00 0.00 32.46 29.63 3gtm n ARG 944 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gtm n GLU 945 N -1.95 0.22 -0.02 5.56 1.02 -0.43 -4.02 120.64 121.02 3gtm n GLU 945 Ca 0.00 -0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 57.08 3gtm n GLU 945 Cb 0.09 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3gtm n GLU 945 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gtm h VAL 946 N 0.00 0.00 -3.06 2.62 2.07 -0.33 -3.43 116.25 114.11 3gtm h VAL 946 Ca 0.00 -0.32 -0.73 0.00 0.82 0.00 0.00 66.70 66.48 3gtm h VAL 946 Cb 0.64 0.00 -0.21 0.00 -1.52 0.00 0.00 31.29 30.20 3gtm h VAL 946 CO 0.00 0.00 0.19 -0.36 0.02 0.00 0.00 177.57 177.42 3gtm s PHE 947 N -1.27 3.23 -0.14 1.57 0.40 -0.28 -4.88 117.98 116.61 3gtm s PHE 947 Ca -0.02 -1.32 0.29 0.00 -0.60 0.00 0.00 56.93 55.29 3gtm s PHE 947 Cb 0.00 -3.99 1.01 0.00 0.51 0.00 0.00 43.02 40.56 3gtm s PHE 947 CO 0.03 -1.22 1.84 0.28 0.70 0.00 0.00 175.22 176.85 3gtm h VAL 948 N 5.63 0.00 0.00 -0.44 2.07 -1.83 -2.19 116.25 119.50 3gtm h VAL 948 Ca -0.13 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 3gtm h VAL 948 Cb 1.07 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3gtm h VAL 948 CO 1.01 0.00 -0.25 0.44 0.02 0.00 0.00 177.57 178.79 3gtm h ASP 949 N 0.00 0.00 0.00 0.57 3.32 -1.88 -3.46 116.42 114.96 3gtm h ASP 949 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gtm h ASP 949 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3gtm h ASP 949 CO 0.00 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 3gtm n GLY 950 N -0.60 0.72 3.68 2.75 0.00 -0.82 -4.87 105.19 106.06 3gtm n GLY 950 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 3gtm n GLY 950 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gtm n GLU 951 N -2.00 2.46 -0.08 1.61 4.07 -1.26 -4.74 120.64 120.69 3gtm n GLU 951 Ca 0.00 0.89 -0.06 0.00 -0.06 0.00 0.00 57.16 57.93 3gtm n GLU 951 Cb 0.00 -2.74 -0.16 0.00 -0.06 0.00 0.00 31.44 28.48 3gtm n GLU 951 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3gtm n ALA 952 N 5.28 1.72 -2.61 4.31 0.00 -1.26 -4.90 120.51 123.05 3gtm n ALA 952 Ca 0.19 -1.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.04 3gtm n ALA 952 Cb 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 3gtm n ALA 952 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gtm s ASN 953 N -5.24 6.72 0.01 0.00 0.02 -1.26 -1.17 114.94 114.01 3gtm s ASN 953 Ca -0.09 0.67 -0.06 0.00 -1.02 0.00 0.00 52.86 52.36 3gtm s ASN 953 Cb 0.07 -2.48 -0.00 0.00 0.02 0.00 0.00 41.25 38.86 3gtm s ASN 953 CO 0.81 -0.85 0.11 0.26 0.02 0.00 0.00 177.10 177.45 3gtm s TRP 954 N 3.49 0.10 -0.32 2.20 0.52 -1.01 -4.90 118.94 119.02 3gtm s TRP 954 Ca 0.39 -0.25 -0.27 0.00 0.02 0.00 0.00 56.10 55.98 3gtm s TRP 954 Cb -0.12 -0.08 -0.05 0.00 -1.15 0.00 0.00 33.47 32.07 3gtm s TRP 954 CO 0.18 -0.29 2.20 -1.25 0.02 0.00 0.00 176.95 177.81 3gtm s PRO 955 N -1.61 2.87 -0.05 4.98 0.04 -1.25 -2.52 135.00 137.45 3gtm s PRO 955 Ca -0.13 1.74 -0.06 0.00 0.04 0.00 0.00 61.00 62.59 3gtm s PRO 955 Cb -0.07 -4.41 0.01 0.00 0.04 0.00 0.00 34.50 30.08 3gtm s PRO 955 CO 0.00 -2.41 0.16 -0.51 0.04 0.00 0.00 177.00 174.28 3gtm s LEU 956 N 9.18 1.41 0.69 -3.56 1.43 -0.49 -4.86 118.68 122.48 3gtm s LEU 956 Ca 0.96 0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 54.16 3gtm s LEU 956 Cb -0.27 0.55 0.01 0.00 0.03 0.00 0.00 46.19 46.51 3gtm s LEU 956 CO 0.32 -0.08 1.16 -0.81 0.23 0.00 0.00 176.35 177.16 3gtm n PRO 957 N 2.85 0.76 -2.39 1.29 -0.04 -1.26 -2.65 135.00 133.56 3gtm n PRO 957 Ca -0.13 0.32 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 3gtm n PRO 957 Cb 0.59 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3gtm n PRO 957 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gtm n VAL 958 N -2.32 -8.91 -1.80 0.52 0.31 -1.26 -4.91 118.33 99.96 3gtm n VAL 958 Ca 0.15 1.10 -0.42 0.00 -0.01 0.00 0.00 64.34 65.16 3gtm n VAL 958 Cb 0.49 -6.16 -0.03 0.00 -0.91 0.00 0.00 33.84 27.23 3gtm n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3gtm s ASN 959 N -1.46 6.51 -0.14 4.52 3.84 -1.26 -4.89 114.94 122.05 3gtm s ASN 959 Ca 0.06 2.61 0.04 0.00 0.21 0.00 0.00 52.86 55.78 3gtm s ASN 959 Cb -0.02 -2.56 -0.23 0.00 -0.55 0.00 0.00 41.25 37.89 3gtm s ASN 959 CO 0.55 -0.97 0.28 -0.38 -2.79 0.00 0.00 177.10 173.80 3gtm n ILE 960 N 4.91 1.62 -0.21 -5.21 5.41 -1.26 -3.36 119.36 121.26 3gtm n ILE 960 Ca 0.17 -0.71 -0.00 0.00 1.00 0.00 0.00 62.75 63.21 3gtm n ILE 960 Cb 0.40 -1.28 0.08 0.00 -0.71 0.00 0.00 39.64 38.13 3gtm n ILE 960 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3gtm h ARG 961 N 0.03 0.04 -0.03 0.38 3.08 -1.99 0.25 114.38 116.13 3gtm h ARG 961 Ca -0.44 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 3gtm h ARG 961 Cb 2.04 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 32.08 3gtm h ARG 961 CO 0.04 0.03 -0.03 0.00 -1.07 0.00 0.00 179.97 178.94 3gtm h ARG 962 N 0.04 0.08 0.00 0.04 3.08 -1.98 0.12 114.38 115.76 3gtm h ARG 962 Ca 0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3gtm h ARG 962 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3gtm h ARG 962 CO -0.60 0.52 0.19 0.97 -1.07 0.00 0.00 179.97 179.98 3gtm h ILE 963 N -0.36 0.00 0.01 2.04 2.10 -1.25 0.17 117.51 120.23 3gtm h ILE 963 Ca 0.01 0.00 -0.39 0.00 1.08 0.00 0.00 64.86 65.55 3gtm h ILE 963 Cb 0.50 0.64 -0.06 0.00 -1.09 0.00 0.00 36.82 36.81 3gtm h ILE 963 CO 0.01 0.00 -2.41 -0.38 -1.08 0.00 0.00 178.15 174.29 3gtm n ILE 964 N -2.66 1.53 0.28 2.19 5.41 0.76 -4.14 119.36 122.73 3gtm n ILE 964 Ca -0.02 -0.54 0.13 0.00 1.00 0.00 0.00 62.75 63.32 3gtm n ILE 964 Cb 0.24 -1.54 0.81 0.00 -0.71 0.00 0.00 39.64 38.44 3gtm n ILE 964 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3gtm h GLN 965 N -0.15 0.00 -0.39 0.38 4.20 0.12 -1.00 115.11 118.26 3gtm h GLN 965 Ca -0.58 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 57.99 3gtm h GLN 965 Cb 1.86 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.64 3gtm h GLN 965 CO -0.12 0.04 -0.33 -0.91 -0.67 0.00 0.00 178.83 176.84 3gtm h ASN 966 N 0.00 0.97 0.38 1.46 2.35 -0.95 -2.43 115.58 117.36 3gtm h ASN 966 Ca -0.00 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 55.27 3gtm h ASN 966 Cb 0.09 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3gtm h ASN 966 CO 0.00 1.21 -0.13 0.00 -1.65 0.00 0.00 177.43 176.87 3gtm h ALA 967 N 0.78 1.29 -0.28 -0.83 0.00 -1.38 0.40 119.26 119.26 3gtm h ALA 967 Ca 0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3gtm h ALA 967 Cb 0.92 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3gtm h ALA 967 CO 0.08 0.16 -0.34 1.96 0.00 0.00 0.00 179.25 181.11 3gtm h GLN 968 N 0.00 0.61 -0.01 0.00 1.08 -0.83 -3.26 115.11 112.69 3gtm h GLN 968 Ca -0.00 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3gtm h GLN 968 Cb 0.35 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3gtm h GLN 968 CO 0.02 0.87 -0.11 0.00 -0.95 0.00 0.00 178.83 178.66 3gtm n GLN 969 N -4.06 1.45 -0.04 1.46 -0.00 -1.01 -3.67 117.38 111.52 3gtm n GLN 969 Ca -0.01 -0.72 -0.12 0.00 -0.00 0.00 0.00 57.00 56.15 3gtm n GLN 969 Cb 0.48 -1.08 -0.10 0.00 -0.00 0.00 0.00 30.24 29.54 3gtm n GLN 969 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 3gtm h THR 970 N 1.22 1.36 -0.64 -0.39 2.02 -0.27 -3.34 112.91 112.87 3gtm h THR 970 Ca 0.00 -1.77 -0.17 0.00 0.77 0.00 0.00 66.41 65.24 3gtm h THR 970 Cb 0.31 2.46 -0.10 0.00 -1.74 0.00 0.00 68.15 69.08 3gtm h THR 970 CO 0.00 0.42 0.19 0.49 0.37 0.00 0.00 175.52 176.99 3gtm n PHE 971 N -4.73 2.14 -2.72 3.16 3.01 -1.23 -4.95 117.46 112.13 3gtm n PHE 971 Ca -0.08 -1.15 -0.07 0.00 1.01 0.00 0.00 57.45 57.16 3gtm n PHE 971 Cb 0.35 -0.61 -0.01 0.00 -0.01 0.00 0.00 39.48 39.20 3gtm n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3gtm n HIS 972 N -0.20 -1.84 -1.60 1.38 8.25 -1.26 -4.81 115.22 115.14 3gtm n HIS 972 Ca 0.37 0.09 -0.43 0.00 -0.26 0.00 0.00 57.72 57.48 3gtm n HIS 972 Cb 1.29 -1.40 -0.00 0.00 1.12 0.00 0.00 29.99 31.00 3gtm n HIS 972 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3gtm n ILE 973 N -2.83 2.16 -4.82 1.59 5.41 -1.24 -4.98 119.36 114.65 3gtm n ILE 973 Ca -0.01 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.91 3gtm n ILE 973 Cb 0.51 -1.10 -0.13 0.00 -0.71 0.00 0.00 39.64 38.21 3gtm n ILE 973 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 3gtm s ASP 974 N -0.62 4.19 -0.02 4.38 -4.77 -1.26 -5.00 116.67 113.57 3gtm s ASP 974 Ca 0.60 -0.15 0.03 0.00 -3.30 0.00 0.00 52.55 49.73 3gtm s ASP 974 Cb -0.62 -0.95 0.14 0.00 -1.09 0.00 0.00 42.92 40.40 3gtm s ASP 974 CO 0.59 0.35 0.90 1.41 0.70 0.00 0.00 175.17 179.11 3gtm n HIS 975 N 2.32 0.30 -0.12 2.11 8.25 -1.26 -3.64 115.22 123.17 3gtm n HIS 975 Ca -0.17 -0.12 -0.19 0.00 -0.26 0.00 0.00 57.72 56.98 3gtm n HIS 975 Cb 0.52 -0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.43 3gtm n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gtm n THR 976 N 0.02 1.40 -4.00 1.59 -2.24 -1.26 -4.98 114.28 104.81 3gtm n THR 976 Ca 0.05 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.98 3gtm n THR 976 Cb 0.29 -1.44 -0.10 0.00 -2.10 0.00 0.00 70.33 66.98 3gtm n THR 976 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3gtm s LYS 977 N -2.48 3.95 0.87 -0.78 1.02 -1.24 -5.06 119.74 116.02 3gtm s LYS 977 Ca -0.33 -0.34 -0.15 0.00 0.02 0.00 0.00 55.97 55.17 3gtm s LYS 977 Cb 0.09 -3.21 -0.06 0.00 -0.52 0.00 0.00 37.83 34.13 3gtm s LYS 977 CO 0.54 0.30 -0.02 -2.30 -0.92 0.00 0.00 175.35 172.95 3gtm n PRO 978 N 3.46 -0.02 -2.31 -1.68 -0.02 -1.26 -4.87 135.00 128.31 3gtm n PRO 978 Ca -0.17 0.02 -0.26 0.00 -2.02 0.00 0.00 63.50 61.07 3gtm n PRO 978 Cb 0.52 -1.48 0.05 0.00 -0.02 0.00 0.00 33.50 32.57 3gtm n PRO 978 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gtm s SER 979 N -1.45 5.26 -0.17 2.55 0.15 -0.28 -4.77 113.70 115.00 3gtm s SER 979 Ca 0.53 0.60 0.14 0.00 0.70 0.00 0.00 55.95 57.92 3gtm s SER 979 Cb -0.26 -1.44 0.42 0.00 -1.71 0.00 0.00 66.02 63.03 3gtm s SER 979 CO 0.70 -1.29 1.21 -0.90 1.20 0.00 0.00 173.24 174.16 3gtm n ASP 980 N -2.73 1.58 -4.94 5.45 5.75 -1.26 -2.02 116.55 118.39 3gtm n ASP 980 Ca 0.06 -3.51 -0.26 0.00 -0.01 0.00 0.00 54.79 51.07 3gtm n ASP 980 Cb 0.59 -0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 3gtm n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3gtm s LEU 981 N -2.57 4.25 0.30 -2.12 1.43 -1.26 -4.33 118.68 114.37 3gtm s LEU 981 Ca 0.37 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.85 3gtm s LEU 981 Cb 0.37 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3gtm s LEU 981 CO -0.09 -0.04 0.40 -0.89 0.23 0.00 0.00 176.35 175.95 3gtm s THR 982 N -1.89 4.38 0.28 5.49 2.01 -1.26 -4.79 115.64 119.87 3gtm s THR 982 Ca 0.37 -1.07 0.12 0.00 0.31 0.00 0.00 61.69 61.43 3gtm s THR 982 Cb -0.11 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 68.92 3gtm s THR 982 CO 0.29 -0.22 1.68 0.40 -0.69 0.00 0.00 174.62 176.09 3gtm h ILE 983 N 1.06 1.31 0.00 1.82 2.04 -1.99 -1.96 117.51 119.79 3gtm h ILE 983 Ca -0.48 -1.82 -0.07 0.00 1.00 0.00 0.00 64.86 63.49 3gtm h ILE 983 Cb 1.25 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 3gtm h ILE 983 CO 0.56 0.51 -0.35 0.11 0.00 0.00 0.00 178.15 178.98 3gtm h LYS 984 N 0.00 0.00 -0.18 2.37 1.57 -1.95 -2.58 116.57 115.80 3gtm h LYS 984 Ca -0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3gtm h LYS 984 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3gtm h LYS 984 CO 0.07 0.35 0.08 -0.44 -0.57 0.00 0.00 179.45 178.95 3gtm h ASP 985 N 0.00 0.12 0.02 0.86 5.19 -1.74 -3.15 116.42 117.73 3gtm h ASP 985 Ca -0.00 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3gtm h ASP 985 Cb 0.71 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.20 3gtm h ASP 985 CO 0.05 0.10 -0.01 0.40 -3.12 0.00 0.00 179.24 176.66 3gtm h ILE 986 N 0.19 0.00 -0.88 0.35 2.04 -1.35 -1.98 117.51 115.88 3gtm h ILE 986 Ca 0.07 -0.24 0.15 0.00 1.00 0.00 0.00 64.86 65.84 3gtm h ILE 986 Cb 0.02 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.00 3gtm h ILE 986 CO -0.05 0.00 0.47 0.58 0.00 0.00 0.00 178.15 179.15 3gtm h VAL 987 N -0.27 0.73 0.00 1.67 2.07 -1.65 0.81 116.25 119.62 3gtm h VAL 987 Ca -0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3gtm h VAL 987 Cb 0.02 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 3gtm h VAL 987 CO 0.00 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.89 3gtm n LEU 988 N -4.84 0.06 -0.05 2.57 4.77 -1.19 -2.49 117.00 115.84 3gtm n LEU 988 Ca 0.18 0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 56.65 3gtm n LEU 988 Cb 0.45 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3gtm n LEU 988 CO 0.21 -0.02 -0.15 1.23 -1.33 0.00 0.00 177.39 177.34 3gtm h GLY 989 N 4.88 0.00 -0.55 -0.72 0.00 0.12 -3.15 103.07 103.66 3gtm h GLY 989 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 3gtm h GLY 989 CO 0.00 0.00 -0.20 -2.08 0.00 0.00 0.00 176.54 174.26 3gtm h VAL 990 N -0.74 0.22 -0.74 4.60 2.07 -0.55 0.38 116.25 121.49 3gtm h VAL 990 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3gtm h VAL 990 Cb 0.21 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 3gtm h VAL 990 CO 0.00 0.00 0.45 0.50 0.02 0.00 0.00 177.57 178.54 3gtm h LYS 991 N -0.00 0.82 0.00 1.57 3.64 -1.67 0.51 116.57 121.44 3gtm h LYS 991 Ca 0.37 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3gtm h LYS 991 Cb 0.56 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3gtm h LYS 991 CO -0.80 0.54 0.00 -0.25 -2.27 0.00 0.00 179.45 176.68 3gtm n ASP 992 N -4.68 0.00 -0.10 4.20 8.00 0.08 -1.78 116.55 122.27 3gtm n ASP 992 Ca 0.09 -0.90 -0.14 0.00 0.71 0.00 0.00 54.79 54.55 3gtm n ASP 992 Cb 0.14 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.10 3gtm n ASP 992 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3gtm n LEU 993 N -0.79 1.48 -0.47 0.64 7.94 0.15 -4.26 117.00 121.70 3gtm n LEU 993 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 3gtm n LEU 993 Cb 0.04 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 43.76 3gtm n LEU 993 CO 0.07 0.69 0.17 0.00 -1.11 0.00 0.00 177.39 177.21 3gtm n GLN 994 N -3.04 0.63 0.00 1.96 6.02 -0.74 -0.73 117.38 121.48 3gtm n GLN 994 Ca -0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 3gtm n GLN 994 Cb 1.07 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 31.04 3gtm n GLN 994 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3gtm n GLU 995 N 0.14 -0.36 0.00 -1.09 -0.58 -1.25 -4.77 120.64 112.73 3gtm n GLU 995 Ca 0.00 -0.28 0.02 0.00 -0.42 0.00 0.00 57.16 56.48 3gtm n GLU 995 Cb 0.15 -0.74 -0.02 0.00 -0.57 0.00 0.00 31.44 30.26 3gtm n GLU 995 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3gtm n ASN 996 N -0.01 0.43 -3.68 1.62 4.13 0.09 -4.82 115.26 113.01 3gtm n ASN 996 Ca 0.00 -0.72 -0.41 0.00 1.68 0.00 0.00 54.58 55.13 3gtm n ASN 996 Cb 0.15 0.83 0.00 0.00 -1.54 0.00 0.00 39.78 39.21 3gtm n ASN 996 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3gtm n LEU 997 N -0.86 7.32 -4.79 3.41 4.77 -1.14 -5.00 117.00 120.71 3gtm n LEU 997 Ca 0.01 -4.80 -0.35 0.00 -0.03 0.00 0.00 56.01 50.84 3gtm n LEU 997 Cb 0.08 -1.41 -0.04 0.00 -2.33 0.00 0.00 43.42 39.73 3gtm n LEU 997 CO 0.08 1.73 0.72 -0.76 -1.33 0.00 0.00 177.39 177.83 3gtm s LEU 998 N -1.29 3.93 0.00 2.23 1.02 -1.26 -4.94 118.68 118.37 3gtm s LEU 998 Ca 0.46 1.95 0.00 0.00 0.02 0.00 0.00 54.13 56.56 3gtm s LEU 998 Cb 0.14 -4.46 0.00 0.00 0.02 0.00 0.00 46.19 41.89 3gtm s LEU 998 CO -0.04 -0.69 0.00 0.52 0.02 0.00 0.00 176.35 176.16 3gtm n VAL 999 N -0.72 0.00 -1.57 -1.59 0.31 -1.26 -4.91 118.33 108.59 3gtm n VAL 999 Ca 0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.12 3gtm n VAL 999 Cb 0.52 -0.57 0.11 0.00 -0.91 0.00 0.00 33.84 32.99 3gtm n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3gtm s LEU 1000N -4.38 2.31 0.00 7.52 1.43 -1.26 -5.03 118.68 119.28 3gtm s LEU 1000Ca 0.00 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 3gtm s LEU 1000Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 3gtm s LEU 1000CO 0.00 -2.24 0.68 0.54 0.23 0.00 0.00 176.35 175.56 3gtm n ARG 1001N -3.58 0.00 -0.97 1.70 1.74 -1.26 -5.00 116.66 109.29 3gtm n ARG 1001Ca 0.07 -0.65 -0.35 0.00 -0.77 0.00 0.00 57.85 56.15 3gtm n ARG 1001Cb 0.58 -0.44 0.07 0.00 -1.02 0.00 0.00 32.46 31.65 3gtm n ARG 1001CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gtm n GLY 1002N 0.00 -3.13 0.10 -0.13 0.00 -1.26 -4.93 105.19 95.84 3gtm n GLY 1002Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 3gtm n GLY 1002CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gtm h LYS 1003N -1.08 0.18 0.00 1.61 1.63 -2.00 -3.43 116.57 113.49 3gtm h LYS 1003Ca -0.44 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.06 3gtm h LYS 1003Cb 1.31 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.05 3gtm h LYS 1003CO 0.31 1.01 0.00 0.27 -3.45 0.00 0.00 179.45 177.59 3gtm n ASN 1004N -3.38 0.50 0.32 4.20 2.04 -1.26 -4.96 115.26 112.71 3gtm n ASN 1004Ca -0.14 -0.87 -0.12 0.00 -0.44 0.00 0.00 54.58 53.00 3gtm n ASN 1004Cb 1.03 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 38.22 3gtm n ASN 1004CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3gtm h GLU 1005N 0.00 -0.78 -0.56 -3.83 4.57 -1.97 -2.69 114.58 109.32 3gtm h GLU 1005Ca 0.00 0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.40 3gtm h GLU 1005Cb 0.00 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3gtm h GLU 1005CO 0.00 -0.52 0.42 0.82 -1.18 0.00 0.00 179.01 178.55 3gtm h ILE 1006N -0.81 0.67 0.00 2.32 2.04 -1.97 0.12 117.51 119.88 3gtm h ILE 1006Ca -0.08 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 3gtm h ILE 1006Cb 0.62 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3gtm h ILE 1006CO 0.14 0.00 -0.33 0.40 0.00 0.00 0.00 178.15 178.36 3gtm h ILE 1007N 0.00 1.24 0.00 -0.67 1.08 -1.94 -3.15 117.51 114.07 3gtm h ILE 1007Ca 0.27 -2.05 0.00 0.00 -0.39 0.00 0.00 64.86 62.69 3gtm h ILE 1007Cb 1.10 2.47 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 3gtm h ILE 1007CO -0.00 0.42 0.00 0.00 -0.69 0.00 0.00 178.15 177.88 3gtm n GLN 1008N -4.59 0.10 0.00 2.37 1.13 -0.88 0.55 117.38 116.06 3gtm n GLN 1008Ca -0.14 0.36 0.10 0.00 -1.94 0.00 0.00 57.00 55.38 3gtm n GLN 1008Cb 0.45 -1.69 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 3gtm n GLN 1008CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3gtm n ASN 1009N -1.88 1.11 -0.03 1.08 2.85 0.36 -3.14 115.26 115.62 3gtm n ASN 1009Ca 0.03 -1.01 0.06 0.00 -0.11 0.00 0.00 54.58 53.54 3gtm n ASN 1009Cb 0.19 0.85 -0.16 0.00 1.24 0.00 0.00 39.78 41.89 3gtm n ASN 1009CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gtm n ALA 1010N -1.27 2.47 -0.12 5.20 0.00 -0.49 -4.34 120.51 121.97 3gtm n ALA 1010Ca 0.05 -0.69 -0.11 0.00 0.00 0.00 0.00 53.44 52.69 3gtm n ALA 1010Cb 0.35 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 3gtm n ALA 1010CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3gtm h GLN 1011N 0.00 0.60 -0.85 0.00 5.75 0.01 -2.66 115.11 117.95 3gtm h GLN 1011Ca -0.13 -0.18 0.20 0.00 -0.15 0.00 0.00 58.65 58.39 3gtm h GLN 1011Cb 1.26 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.70 3gtm h GLN 1011CO 0.01 0.71 0.58 0.00 -2.65 0.00 0.00 178.83 177.47 3gtm h ARG 1012N 0.42 0.31 -0.16 1.69 3.08 -1.74 -2.59 114.38 115.39 3gtm h ARG 1012Ca 0.10 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.94 3gtm h ARG 1012Cb 0.43 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.41 3gtm h ARG 1012CO 0.01 0.21 -0.64 -0.44 -1.07 0.00 0.00 179.97 178.04 3gtm h ASP 1013N 0.32 0.84 0.37 7.04 3.32 -1.68 -0.60 116.42 126.03 3gtm h ASP 1013Ca 0.43 -0.61 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3gtm h ASP 1013Cb 1.19 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 3gtm h ASP 1013CO -0.13 1.32 -0.14 0.00 -1.72 0.00 0.00 179.24 178.57 3gtm h ALA 1014N 0.55 1.32 0.00 3.45 0.00 -1.36 -2.91 119.26 120.31 3gtm h ALA 1014Ca -0.03 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.44 3gtm h ALA 1014Cb 1.27 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 3gtm h ALA 1014CO 0.13 0.17 -1.91 0.28 0.00 0.00 0.00 179.25 177.92 3gtm n VAL 1015N -3.71 1.55 -0.24 0.00 0.31 -1.14 -4.57 118.33 110.54 3gtm n VAL 1015Ca -0.02 -0.81 0.03 0.00 -0.01 0.00 0.00 64.34 63.54 3gtm n VAL 1015Cb 0.25 -0.90 0.08 0.00 -0.91 0.00 0.00 33.84 32.36 3gtm n VAL 1015CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3gtm n THR 1016N -2.98 -0.29 0.11 2.52 -1.04 -0.25 -0.74 114.28 111.61 3gtm n THR 1016Ca -0.22 1.53 -0.12 0.00 -2.04 0.00 0.00 64.05 63.19 3gtm n THR 1016Cb 1.08 -2.10 -0.08 0.00 -1.82 0.00 0.00 70.33 67.41 3gtm n THR 1016CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3gtm h LEU 1017N 0.00 -0.27 -1.29 -4.42 5.85 -1.80 -3.12 115.31 110.26 3gtm h LEU 1017Ca 0.30 -0.24 0.27 0.00 0.84 0.00 0.00 57.88 59.05 3gtm h LEU 1017Cb 0.47 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.47 3gtm h LEU 1017CO -0.68 0.15 0.66 0.15 -0.34 0.00 0.00 178.44 178.38 3gtm h PHE 1018N -0.75 0.73 -0.37 1.25 3.57 -1.21 -0.61 116.94 119.54 3gtm h PHE 1018Ca -0.03 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 3gtm h PHE 1018Cb 0.50 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3gtm h PHE 1018CO 0.04 0.04 -0.21 0.00 -2.23 0.00 0.00 178.31 175.96 3gtm h LEU 1021N 1.08 0.68 0.19 0.00 5.85 -1.34 0.11 115.31 121.88 3gtm h LEU 1021Ca 0.32 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 3gtm h LEU 1021Cb -0.05 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3gtm h LEU 1021CO -0.09 0.42 -0.09 0.25 -0.34 0.00 0.00 178.44 178.59 3gtm h LEU 1022N 0.76 -0.22 -2.60 2.25 5.85 0.00 -2.55 115.31 118.81 3gtm h LEU 1022Ca 0.35 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3gtm h LEU 1022Cb 0.36 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3gtm h LEU 1022CO -0.13 0.30 -0.01 0.03 -0.34 0.00 0.00 178.44 178.29 3gtm h ARG 1023N -0.85 0.00 -0.26 1.25 3.08 -0.43 0.59 114.38 117.76 3gtm h ARG 1023Ca -0.03 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 3gtm h ARG 1023Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3gtm h ARG 1023CO 0.04 0.01 -0.13 1.03 -1.07 0.00 0.00 179.97 179.86 3gtm h SER 1024N 0.00 0.56 0.10 7.04 0.87 -0.59 -3.30 113.55 118.23 3gtm h SER 1024Ca -0.00 -0.41 -0.37 0.00 -1.23 0.00 0.00 61.79 59.78 3gtm h SER 1024Cb 0.10 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 3gtm h SER 1024CO 0.00 0.85 -2.18 0.54 -0.53 0.00 0.00 176.83 175.51 3gtm n ARG 1025N -4.46 0.70 -1.28 2.24 5.12 -0.82 -4.49 116.66 113.67 3gtm n ARG 1025Ca -0.04 0.20 -0.25 0.00 -1.93 0.00 0.00 57.85 55.83 3gtm n ARG 1025Cb 0.36 -1.63 0.01 0.00 -1.16 0.00 0.00 32.46 30.03 3gtm n ARG 1025CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3gtm n LEU 1026N -3.31 6.76 -4.98 0.55 4.77 0.20 -4.31 117.00 116.68 3gtm n LEU 1026Ca -0.36 -3.88 -0.20 0.00 -0.03 0.00 0.00 56.01 51.54 3gtm n LEU 1026Cb 1.04 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3gtm n LEU 1026CO 0.37 1.50 0.14 0.00 -1.33 0.00 0.00 177.39 178.07 3gtm s ALA 1027N -2.29 4.16 0.00 -1.18 0.00 -1.24 -4.81 121.76 116.40 3gtm s ALA 1027Ca 0.49 -1.40 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 3gtm s ALA 1027Cb 0.35 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 3gtm s ALA 1027CO -0.13 -0.18 0.74 1.15 0.00 0.00 0.00 175.76 177.35 3gtm h THR 1028N 0.71 0.00 0.00 0.00 2.02 -1.90 0.16 112.91 113.89 3gtm h THR 1028Ca -0.45 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3gtm h THR 1028Cb 1.26 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3gtm h THR 1028CO 0.53 0.00 0.39 0.03 0.37 0.00 0.00 175.52 176.84 3gtm h ARG 1029N -0.38 0.00 0.00 6.66 2.47 -1.86 -1.20 114.38 120.07 3gtm h ARG 1029Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3gtm h ARG 1029Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3gtm h ARG 1029CO 0.04 0.00 -0.14 0.00 0.56 0.00 0.00 179.97 180.44 3gtm h ARG 1030N 0.00 0.00 -0.91 0.04 3.08 -1.73 -3.23 114.38 111.63 3gtm h ARG 1030Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.20 3gtm h ARG 1030Cb 0.78 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.74 3gtm h ARG 1030CO 0.00 0.00 0.52 0.28 -1.07 0.00 0.00 179.97 179.70 3gtm h VAL 1031N -0.62 0.78 0.04 2.04 2.07 0.48 0.42 116.25 121.46 3gtm h VAL 1031Ca 0.00 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.11 3gtm h VAL 1031Cb 0.14 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 3gtm h VAL 1031CO 0.00 0.14 -0.81 -0.07 0.02 0.00 0.00 177.57 176.84 3gtm h LEU 1032N 0.75 0.12 0.19 2.57 4.07 -1.59 -2.86 115.31 118.56 3gtm h LEU 1032Ca 0.49 -0.79 -0.33 0.00 0.08 0.00 0.00 57.88 57.33 3gtm h LEU 1032Cb 0.65 -0.04 0.02 0.00 1.08 0.00 0.00 40.66 42.37 3gtm h LEU 1032CO -0.34 1.34 -1.54 -0.61 -1.08 0.00 0.00 178.44 176.21 3gtm h GLN 1033N -0.80 0.41 0.00 1.13 4.15 -1.54 -3.14 115.11 115.32 3gtm h GLN 1033Ca -0.20 -0.70 -0.13 0.00 0.77 0.00 0.00 58.65 58.38 3gtm h GLN 1033Cb 1.32 0.26 -0.02 0.00 0.21 0.00 0.00 27.48 29.26 3gtm h GLN 1033CO -0.05 1.32 -0.72 0.93 -1.93 0.00 0.00 178.83 178.38 3gtm h GLU 1034N 0.11 0.01 -0.01 1.69 5.08 -1.03 -3.42 114.58 117.01 3gtm h GLU 1034Ca -0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3gtm h GLU 1034Cb 2.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.35 3gtm h GLU 1034CO 0.22 1.01 -0.48 2.48 -1.00 0.00 0.00 179.01 181.23 3gtm n TYR 1035N -4.50 0.00 -3.40 4.33 0.18 -1.18 -5.06 117.16 107.53 3gtm n TYR 1035Ca -0.22 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.42 3gtm n TYR 1035Cb 0.60 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 3gtm n TYR 1035CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3gtm n ARG 1036N -0.57 -1.52 -2.96 -3.48 5.12 -1.10 -4.99 116.66 107.16 3gtm n ARG 1036Ca 0.05 1.20 -0.27 0.00 -1.93 0.00 0.00 57.85 56.91 3gtm n ARG 1036Cb 0.31 -3.98 -0.01 0.00 -1.16 0.00 0.00 32.46 27.62 3gtm n ARG 1036CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3gtm s LEU 1037N -4.26 3.81 0.34 0.55 1.43 -1.13 -4.90 118.68 114.52 3gtm s LEU 1037Ca 0.04 0.77 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 3gtm s LEU 1037Cb -0.01 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3gtm s LEU 1037CO 0.82 -0.44 0.16 0.42 0.23 0.00 0.00 176.35 177.55 3gtm s THR 1038N -2.51 3.05 0.38 5.49 -4.23 -1.26 -4.65 115.64 111.91 3gtm s THR 1038Ca 0.45 -1.66 0.14 0.00 -1.18 0.00 0.00 61.69 59.44 3gtm s THR 1038Cb -0.10 -3.00 0.36 0.00 1.34 0.00 0.00 72.50 71.10 3gtm s THR 1038CO 0.40 -0.17 1.83 0.50 -0.54 0.00 0.00 174.62 176.63 3gtm h LYS 1039N 1.51 0.50 0.15 3.99 1.63 -1.97 0.45 116.57 122.84 3gtm h LYS 1039Ca -0.44 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.33 3gtm h LYS 1039Cb 1.25 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 3gtm h LYS 1039CO 0.63 0.33 -0.07 0.37 -3.45 0.00 0.00 179.45 177.25 3gtm h GLN 1040N 0.51 -0.20 -0.03 1.90 4.15 -1.94 -2.79 115.11 116.70 3gtm h GLN 1040Ca 0.51 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.83 3gtm h GLN 1040Cb 1.11 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 3gtm h GLN 1040CO -0.24 0.23 -0.48 0.00 -1.93 0.00 0.00 178.83 176.41 3gtm h ALA 1041N -0.07 1.14 -0.15 3.38 0.00 -1.78 -1.54 119.26 120.24 3gtm h ALA 1041Ca -0.02 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 3gtm h ALA 1041Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3gtm h ALA 1041CO 0.03 0.62 -0.54 0.35 0.00 0.00 0.00 179.25 179.71 3gtm h PHE 1042N 0.07 0.54 -0.12 0.00 3.57 -0.22 -0.97 116.94 119.80 3gtm h PHE 1042Ca 0.00 -0.19 -0.16 0.00 3.53 0.00 0.00 57.97 61.15 3gtm h PHE 1042Cb 0.87 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3gtm h PHE 1042CO 0.01 0.88 -0.61 -0.44 -2.23 0.00 0.00 178.31 175.92 3gtm h ASP 1043N 0.34 0.48 -0.47 0.41 3.32 -1.23 -2.69 116.42 116.57 3gtm h ASP 1043Ca 0.01 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 3gtm h ASP 1043Cb 1.05 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 3gtm h ASP 1043CO 0.09 0.97 -0.09 -0.25 -1.72 0.00 0.00 179.24 178.24 3gtm h TRP 1044N 0.31 1.00 -0.65 4.55 7.01 -1.07 -0.14 115.95 126.95 3gtm h TRP 1044Ca -0.01 -0.21 -0.04 0.00 2.11 0.00 0.00 58.89 60.75 3gtm h TRP 1044Cb 1.14 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.93 3gtm h TRP 1044CO 0.04 0.97 0.25 0.28 -2.79 0.00 0.00 178.44 177.19 3gtm h VAL 1045N 0.74 1.24 -0.58 2.65 2.07 -1.18 -0.14 116.25 121.05 3gtm h VAL 1045Ca 0.12 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 3gtm h VAL 1045Cb 0.63 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3gtm h VAL 1045CO 0.04 0.30 0.13 -0.07 0.02 0.00 0.00 177.57 177.99 3gtm h LEU 1046N 0.92 0.89 -1.24 2.57 3.38 -1.34 -0.08 115.31 120.42 3gtm h LEU 1046Ca 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3gtm h LEU 1046Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3gtm h LEU 1046CO -0.02 0.90 0.14 -1.28 0.09 0.00 0.00 178.44 178.28 3gtm h SER 1047N 0.84 0.61 0.25 -0.43 0.87 -0.68 -2.93 113.55 112.07 3gtm h SER 1047Ca 0.18 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3gtm h SER 1047Cb 0.37 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3gtm h SER 1047CO 0.00 0.59 -0.12 0.78 -0.53 0.00 0.00 176.83 177.55 3gtm h ASN 1048N 0.66 -0.28 -0.83 6.23 -0.26 -0.72 -3.28 115.58 117.09 3gtm h ASN 1048Ca 0.15 -0.23 0.15 0.00 -0.56 0.00 0.00 56.30 55.82 3gtm h ASN 1048Cb 0.20 0.07 -0.10 0.00 -1.06 0.00 0.00 38.32 37.43 3gtm h ASN 1048CO -0.01 0.21 0.40 0.40 -1.06 0.00 0.00 177.43 177.37 3gtm h ILE 1049N -0.92 0.69 0.50 2.81 2.04 -0.94 -0.29 117.51 121.39 3gtm h ILE 1049Ca -0.03 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3gtm h ILE 1049Cb 0.50 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3gtm h ILE 1049CO 0.06 0.10 -0.25 -0.08 0.00 0.00 0.00 178.15 177.97 3gtm h GLU 1050N 0.56 -0.67 0.07 2.37 4.81 -1.67 -1.98 114.58 118.07 3gtm h GLU 1050Ca 0.46 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.76 3gtm h GLU 1050Cb 0.69 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 3gtm h GLU 1050CO -0.39 -0.45 -0.45 0.00 -0.73 0.00 0.00 179.01 177.00 3gtm h ALA 1051N -0.20 -0.77 0.00 2.92 0.00 -1.19 0.64 119.26 120.66 3gtm h ALA 1051Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gtm h ALA 1051Cb 0.54 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3gtm h ALA 1051CO 0.10 -1.01 0.00 0.94 0.00 0.00 0.00 179.25 179.28 3gtm n GLN 1052N -5.47 0.13 0.04 0.00 7.27 -0.28 -0.48 117.38 118.60 3gtm n GLN 1052Ca -0.07 0.45 -0.13 0.00 0.07 0.00 0.00 57.00 57.32 3gtm n GLN 1052Cb 0.38 -1.79 -0.14 0.00 2.41 0.00 0.00 30.24 31.10 3gtm n GLN 1052CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 3gtm h PHE 1053N 0.00 0.25 -0.28 3.69 3.57 -0.46 -3.10 116.94 120.61 3gtm h PHE 1053Ca 0.00 -0.19 -0.16 0.00 3.53 0.00 0.00 57.97 61.16 3gtm h PHE 1053Cb 0.23 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3gtm h PHE 1053CO 0.00 1.24 -0.45 -0.07 -2.23 0.00 0.00 178.31 176.80 3gtm h LEU 1054N 0.04 0.78 -0.57 0.59 3.38 0.15 -2.34 115.31 117.33 3gtm h LEU 1054Ca -0.22 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3gtm h LEU 1054Cb 1.97 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3gtm h LEU 1054CO 0.13 1.12 0.00 0.54 0.09 0.00 0.00 178.44 180.32 3gtm n ARG 1055N -4.02 0.22 0.18 1.13 1.74 0.03 -2.75 116.66 113.19 3gtm n ARG 1055Ca -0.03 0.39 0.12 0.00 -0.77 0.00 0.00 57.85 57.56 3gtm n ARG 1055Cb 0.56 -1.88 0.14 0.00 -1.02 0.00 0.00 32.46 30.27 3gtm n ARG 1055CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3gtm h SER 1056N 0.00 0.00 -4.01 0.55 0.02 -1.34 -3.47 113.55 105.31 3gtm h SER 1056Ca 0.00 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 3gtm h SER 1056Cb 0.46 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.10 3gtm h SER 1056CO 0.00 0.00 0.59 -0.69 -1.14 0.00 0.00 176.83 175.59 3gtm s VAL 1057N -3.24 2.48 0.41 2.27 1.01 -1.11 -1.38 120.40 120.84 3gtm s VAL 1057Ca 0.05 0.39 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 3gtm s VAL 1057Cb 0.07 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 3gtm s VAL 1057CO 0.70 0.02 1.09 0.54 0.00 0.00 0.00 175.10 177.44 3gtm s VAL 1058N -1.35 3.53 -0.11 2.92 0.11 -1.00 -4.39 120.40 120.11 3gtm s VAL 1058Ca 0.65 1.17 -0.19 0.00 -2.93 0.00 0.00 61.98 60.68 3gtm s VAL 1058Cb -0.37 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 3gtm s VAL 1058CO 0.45 0.01 0.52 -1.00 -3.33 0.00 0.00 175.10 171.76 3gtm s HIS 1059N -1.61 3.52 0.05 1.54 3.76 -1.26 -4.90 115.29 116.39 3gtm s HIS 1059Ca 0.59 0.96 -0.33 0.00 -0.15 0.00 0.00 55.06 56.13 3gtm s HIS 1059Cb -0.24 -2.61 -0.11 0.00 1.11 0.00 0.00 32.58 30.73 3gtm s HIS 1059CO 0.30 0.14 1.82 -2.30 -0.85 0.00 0.00 174.74 173.86 3gtm n PRO 1060N 3.73 2.49 0.00 8.40 -0.02 -1.26 -2.07 135.00 146.27 3gtm n PRO 1060Ca -0.06 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3gtm n PRO 1060Cb 0.51 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3gtm n PRO 1060CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gtm n GLY 1061N 4.18 3.50 3.68 -1.23 0.00 0.07 -4.89 105.19 110.49 3gtm n GLY 1061Ca 0.20 -0.86 -0.60 0.00 0.00 0.00 0.00 46.02 44.75 3gtm n GLY 1061CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtm n GLU 1062N 0.00 0.63 -2.07 1.61 -0.58 -0.88 -2.61 120.64 116.74 3gtm n GLU 1062Ca 0.00 0.23 -0.42 0.00 -0.42 0.00 0.00 57.16 56.55 3gtm n GLU 1062Cb 0.00 -1.82 -0.00 0.00 -0.57 0.00 0.00 31.44 29.05 3gtm n GLU 1062CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3gtm n MET 1063N 3.97 3.61 -0.16 3.49 2.81 -1.26 -2.10 117.12 127.47 3gtm n MET 1063Ca 0.26 -3.21 0.11 0.00 -1.81 0.00 0.00 57.70 53.04 3gtm n MET 1063Cb 0.07 -2.95 0.43 0.00 -0.71 0.00 0.00 33.22 30.06 3gtm n MET 1063CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3gtm h VAL 1064N 3.57 0.91 -0.06 2.03 2.07 -1.85 -2.24 116.25 120.68 3gtm h VAL 1064Ca 0.52 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.84 3gtm h VAL 1064Cb 0.55 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3gtm h VAL 1064CO 1.68 0.11 -0.05 1.23 0.02 0.00 0.00 177.57 180.55 3gtm h GLY 1065N 0.58 -2.07 0.62 2.17 0.00 -0.88 1.83 103.07 105.32 3gtm h GLY 1065Ca 0.33 0.92 0.06 0.00 0.00 0.00 0.00 47.33 48.64 3gtm h GLY 1065CO -0.11 -0.76 0.19 -2.08 0.00 0.00 0.00 176.54 173.78 3gtm h VAL 1066N -0.03 0.88 -0.19 4.60 2.07 -1.56 -0.88 116.25 121.14 3gtm h VAL 1066Ca 0.01 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3gtm h VAL 1066Cb 0.05 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3gtm h VAL 1066CO -0.07 0.07 0.01 0.25 0.02 0.00 0.00 177.57 177.85 3gtm h LEU 1067N 0.38 -0.06 -1.04 2.57 5.85 -0.75 -1.97 115.31 120.30 3gtm h LEU 1067Ca 0.22 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 3gtm h LEU 1067Cb 0.19 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3gtm h LEU 1067CO -0.20 -0.00 -0.09 0.00 -0.34 0.00 0.00 178.44 177.80 3gtm h ALA 1068N 1.15 1.20 0.54 1.25 0.00 0.31 -2.90 119.26 120.81 3gtm h ALA 1068Ca 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3gtm h ALA 1068Cb 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gtm h ALA 1068CO -0.14 0.52 -0.26 0.00 0.00 0.00 0.00 179.25 179.37 3gtm h ALA 1069N 1.37 -1.13 -0.77 0.00 0.00 -0.64 -3.14 119.26 114.94 3gtm h ALA 1069Ca 0.10 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.03 3gtm h ALA 1069Cb 0.49 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.42 3gtm h ALA 1069CO 0.03 -1.08 0.03 1.96 0.00 0.00 0.00 179.25 180.19 3gtm h GLN 1070N -0.76 0.11 0.00 0.00 4.20 -1.42 0.19 115.11 117.43 3gtm h GLN 1070Ca -0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3gtm h GLN 1070Cb 0.55 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3gtm h GLN 1070CO 0.12 0.07 0.14 0.77 -0.67 0.00 0.00 178.83 179.27 3gtm h SER 1071N 0.11 0.00 0.00 1.46 0.02 -1.47 1.11 113.55 114.78 3gtm h SER 1071Ca 0.43 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.08 3gtm h SER 1071Cb 0.77 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.26 3gtm h SER 1071CO -0.67 0.00 -2.15 -0.38 -1.14 0.00 0.00 176.83 172.49 3gtm n ILE 1072N -2.35 1.16 0.96 3.27 5.41 0.53 -4.42 119.36 123.92 3gtm n ILE 1072Ca -0.01 -0.56 0.14 0.00 1.00 0.00 0.00 62.75 63.31 3gtm n ILE 1072Cb 0.18 -0.95 0.59 0.00 -0.71 0.00 0.00 39.64 38.76 3gtm n ILE 1072CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gtm n GLY 1073N 2.29 -1.47 0.10 7.39 0.00 0.05 -1.74 105.19 111.80 3gtm n GLY 1073Ca -0.32 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 3gtm n GLY 1073CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gtm h GLU 1074N 0.00 0.17 0.00 1.61 4.22 0.94 -3.09 114.58 118.43 3gtm h GLU 1074Ca 0.00 -0.28 -0.06 0.00 0.08 0.00 0.00 59.36 59.10 3gtm h GLU 1074Cb 0.49 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3gtm h GLU 1074CO 0.00 1.11 -0.59 -1.35 -2.18 0.00 0.00 179.01 176.00 3gtm h PRO 1075N -0.61 0.00 0.00 0.92 0.11 -1.77 -2.77 132.00 127.87 3gtm h PRO 1075Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3gtm h PRO 1075Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 3gtm h PRO 1075CO 0.08 0.20 -0.10 0.00 -0.21 0.00 0.00 178.00 177.98 3gtm h ALA 1076N 1.75 1.22 0.00 -0.75 0.00 -1.47 -0.26 119.26 119.76 3gtm h ALA 1076Ca -0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3gtm h ALA 1076Cb 1.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3gtm h ALA 1076CO 0.03 0.12 -0.56 1.15 0.00 0.00 0.00 179.25 179.99 3gtm h THR 1077N 0.00 0.98 0.00 0.00 2.02 -1.40 -3.13 112.91 111.38 3gtm h THR 1077Ca -0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 3gtm h THR 1077Cb 0.33 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 3gtm h THR 1077CO 0.01 0.54 0.00 0.00 0.37 0.00 0.00 175.52 176.45 3gtm n GLN 1078N -3.27 0.23 -2.22 6.66 1.13 -0.16 -4.90 117.38 114.85 3gtm n GLN 1078Ca 0.01 0.19 -0.42 0.00 -1.94 0.00 0.00 57.00 54.85 3gtm n GLN 1078Cb 0.74 -1.77 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 3gtm n GLN 1078CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3gtm s MET 1079N -3.09 4.37 -0.18 -1.09 -1.94 -0.85 -4.97 119.30 111.54 3gtm s MET 1079Ca 0.11 2.04 -0.29 0.00 -1.71 0.00 0.00 55.69 55.84 3gtm s MET 1079Cb 0.13 -3.22 -0.01 0.00 2.01 0.00 0.00 34.83 33.74 3gtm s MET 1079CO 0.59 -0.32 1.16 0.99 -0.01 0.00 0.00 175.02 177.43 3gtm s THR 1080N 0.52 4.45 0.50 2.05 2.01 -1.26 -4.85 115.64 119.07 3gtm s THR 1080Ca 0.60 1.76 -0.21 0.00 0.31 0.00 0.00 61.69 64.14 3gtm s THR 1080Cb -0.36 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 67.95 3gtm s THR 1080CO 0.35 -0.14 1.17 -0.22 -0.69 0.00 0.00 174.62 175.09 3gtm s LEU 1081N 3.24 3.89 -0.09 4.42 1.98 -1.26 -4.03 118.68 126.83 3gtm s LEU 1081Ca 0.50 2.30 -0.05 0.00 -2.89 0.00 0.00 54.13 53.99 3gtm s LEU 1081Cb -0.19 -4.38 0.01 0.00 0.66 0.00 0.00 46.19 42.28 3gtm s LEU 1081CO 0.12 -1.10 0.11 -0.46 -1.89 0.00 0.00 176.35 173.12 3gtm n ASN 1082N -0.87 -0.87 -0.09 3.68 6.94 -1.26 -4.87 115.26 117.92 3gtm n ASN 1082Ca 0.09 -0.05 -0.10 0.00 -0.02 0.00 0.00 54.58 54.50 3gtm n ASN 1082Cb 0.49 -0.26 -0.04 0.00 -2.36 0.00 0.00 39.78 37.61 3gtm n ASN 1082CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3gtm n THR 1083N -0.19 1.47 -2.44 5.53 -1.04 -1.26 -5.07 114.28 111.27 3gtm n THR 1083Ca -0.02 0.11 -0.04 0.00 -2.04 0.00 0.00 64.05 62.06 3gtm n THR 1083Cb 0.11 -2.30 -0.03 0.00 -1.82 0.00 0.00 70.33 66.29 3gtm n THR 1083CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3gtm n PHE 1084N -4.51 -3.69 -0.02 -1.42 3.01 -1.26 -4.76 117.46 104.80 3gtm n PHE 1084Ca -0.16 2.04 0.06 0.00 1.01 0.00 0.00 57.45 60.40 3gtm n PHE 1084Cb 0.45 -3.56 0.26 0.00 -0.01 0.00 0.00 39.48 36.62 3gtm n PHE 1084CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 3gtm n HIS 1085N 1.23 1.12 -0.01 1.38 8.25 -1.26 -3.70 115.22 122.24 3gtm n HIS 1085Ca -0.28 -0.43 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 3gtm n HIS 1085Cb 0.43 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3gtm n HIS 1085CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gtm n PHE 1086N 0.67 0.00 -1.94 4.41 0.99 -1.26 -4.96 117.46 115.37 3gtm n PHE 1086Ca 0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.21 3gtm n PHE 1086Cb 0.71 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.16 3gtm n PHE 1086CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gtm s ALA 1087N -0.68 3.64 0.00 4.37 0.00 -1.24 -1.75 121.76 126.10 3gtm s ALA 1087Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3gtm s ALA 1087Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3gtm s ALA 1087CO 0.00 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 174.90 3gtm n GLY 1088N 4.10 3.47 3.05 0.00 0.00 -1.26 -4.50 105.19 110.04 3gtm n GLY 1088Ca 0.17 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 3gtm n GLY 1088CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtm n VAL 1089N 0.00 5.05 -0.31 1.61 0.31 -0.71 -4.90 118.33 119.38 3gtm n VAL 1089Ca 0.00 -5.79 -0.29 0.00 -0.01 0.00 0.00 64.34 58.24 3gtm n VAL 1089Cb 0.00 -2.18 0.28 0.00 -0.91 0.00 0.00 33.84 31.02 3gtm n VAL 1089CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtm n ALA 1090N 1.58 -4.38 -0.54 3.52 0.00 -1.26 -3.31 120.51 116.13 3gtm n ALA 1090Ca 0.26 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 51.98 3gtm n ALA 1090Cb 0.35 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3gtm n ALA 1090CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gtm n SER 1091N -5.20 -0.41 -2.74 0.00 3.41 -1.26 -4.63 113.62 102.79 3gtm n SER 1091Ca 0.10 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.66 3gtm n SER 1091Cb 0.57 -2.56 0.04 0.00 -0.26 0.00 0.00 64.21 62.00 3gtm n SER 1091CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3gtm n LYS 1092N -1.79 1.39 -3.52 4.33 3.00 -1.21 -5.11 118.16 115.25 3gtm n LYS 1092Ca 0.00 -3.30 -0.34 0.00 -0.00 0.00 0.00 58.31 54.67 3gtm n LYS 1092Cb 0.03 -1.35 -0.05 0.00 0.00 0.00 0.00 35.03 33.66 3gtm n LYS 1092CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3gtm s LYS 1093N -3.31 3.79 0.02 1.64 1.02 -1.26 -4.93 119.74 116.71 3gtm s LYS 1093Ca 0.27 0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.49 3gtm s LYS 1093Cb 0.40 -2.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 3gtm s LYS 1093CO 0.00 0.50 -0.06 0.08 -0.92 0.00 0.00 175.35 174.94 3gtm s VAL 1094N -1.51 0.47 0.23 3.17 1.01 -1.26 -4.91 120.40 117.60 3gtm s VAL 1094Ca 0.37 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 3gtm s VAL 1094Cb -0.13 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 3gtm s VAL 1094CO 0.20 -0.12 1.34 -0.89 0.00 0.00 0.00 175.10 175.63 3gtm s THR 1095N -0.72 2.99 0.34 3.92 2.01 -1.26 -4.91 115.64 118.01 3gtm s THR 1095Ca -0.04 0.85 0.03 0.00 0.31 0.00 0.00 61.69 62.84 3gtm s THR 1095Cb -0.06 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3gtm s THR 1095CO 0.00 0.14 0.11 -0.94 -0.69 0.00 0.00 174.62 173.24 3gtm s SER 1096N 0.20 2.17 0.68 3.53 1.04 -1.26 -4.87 113.70 115.18 3gtm s SER 1096Ca 0.56 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.48 3gtm s SER 1096Cb -0.38 0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3gtm s SER 1096CO 0.42 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3gtm n GLY 1097N -0.71 2.42 0.31 7.32 0.00 -1.26 -3.62 105.19 109.65 3gtm n GLY 1097Ca -0.03 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 3gtm n GLY 1097CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gtm h VAL 1098N 0.00 0.46 -0.30 1.61 2.07 -1.89 -2.77 116.25 115.44 3gtm h VAL 1098Ca 0.00 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.53 3gtm h VAL 1098Cb 0.00 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3gtm h VAL 1098CO 0.00 0.01 0.22 1.55 0.02 0.00 0.00 177.57 179.38 3gtm h PRO 1099N -0.77 0.00 -0.61 1.57 0.13 -1.93 0.33 132.00 130.72 3gtm h PRO 1099Ca -0.07 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.97 3gtm h PRO 1099Cb 0.58 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 3gtm h PRO 1099CO 0.12 0.00 0.04 -0.09 -0.23 0.00 0.00 178.00 177.85 3gtm h ARG 1100N 0.00 1.04 -0.13 0.86 9.65 -1.56 -2.14 114.38 122.10 3gtm h ARG 1100Ca 0.14 -0.30 -0.08 0.00 -1.10 0.00 0.00 59.98 58.64 3gtm h ARG 1100Cb 0.59 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3gtm h ARG 1100CO -0.00 0.99 -0.22 1.25 2.80 0.00 0.00 179.97 184.79 3gtm h LEU 1101N 0.96 0.42 -1.96 3.80 5.85 -0.28 -2.85 115.31 121.25 3gtm h LEU 1101Ca 0.18 -0.54 0.23 0.00 0.84 0.00 0.00 57.88 58.60 3gtm h LEU 1101Cb 0.49 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3gtm h LEU 1101CO 0.02 0.87 0.63 0.50 -0.34 0.00 0.00 178.44 180.13 3gtm h LYS 1102N -0.03 0.00 0.35 1.25 3.64 -0.65 0.56 116.57 121.69 3gtm h LYS 1102Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3gtm h LYS 1102Cb 0.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3gtm h LYS 1102CO 0.05 0.00 -0.17 1.49 -2.27 0.00 0.00 179.45 178.55 3gtm h GLU 1103N 0.00 -0.45 -0.50 1.90 4.81 -1.18 -3.24 114.58 115.92 3gtm h GLU 1103Ca 0.38 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3gtm h GLU 1103Cb 1.65 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 31.11 3gtm h GLU 1103CO -0.00 -0.14 0.32 0.82 -0.73 0.00 0.00 179.01 179.27 3gtm h ILE 1104N -0.95 1.14 0.00 2.32 2.04 -0.75 -1.76 117.51 119.56 3gtm h ILE 1104Ca -0.05 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3gtm h ILE 1104Cb 0.52 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3gtm h ILE 1104CO 0.08 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.55 3gtm n LEU 1105N -4.72 0.00 -0.28 1.44 4.77 -0.25 -2.23 117.00 115.72 3gtm n LEU 1105Ca 0.02 0.24 0.06 0.00 -0.03 0.00 0.00 56.01 56.31 3gtm n LEU 1105Cb 0.04 -0.24 0.13 0.00 -2.33 0.00 0.00 43.42 41.01 3gtm n LEU 1105CO 0.35 -0.13 0.59 0.59 -1.33 0.00 0.00 177.39 177.46 3gtm n ASN 1106N -1.24 2.62 -4.03 -1.43 4.13 -0.68 -2.17 115.26 112.46 3gtm n ASN 1106Ca 0.07 -2.63 -0.36 0.00 1.68 0.00 0.00 54.58 53.34 3gtm n ASN 1106Cb 0.10 -0.31 -0.01 0.00 -1.54 0.00 0.00 39.78 38.03 3gtm n ASN 1106CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3gtm n VAL 1107N -0.75 -1.83 -2.32 2.41 0.31 -0.95 -4.75 118.33 110.45 3gtm n VAL 1107Ca 0.12 -0.47 -0.42 0.00 -0.01 0.00 0.00 64.34 63.56 3gtm n VAL 1107Cb 0.55 -1.58 -0.03 0.00 -0.91 0.00 0.00 33.84 31.87 3gtm n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtm s ALA 1108N -3.87 3.56 -0.00 3.52 0.00 -1.10 -4.96 121.76 118.90 3gtm s ALA 1108Ca 0.31 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 3gtm s ALA 1108Cb -0.17 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 3gtm s ALA 1108CO 0.82 -0.89 0.66 -0.22 0.00 0.00 0.00 175.76 176.13 3gtm h LYS 1109N 7.77 -0.15 -5.99 0.00 1.63 -1.93 -3.43 116.57 114.48 3gtm h LYS 1109Ca -0.36 0.01 -0.58 0.00 -0.85 0.00 0.00 60.65 58.87 3gtm h LYS 1109Cb 1.17 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.76 3gtm h LYS 1109CO 0.90 -0.10 0.53 0.54 -3.45 0.00 0.00 179.45 177.87 3gtm s ASN 1110N -2.81 7.00 0.29 4.20 4.22 -1.26 -5.04 114.94 121.55 3gtm s ASN 1110Ca -0.02 1.24 0.11 0.00 -2.14 0.00 0.00 52.86 52.05 3gtm s ASN 1110Cb 0.00 -2.48 -0.05 0.00 1.28 0.00 0.00 41.25 40.00 3gtm s ASN 1110CO 0.07 -0.49 -0.16 0.00 -2.04 0.00 0.00 177.10 174.47 3gtm s MET 1111N 2.52 1.76 -0.10 3.55 0.23 -1.26 -5.08 119.30 120.92 3gtm s MET 1111Ca 0.40 -1.77 -0.27 0.00 -1.03 0.00 0.00 55.69 53.02 3gtm s MET 1111Cb -0.16 -1.79 -0.25 0.00 -1.53 0.00 0.00 34.83 31.10 3gtm s MET 1111CO 0.11 0.30 0.92 0.87 -2.03 0.00 0.00 175.02 175.18 3gtm h LYS 1112N 2.19 0.05 -4.10 3.16 1.57 -2.00 -3.41 116.57 114.03 3gtm h LYS 1112Ca -0.41 -0.06 -0.65 0.00 -1.87 0.00 0.00 60.65 57.67 3gtm h LYS 1112Cb 1.26 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.18 3gtm h LYS 1112CO 0.62 0.90 -0.69 0.99 -0.57 0.00 0.00 179.45 180.70 3gtm s THR 1113N -2.77 2.31 -1.12 -0.16 2.01 -1.26 -5.01 115.64 109.64 3gtm s THR 1113Ca -0.18 -2.68 -0.03 0.00 0.31 0.00 0.00 61.69 59.11 3gtm s THR 1113Cb -0.01 -2.67 0.26 0.00 0.01 0.00 0.00 72.50 70.09 3gtm s THR 1113CO 0.70 -0.69 1.89 -0.81 -0.69 0.00 0.00 174.62 175.02 3gtm n PRO 1114N 3.82 4.93 -1.69 4.92 -0.05 -1.26 -4.84 135.00 140.83 3gtm n PRO 1114Ca 0.04 -4.29 -0.34 0.00 -0.05 0.00 0.00 63.50 58.86 3gtm n PRO 1114Cb 0.38 -2.55 0.06 0.00 -0.05 0.00 0.00 33.50 31.34 3gtm n PRO 1114CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 3gtm s SER 1115N -0.89 4.79 -0.21 3.54 0.15 -1.26 -2.60 113.70 117.23 3gtm s SER 1115Ca 0.41 2.21 -0.04 0.00 0.70 0.00 0.00 55.95 59.22 3gtm s SER 1115Cb 0.15 -2.57 0.10 0.00 -1.71 0.00 0.00 66.02 61.99 3gtm s SER 1115CO -0.06 -1.85 0.24 -1.48 1.20 0.00 0.00 173.24 171.29 3gtm s LEU 1116N -4.80 -0.19 -0.11 3.45 0.05 -1.25 -2.48 118.68 113.34 3gtm s LEU 1116Ca 0.72 -0.13 -0.27 0.00 0.05 0.00 0.00 54.13 54.49 3gtm s LEU 1116Cb -0.25 0.50 -0.02 0.00 -2.05 0.00 0.00 46.19 44.36 3gtm s LEU 1116CO 0.41 -0.32 0.91 -0.89 -0.55 0.00 0.00 176.35 175.91 3gtm s THR 1117N 2.36 4.86 -0.22 5.48 2.01 0.40 -3.98 115.64 126.55 3gtm s THR 1117Ca 0.08 1.83 -0.05 0.00 0.31 0.00 0.00 61.69 63.86 3gtm s THR 1117Cb -0.16 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 3gtm s THR 1117CO -0.12 0.06 -0.01 0.68 -0.69 0.00 0.00 174.62 174.53 3gtm s VAL 1118N 1.78 3.68 0.32 3.82 -7.23 -0.53 -1.62 120.40 120.62 3gtm s VAL 1118Ca 0.44 -0.39 -0.03 0.00 -1.81 0.00 0.00 61.98 60.18 3gtm s VAL 1118Cb -0.18 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 3gtm s VAL 1118CO 0.17 0.41 0.57 -0.31 -0.31 0.00 0.00 175.10 175.63 3gtm s TYR 1119N 1.39 3.49 0.50 2.82 1.51 -1.26 -2.05 117.35 123.75 3gtm s TYR 1119Ca 0.05 0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 56.66 3gtm s TYR 1119Cb -0.14 -2.06 -0.00 0.00 -0.11 0.00 0.00 41.96 39.64 3gtm s TYR 1119CO -0.01 0.12 0.76 -0.51 -1.11 0.00 0.00 175.55 174.80 3gtm s LEU 1120N -3.88 3.49 0.17 -1.29 1.02 -1.26 -1.20 118.68 115.74 3gtm s LEU 1120Ca 0.43 0.49 -0.31 0.00 0.02 0.00 0.00 54.13 54.75 3gtm s LEU 1120Cb -0.10 -3.35 -0.10 0.00 0.02 0.00 0.00 46.19 42.66 3gtm s LEU 1120CO 0.33 -0.83 1.52 -0.70 0.02 0.00 0.00 176.35 176.70 3gtm s GLU 1121N -4.73 4.24 0.08 1.70 2.12 -0.16 -3.44 118.70 118.51 3gtm s GLU 1121Ca 0.50 2.31 -0.07 0.00 0.36 0.00 0.00 54.97 58.07 3gtm s GLU 1121Cb -0.10 -3.16 0.08 0.00 0.26 0.00 0.00 34.13 31.20 3gtm s GLU 1121CO 0.41 -0.56 0.57 -2.30 -0.54 0.00 0.00 175.26 172.84 3gtm n PRO 1122N 3.77 -0.09 0.10 4.30 -0.02 -1.26 -1.26 135.00 140.54 3gtm n PRO 1122Ca 0.13 0.57 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 3gtm n PRO 1122Cb 0.39 -0.84 -0.08 0.00 -0.02 0.00 0.00 33.50 32.96 3gtm n PRO 1122CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3gtm h GLY 1123N 0.00 -0.31 -3.50 -1.23 0.00 -1.98 -3.34 103.07 92.71 3gtm h GLY 1123Ca 0.12 0.11 -0.23 0.00 0.00 0.00 0.00 47.33 47.34 3gtm h GLY 1123CO -0.36 -0.11 0.21 1.42 0.00 0.00 0.00 176.54 177.69 3gtm n HIS 1124N -5.01 0.92 0.02 5.60 8.25 -0.39 -4.34 115.22 120.27 3gtm n HIS 1124Ca -0.08 -1.62 0.07 0.00 -0.26 0.00 0.00 57.72 55.82 3gtm n HIS 1124Cb 0.26 -0.93 -0.11 0.00 1.12 0.00 0.00 29.99 30.34 3gtm n HIS 1124CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtm n ALA 1125N 0.97 2.42 -0.09 -1.41 0.00 -1.22 -4.19 120.51 116.98 3gtm n ALA 1125Ca 0.24 -0.54 0.09 0.00 0.00 0.00 0.00 53.44 53.23 3gtm n ALA 1125Cb 0.58 -0.82 0.20 0.00 0.00 0.00 0.00 19.45 19.42 3gtm n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtm n ALA 1126N -2.32 2.31 -2.59 0.00 0.00 -1.26 0.09 120.51 116.74 3gtm n ALA 1126Ca -0.07 -1.11 -0.42 0.00 0.00 0.00 0.00 53.44 51.84 3gtm n ALA 1126Cb 0.68 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 3gtm n ALA 1126CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gtm s ASP 1127N -1.08 6.49 0.05 0.00 2.15 -1.26 -4.93 116.67 118.09 3gtm s ASP 1127Ca 0.33 0.32 -0.17 0.00 0.43 0.00 0.00 52.55 53.45 3gtm s ASP 1127Cb 0.18 -2.34 -0.08 0.00 -0.30 0.00 0.00 42.92 40.38 3gtm s ASP 1127CO 0.24 -0.57 1.27 -0.61 -0.17 0.00 0.00 175.17 175.32 3gtm h GLN 1128N 8.34 -0.41 -0.95 4.34 5.75 -1.94 -2.37 115.11 127.87 3gtm h GLN 1128Ca -0.26 0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.30 3gtm h GLN 1128Cb 1.11 0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.70 3gtm h GLN 1128CO 0.84 -0.27 0.62 1.49 -2.65 0.00 0.00 178.83 178.85 3gtm h GLU 1129N -0.42 1.16 -1.00 1.69 4.81 -1.99 0.72 114.58 119.55 3gtm h GLU 1129Ca -0.02 -0.07 0.23 0.00 -0.13 0.00 0.00 59.36 59.38 3gtm h GLU 1129Cb 0.39 -0.26 -0.09 0.00 0.63 0.00 0.00 28.75 29.42 3gtm h GLU 1129CO -0.08 0.77 0.64 0.37 -0.73 0.00 0.00 179.01 179.97 3gtm h GLN 1130N 1.20 0.47 -0.30 1.92 5.75 -1.90 0.26 115.11 122.51 3gtm h GLN 1130Ca 0.38 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.74 3gtm h GLN 1130Cb 0.00 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 3gtm h GLN 1130CO -0.12 0.31 -0.26 0.00 -2.65 0.00 0.00 178.83 176.11 3gtm h ALA 1131N 1.63 0.99 -0.05 3.38 0.00 -0.31 -2.60 119.26 122.30 3gtm h ALA 1131Ca 0.56 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gtm h ALA 1131Cb 1.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3gtm h ALA 1131CO -0.29 0.60 0.00 0.36 0.00 0.00 0.00 179.25 179.91 3gtm n LYS 1132N -4.10 1.45 -0.00 0.00 2.85 0.01 -1.94 118.16 116.43 3gtm n LYS 1132Ca -0.00 -0.66 -0.20 0.00 -1.05 0.00 0.00 58.31 56.39 3gtm n LYS 1132Cb 0.43 -1.44 -0.14 0.00 -0.65 0.00 0.00 35.03 33.23 3gtm n LYS 1132CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3gtm n LEU 1133N -0.17 2.46 -0.09 -5.58 4.77 -0.78 -3.42 117.00 114.19 3gtm n LEU 1133Ca 0.19 0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 56.24 3gtm n LEU 1133Cb 0.26 -0.98 -0.04 0.00 -2.33 0.00 0.00 43.42 40.33 3gtm n LEU 1133CO 0.15 0.81 0.46 0.40 -1.33 0.00 0.00 177.39 177.88 3gtm h ILE 1134N 0.06 1.27 -0.05 -0.08 2.04 -1.50 -3.24 117.51 116.01 3gtm h ILE 1134Ca -0.41 -1.69 0.02 0.00 1.00 0.00 0.00 64.86 63.78 3gtm h ILE 1134Cb 2.03 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 39.64 3gtm h ILE 1134CO 0.08 0.55 -0.40 -0.09 0.00 0.00 0.00 178.15 178.30 3gtm h ARG 1135N 0.69 -0.44 0.00 2.37 2.43 -1.55 -0.76 114.38 117.11 3gtm h ARG 1135Ca 0.02 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3gtm h ARG 1135Cb 1.12 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3gtm h ARG 1135CO 0.12 -0.29 0.00 -1.13 -1.51 0.00 0.00 179.97 177.15 3gtm n SER 1136N -4.66 0.00 -0.04 -3.80 3.41 -1.22 -1.19 113.62 106.12 3gtm n SER 1136Ca -0.05 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.57 3gtm n SER 1136Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3gtm n SER 1136CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtm n ALA 1137N -0.66 2.43 -0.04 7.33 0.00 -0.32 -4.62 120.51 124.64 3gtm n ALA 1137Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 53.44 52.96 3gtm n ALA 1137Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 3gtm n ALA 1137CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gtm n ILE 1138N -0.13 0.42 -1.70 0.00 5.41 -0.33 -4.37 119.36 118.65 3gtm n ILE 1138Ca 0.01 -0.14 -0.43 0.00 1.00 0.00 0.00 62.75 63.18 3gtm n ILE 1138Cb 0.03 -1.02 -0.03 0.00 -0.71 0.00 0.00 39.64 37.90 3gtm n ILE 1138CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3gtm n GLU 1139N -2.91 2.59 -1.95 0.38 2.13 -0.95 -1.43 120.64 118.51 3gtm n GLU 1139Ca -0.14 0.94 -0.25 0.00 0.66 0.00 0.00 57.16 58.37 3gtm n GLU 1139Cb 0.63 -2.78 -0.05 0.00 0.27 0.00 0.00 31.44 29.51 3gtm n GLU 1139CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3gtm s HIS 1140N 1.62 1.66 -0.41 4.31 5.65 0.12 -3.83 115.29 124.41 3gtm s HIS 1140Ca 0.79 0.91 -0.18 0.00 0.25 0.00 0.00 55.06 56.82 3gtm s HIS 1140Cb -0.55 -3.93 0.02 0.00 -1.18 0.00 0.00 32.58 26.94 3gtm s HIS 1140CO 0.36 -1.77 0.49 0.99 -0.65 0.00 0.00 174.74 174.16 3gtm s THR 1141N 10.92 5.02 0.34 0.89 2.01 -1.20 -4.85 115.64 128.77 3gtm s THR 1141Ca 0.74 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.63 3gtm s THR 1141Cb -0.08 -4.06 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 3gtm s THR 1141CO 0.03 -0.42 0.50 0.42 -0.69 0.00 0.00 174.62 174.46 3gtm s THR 1142N 2.32 4.56 0.60 -0.82 -4.23 -1.26 -1.54 115.64 115.26 3gtm s THR 1142Ca 0.15 -0.78 0.30 0.00 -1.18 0.00 0.00 61.69 60.19 3gtm s THR 1142Cb -0.16 -3.63 0.36 0.00 1.34 0.00 0.00 72.50 70.41 3gtm s THR 1142CO 0.15 -0.32 2.21 0.25 -0.54 0.00 0.00 174.62 176.36 3gtm h LEU 1143N 0.82 0.00 -1.17 4.79 5.85 -1.79 -0.39 115.31 123.43 3gtm h LEU 1143Ca -0.48 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 3gtm h LEU 1143Cb 1.24 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 3gtm h LEU 1143CO 0.58 0.00 -0.07 0.50 -0.34 0.00 0.00 178.44 179.11 3gtm h LYS 1144N 0.00 0.00 0.03 1.25 3.64 -1.81 -2.79 116.57 116.89 3gtm h LYS 1144Ca 0.03 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.17 3gtm h LYS 1144Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3gtm h LYS 1144CO -0.00 0.07 -1.01 0.66 -2.27 0.00 0.00 179.45 176.90 3gtm h SER 1145N 0.00 0.49 0.23 4.20 4.64 -1.44 -3.33 113.55 118.34 3gtm h SER 1145Ca -0.00 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3gtm h SER 1145Cb 0.65 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3gtm h SER 1145CO 0.01 1.24 -1.66 1.33 -0.87 0.00 0.00 176.83 176.88 3gtm n VAL 1146N -3.69 0.14 -1.97 0.95 0.24 -1.21 -4.96 118.33 107.82 3gtm n VAL 1146Ca -0.07 -0.45 -0.40 0.00 -2.04 0.00 0.00 64.34 61.37 3gtm n VAL 1146Cb 0.88 0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.26 3gtm n VAL 1146CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3gtm s THR 1147N -3.43 2.42 -0.04 3.34 2.01 -1.06 -1.61 115.64 117.27 3gtm s THR 1147Ca -0.04 0.40 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 3gtm s THR 1147Cb 0.13 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 3gtm s THR 1147CO 0.87 0.08 -0.09 -0.38 -0.69 0.00 0.00 174.62 174.42 3gtm n ILE 1148N 0.36 0.38 -4.48 1.82 5.41 0.21 -4.84 119.36 118.22 3gtm n ILE 1148Ca 0.02 0.40 -0.21 0.00 1.00 0.00 0.00 62.75 63.96 3gtm n ILE 1148Cb 0.42 -1.71 -0.15 0.00 -0.71 0.00 0.00 39.64 37.49 3gtm n ILE 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtm s ALA 1149N -2.96 0.97 -0.35 -1.39 0.00 -1.23 -5.00 121.76 111.80 3gtm s ALA 1149Ca -0.07 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 3gtm s ALA 1149Cb 0.01 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.86 3gtm s ALA 1149CO 0.11 0.19 0.14 -1.54 0.00 0.00 0.00 175.76 174.65 3gtm s SER 1150N 0.01 5.40 0.23 0.00 1.04 -1.26 -1.91 113.70 117.21 3gtm s SER 1150Ca -0.00 -1.18 0.08 0.00 0.48 0.00 0.00 55.95 55.32 3gtm s SER 1150Cb -0.07 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.11 3gtm s SER 1150CO 0.00 -0.36 0.09 -1.61 0.98 0.00 0.00 173.24 172.34 3gtm s GLU 1151N 1.42 2.63 -0.13 4.02 2.02 0.58 -4.97 118.70 124.27 3gtm s GLU 1151Ca -0.01 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.82 3gtm s GLU 1151Cb -0.20 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 31.65 3gtm s GLU 1151CO 0.03 0.41 -0.11 0.42 0.02 0.00 0.00 175.26 176.03 3gtm s ILE 1152N -2.08 1.28 0.24 -1.63 1.01 -1.26 -0.56 121.20 118.20 3gtm s ILE 1152Ca 0.31 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.59 3gtm s ILE 1152Cb -0.08 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3gtm s ILE 1152CO 0.22 0.41 0.03 -0.31 0.00 0.00 0.00 174.94 175.29 3gtm s TYR 1153N 1.55 2.80 -0.99 3.97 1.51 -0.11 -4.98 117.35 121.09 3gtm s TYR 1153Ca 0.04 -0.18 -0.09 0.00 -1.01 0.00 0.00 57.07 55.82 3gtm s TYR 1153Cb -0.13 -1.27 0.25 0.00 -0.11 0.00 0.00 41.96 40.70 3gtm s TYR 1153CO -0.09 0.58 0.95 -0.47 -1.11 0.00 0.00 175.55 175.41 3gtm s TYR 1154N -2.15 4.06 -0.40 2.71 5.04 -1.26 -1.50 117.35 123.84 3gtm s TYR 1154Ca 0.31 -2.53 -0.11 0.00 -2.44 0.00 0.00 57.07 52.29 3gtm s TYR 1154Cb -0.07 -3.74 0.05 0.00 0.35 0.00 0.00 41.96 38.54 3gtm s TYR 1154CO 0.20 -0.93 0.24 0.34 -1.34 0.00 0.00 175.55 174.06 3gtm s ASP 1155N 1.38 5.76 -0.02 4.32 -1.08 -0.90 -4.97 116.67 121.15 3gtm s ASP 1155Ca 0.26 -1.19 -0.11 0.00 -0.52 0.00 0.00 52.55 50.99 3gtm s ASP 1155Cb -0.10 -2.03 -0.32 0.00 -1.46 0.00 0.00 42.92 39.01 3gtm s ASP 1155CO -0.09 -0.46 0.80 -0.65 0.52 0.00 0.00 175.17 175.29 3gtm h PRO 1156N 8.47 0.42 -4.10 4.34 0.11 -1.93 -3.41 132.00 135.90 3gtm h PRO 1156Ca -0.25 -0.71 -0.75 0.00 0.11 0.00 0.00 66.00 64.39 3gtm h PRO 1156Cb 1.10 0.27 -0.26 0.00 0.11 0.00 0.00 31.00 32.22 3gtm h PRO 1156CO 0.72 1.33 -0.22 0.34 -0.21 0.00 0.00 178.00 179.95 3gtm s ASP 1157N -7.34 6.13 0.00 -2.05 2.15 -1.26 -4.78 116.67 109.52 3gtm s ASP 1157Ca -0.13 -1.94 0.00 0.00 0.43 0.00 0.00 52.55 50.91 3gtm s ASP 1157Cb 0.05 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 3gtm s ASP 1157CO 0.88 -0.78 1.14 -0.81 -0.17 0.00 0.00 175.17 175.43 3gtm n PRO 1158N 5.00 0.59 0.00 4.34 -0.04 -1.26 -2.28 135.00 141.35 3gtm n PRO 1158Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 3gtm n PRO 1158Cb 0.41 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 3gtm n PRO 1158CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gtm n ARG 1159N 1.65 3.19 -3.67 0.54 1.74 -1.26 -5.03 116.66 113.82 3gtm n ARG 1159Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 3gtm n ARG 1159Cb 0.29 -0.41 -0.10 0.00 -1.02 0.00 0.00 32.46 31.22 3gtm n ARG 1159CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gtm s SER 1160N -0.61 -0.27 0.37 0.55 1.04 -0.96 -4.94 113.70 108.87 3gtm s SER 1160Ca 0.00 0.91 -0.26 0.00 0.48 0.00 0.00 55.95 57.08 3gtm s SER 1160Cb 0.00 1.09 -0.09 0.00 0.10 0.00 0.00 66.02 67.12 3gtm s SER 1160CO 0.00 -0.22 1.15 -0.89 0.98 0.00 0.00 173.24 174.26 3gtm s THR 1161N 2.20 3.27 0.26 2.02 2.01 -1.26 -4.71 115.64 119.43 3gtm s THR 1161Ca -0.04 1.10 -0.02 0.00 0.31 0.00 0.00 61.69 63.04 3gtm s THR 1161Cb -0.11 -3.63 0.13 0.00 0.01 0.00 0.00 72.50 68.89 3gtm s THR 1161CO -0.12 0.13 1.77 0.58 -0.69 0.00 0.00 174.62 176.29 3gtm h VAL 1162N 2.49 1.24 -3.15 3.82 2.07 -1.95 -3.42 116.25 117.35 3gtm h VAL 1162Ca -0.48 -0.94 -0.58 0.00 0.82 0.00 0.00 66.70 65.52 3gtm h VAL 1162Cb 1.23 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3gtm h VAL 1162CO 0.63 0.34 0.81 -0.63 0.02 0.00 0.00 177.57 178.75 3gtm s ILE 1163N -5.09 4.63 -1.70 4.57 1.01 -1.26 -4.92 121.20 118.44 3gtm s ILE 1163Ca -0.10 1.95 0.24 0.00 0.00 0.00 0.00 60.65 62.74 3gtm s ILE 1163Cb 0.15 -4.34 0.54 0.00 0.01 0.00 0.00 42.46 38.82 3gtm s ILE 1163CO 0.81 -0.27 1.79 -0.81 0.00 0.00 0.00 174.94 176.47 3gtm n PRO 1164N 6.48 0.54 -0.02 2.79 -0.04 -1.26 -1.92 135.00 141.56 3gtm n PRO 1164Ca 0.12 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 3gtm n PRO 1164Cb 0.46 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.86 3gtm n PRO 1164CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3gtm n GLU 1165N -1.15 1.78 -0.00 0.54 1.02 -1.26 -4.01 120.64 117.56 3gtm n GLU 1165Ca 0.15 -1.15 0.02 0.00 -0.02 0.00 0.00 57.16 56.16 3gtm n GLU 1165Cb 0.14 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 3gtm n GLU 1165CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gtm n ASP 1166N 0.38 3.65 -0.32 1.62 9.92 -0.81 -4.77 116.55 126.23 3gtm n ASP 1166Ca 0.18 -0.06 0.30 0.00 -0.53 0.00 0.00 54.79 54.68 3gtm n ASP 1166Cb 0.39 1.18 0.56 0.00 -0.64 0.00 0.00 41.12 42.61 3gtm n ASP 1166CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3gtm h GLU 1167N 0.00 0.01 0.00 -1.24 5.08 -1.69 0.91 114.58 117.66 3gtm h GLU 1167Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gtm h GLU 1167Cb 0.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3gtm h GLU 1167CO 0.00 0.01 0.00 0.93 -1.00 0.00 0.00 179.01 178.95 3gtm h GLU 1168N 0.01 0.00 0.04 2.33 5.08 -1.87 -3.22 114.58 116.95 3gtm h GLU 1168Ca 0.83 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 59.13 3gtm h GLU 1168Cb 2.15 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.41 3gtm h GLU 1168CO -0.78 0.00 -0.24 0.82 -1.00 0.00 0.00 179.01 177.81 3gtm h ILE 1169N 0.00 1.70 -0.37 3.13 2.04 0.53 -3.36 117.51 121.18 3gtm h ILE 1169Ca 0.00 -2.37 -0.05 0.00 1.00 0.00 0.00 64.86 63.44 3gtm h ILE 1169Cb 0.33 3.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.69 3gtm h ILE 1169CO 0.00 0.63 0.02 0.40 0.00 0.00 0.00 178.15 179.20 3gtm h ILE 1170N -0.79 1.20 -1.02 -0.67 2.04 -1.62 -2.63 117.51 114.01 3gtm h ILE 1170Ca -0.04 -0.79 0.26 0.00 1.00 0.00 0.00 64.86 65.29 3gtm h ILE 1170Cb 1.17 0.91 -0.11 0.00 -0.74 0.00 0.00 36.82 38.05 3gtm h ILE 1170CO 0.04 0.27 0.63 1.56 0.00 0.00 0.00 178.15 180.66 3gtm h GLN 1171N 0.54 0.49 0.13 2.37 4.20 -1.70 -2.25 115.11 118.89 3gtm h GLN 1171Ca 0.12 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.62 3gtm h GLN 1171Cb 0.32 -0.11 0.02 0.00 0.30 0.00 0.00 27.48 28.02 3gtm h GLN 1171CO 0.01 0.32 -0.79 -0.07 -0.67 0.00 0.00 178.83 177.64 3gtm h LEU 1172N 0.50 0.47 -1.47 1.46 3.38 -1.65 -1.73 115.31 116.27 3gtm h LEU 1172Ca 0.63 -0.94 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3gtm h LEU 1172Cb 1.36 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3gtm h LEU 1172CO -0.41 1.37 0.00 1.41 0.09 0.00 0.00 178.44 180.91 3gtm n HIS 1173N -4.14 0.38 0.00 1.13 8.25 -0.88 -2.78 115.22 117.18 3gtm n HIS 1173Ca -0.14 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 3gtm n HIS 1173Cb 0.81 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.74 3gtm n HIS 1173CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gtm n PHE 1174N 0.11 0.00 0.19 4.41 3.01 -0.96 -4.82 117.46 119.40 3gtm n PHE 1174Ca 0.05 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.57 3gtm n PHE 1174Cb 0.43 0.00 0.56 0.00 -0.01 0.00 0.00 39.48 40.45 3gtm n PHE 1174CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3gtm h SER 1175N 0.00 0.12 -0.00 4.37 4.64 -1.13 -3.51 113.55 118.04 3gtm h SER 1175Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gtm h SER 1175Cb 0.36 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3gtm h SER 1175CO 0.00 0.13 -0.33 0.18 -0.87 0.00 0.00 176.83 175.93 3gtm n LEU 1176N -4.48 0.63 0.00 5.97 4.77 -1.20 -5.10 117.00 117.59 3gtm n LEU 1176Ca -0.01 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3gtm n LEU 1176Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3gtm n LEU 1176CO 0.35 0.14 0.00 0.00 -1.33 0.00 0.00 177.39 176.55 3gtm n GLN 1187N -0.92 0.00 0.00 3.23 0.00 -1.26 -5.13 117.38 113.31 3gtm n GLN 1187Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.02 3gtm n GLN 1187Cb 0.15 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.08 3gtm n GLN 1187CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3gtm n GLN 1188N -2.05 3.89 -4.36 2.61 6.02 -1.26 -4.96 117.38 117.26 3gtm n GLN 1188Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 3gtm n GLN 1188Cb 0.00 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.15 3gtm n GLN 1188CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3gtm s SER 1189N 0.28 2.90 0.21 1.08 0.15 -0.54 -4.94 113.70 112.84 3gtm s SER 1189Ca 0.00 -0.88 0.26 0.00 0.70 0.00 0.00 55.95 56.02 3gtm s SER 1189Cb 0.00 -0.19 0.69 0.00 -1.71 0.00 0.00 66.02 64.81 3gtm s SER 1189CO 0.00 -0.00 1.68 1.55 1.20 0.00 0.00 173.24 177.66 3gtm h PRO 1190N 3.14 0.00 -6.19 5.44 0.13 -1.87 -3.41 132.00 129.24 3gtm h PRO 1190Ca -0.43 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.12 3gtm h PRO 1190Cb 1.21 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 3gtm h PRO 1190CO 0.51 0.00 1.36 -1.58 -0.23 0.00 0.00 178.00 178.06 3gtm s TRP 1191N -3.12 2.45 0.41 1.56 0.52 -1.26 -2.11 118.94 117.38 3gtm s TRP 1191Ca 0.10 -0.58 -0.22 0.00 0.02 0.00 0.00 56.10 55.41 3gtm s TRP 1191Cb 0.12 -4.68 -0.10 0.00 -1.15 0.00 0.00 33.47 27.66 3gtm s TRP 1191CO 0.63 -1.98 0.98 -1.17 0.02 0.00 0.00 176.95 175.42 3gtm s LEU 1192N 5.24 4.04 -0.31 2.99 2.96 -0.56 -4.36 118.68 128.68 3gtm s LEU 1192Ca 0.43 1.81 0.02 0.00 -0.22 0.00 0.00 54.13 56.17 3gtm s LEU 1192Cb -0.03 -4.38 0.09 0.00 0.50 0.00 0.00 46.19 42.38 3gtm s LEU 1192CO -0.02 -0.39 0.04 -0.22 -1.32 0.00 0.00 176.35 174.45 3gtm s LEU 1193N -2.91 3.49 0.05 -0.68 2.96 -0.65 -0.94 118.68 120.00 3gtm s LEU 1193Ca 0.60 -1.79 -0.16 0.00 -0.22 0.00 0.00 54.13 52.55 3gtm s LEU 1193Cb -0.14 -1.29 -0.06 0.00 0.50 0.00 0.00 46.19 45.20 3gtm s LEU 1193CO 0.19 -0.36 0.49 -0.60 -1.32 0.00 0.00 176.35 174.74 3gtm s ARG 1194N 1.24 4.03 -0.06 1.98 3.52 0.28 -2.53 118.95 127.41 3gtm s ARG 1194Ca 0.07 0.55 -0.00 0.00 -0.13 0.00 0.00 55.73 56.22 3gtm s ARG 1194Cb -0.18 -3.19 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 3gtm s ARG 1194CO -0.14 0.65 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.46 3gtm s LEU 1195N -1.20 1.03 -0.27 -0.88 1.43 -0.88 -0.31 118.68 117.60 3gtm s LEU 1195Ca 0.27 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 53.15 3gtm s LEU 1195Cb -0.18 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 3gtm s LEU 1195CO 0.16 -0.11 0.14 -0.70 0.23 0.00 0.00 176.35 176.07 3gtm s GLU 1196N 1.40 3.80 0.08 1.70 2.12 -0.80 -1.08 118.70 125.92 3gtm s GLU 1196Ca -0.03 -0.40 -0.03 0.00 0.36 0.00 0.00 54.97 54.87 3gtm s GLU 1196Cb -0.13 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 3gtm s GLU 1196CO -0.03 -0.19 0.28 -0.51 -0.54 0.00 0.00 175.26 174.27 3gtm s LEU 1197N 1.69 4.33 -0.11 2.70 1.43 -1.22 0.65 118.68 128.16 3gtm s LEU 1197Ca 0.07 0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 53.41 3gtm s LEU 1197Cb -0.16 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 3gtm s LEU 1197CO 0.08 0.14 0.51 -0.62 0.23 0.00 0.00 176.35 176.69 3gtm s ASP 1198N -2.35 6.74 0.23 2.29 2.15 -0.63 -4.37 116.67 120.73 3gtm s ASP 1198Ca 0.36 0.88 -0.07 0.00 0.43 0.00 0.00 52.55 54.14 3gtm s ASP 1198Cb -0.13 -2.30 0.21 0.00 -0.30 0.00 0.00 42.92 40.40 3gtm s ASP 1198CO 0.25 -0.01 1.88 -0.09 -0.17 0.00 0.00 175.17 177.03 3gtm h ARG 1199N 6.66 1.23 0.45 4.34 2.43 -1.97 -2.39 114.38 125.13 3gtm h ARG 1199Ca -0.41 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 3gtm h ARG 1199Cb 1.18 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 3gtm h ARG 1199CO 0.75 0.86 -0.40 0.00 -1.51 0.00 0.00 179.97 179.67 3gtm h ALA 1200N 1.30 -0.91 0.00 2.80 0.00 -1.98 -2.66 119.26 117.81 3gtm h ALA 1200Ca 0.32 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3gtm h ALA 1200Cb -0.05 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3gtm h ALA 1200CO -0.06 -1.04 -0.29 0.00 0.00 0.00 0.00 179.25 177.85 3gtm h ALA 1201N -0.51 1.38 0.00 0.00 0.00 -1.92 -2.92 119.26 115.30 3gtm h ALA 1201Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3gtm h ALA 1201Cb 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3gtm h ALA 1201CO -0.04 0.37 0.00 -1.33 0.00 0.00 0.00 179.25 178.25 3gtm n MET 1202N -3.99 0.70 0.00 0.00 2.00 -0.90 -2.89 117.12 112.03 3gtm n MET 1202Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.69 3gtm n MET 1202Cb 0.36 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.08 3gtm n MET 1202CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3gtm n ASN 1203N -1.04 0.42 0.03 7.83 3.02 -1.10 -2.80 115.26 121.62 3gtm n ASN 1203Ca 0.17 -0.73 -0.14 0.00 -0.03 0.00 0.00 54.58 53.86 3gtm n ASN 1203Cb 0.10 0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 3gtm n ASN 1203CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3gtm h ASP 1204N 0.00 0.68 -3.70 6.41 -0.00 -1.53 -3.38 116.42 114.90 3gtm h ASP 1204Ca 0.00 -0.47 -0.68 0.00 -0.00 0.00 0.00 57.03 55.88 3gtm h ASP 1204Cb 0.07 -0.20 -0.35 0.00 -0.00 0.00 0.00 39.33 38.84 3gtm h ASP 1204CO 0.00 1.25 -0.68 -0.54 -0.00 0.00 0.00 179.24 179.27 3gtm s LYS 1205N -3.57 2.09 -0.52 0.28 1.02 -1.23 -4.61 119.74 113.20 3gtm s LYS 1205Ca -0.08 -1.55 -0.27 0.00 0.02 0.00 0.00 55.97 54.10 3gtm s LYS 1205Cb 0.09 -3.24 -0.09 0.00 -0.52 0.00 0.00 37.83 34.07 3gtm s LYS 1205CO 0.87 -0.79 2.43 -0.25 -0.92 0.00 0.00 175.35 176.69 3gtm n ASP 1206N 4.51 2.14 -4.09 2.83 10.43 -1.26 -4.76 116.55 126.34 3gtm n ASP 1206Ca -0.07 -0.33 -0.08 0.00 2.57 0.00 0.00 54.79 56.88 3gtm n ASP 1206Cb 0.42 -1.49 -0.10 0.00 1.84 0.00 0.00 41.12 41.79 3gtm n ASP 1206CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3gtm s LEU 1207N 11.33 2.47 0.07 0.64 1.43 -1.12 -5.05 118.68 128.44 3gtm s LEU 1207Ca 1.03 -0.96 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 3gtm s LEU 1207Cb -0.35 0.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.99 3gtm s LEU 1207CO 0.31 -0.55 -0.10 -0.89 0.23 0.00 0.00 176.35 175.34 3gtm s THR 1208N -3.65 0.83 0.31 5.49 2.01 -1.26 -4.75 115.64 114.62 3gtm s THR 1208Ca 0.06 -1.30 0.05 0.00 0.31 0.00 0.00 61.69 60.81 3gtm s THR 1208Cb 0.06 -0.96 0.36 0.00 0.01 0.00 0.00 72.50 71.98 3gtm s THR 1208CO -0.08 -0.38 1.60 0.24 -0.69 0.00 0.00 174.62 175.31 3gtm h MET 1209N 4.19 0.08 -0.19 4.92 0.00 -1.87 0.36 114.93 122.42 3gtm h MET 1209Ca -0.38 -0.00 0.04 0.00 0.00 0.00 0.00 59.70 59.36 3gtm h MET 1209Cb 1.19 -0.02 -0.04 0.00 0.00 0.00 0.00 31.60 32.73 3gtm h MET 1209CO 0.44 0.05 -0.08 0.78 0.00 0.00 0.00 176.91 178.11 3gtm h GLY 1210N 0.08 0.10 1.04 8.32 0.00 -1.96 0.19 103.07 110.84 3gtm h GLY 1210Ca 0.62 0.10 0.02 0.00 0.00 0.00 0.00 47.33 48.07 3gtm h GLY 1210CO -0.79 -0.10 0.62 1.46 0.00 0.00 0.00 176.54 177.73 3gtm h GLN 1211N -0.04 1.20 -0.12 4.80 4.20 -0.72 0.26 115.11 124.67 3gtm h GLN 1211Ca 0.10 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3gtm h GLN 1211Cb 0.19 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3gtm h GLN 1211CO -0.22 0.79 -0.01 0.28 -0.67 0.00 0.00 178.83 179.00 3gtm h VAL 1212N 1.23 1.26 -0.40 -0.54 2.07 -0.97 -3.06 116.25 115.85 3gtm h VAL 1212Ca 0.35 -0.86 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 3gtm h VAL 1212Cb -0.09 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3gtm h VAL 1212CO -0.09 0.25 -0.26 1.23 0.02 0.00 0.00 177.57 178.72 3gtm h GLY 1213N -0.06 0.91 2.00 2.17 0.00 -0.47 -2.51 103.07 105.10 3gtm h GLY 1213Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.55 3gtm h GLY 1213CO 0.01 0.74 0.00 0.83 0.00 0.00 0.00 176.54 178.12 3gtm h GLU 1214N 0.72 0.00 0.21 4.80 4.39 -0.55 -2.30 114.58 121.84 3gtm h GLU 1214Ca 0.09 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.44 3gtm h GLU 1214Cb 0.80 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.47 3gtm h GLU 1214CO 0.07 0.00 -1.68 -0.09 -1.16 0.00 0.00 179.01 176.15 3gtm h ARG 1215N 0.00 0.44 -0.24 2.33 9.65 -1.34 -3.25 114.38 121.97 3gtm h ARG 1215Ca 0.00 -0.75 -0.17 0.00 -1.10 0.00 0.00 59.98 57.95 3gtm h ARG 1215Cb 0.23 0.28 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3gtm h ARG 1215CO 0.00 1.36 -0.55 0.82 2.80 0.00 0.00 179.97 184.40 3gtm h ILE 1216N 0.12 1.30 0.00 1.20 2.04 -1.38 -3.08 117.51 117.70 3gtm h ILE 1216Ca -0.32 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 63.78 3gtm h ILE 1216Cb 2.12 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 3gtm h ILE 1216CO 0.21 0.56 0.00 1.17 0.00 0.00 0.00 178.15 180.09 3gtm n LYS 1217N -3.98 0.11 -0.33 2.37 4.81 -0.88 -1.81 118.16 118.45 3gtm n LYS 1217Ca -0.04 0.40 0.07 0.00 -0.87 0.00 0.00 58.31 57.87 3gtm n LYS 1217Cb 0.62 -1.74 0.18 0.00 0.02 0.00 0.00 35.03 34.11 3gtm n LYS 1217CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3gtm n GLN 1218N -1.96 1.73 -0.11 1.64 10.64 -1.17 -3.09 117.38 125.06 3gtm n GLN 1218Ca 0.02 -2.85 -0.23 0.00 -1.83 0.00 0.00 57.00 52.12 3gtm n GLN 1218Cb 0.18 -1.63 -0.08 0.00 -0.86 0.00 0.00 30.24 27.85 3gtm n GLN 1218CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 3gtm n THR 1219N -1.16 1.33 1.17 -0.39 -1.04 -0.75 -4.43 114.28 109.01 3gtm n THR 1219Ca 0.20 -0.26 0.12 0.00 -2.04 0.00 0.00 64.05 62.07 3gtm n THR 1219Cb 0.74 -1.89 0.24 0.00 -1.82 0.00 0.00 70.33 67.61 3gtm n THR 1219CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3gtm n PHE 1220N -4.11 0.00 -3.72 -1.42 3.01 -1.23 -5.05 117.46 104.94 3gtm n PHE 1220Ca -0.42 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.04 3gtm n PHE 1220Cb 0.77 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 3gtm n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3gtm n LYS 1221N -0.11 0.00 -1.21 -1.08 5.02 -1.18 -3.81 118.16 115.80 3gtm n LYS 1221Ca 0.12 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.10 3gtm n LYS 1221Cb 0.42 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.36 3gtm n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gtm n ASN 1222N -1.71 7.73 -0.32 4.39 3.02 -1.26 -3.30 115.26 123.81 3gtm n ASN 1222Ca 0.00 -2.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 3gtm n ASN 1222Cb 0.00 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 37.66 3gtm n ASN 1222CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3gtm n ASP 1223N 3.29 0.00 -3.69 6.41 5.75 -1.25 -5.05 116.55 122.01 3gtm n ASP 1223Ca 0.68 -1.18 -0.26 0.00 -0.01 0.00 0.00 54.79 54.02 3gtm n ASP 1223Cb 0.42 -0.04 -0.17 0.00 -1.03 0.00 0.00 41.12 40.31 3gtm n ASP 1223CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3gtm s LEU 1224N 0.00 0.77 -0.54 -2.12 2.96 -1.21 -3.61 118.68 114.93 3gtm s LEU 1224Ca 0.00 -0.62 -0.27 0.00 -0.22 0.00 0.00 54.13 53.02 3gtm s LEU 1224Cb 0.00 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 3gtm s LEU 1224CO 0.00 -0.31 1.79 0.12 -1.32 0.00 0.00 176.35 176.64 3gtm s PHE 1225N 1.98 1.77 -0.08 5.38 5.36 0.64 -4.84 117.98 128.19 3gtm s PHE 1225Ca 0.01 0.72 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 3gtm s PHE 1225Cb -0.16 -4.13 -0.03 0.00 -0.34 0.00 0.00 43.02 38.36 3gtm s PHE 1225CO -0.08 -2.41 -0.07 0.08 -1.46 0.00 0.00 175.22 171.27 3gtm s VAL 1226N 8.21 3.64 0.14 3.12 1.01 -1.26 0.16 120.40 135.42 3gtm s VAL 1226Ca 0.69 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3gtm s VAL 1226Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3gtm s VAL 1226CO 0.24 0.59 0.03 -0.63 0.00 0.00 0.00 175.10 175.32 3gtm s ILE 1227N -0.65 0.36 0.02 2.22 1.01 0.34 -4.99 121.20 119.52 3gtm s ILE 1227Ca 0.10 -1.93 -0.25 0.00 0.00 0.00 0.00 60.65 58.57 3gtm s ILE 1227Cb -0.11 -2.03 0.06 0.00 0.01 0.00 0.00 42.46 40.38 3gtm s ILE 1227CO 0.02 -0.52 0.57 -1.66 0.00 0.00 0.00 174.94 173.35 3gtm s TRP 1228N -3.87 -0.50 0.00 3.97 -2.14 -1.26 -1.94 118.94 113.20 3gtm s TRP 1228Ca 0.23 0.66 0.00 0.00 2.66 0.00 0.00 56.10 59.65 3gtm s TRP 1228Cb 0.07 0.37 0.00 0.00 -3.10 0.00 0.00 33.47 30.81 3gtm s TRP 1228CO 0.02 -0.63 0.00 -1.13 -2.66 0.00 0.00 176.95 172.54 3gtm n SER 1229N 0.56 -0.14 -0.05 -2.66 3.41 -0.46 -5.02 113.62 109.26 3gtm n SER 1229Ca -0.19 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 3gtm n SER 1229Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3gtm n SER 1229CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gtm n GLU 1230N -0.48 3.58 -0.48 4.33 1.02 -1.26 -4.69 120.64 122.66 3gtm n GLU 1230Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3gtm n GLU 1230Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 31.69 3gtm n GLU 1230CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gtm n ASP 1231N -0.05 4.10 -0.19 1.62 8.00 -1.26 -4.48 116.55 124.29 3gtm n ASP 1231Ca 0.00 -2.73 0.02 0.00 0.71 0.00 0.00 54.79 52.79 3gtm n ASP 1231Cb 0.00 -0.51 0.03 0.00 -0.02 0.00 0.00 41.12 40.62 3gtm n ASP 1231CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3gtm n ASN 1232N 0.08 0.80 -4.82 -2.24 4.05 -1.26 -5.06 115.26 106.80 3gtm n ASN 1232Ca 0.21 -1.93 -0.31 0.00 0.45 0.00 0.00 54.58 53.00 3gtm n ASN 1232Cb 0.85 -0.16 -0.06 0.00 1.23 0.00 0.00 39.78 41.64 3gtm n ASN 1232CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3gtm s ASP 1233N -1.09 5.80 0.61 1.20 -0.00 -1.26 -4.99 116.67 116.94 3gtm s ASP 1233Ca 0.06 0.09 0.31 0.00 -0.00 0.00 0.00 52.55 53.01 3gtm s ASP 1233Cb 0.06 -1.64 1.71 0.00 -0.00 0.00 0.00 42.92 43.04 3gtm s ASP 1233CO 0.01 0.18 2.07 1.05 -0.00 0.00 0.00 175.17 178.48 3gtm h GLU 1234N 3.27 0.00 -3.26 8.23 4.11 -1.97 -3.39 114.58 121.57 3gtm h GLU 1234Ca -0.46 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.72 3gtm h GLU 1234Cb 1.16 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.09 3gtm h GLU 1234CO 0.69 0.00 -0.60 0.15 0.07 0.00 0.00 179.01 179.31 3gtm s LYS 1235N -4.50 0.08 0.25 1.06 1.02 -1.26 -5.08 119.74 111.31 3gtm s LYS 1235Ca -0.04 0.37 -0.26 0.00 0.02 0.00 0.00 55.97 56.06 3gtm s LYS 1235Cb 0.14 -0.19 -0.09 0.00 -0.52 0.00 0.00 37.83 37.17 3gtm s LYS 1235CO 0.49 -0.17 0.87 -0.51 -0.92 0.00 0.00 175.35 175.11 3gtm s LEU 1236N 1.19 4.47 -0.12 3.17 1.43 -1.26 -4.94 118.68 122.61 3gtm s LEU 1236Ca -0.09 1.75 -0.10 0.00 -1.03 0.00 0.00 54.13 54.66 3gtm s LEU 1236Cb -0.12 -3.68 0.04 0.00 0.03 0.00 0.00 46.19 42.46 3gtm s LEU 1236CO -0.06 0.07 0.31 -0.63 0.23 0.00 0.00 176.35 176.27 3gtm s ILE 1237N -1.39 -0.01 -0.29 -0.59 1.01 -1.26 -3.42 121.20 115.26 3gtm s ILE 1237Ca 0.43 0.03 0.01 0.00 0.00 0.00 0.00 60.65 61.13 3gtm s ILE 1237Cb -0.21 -0.45 0.06 0.00 0.01 0.00 0.00 42.46 41.87 3gtm s ILE 1237CO 0.26 0.01 -0.05 -0.63 0.00 0.00 0.00 174.94 174.54 3gtm s ILE 1238N 0.49 2.57 -0.25 2.92 1.01 -0.24 -1.35 121.20 126.34 3gtm s ILE 1238Ca -0.03 -1.57 -0.09 0.00 0.00 0.00 0.00 60.65 58.97 3gtm s ILE 1238Cb -0.04 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 3gtm s ILE 1238CO -0.03 -0.11 0.12 -0.13 0.00 0.00 0.00 174.94 174.79 3gtm s ARG 1239N 1.16 3.82 0.01 2.79 0.52 -0.82 -2.07 118.95 124.36 3gtm s ARG 1239Ca -0.06 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.79 3gtm s ARG 1239Cb -0.20 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.81 3gtm s ARG 1239CO -0.03 -0.12 -0.11 0.00 0.02 0.00 0.00 175.30 175.06 3gtm s ARG 1241N -0.62 1.73 0.51 0.00 0.52 0.12 -1.63 118.95 119.59 3gtm s ARG 1241Ca 0.02 -1.73 -0.02 0.00 -0.52 0.00 0.00 55.73 53.47 3gtm s ARG 1241Cb -0.06 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.61 3gtm s ARG 1241CO 0.00 0.33 0.77 0.08 0.02 0.00 0.00 175.30 176.51 3gtm s VAL 1242N -2.48 3.87 -0.36 3.52 1.01 -1.26 -0.26 120.40 124.45 3gtm s VAL 1242Ca 0.30 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3gtm s VAL 1242Cb -0.05 -3.48 0.14 0.00 0.00 0.00 0.00 36.38 33.00 3gtm s VAL 1242CO 0.15 -0.40 0.23 0.54 0.00 0.00 0.00 175.10 175.62 3gtm s VAL 1243N -2.74 0.12 -0.32 2.92 0.11 -1.24 -1.46 120.40 117.79 3gtm s VAL 1243Ca 0.51 -1.75 -0.00 0.00 -2.93 0.00 0.00 61.98 57.80 3gtm s VAL 1243Cb -0.10 -1.10 -0.00 0.00 -1.53 0.00 0.00 36.38 33.65 3gtm s VAL 1243CO 0.41 -0.99 0.26 0.00 -3.33 0.00 0.00 175.10 171.45 3gtm n ALA 1254N 3.95 -0.60 -2.41 1.54 0.00 -1.26 -4.94 120.51 116.78 3gtm n ALA 1254Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 3gtm n ALA 1254Cb 0.38 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3gtm n ALA 1254CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gtm n GLU 1255N -1.85 -1.07 -0.00 0.00 1.02 -1.26 -4.97 120.64 112.51 3gtm n GLU 1255Ca -0.07 1.27 0.10 0.00 -0.02 0.00 0.00 57.16 58.44 3gtm n GLU 1255Cb 0.54 -4.12 0.09 0.00 -0.02 0.00 0.00 31.44 27.93 3gtm n GLU 1255CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3gtm n GLU 1256N -1.06 1.84 0.00 3.49 -0.58 -1.26 -3.92 120.64 119.15 3gtm n GLU 1256Ca 0.03 -1.72 0.12 0.00 -0.42 0.00 0.00 57.16 55.17 3gtm n GLU 1256Cb 0.42 -1.39 0.26 0.00 -0.57 0.00 0.00 31.44 30.16 3gtm n GLU 1256CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3gtm n ASP 1257N 1.15 0.67 -0.01 1.62 -0.08 -1.26 -3.23 116.55 115.41 3gtm n ASP 1257Ca 0.12 -0.46 0.10 0.00 -1.51 0.00 0.00 54.79 53.04 3gtm n ASP 1257Cb 0.51 0.26 -0.15 0.00 2.34 0.00 0.00 41.12 44.08 3gtm n ASP 1257CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 3gtm n HIS 1258N -1.27 0.00 0.88 -0.67 -0.00 -1.25 -4.05 115.22 108.87 3gtm n HIS 1258Ca 0.07 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.37 3gtm n HIS 1258Cb 0.34 -0.41 0.13 0.00 -0.12 0.00 0.00 29.99 29.93 3gtm n HIS 1258CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 3gtm n MET 1259N -2.12 0.08 -0.54 1.57 0.00 -1.25 -3.68 117.12 111.17 3gtm n MET 1259Ca -0.03 0.01 -0.07 0.00 -0.00 0.00 0.00 57.70 57.60 3gtm n MET 1259Cb 0.50 -1.53 0.11 0.00 0.00 0.00 0.00 33.22 32.31 3gtm n MET 1259CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3gtm n LEU 1260N -1.64 4.37 0.00 -0.89 7.94 -1.20 -3.27 117.00 122.31 3gtm n LEU 1260Ca 0.04 -2.27 0.00 0.00 -1.11 0.00 0.00 56.01 52.67 3gtm n LEU 1260Cb 0.36 -0.64 0.00 0.00 0.53 0.00 0.00 43.42 43.67 3gtm n LEU 1260CO 0.38 0.67 0.00 1.17 -1.11 0.00 0.00 177.39 178.50 3gtm n LYS 1261N -0.13 1.67 0.00 1.96 4.81 -1.25 -4.26 118.16 120.95 3gtm n LYS 1261Ca 0.24 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.57 3gtm n LYS 1261Cb 0.96 -0.36 -0.05 0.00 0.02 0.00 0.00 35.03 35.60 3gtm n LYS 1261CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3gtm h LYS 1262N 0.00 -0.45 0.00 1.64 1.57 -1.63 -2.27 116.57 115.43 3gtm h LYS 1262Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3gtm h LYS 1262Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3gtm h LYS 1262CO 0.00 -0.30 0.00 -0.89 -0.57 0.00 0.00 179.45 177.69 3gtm n ILE 1263N -5.43 0.52 0.14 1.86 5.41 -1.20 -3.14 119.36 117.52 3gtm n ILE 1263Ca -0.04 0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.80 3gtm n ILE 1263Cb 0.35 -0.76 0.28 0.00 -0.71 0.00 0.00 39.64 38.80 3gtm n ILE 1263CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3gtm h GLU 1264N 0.00 0.09 0.00 0.38 4.57 -1.59 -2.99 114.58 115.04 3gtm h GLU 1264Ca 0.00 -0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 57.90 3gtm h GLU 1264Cb 0.42 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 3gtm h GLU 1264CO 0.00 0.50 -1.44 -0.97 -1.18 0.00 0.00 179.01 175.93 3gtm h ASN 1265N 0.07 0.00 -0.08 1.04 -0.73 -1.48 -3.32 115.58 111.09 3gtm h ASN 1265Ca 0.00 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.05 3gtm h ASN 1265Cb 0.79 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.37 3gtm h ASN 1265CO 0.06 0.87 -0.35 0.74 -0.37 0.00 0.00 177.43 178.38 3gtm h THR 1266N 0.00 1.29 0.00 -3.57 2.02 -1.63 -2.74 112.91 108.29 3gtm h THR 1266Ca -0.19 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.51 3gtm h THR 1266Cb 1.83 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 3gtm h THR 1266CO 0.08 0.47 0.00 0.23 0.37 0.00 0.00 175.52 176.67 3gtm n MET 1267N -4.06 0.52 0.00 6.66 2.81 -1.13 -3.45 117.12 118.46 3gtm n MET 1267Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3gtm n MET 1267Cb 0.48 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 3gtm n MET 1267CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3gtm n LEU 1268N 0.18 0.00 -1.13 4.03 4.77 -1.06 -4.60 117.00 119.21 3gtm n LEU 1268Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3gtm n LEU 1268Cb 0.12 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.45 3gtm n LEU 1268CO 0.00 -0.41 0.68 -0.62 -1.33 0.00 0.00 177.39 175.71 3gtm n GLU 1269N -2.24 2.74 -1.05 3.23 1.02 -1.07 -3.83 120.64 119.43 3gtm n GLU 1269Ca 0.00 -1.93 0.01 0.00 -0.02 0.00 0.00 57.16 55.22 3gtm n GLU 1269Cb 0.00 -1.64 -0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3gtm n GLU 1269CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gtm n ASN 1270N 0.75 0.34 -3.66 1.62 3.02 -1.22 -5.06 115.26 111.05 3gtm n ASN 1270Ca 0.18 -1.91 -0.20 0.00 -0.03 0.00 0.00 54.58 52.61 3gtm n ASN 1270Cb 0.61 -0.16 -0.18 0.00 -0.61 0.00 0.00 39.78 39.44 3gtm n ASN 1270CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3gtm s ILE 1271N 0.00 -0.12 -0.12 2.41 2.07 -1.25 -4.96 121.20 119.23 3gtm s ILE 1271Ca 0.16 0.38 -0.06 0.00 -1.41 0.00 0.00 60.65 59.73 3gtm s ILE 1271Cb 0.19 -0.20 -0.04 0.00 0.13 0.00 0.00 42.46 42.54 3gtm s ILE 1271CO -0.08 0.14 0.10 -0.89 -1.91 0.00 0.00 174.94 172.30 3gtm s THR 1272N 2.18 5.13 -0.08 4.00 2.01 -1.26 -3.26 115.64 124.36 3gtm s THR 1272Ca 0.05 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.04 3gtm s THR 1272Cb -0.12 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 3gtm s THR 1272CO -0.04 0.60 -0.15 0.18 -0.69 0.00 0.00 174.62 174.52 3gtm n LEU 1273N 2.19 0.86 -3.42 4.42 4.32 -0.59 -4.95 117.00 119.83 3gtm n LEU 1273Ca -0.19 0.16 -0.06 0.00 -0.02 0.00 0.00 56.01 55.90 3gtm n LEU 1273Cb 0.54 -0.61 -0.07 0.00 -1.62 0.00 0.00 43.42 41.66 3gtm n LEU 1273CO 0.31 -0.40 0.02 -0.60 -1.22 0.00 0.00 177.39 175.50 3gtm s ARG 1274N -1.84 0.39 0.00 3.23 3.52 -1.23 -5.05 118.95 117.97 3gtm s ARG 1274Ca -0.13 0.81 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 3gtm s ARG 1274Cb 0.02 0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 3gtm s ARG 1274CO 0.19 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 3gtm n GLY 1275N 5.39 3.16 3.81 8.12 0.00 -1.25 -3.25 105.19 121.17 3gtm n GLY 1275Ca -0.05 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 3gtm n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtm s VAL 1276N -2.00 5.11 0.40 1.61 1.01 -0.51 -4.78 120.40 121.25 3gtm s VAL 1276Ca 0.00 0.78 -0.25 0.00 0.00 0.00 0.00 61.98 62.51 3gtm s VAL 1276Cb 0.00 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 3gtm s VAL 1276CO 0.00 0.52 1.21 -1.83 0.00 0.00 0.00 175.10 175.01 3gtm s GLU 1277N -0.64 4.02 0.00 2.72 -1.05 -1.26 -2.63 118.70 119.86 3gtm s GLU 1277Ca 0.23 1.94 0.00 0.00 -0.15 0.00 0.00 54.97 56.99 3gtm s GLU 1277Cb -0.16 -2.70 0.00 0.00 -0.44 0.00 0.00 34.13 30.83 3gtm s GLU 1277CO 0.11 -0.38 0.00 0.09 0.95 0.00 0.00 175.26 176.03 3gtm n ASN 1278N 0.09 0.00 -4.40 0.83 3.02 -1.26 -4.74 115.26 108.80 3gtm n ASN 1278Ca 0.04 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.14 3gtm n ASN 1278Cb 0.45 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.62 3gtm n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gtm s ILE 1279N -2.36 5.50 -0.02 2.41 1.01 -1.08 -4.14 121.20 122.52 3gtm s ILE 1279Ca 0.00 -2.91 -0.12 0.00 0.00 0.00 0.00 60.65 57.62 3gtm s ILE 1279Cb 0.00 -4.73 -0.05 0.00 0.01 0.00 0.00 42.46 37.69 3gtm s ILE 1279CO 0.00 -1.37 0.34 -1.61 0.00 0.00 0.00 174.94 172.30 3gtm s GLU 1280N 0.25 3.78 0.27 2.79 2.02 -1.03 0.12 118.70 126.90 3gtm s GLU 1280Ca 0.35 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.58 3gtm s GLU 1280Cb -0.07 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.98 3gtm s GLU 1280CO -0.05 0.70 0.00 0.54 0.02 0.00 0.00 175.26 176.47 3gtm n ARG 1281N 1.73 -5.53 -3.74 1.61 1.74 -1.26 -3.34 116.66 107.86 3gtm n ARG 1281Ca -0.15 3.94 -0.28 0.00 -0.77 0.00 0.00 57.85 60.59 3gtm n ARG 1281Cb 0.53 -4.27 -0.16 0.00 -1.02 0.00 0.00 32.46 27.54 3gtm n ARG 1281CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gtm s VAL 1282N -1.03 0.57 -0.10 1.55 1.01 -1.26 -3.13 120.40 118.01 3gtm s VAL 1282Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3gtm s VAL 1282Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3gtm s VAL 1282CO 0.00 -0.20 0.12 -0.69 0.00 0.00 0.00 175.10 174.34 3gtm s VAL 1283N 1.84 5.31 -0.10 2.92 1.01 -1.07 -4.93 120.40 125.38 3gtm s VAL 1283Ca -0.01 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 3gtm s VAL 1283Cb -0.17 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3gtm s VAL 1283CO -0.08 0.57 0.22 -0.04 0.00 0.00 0.00 175.10 175.77 3gtm s MET 1284N -1.15 3.69 0.01 2.72 -1.94 -1.26 -0.04 119.30 121.33 3gtm s MET 1284Ca 0.17 0.02 -0.00 0.00 -1.71 0.00 0.00 55.69 54.16 3gtm s MET 1284Cb -0.12 -3.24 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 3gtm s MET 1284CO 0.06 0.67 -0.02 -1.64 -0.01 0.00 0.00 175.02 174.08 3gtm s MET 1285N -0.79 0.20 -0.43 2.03 -1.94 0.28 -4.97 119.30 113.69 3gtm s MET 1285Ca 0.17 -0.39 -0.19 0.00 -1.71 0.00 0.00 55.69 53.57 3gtm s MET 1285Cb -0.13 0.07 0.02 0.00 2.01 0.00 0.00 34.83 36.80 3gtm s MET 1285CO 0.06 -0.03 0.53 0.21 -0.01 0.00 0.00 175.02 175.78 3gtm s LYS 1286N -0.93 3.19 0.16 2.03 2.20 -1.26 -0.90 119.74 124.23 3gtm s LYS 1286Ca -0.10 -0.57 -0.04 0.00 -0.36 0.00 0.00 55.97 54.90 3gtm s LYS 1286Cb -0.06 -3.96 -0.05 0.00 -1.51 0.00 0.00 37.83 32.25 3gtm s LYS 1286CO -0.01 -0.92 0.39 0.71 -0.36 0.00 0.00 175.35 175.16 3gtm s TYR 1287N 2.46 3.47 -0.10 4.03 4.12 -0.71 -4.97 117.35 125.66 3gtm s TYR 1287Ca 0.17 0.54 -0.22 0.00 0.02 0.00 0.00 57.07 57.58 3gtm s TYR 1287Cb -0.16 -2.00 -0.04 0.00 -1.52 0.00 0.00 41.96 38.25 3gtm s TYR 1287CO 0.16 0.41 0.65 -0.51 0.02 0.00 0.00 175.55 176.29 3gtm s ASP 1288N -2.54 6.89 -0.07 2.29 1.11 -1.26 -2.00 116.67 121.09 3gtm s ASP 1288Ca 0.41 1.07 0.03 0.00 0.18 0.00 0.00 52.55 54.25 3gtm s ASP 1288Cb -0.12 -2.38 0.00 0.00 1.07 0.00 0.00 42.92 41.49 3gtm s ASP 1288CO 0.25 -0.12 -0.18 -0.60 1.18 0.00 0.00 175.17 175.70 3gtm s ARG 1289N 0.96 2.24 -0.19 8.23 3.52 -1.11 -4.93 118.95 127.66 3gtm s ARG 1289Ca 0.34 -0.64 -0.14 0.00 -0.13 0.00 0.00 55.73 55.17 3gtm s ARG 1289Cb -0.17 -1.79 -0.04 0.00 -1.56 0.00 0.00 34.95 31.39 3gtm s ARG 1289CO 0.15 0.14 0.29 0.15 -0.81 0.00 0.00 175.30 175.22 3gtm s LYS 1290N 0.39 4.20 0.02 5.12 1.02 -1.26 0.04 119.74 129.27 3gtm s LYS 1290Ca -0.14 0.05 0.00 0.00 0.02 0.00 0.00 55.97 55.91 3gtm s LYS 1290Cb -0.16 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 3gtm s LYS 1290CO 0.05 0.13 -0.03 0.08 -0.92 0.00 0.00 175.35 174.67 3gtm s VAL 1291N 0.80 0.12 -0.28 3.17 1.01 0.43 -4.83 120.40 120.83 3gtm s VAL 1291Ca 0.15 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 3gtm s VAL 1291Cb -0.13 -0.23 -0.08 0.00 0.00 0.00 0.00 36.38 35.93 3gtm s VAL 1291CO 0.05 -0.37 2.22 -2.65 0.00 0.00 0.00 175.10 174.35 3gtm n PRO 1292N 1.94 1.56 -1.29 2.72 -0.02 -1.26 -0.55 135.00 138.10 3gtm n PRO 1292Ca -0.21 0.42 -0.31 0.00 -2.02 0.00 0.00 63.50 61.38 3gtm n PRO 1292Cb 0.56 -2.91 0.09 0.00 -0.02 0.00 0.00 33.50 31.22 3gtm n PRO 1292CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gtm s SER 1293N 8.01 4.55 0.18 2.55 0.15 0.98 -4.90 113.70 125.22 3gtm s SER 1293Ca 1.05 1.79 -0.16 0.00 0.70 0.00 0.00 55.95 59.32 3gtm s SER 1293Cb -0.55 -2.50 0.14 0.00 -1.71 0.00 0.00 66.02 61.39 3gtm s SER 1293CO 0.41 -2.00 1.65 1.55 1.20 0.00 0.00 173.24 176.05 3gtm h PRO 1294N -1.11 -0.02 0.00 5.44 0.13 -1.92 -0.39 132.00 134.13 3gtm h PRO 1294Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3gtm h PRO 1294Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3gtm h PRO 1294CO 0.52 -0.01 0.00 -2.37 -0.23 0.00 0.00 178.00 175.91 3gtm n THR 1295N -5.36 1.40 0.00 1.56 5.66 -1.26 -4.86 114.28 111.42 3gtm n THR 1295Ca 0.04 0.40 0.00 0.00 -3.05 0.00 0.00 64.05 61.44 3gtm n THR 1295Cb 0.26 -1.30 0.00 0.00 -1.55 0.00 0.00 70.33 67.75 3gtm n THR 1295CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gtm n GLY 1296N -0.75 2.18 3.58 1.09 0.00 -0.16 -3.51 105.19 107.63 3gtm n GLY 1296Ca 0.01 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 3gtm n GLY 1296CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtm n GLU 1297N 0.00 0.04 -2.92 1.61 1.02 -1.26 -4.37 120.64 114.76 3gtm n GLU 1297Ca 0.00 0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 3gtm n GLU 1297Cb 0.00 -2.18 -0.05 0.00 -0.02 0.00 0.00 31.44 29.19 3gtm n GLU 1297CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3gtm s TYR 1298N -2.19 3.07 0.20 -0.32 1.51 -1.26 -0.01 117.35 118.34 3gtm s TYR 1298Ca 0.68 0.52 0.11 0.00 -1.01 0.00 0.00 57.07 57.36 3gtm s TYR 1298Cb -0.28 -3.54 -0.04 0.00 -0.11 0.00 0.00 41.96 37.99 3gtm s TYR 1298CO 0.57 -0.82 -0.18 0.08 -1.11 0.00 0.00 175.55 174.08 3gtm s VAL 1299N 3.26 2.67 -0.91 0.71 1.01 0.29 -4.82 120.40 122.60 3gtm s VAL 1299Ca 0.33 -1.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.16 3gtm s VAL 1299Cb -0.12 -2.31 0.08 0.00 0.00 0.00 0.00 36.38 34.02 3gtm s VAL 1299CO 0.19 -0.14 1.27 -0.54 0.00 0.00 0.00 175.10 175.88 3gtm s LYS 1300N -2.81 3.48 -0.38 2.72 1.02 -1.26 -0.43 119.74 122.09 3gtm s LYS 1300Ca 0.23 -1.18 -0.08 0.00 0.02 0.00 0.00 55.97 54.96 3gtm s LYS 1300Cb -0.08 -4.93 0.05 0.00 -0.52 0.00 0.00 37.83 32.35 3gtm s LYS 1300CO 0.12 -2.02 0.19 -2.00 -0.92 0.00 0.00 175.35 170.72 3gtm s GLU 1301N 4.24 2.65 -0.10 1.68 2.12 0.11 -4.92 118.70 124.48 3gtm s GLU 1301Ca 0.38 -1.27 -0.22 0.00 0.36 0.00 0.00 54.97 54.21 3gtm s GLU 1301Cb -0.05 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 3gtm s GLU 1301CO -0.04 -0.79 0.66 -1.25 -0.54 0.00 0.00 175.26 173.30 3gtm s PRO 1302N 1.44 4.39 0.43 4.30 0.05 -1.26 -2.77 135.00 141.58 3gtm s PRO 1302Ca 0.01 0.78 0.08 0.00 0.05 0.00 0.00 61.00 61.92 3gtm s PRO 1302Cb -0.21 -3.47 -0.01 0.00 0.05 0.00 0.00 34.50 30.87 3gtm s PRO 1302CO 0.03 0.03 0.40 -1.83 0.05 0.00 0.00 177.00 175.68 3gtm s GLU 1303N 0.96 2.51 -0.17 4.56 -1.05 -0.84 -4.77 118.70 119.91 3gtm s GLU 1303Ca 0.35 -1.57 -0.07 0.00 -0.15 0.00 0.00 54.97 53.52 3gtm s GLU 1303Cb -0.17 -2.38 -0.04 0.00 -0.44 0.00 0.00 34.13 31.10 3gtm s GLU 1303CO 0.16 -0.26 0.09 -1.58 0.95 0.00 0.00 175.26 174.62 3gtm s TRP 1304N -2.50 3.35 -0.01 4.83 0.52 0.11 -1.74 118.94 123.50 3gtm s TRP 1304Ca 0.48 0.24 -0.01 0.00 0.02 0.00 0.00 56.10 56.83 3gtm s TRP 1304Cb -0.03 -2.04 0.01 0.00 -1.15 0.00 0.00 33.47 30.25 3gtm s TRP 1304CO 0.28 0.33 0.03 0.08 0.02 0.00 0.00 176.95 177.69 3gtm s VAL 1305N -0.02 -0.01 0.07 4.03 1.01 -0.08 -4.23 120.40 121.17 3gtm s VAL 1305Ca 0.08 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 3gtm s VAL 1305Cb -0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 36.38 36.15 3gtm s VAL 1305CO 0.00 0.02 0.45 -0.76 0.00 0.00 0.00 175.10 174.81 3gtm s LEU 1306N 0.28 4.39 0.54 3.92 1.43 -0.87 -0.56 118.68 127.81 3gtm s LEU 1306Ca -0.02 0.93 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 3gtm s LEU 1306Cb -0.03 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.28 3gtm s LEU 1306CO -0.01 0.20 0.36 -1.61 0.23 0.00 0.00 176.35 175.53 3gtm s GLU 1307N -1.65 2.25 0.24 1.70 2.02 0.94 -1.45 118.70 122.74 3gtm s GLU 1307Ca 0.31 -2.05 -0.22 0.00 0.02 0.00 0.00 54.97 53.04 3gtm s GLU 1307Cb -0.15 -2.05 0.04 0.00 0.10 0.00 0.00 34.13 32.07 3gtm s GLU 1307CO 0.17 -0.58 0.68 -0.08 0.02 0.00 0.00 175.26 175.46 3gtm s THR 1308N -2.78 0.00 -0.20 3.63 -1.32 -1.26 -2.60 115.64 111.11 3gtm s THR 1308Ca 0.31 -0.67 0.02 0.00 -1.21 0.00 0.00 61.69 60.14 3gtm s THR 1308Cb -0.02 -1.66 0.03 0.00 -1.51 0.00 0.00 72.50 69.34 3gtm s THR 1308CO 0.19 -0.00 -0.17 -1.81 -2.21 0.00 0.00 174.62 170.62 3gtm s ASP 1309N -2.86 3.53 0.00 8.08 1.01 -1.18 -3.85 116.67 121.39 3gtm s ASP 1309Ca 0.08 -0.88 0.00 0.00 0.71 0.00 0.00 52.55 52.46 3gtm s ASP 1309Cb -0.04 -1.49 0.00 0.00 1.01 0.00 0.00 42.92 42.40 3gtm s ASP 1309CO 0.00 -0.06 0.00 0.61 0.21 0.00 0.00 175.17 175.93 3gtm n GLY 1310N 4.57 2.34 3.18 0.21 0.00 -1.07 -2.46 105.19 111.96 3gtm n GLY 1310Ca -0.19 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 3gtm n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtm s VAL 1311N -2.56 1.63 -0.35 1.61 1.01 -1.26 -4.52 120.40 115.96 3gtm s VAL 1311Ca 0.00 -0.83 0.14 0.00 0.00 0.00 0.00 61.98 61.29 3gtm s VAL 1311Cb 0.00 -1.39 0.43 0.00 0.00 0.00 0.00 36.38 35.42 3gtm s VAL 1311CO 0.00 0.46 1.24 -3.20 0.00 0.00 0.00 175.10 173.61 3gtm n ASN 1312N 3.06 -0.47 -0.37 3.32 2.85 -1.26 -4.89 115.26 117.50 3gtm n ASN 1312Ca -0.18 -2.44 0.30 0.00 -0.11 0.00 0.00 54.58 52.15 3gtm n ASN 1312Cb 0.53 0.34 0.57 0.00 1.24 0.00 0.00 39.78 42.46 3gtm n ASN 1312CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3gtm h LEU 1313N 2.20 0.37 -2.04 1.20 5.85 -1.98 0.27 115.31 121.18 3gtm h LEU 1313Ca -0.24 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.69 3gtm h LEU 1313Cb 1.26 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 3gtm h LEU 1313CO 0.11 -0.20 0.35 0.77 -0.34 0.00 0.00 178.44 179.13 3gtm h SER 1314N 0.18 0.00 0.00 1.25 4.64 -1.96 -3.13 113.55 114.53 3gtm h SER 1314Ca 0.78 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.10 3gtm h SER 1314Cb 2.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.20 3gtm h SER 1314CO -0.54 0.00 -0.83 -0.62 -0.87 0.00 0.00 176.83 173.96 3gtm n GLU 1315N -3.19 0.00 -0.35 4.77 1.02 0.90 -4.61 120.64 119.18 3gtm n GLU 1315Ca 0.01 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.25 3gtm n GLU 1315Cb 0.43 -0.77 0.28 0.00 -0.02 0.00 0.00 31.44 31.36 3gtm n GLU 1315CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gtm h VAL 1316N 0.00 0.78 -0.73 2.62 2.07 -1.48 0.36 116.25 119.87 3gtm h VAL 1316Ca 0.00 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.32 3gtm h VAL 1316Cb 0.83 -0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3gtm h VAL 1316CO 0.00 0.15 0.40 -0.03 0.02 0.00 0.00 177.57 178.11 3gtm h MET 1317N 0.82 0.67 0.00 1.57 1.85 -1.80 -1.81 114.93 116.24 3gtm h MET 1317Ca 0.53 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.58 3gtm h MET 1317Cb 0.72 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.60 3gtm h MET 1317CO -0.34 0.45 0.00 0.25 -0.40 0.00 0.00 176.91 176.87 3gtm n THR 1318N -4.80 0.23 -2.21 -0.77 -2.24 0.10 -4.69 114.28 99.90 3gtm n THR 1318Ca 0.11 0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.57 3gtm n THR 1318Cb 0.23 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.76 3gtm n THR 1318CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gtm s VAL 1319N -2.42 2.99 0.36 2.28 1.01 -0.68 -5.03 120.40 118.91 3gtm s VAL 1319Ca 0.24 0.79 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 3gtm s VAL 1319Cb 0.15 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 33.03 3gtm s VAL 1319CO 0.32 0.03 0.76 -2.84 0.00 0.00 0.00 175.10 173.36 3gtm s PRO 1320N -2.54 3.94 0.00 2.72 0.02 -1.26 -4.16 135.00 133.71 3gtm s PRO 1320Ca 0.61 0.63 0.00 0.00 0.02 0.00 0.00 61.00 62.26 3gtm s PRO 1320Cb -0.31 -2.40 0.00 0.00 0.02 0.00 0.00 34.50 31.81 3gtm s PRO 1320CO 0.38 0.08 0.00 0.41 -0.33 0.00 0.00 177.00 177.54 3gtm n GLY 1321N -0.69 3.27 3.94 0.52 0.00 -1.26 -5.02 105.19 105.94 3gtm n GLY 1321Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 3gtm n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gtm s ILE 1322N -2.92 4.93 -0.60 -0.61 -4.36 -1.26 -0.99 121.20 115.39 3gtm s ILE 1322Ca 0.00 -0.34 -0.25 0.00 -0.26 0.00 0.00 60.65 59.81 3gtm s ILE 1322Cb 0.00 -3.82 0.04 0.00 1.25 0.00 0.00 42.46 39.94 3gtm s ILE 1322CO 0.00 -0.59 1.02 -0.62 0.24 0.00 0.00 174.94 174.99 3gtm s ASP 1323N -4.07 6.30 -0.08 4.36 -1.08 -0.34 -4.33 116.67 117.43 3gtm s ASP 1323Ca 0.42 -0.44 0.02 0.00 -0.52 0.00 0.00 52.55 52.04 3gtm s ASP 1323Cb -0.10 -2.46 0.19 0.00 -1.46 0.00 0.00 42.92 39.08 3gtm s ASP 1323CO 0.38 -1.38 0.98 -0.81 0.52 0.00 0.00 175.17 174.85 3gtm n PRO 1324N 7.89 1.69 0.00 4.34 -0.05 -1.26 -2.92 135.00 144.69 3gtm n PRO 1324Ca 0.02 -0.76 0.00 0.00 -0.05 0.00 0.00 63.50 62.71 3gtm n PRO 1324Cb 0.47 -1.53 0.00 0.00 -0.05 0.00 0.00 33.50 32.40 3gtm n PRO 1324CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 3gtm n THR 1325N 0.13 0.00 -1.07 0.52 5.66 -1.26 -4.68 114.28 113.58 3gtm n THR 1325Ca 0.10 -0.22 0.08 0.00 -3.05 0.00 0.00 64.05 60.97 3gtm n THR 1325Cb 0.61 0.71 0.11 0.00 -1.55 0.00 0.00 70.33 70.22 3gtm n THR 1325CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3gtm n ARG 1326N -1.24 1.28 -2.34 1.09 1.74 -1.15 -5.04 116.66 111.01 3gtm n ARG 1326Ca 0.00 -2.32 -0.41 0.00 -0.77 0.00 0.00 57.85 54.35 3gtm n ARG 1326Cb 0.00 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 3gtm n ARG 1326CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3gtm s ILE 1327N -2.42 3.36 0.02 0.55 2.07 -1.24 -4.53 121.20 119.01 3gtm s ILE 1327Ca 0.26 1.22 -0.00 0.00 -1.41 0.00 0.00 60.65 60.72 3gtm s ILE 1327Cb 0.23 -3.78 -0.02 0.00 0.13 0.00 0.00 42.46 39.02 3gtm s ILE 1327CO 0.02 0.24 -0.02 -0.47 -1.91 0.00 0.00 174.94 172.80 3gtm s TYR 1328N -0.50 0.26 -0.01 3.50 5.04 -0.64 -5.01 117.35 119.99 3gtm s TYR 1328Ca 0.51 -0.54 -0.00 0.00 -2.44 0.00 0.00 57.07 54.60 3gtm s TYR 1328Cb -0.34 -0.19 0.02 0.00 0.35 0.00 0.00 41.96 41.79 3gtm s TYR 1328CO 0.41 -0.20 0.02 0.99 -1.34 0.00 0.00 175.55 175.42 3gtm s THR 1329N -1.56 -0.03 -2.00 4.34 2.01 -1.26 0.15 115.64 117.28 3gtm s THR 1329Ca -0.15 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.04 3gtm s THR 1329Cb -0.09 -0.05 0.20 0.00 0.01 0.00 0.00 72.50 72.56 3gtm s THR 1329CO -0.01 0.05 0.94 -0.46 -0.69 0.00 0.00 174.62 174.44 3gtm n ASN 1330N 3.71 0.00 -4.00 3.53 0.23 -1.04 -3.52 115.26 114.18 3gtm n ASN 1330Ca -0.21 -0.97 -0.43 0.00 -0.53 0.00 0.00 54.58 52.44 3gtm n ASN 1330Cb 0.54 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.25 3gtm n ASN 1330CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3gtm n SER 1331N -0.68 6.31 -0.32 0.53 2.88 -1.26 -4.85 113.62 116.22 3gtm n SER 1331Ca 0.05 -3.38 0.26 0.00 -1.33 0.00 0.00 58.87 54.47 3gtm n SER 1331Cb 0.02 -1.29 0.57 0.00 -0.75 0.00 0.00 64.21 62.76 3gtm n SER 1331CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 3gtm h PHE 1332N 5.48 0.50 -0.04 0.66 -5.15 -1.89 0.70 116.94 117.21 3gtm h PHE 1332Ca 0.22 0.02 0.01 0.00 -0.20 0.00 0.00 57.97 58.02 3gtm h PHE 1332Cb 0.62 -0.15 -0.00 0.00 0.22 0.00 0.00 35.95 36.64 3gtm h PHE 1332CO 1.03 0.04 0.03 0.97 -2.00 0.00 0.00 178.31 178.38 3gtm h ILE 1333N 0.29 0.88 0.02 0.88 -0.00 -1.92 -1.52 117.51 116.14 3gtm h ILE 1333Ca 0.59 0.00 -0.07 0.00 -0.00 0.00 0.00 64.86 65.38 3gtm h ILE 1333Cb 1.69 0.98 0.01 0.00 -0.00 0.00 0.00 36.82 39.49 3gtm h ILE 1333CO -0.23 0.00 -0.27 0.44 -0.00 0.00 0.00 178.15 178.08 3gtm h ASP 1334N 0.00 0.20 0.00 2.19 3.32 -1.26 -3.19 116.42 117.67 3gtm h ASP 1334Ca 0.02 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.21 3gtm h ASP 1334Cb 0.08 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3gtm h ASP 1334CO -0.00 1.04 0.00 -0.38 -1.72 0.00 0.00 179.24 178.18 3gtm n ILE 1335N -4.48 0.00 -0.12 0.35 5.41 -0.63 -0.16 119.36 119.74 3gtm n ILE 1335Ca -0.10 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.41 3gtm n ILE 1335Cb 0.55 -0.62 -0.08 0.00 -0.71 0.00 0.00 39.64 38.77 3gtm n ILE 1335CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 3gtm n MET 1336N -0.66 0.57 0.28 0.38 1.56 -0.89 -3.18 117.12 115.18 3gtm n MET 1336Ca 0.01 0.30 0.15 0.00 -0.27 0.00 0.00 57.70 57.88 3gtm n MET 1336Cb 0.00 -1.52 0.84 0.00 2.15 0.00 0.00 33.22 34.70 3gtm n MET 1336CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 3gtm h GLU 1337N -1.00 0.00 0.00 2.12 5.08 -0.58 -1.55 114.58 118.65 3gtm h GLU 1337Ca -0.50 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.55 3gtm h GLU 1337Cb 1.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.61 3gtm h GLU 1337CO -0.30 0.06 -2.14 0.28 -1.00 0.00 0.00 179.01 175.91 3gtm n VAL 1338N -3.68 1.14 0.89 3.13 0.31 -0.81 -4.70 118.33 114.61 3gtm n VAL 1338Ca -0.02 -0.40 0.11 0.00 -0.01 0.00 0.00 64.34 64.02 3gtm n VAL 1338Cb 0.16 -1.34 0.10 0.00 -0.91 0.00 0.00 33.84 31.84 3gtm n VAL 1338CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3gtm n LEU 1339N -3.29 2.86 0.00 7.52 4.77 -1.22 -5.07 117.00 122.56 3gtm n LEU 1339Ca -0.37 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 3gtm n LEU 1339Cb 0.85 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3gtm n LEU 1339CO 0.15 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3gtm n GLY 1340N 1.24 -0.98 0.39 -0.72 0.00 -0.58 -4.44 105.19 100.10 3gtm n GLY 1340Ca 0.13 -1.34 0.25 0.00 0.00 0.00 0.00 46.02 45.06 3gtm n GLY 1340CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3gtm h ILE 1341N 0.00 0.39 0.00 -0.61 2.10 -1.87 0.14 117.51 117.66 3gtm h ILE 1341Ca 0.00 -0.12 -0.02 0.00 1.08 0.00 0.00 64.86 65.79 3gtm h ILE 1341Cb 0.00 0.01 -0.00 0.00 -1.09 0.00 0.00 36.82 35.73 3gtm h ILE 1341CO 0.00 0.06 -0.11 -0.33 -1.08 0.00 0.00 178.15 176.69 3gtm h GLU 1342N 0.35 0.00 0.15 2.19 4.39 -1.94 0.67 114.58 120.39 3gtm h GLU 1342Ca 0.68 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 60.08 3gtm h GLU 1342Cb 1.69 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.35 3gtm h GLU 1342CO -0.43 0.11 -1.40 0.00 -1.16 0.00 0.00 179.01 176.13 3gtm h ALA 1343N 1.89 0.12 -0.71 3.43 0.00 -0.95 -3.26 119.26 119.78 3gtm h ALA 1343Ca -0.00 -0.97 0.08 0.00 0.00 0.00 0.00 54.91 54.02 3gtm h ALA 1343Cb 0.24 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3gtm h ALA 1343CO 0.01 0.99 0.37 0.78 0.00 0.00 0.00 179.25 181.41 3gtm h GLY 1344N 1.37 1.06 0.24 0.00 0.00 -0.75 -0.07 103.07 104.92 3gtm h GLY 1344Ca -0.20 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3gtm h GLY 1344CO 0.20 0.10 -0.45 -0.09 0.00 0.00 0.00 176.54 176.29 3gtm h ARG 1345N 0.65 -0.72 -0.52 4.80 2.43 -1.03 0.31 114.38 120.30 3gtm h ARG 1345Ca 0.34 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.65 3gtm h ARG 1345Cb 0.31 0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.92 3gtm h ARG 1345CO -0.24 -0.48 -0.33 0.00 -1.51 0.00 0.00 179.97 177.41 3gtm h ALA 1346N -0.82 -0.10 -0.80 2.80 0.00 -1.49 0.89 119.26 119.74 3gtm h ALA 1346Ca -0.03 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3gtm h ALA 1346Cb 0.70 0.76 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 3gtm h ALA 1346CO -0.17 -0.70 0.45 0.00 0.00 0.00 0.00 179.25 178.83 3gtm h ALA 1347N 0.90 1.13 -0.75 0.00 0.00 -0.62 -0.59 119.26 119.34 3gtm h ALA 1347Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gtm h ALA 1347Cb 0.54 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3gtm h ALA 1347CO -0.63 0.08 0.48 1.25 0.00 0.00 0.00 179.25 180.44 3gtm h LEU 1348N 0.76 0.87 0.10 0.00 5.85 0.18 -0.14 115.31 122.94 3gtm h LEU 1348Ca 0.39 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 3gtm h LEU 1348Cb 0.35 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3gtm h LEU 1348CO -0.24 0.64 -0.05 0.22 -0.34 0.00 0.00 178.44 178.67 3gtm h TYR 1349N 1.01 -0.13 -0.23 1.25 3.20 -0.00 -1.40 116.97 120.67 3gtm h TYR 1349Ca 0.27 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.16 3gtm h TYR 1349Cb -0.10 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3gtm h TYR 1349CO -0.02 0.11 0.16 -0.22 -1.64 0.00 0.00 178.16 176.55 3gtm h LYS 1350N -0.37 0.20 0.00 1.82 3.64 -0.94 0.31 116.57 121.24 3gtm h LYS 1350Ca -0.01 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 3gtm h LYS 1350Cb 0.30 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3gtm h LYS 1350CO 0.02 0.13 -0.54 1.49 -2.27 0.00 0.00 179.45 178.29 3gtm h GLU 1351N 0.21 0.00 0.02 1.90 4.57 -0.81 -2.88 114.58 117.59 3gtm h GLU 1351Ca 0.10 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 3gtm h GLU 1351Cb 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 3gtm h GLU 1351CO -0.02 0.54 -0.19 0.28 -1.18 0.00 0.00 179.01 178.44 3gtm h VAL 1352N 0.00 1.67 -0.30 0.32 2.07 0.17 -3.32 116.25 116.86 3gtm h VAL 1352Ca -0.01 -2.20 0.07 0.00 0.82 0.00 0.00 66.70 65.38 3gtm h VAL 1352Cb 1.23 3.14 -0.08 0.00 -1.52 0.00 0.00 31.29 34.06 3gtm h VAL 1352CO 0.07 0.59 -0.32 0.22 0.02 0.00 0.00 177.57 178.15 3gtm h TYR 1353N -0.75 -0.87 0.00 1.57 3.20 -0.49 -1.43 116.97 118.20 3gtm h TYR 1353Ca -0.03 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3gtm h TYR 1353Cb 1.07 0.43 -0.00 0.00 1.54 0.00 0.00 36.73 39.77 3gtm h TYR 1353CO 0.23 -0.38 -0.01 -0.91 -1.64 0.00 0.00 178.16 175.45 3gtm h ASN 1354N -0.29 0.00 -0.09 -2.11 2.35 -1.68 0.59 115.58 114.34 3gtm h ASN 1354Ca 0.15 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 3gtm h ASN 1354Cb 0.53 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.91 3gtm h ASN 1354CO -0.47 0.01 -0.44 0.58 -1.65 0.00 0.00 177.43 175.46 3gtm h VAL 1355N 0.00 1.38 0.00 2.81 2.07 -1.37 -2.16 116.25 118.98 3gtm h VAL 1355Ca -0.00 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.73 3gtm h VAL 1355Cb 0.30 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3gtm h VAL 1355CO 0.00 0.53 -0.04 0.40 0.02 0.00 0.00 177.57 178.49 3gtm h ILE 1356N 0.04 0.00 0.00 4.57 2.04 -0.82 -3.23 117.51 120.11 3gtm h ILE 1356Ca -0.03 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3gtm h ILE 1356Cb 1.09 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3gtm h ILE 1356CO 0.09 0.00 -0.76 0.00 0.00 0.00 0.00 178.15 177.48 3gtm n ALA 1357N -1.89 3.82 0.01 1.87 0.00 0.20 -3.08 120.51 121.44 3gtm n ALA 1357Ca 0.05 -0.43 -0.19 0.00 0.00 0.00 0.00 53.44 52.88 3gtm n ALA 1357Cb 0.46 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 3gtm n ALA 1357CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gtm h SER 1358N 0.00 0.92 0.08 0.00 4.64 -1.40 -3.15 113.55 114.63 3gtm h SER 1358Ca 0.00 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 3gtm h SER 1358Cb 0.56 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3gtm h SER 1358CO 0.00 1.47 0.00 0.44 -0.87 0.00 0.00 176.83 177.87 3gtm h ASP 1359N 0.46 0.00 0.00 4.97 3.32 -1.69 -3.45 116.42 120.04 3gtm h ASP 1359Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3gtm h ASP 1359Cb 1.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.11 3gtm h ASP 1359CO 0.18 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.31 3gtm n GLY 1360N -1.06 0.74 3.83 2.75 0.00 -1.19 -5.05 105.19 105.20 3gtm n GLY 1360Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3gtm n GLY 1360CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gtm s SER 1361N -2.42 6.95 -0.12 1.61 0.01 -1.18 -5.04 113.70 113.51 3gtm s SER 1361Ca 0.00 1.20 0.02 0.00 1.31 0.00 0.00 55.95 58.49 3gtm s SER 1361Cb 0.00 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 3gtm s SER 1361CO 0.00 0.15 -0.19 -0.47 0.41 0.00 0.00 173.24 173.14 3gtm s TYR 1362N -1.35 2.68 -0.02 2.43 5.04 -1.26 -4.09 117.35 120.77 3gtm s TYR 1362Ca 0.36 -0.91 0.07 0.00 -2.44 0.00 0.00 57.07 54.14 3gtm s TYR 1362Cb -0.17 -1.78 -0.01 0.00 0.35 0.00 0.00 41.96 40.35 3gtm s TYR 1362CO 0.19 -0.35 -0.22 0.08 -1.34 0.00 0.00 175.55 173.91 3gtm s VAL 1363N 0.40 1.76 0.17 3.14 1.01 -1.26 -4.72 120.40 120.90 3gtm s VAL 1363Ca -0.14 -0.94 -0.32 0.00 0.00 0.00 0.00 61.98 60.58 3gtm s VAL 1363Cb -0.17 -1.47 -0.10 0.00 0.00 0.00 0.00 36.38 34.64 3gtm s VAL 1363CO 0.07 0.50 1.57 0.21 0.00 0.00 0.00 175.10 177.44 3gtm s ASN 1364N -0.42 6.58 0.20 3.32 3.04 -1.09 -4.87 114.94 121.68 3gtm s ASN 1364Ca 0.06 2.63 0.08 0.00 0.04 0.00 0.00 52.86 55.67 3gtm s ASN 1364Cb -0.09 -2.60 0.63 0.00 -1.54 0.00 0.00 41.25 37.65 3gtm s ASN 1364CO -0.00 -0.83 0.89 0.00 -3.04 0.00 0.00 177.10 174.13 3gtm n TYR 1365N 3.90 0.54 0.10 0.43 9.36 -1.26 -1.17 117.16 129.06 3gtm n TYR 1365Ca 0.14 0.68 -0.12 0.00 3.32 0.00 0.00 57.90 61.91 3gtm n TYR 1365Cb 0.38 -1.04 -0.05 0.00 -0.63 0.00 0.00 39.34 38.00 3gtm n TYR 1365CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 3gtm h ARG 1366N 0.00 -0.45 -0.32 2.98 0.11 -1.89 0.29 114.38 115.09 3gtm h ARG 1366Ca 0.43 0.03 0.04 0.00 0.10 0.00 0.00 59.98 60.58 3gtm h ARG 1366Cb 1.05 0.10 -0.04 0.00 1.11 0.00 0.00 29.97 32.19 3gtm h ARG 1366CO -0.48 -0.30 0.07 0.45 0.10 0.00 0.00 179.97 179.82 3gtm h HIS 1367N -0.47 0.13 0.26 4.08 3.86 -1.47 -0.74 115.15 120.79 3gtm h HIS 1367Ca 0.04 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3gtm h HIS 1367Cb 0.51 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.98 3gtm h HIS 1367CO -0.26 0.03 -0.12 0.52 0.86 0.00 0.00 177.93 178.96 3gtm h MET 1368N 0.19 -0.33 -1.09 2.45 2.86 -1.60 -3.00 114.93 114.41 3gtm h MET 1368Ca 0.15 0.02 0.30 0.00 -2.06 0.00 0.00 59.70 58.11 3gtm h MET 1368Cb 0.15 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 3gtm h MET 1368CO -0.19 0.03 0.75 0.00 1.06 0.00 0.00 176.91 178.56 3gtm h ALA 1369N -0.28 2.75 0.03 6.32 0.00 -0.27 0.28 119.26 128.09 3gtm h ALA 1369Ca -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gtm h ALA 1369Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3gtm h ALA 1369CO 0.06 -1.10 -0.02 1.25 0.00 0.00 0.00 179.25 179.44 3gtm h LEU 1370N 0.15 -0.04 -0.96 0.00 5.85 -1.12 0.31 115.31 119.50 3gtm h LEU 1370Ca 0.55 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3gtm h LEU 1370Cb 1.90 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.88 3gtm h LEU 1370CO -0.12 0.37 0.63 0.25 -0.34 0.00 0.00 178.44 179.24 3gtm h LEU 1371N -0.46 1.06 -0.88 2.25 5.85 -0.66 -2.19 115.31 120.28 3gtm h LEU 1371Ca -0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3gtm h LEU 1371Cb 0.42 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3gtm h LEU 1371CO 0.01 0.73 0.49 0.58 -0.34 0.00 0.00 178.44 179.91 3gtm h VAL 1372N 1.23 1.25 -0.41 1.05 2.07 -0.45 -3.00 116.25 118.00 3gtm h VAL 1372Ca 0.38 -0.62 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 3gtm h VAL 1372Cb -0.03 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 3gtm h VAL 1372CO -0.11 0.28 -0.32 0.44 0.02 0.00 0.00 177.57 177.88 3gtm h ASP 1373N 1.23 1.00 0.13 0.57 3.32 -0.38 -2.83 116.42 119.45 3gtm h ASP 1373Ca 0.31 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3gtm h ASP 1373Cb 0.02 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 3gtm h ASP 1373CO -0.05 1.22 -0.08 0.58 -1.72 0.00 0.00 179.24 179.20 3gtm h VAL 1374N 0.78 0.80 0.00 -1.35 2.07 -1.30 -0.84 116.25 116.40 3gtm h VAL 1374Ca 0.08 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3gtm h VAL 1374Cb 0.90 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3gtm h VAL 1374CO 0.08 0.07 0.00 0.24 0.02 0.00 0.00 177.57 177.99 3gtm h MET 1375N 0.00 0.00 0.00 1.57 2.86 -1.37 -3.40 114.93 114.59 3gtm h MET 1375Ca -0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.42 3gtm h MET 1375Cb 0.16 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 3gtm h MET 1375CO 0.01 0.00 -1.77 0.25 1.06 0.00 0.00 176.91 176.46 3gtm n THR 1376N -2.42 0.76 -0.37 2.22 -2.24 -0.45 -1.72 114.28 110.07 3gtm n THR 1376Ca 0.05 -0.23 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 3gtm n THR 1376Cb 0.43 -1.44 0.01 0.00 -2.10 0.00 0.00 70.33 67.22 3gtm n THR 1376CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3gtm h THR 1377N -0.33 0.01 -0.97 4.28 1.35 -1.43 0.14 112.91 115.97 3gtm h THR 1377Ca -0.34 0.00 0.39 0.00 -0.55 0.00 0.00 66.41 65.91 3gtm h THR 1377Cb 1.36 0.01 -0.18 0.00 -1.73 0.00 0.00 68.15 67.62 3gtm h THR 1377CO -0.16 0.00 0.46 0.00 -0.25 0.00 0.00 175.52 175.57 3gtm n GLN 1378N -5.42 -0.06 0.00 4.72 6.02 -1.26 -4.79 117.38 116.59 3gtm n GLN 1378Ca 0.08 1.35 0.00 0.00 -0.01 0.00 0.00 57.00 58.42 3gtm n GLN 1378Cb 0.37 -2.39 0.00 0.00 1.02 0.00 0.00 30.24 29.24 3gtm n GLN 1378CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gtm n GLY 1379N -1.28 3.65 0.00 1.08 0.00 0.50 -5.10 105.19 104.03 3gtm n GLY 1379Ca 0.35 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3gtm n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtm n GLY 1380N 0.00 1.11 2.40 -0.02 0.00 -1.25 -4.90 105.19 102.52 3gtm n GLY 1380Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3gtm n GLY 1380CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtm n LEU 1381N 0.00 0.48 -4.63 0.99 4.77 -1.25 -4.47 117.00 112.89 3gtm n LEU 1381Ca 0.00 -4.66 -0.43 0.00 -0.03 0.00 0.00 56.01 50.90 3gtm n LEU 1381Cb 0.00 0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3gtm n LEU 1381CO 0.00 1.92 1.57 -0.89 -1.33 0.00 0.00 177.39 178.66 3gtm s THR 1382N -0.70 3.33 0.78 -5.08 2.01 -0.70 -4.88 115.64 110.40 3gtm s THR 1382Ca 0.33 0.37 -0.13 0.00 0.31 0.00 0.00 61.69 62.58 3gtm s THR 1382Cb 0.08 -3.34 0.07 0.00 0.01 0.00 0.00 72.50 69.31 3gtm s THR 1382CO -0.16 -0.15 1.15 -0.94 -0.69 0.00 0.00 174.62 173.84 3gtm s SER 1383N 5.48 4.03 -0.71 3.53 1.04 -1.26 -4.61 113.70 121.19 3gtm s SER 1383Ca 0.84 2.15 -0.02 0.00 0.48 0.00 0.00 55.95 59.39 3gtm s SER 1383Cb -0.31 -2.56 0.35 0.00 0.10 0.00 0.00 66.02 63.59 3gtm s SER 1383CO 0.34 -2.37 2.11 0.52 0.98 0.00 0.00 173.24 174.82 3gtm n VAL 1384N -3.28 3.53 -4.43 5.02 0.31 -0.92 -1.09 118.33 117.48 3gtm n VAL 1384Ca 0.12 -3.52 -0.23 0.00 -0.01 0.00 0.00 64.34 60.70 3gtm n VAL 1384Cb 0.52 -1.25 -0.09 0.00 -0.91 0.00 0.00 33.84 32.11 3gtm n VAL 1384CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gtm s THR 1385N -4.53 0.48 0.12 2.52 2.01 -1.26 -4.79 115.64 110.18 3gtm s THR 1385Ca 0.56 -2.00 -0.20 0.00 0.31 0.00 0.00 61.69 60.36 3gtm s THR 1385Cb 0.45 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 3gtm s THR 1385CO -0.23 0.00 1.08 -1.14 -0.69 0.00 0.00 174.62 173.64 3gtm n ARG 1386N -0.77 -0.28 0.23 4.92 0.63 -1.26 -1.00 116.66 119.13 3gtm n ARG 1386Ca -0.02 1.06 0.14 0.00 -0.92 0.00 0.00 57.85 58.10 3gtm n ARG 1386Cb 0.65 -1.56 0.78 0.00 0.45 0.00 0.00 32.46 32.77 3gtm n ARG 1386CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3gtm h HIS 1387N 0.00 0.00 0.00 -0.14 3.86 -1.95 -3.32 115.15 113.60 3gtm h HIS 1387Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3gtm h HIS 1387Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 3gtm h HIS 1387CO -0.70 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.50 3gtm n GLY 1388N -1.45 1.15 0.28 2.45 0.00 -0.17 -4.54 105.19 102.91 3gtm n GLY 1388Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 3gtm n GLY 1388CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3gtm h PHE 1389N 0.00 0.00 -0.06 1.61 -5.15 -1.16 -1.75 116.94 110.44 3gtm h PHE 1389Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3gtm h PHE 1389Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3gtm h PHE 1389CO 0.00 0.00 0.00 -1.71 -2.00 0.00 0.00 178.31 174.60 3gtm n ASN 1390N -2.68 0.97 -0.00 -0.68 5.15 -1.25 -3.11 115.26 113.66 3gtm n ASN 1390Ca -0.02 -1.46 0.08 0.00 -0.60 0.00 0.00 54.58 52.58 3gtm n ASN 1390Cb 0.25 -0.03 -0.10 0.00 -0.53 0.00 0.00 39.78 39.38 3gtm n ASN 1390CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 3gtm n ARG 1391N -0.19 1.53 -0.43 1.20 1.85 -0.66 -4.94 116.66 115.02 3gtm n ARG 1391Ca 0.18 -0.02 -0.20 0.00 -1.00 0.00 0.00 57.85 56.81 3gtm n ARG 1391Cb 0.24 -1.28 0.19 0.00 -1.05 0.00 0.00 32.46 30.56 3gtm n ARG 1391CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3gtm n SER 1392N -1.45 -2.62 -0.81 2.89 3.41 -1.18 -4.89 113.62 108.97 3gtm n SER 1392Ca 0.02 -0.77 0.02 0.00 -0.26 0.00 0.00 58.87 57.88 3gtm n SER 1392Cb 0.27 -0.68 0.09 0.00 -0.26 0.00 0.00 64.21 63.63 3gtm n SER 1392CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gtm n ASN 1393N -4.60 2.05 -4.69 4.04 3.02 -1.26 -4.91 115.26 108.91 3gtm n ASN 1393Ca 0.10 -2.21 -0.30 0.00 -0.03 0.00 0.00 54.58 52.14 3gtm n ASN 1393Cb 0.40 -0.54 0.15 0.00 -0.61 0.00 0.00 39.78 39.18 3gtm n ASN 1393CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gtm s THR 1394N -1.40 2.62 0.63 3.41 2.01 -1.26 -4.96 115.64 116.69 3gtm s THR 1394Ca 0.12 0.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.14 3gtm s THR 1394Cb 0.09 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 3gtm s THR 1394CO 0.04 -0.26 0.97 0.61 -0.69 0.00 0.00 174.62 175.28 3gtm n GLY 1395N -0.65 -0.32 0.19 4.40 0.00 -1.26 -4.85 105.19 102.69 3gtm n GLY 1395Ca 0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 3gtm n GLY 1395CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtm h ALA 1396N 0.34 0.08 0.00 4.61 0.00 -1.93 -2.56 119.26 119.80 3gtm h ALA 1396Ca -0.49 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3gtm h ALA 1396Cb 1.36 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3gtm h ALA 1396CO 0.50 -0.54 0.00 -0.07 0.00 0.00 0.00 179.25 179.14 3gtm h LEU 1397N -0.10 0.00 0.03 0.00 3.38 -1.97 -2.15 115.31 114.50 3gtm h LEU 1397Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3gtm h LEU 1397Cb 0.31 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 3gtm h LEU 1397CO -0.33 0.00 -0.23 -0.03 0.09 0.00 0.00 178.44 177.94 3gtm h MET 1398N 0.00 0.10 0.00 1.13 4.05 -1.82 -3.28 114.93 115.12 3gtm h MET 1398Ca 0.00 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 3gtm h MET 1398Cb 0.35 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 3gtm h MET 1398CO 0.00 1.02 0.00 0.00 0.23 0.00 0.00 176.91 178.16 3gtm h ARG 1399N -0.74 0.00 -0.29 0.39 3.08 -1.34 -2.66 114.38 112.83 3gtm h ARG 1399Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3gtm h ARG 1399Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3gtm h ARG 1399CO 0.04 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.94 3gtm n SER 1401N 1.15 2.50 -3.70 0.00 3.41 -1.00 -4.56 113.62 111.42 3gtm n SER 1401Ca 0.18 -1.93 -0.15 0.00 -0.26 0.00 0.00 58.87 56.71 3gtm n SER 1401Cb 0.53 -0.27 -0.15 0.00 -0.26 0.00 0.00 64.21 64.07 3gtm n SER 1401CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gtm s PHE 1402N -1.47 -0.23 0.00 7.33 5.36 -1.25 -4.88 117.98 122.84 3gtm s PHE 1402Ca 0.33 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 56.95 3gtm s PHE 1402Cb 0.18 -0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 3gtm s PHE 1402CO 0.24 -0.25 0.00 0.39 -1.46 0.00 0.00 175.22 174.14 3gtm n GLU 1403N 4.90 0.00 -1.55 10.12 1.02 -1.26 -4.42 120.64 129.46 3gtm n GLU 1403Ca -0.13 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.64 3gtm n GLU 1403Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.89 3gtm n GLU 1403CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3gtm n GLU 1404N 0.00 1.03 0.00 3.49 1.02 -1.26 -4.65 120.64 120.27 3gtm n GLU 1404Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3gtm n GLU 1404Cb 0.00 -3.38 0.00 0.00 -0.02 0.00 0.00 31.44 28.04 3gtm n GLU 1404CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3gtm n THR 1405N 7.98 0.00 0.31 2.62 -1.04 -1.26 -4.22 114.28 118.68 3gtm n THR 1405Ca 0.38 0.01 0.16 0.00 -2.04 0.00 0.00 64.05 62.56 3gtm n THR 1405Cb 0.53 -0.90 0.71 0.00 -1.82 0.00 0.00 70.33 68.85 3gtm n THR 1405CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3gtm h VAL 1406N 0.00 0.00 0.00 12.58 2.07 -1.88 -0.32 116.25 128.70 3gtm h VAL 1406Ca 0.00 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 3gtm h VAL 1406Cb 0.00 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3gtm h VAL 1406CO 0.00 0.00 -0.25 -0.33 0.02 0.00 0.00 177.57 177.01 3gtm h GLU 1407N 0.00 0.00 0.09 1.57 5.08 -1.95 -1.58 114.58 117.79 3gtm h GLU 1407Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 3gtm h GLU 1407Cb 0.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3gtm h GLU 1407CO 0.00 0.25 -2.12 -0.89 -1.00 0.00 0.00 179.01 175.25 3gtm n ILE 1408N -3.52 1.71 -0.14 3.13 5.41 -0.23 -3.84 119.36 121.88 3gtm n ILE 1408Ca -0.01 -0.64 -0.04 0.00 1.00 0.00 0.00 62.75 63.06 3gtm n ILE 1408Cb 0.41 -1.63 0.04 0.00 -0.71 0.00 0.00 39.64 37.75 3gtm n ILE 1408CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3gtm h LEU 1409N 0.05 0.13 -0.07 1.39 3.38 -1.28 0.43 115.31 119.35 3gtm h LEU 1409Ca -0.46 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.59 3gtm h LEU 1409Cb 2.00 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.75 3gtm h LEU 1409CO 0.04 0.11 -0.43 -0.26 0.09 0.00 0.00 178.44 177.99 3gtm h PHE 1410N 0.30 -1.27 0.00 1.13 0.05 -1.46 -1.62 116.94 114.06 3gtm h PHE 1410Ca 0.21 0.05 -0.01 0.00 3.82 0.00 0.00 57.97 62.03 3gtm h PHE 1410Cb 0.21 0.57 -0.00 0.00 2.00 0.00 0.00 35.95 38.73 3gtm h PHE 1410CO -0.16 -0.44 -0.06 0.93 -0.18 0.00 0.00 178.31 178.39 3gtm h GLU 1411N -0.49 0.00 0.70 1.51 5.08 -1.56 -1.27 114.58 118.56 3gtm h GLU 1411Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3gtm h GLU 1411Cb 0.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.81 3gtm h GLU 1411CO -0.33 0.06 -0.35 0.00 -1.00 0.00 0.00 179.01 177.40 3gtm h ALA 1412N 1.94 -0.96 0.00 3.43 0.00 0.81 -2.15 119.26 122.33 3gtm h ALA 1412Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3gtm h ALA 1412Cb 0.15 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gtm h ALA 1412CO 0.01 -1.04 -0.05 0.78 0.00 0.00 0.00 179.25 178.94 3gtm h GLY 1413N -0.96 0.00 2.00 0.00 0.00 -1.20 -1.83 103.07 101.08 3gtm h GLY 1413Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 3gtm h GLY 1413CO 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.52 3gtm h ALA 1414N 1.95 1.00 0.00 3.60 0.00 -0.91 -3.06 119.26 121.84 3gtm h ALA 1414Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3gtm h ALA 1414Cb 0.70 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3gtm h ALA 1414CO 0.01 0.22 -0.50 -1.13 0.00 0.00 0.00 179.25 177.84 3gtm n SER 1415N -3.30 1.69 -4.03 0.00 3.41 -0.84 -4.63 113.62 105.92 3gtm n SER 1415Ca 0.01 -3.71 -0.43 0.00 -0.26 0.00 0.00 58.87 54.48 3gtm n SER 1415Cb 0.42 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 63.89 3gtm n SER 1415CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtm n ALA 1416N -1.02 -2.65 -1.89 7.33 0.00 -1.16 -4.75 120.51 116.37 3gtm n ALA 1416Ca 0.18 -0.54 -0.30 0.00 0.00 0.00 0.00 53.44 52.78 3gtm n ALA 1416Cb 0.72 -2.25 0.04 0.00 0.00 0.00 0.00 19.45 17.96 3gtm n ALA 1416CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gtm s GLU 1417N -7.01 3.00 -0.10 0.00 2.02 -0.70 -4.82 118.70 111.10 3gtm s GLU 1417Ca 0.41 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.90 3gtm s GLU 1417Cb -0.22 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 31.99 3gtm s GLU 1417CO 0.96 -0.94 -0.07 -1.17 0.02 0.00 0.00 175.26 174.05 3gtm s LEU 1418N -5.32 1.21 -0.19 1.80 2.96 -1.26 -0.99 118.68 116.88 3gtm s LEU 1418Ca 0.57 -0.27 -0.22 0.00 -0.22 0.00 0.00 54.13 54.00 3gtm s LEU 1418Cb -0.11 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 3gtm s LEU 1418CO 0.52 -0.10 0.68 -0.62 -1.32 0.00 0.00 176.35 175.51 3gtm s ASP 1419N 1.52 6.74 0.21 3.68 -1.08 -0.94 -4.76 116.67 122.04 3gtm s ASP 1419Ca 0.01 0.91 -0.02 0.00 -0.52 0.00 0.00 52.55 52.93 3gtm s ASP 1419Cb -0.13 -2.37 0.18 0.00 -1.46 0.00 0.00 42.92 39.14 3gtm s ASP 1419CO -0.06 -0.31 1.56 -0.78 0.52 0.00 0.00 175.17 176.10 3gtm h ASP 1420N 7.47 0.58 -1.80 -0.34 1.82 -1.91 -3.19 116.42 119.05 3gtm h ASP 1420Ca -0.31 -0.28 -0.16 0.00 -0.39 0.00 0.00 57.03 55.89 3gtm h ASP 1420Cb 1.14 -0.16 0.01 0.00 0.68 0.00 0.00 39.33 41.00 3gtm h ASP 1420CO 0.79 0.96 -0.23 0.00 -1.61 0.00 0.00 179.24 179.15 3gtm n ARG 1422N -1.98 1.61 -2.48 0.00 1.74 -1.26 -4.73 116.66 109.55 3gtm n ARG 1422Ca -0.06 -0.27 -0.36 0.00 -0.77 0.00 0.00 57.85 56.39 3gtm n ARG 1422Cb 0.56 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.68 3gtm n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3gtm s GLY 1423N -2.37 2.70 0.21 -0.13 0.00 -1.26 -4.77 107.32 101.70 3gtm s GLY 1423Ca 0.09 0.73 -0.09 0.00 0.00 0.00 0.00 44.72 45.45 3gtm s GLY 1423CO 0.60 1.15 1.76 -2.08 0.00 0.00 0.00 173.10 174.52 3gtm h VAL 1424N 2.01 0.82 -0.56 1.40 2.07 -1.94 -2.93 116.25 117.11 3gtm h VAL 1424Ca -0.49 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 3gtm h VAL 1424Cb 1.22 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3gtm h VAL 1424CO 0.61 0.09 -0.04 0.28 0.02 0.00 0.00 177.57 178.53 3gtm h SER 1425N 0.48 0.99 0.10 0.57 0.02 -1.93 -2.04 113.55 111.75 3gtm h SER 1425Ca 0.31 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3gtm h SER 1425Cb 0.34 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3gtm h SER 1425CO -0.28 1.07 -0.05 -0.33 -1.14 0.00 0.00 176.83 176.10 3gtm h GLU 1426N 0.92 -0.13 0.00 3.45 4.39 -1.80 0.13 114.58 121.54 3gtm h GLU 1426Ca 0.16 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.81 3gtm h GLU 1426Cb 0.58 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3gtm h GLU 1426CO 0.04 0.05 -0.27 -0.91 -1.16 0.00 0.00 179.01 176.75 3gtm h ASN 1427N -0.29 0.00 -0.16 1.42 2.35 -1.54 0.38 115.58 117.74 3gtm h ASN 1427Ca -0.01 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 3gtm h ASN 1427Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3gtm h ASN 1427CO 0.02 0.27 -0.66 0.58 -1.65 0.00 0.00 177.43 175.99 3gtm h VAL 1428N 0.00 1.29 -0.23 2.81 2.07 -1.04 0.34 116.25 121.49 3gtm h VAL 1428Ca -0.00 -1.87 -0.09 0.00 0.82 0.00 0.00 66.70 65.56 3gtm h VAL 1428Cb 0.62 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3gtm h VAL 1428CO 0.04 0.60 -0.23 0.40 0.02 0.00 0.00 177.57 178.39 3gtm h ILE 1429N 0.57 1.25 -0.12 4.57 2.04 -0.22 -2.46 117.51 123.14 3gtm h ILE 1429Ca -0.02 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3gtm h ILE 1429Cb 1.27 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3gtm h ILE 1429CO 0.14 0.38 0.00 0.18 0.00 0.00 0.00 178.15 178.84 3gtm n LEU 1430N -4.14 1.45 -2.30 1.44 4.77 0.08 -4.93 117.00 113.37 3gtm n LEU 1430Ca -0.00 -0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 55.19 3gtm n LEU 1430Cb 0.38 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3gtm n LEU 1430CO 0.41 0.29 -0.25 0.61 -1.33 0.00 0.00 177.39 177.12 3gtm n GLY 1431N 1.10 -0.18 3.87 -0.72 0.00 -0.41 -4.99 105.19 103.86 3gtm n GLY 1431Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3gtm n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtm s GLN 1432N -4.88 2.45 -0.47 1.61 -0.21 0.11 -5.01 119.66 113.27 3gtm s GLN 1432Ca 0.00 -1.64 -0.28 0.00 0.02 0.00 0.00 55.36 53.46 3gtm s GLN 1432Cb 0.00 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.71 3gtm s GLN 1432CO 0.00 -0.25 1.54 1.41 -2.12 0.00 0.00 175.29 175.86 3gtm s MET 1433N -4.14 3.33 0.04 2.91 1.75 -1.26 -4.44 119.30 117.50 3gtm s MET 1433Ca 0.46 0.83 -0.30 0.00 -1.25 0.00 0.00 55.69 55.42 3gtm s MET 1433Cb -0.02 -4.13 -0.05 0.00 2.84 0.00 0.00 34.83 33.46 3gtm s MET 1433CO 0.27 -1.88 1.23 0.00 -0.65 0.00 0.00 175.02 173.98 3gtm s ALA 1434N 6.34 3.43 -0.84 4.11 0.00 -1.26 -4.89 121.76 128.65 3gtm s ALA 1434Ca 0.62 0.84 -0.21 0.00 0.00 0.00 0.00 51.96 53.21 3gtm s ALA 1434Cb -0.14 -3.47 -0.19 0.00 0.00 0.00 0.00 23.12 19.32 3gtm s ALA 1434CO 0.29 -0.53 1.97 -2.30 0.00 0.00 0.00 175.76 175.20 3gtm n PRO 1435N 4.21 0.15 -3.51 0.00 -0.02 -1.26 -4.52 135.00 130.04 3gtm n PRO 1435Ca 0.10 -1.18 -0.18 0.00 -2.02 0.00 0.00 63.50 60.21 3gtm n PRO 1435Cb 0.46 -3.25 -0.13 0.00 -0.02 0.00 0.00 33.50 30.56 3gtm n PRO 1435CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gtm s ILE 1436N 13.18 -0.32 0.00 4.25 1.01 -1.25 -4.66 121.20 133.41 3gtm s ILE 1436Ca 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.30 3gtm s ILE 1436Cb -0.09 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.74 3gtm s ILE 1436CO 0.16 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.54 3gtm n GLY 1437N 5.32 0.86 0.51 6.18 0.00 -1.07 -1.93 105.19 115.07 3gtm n GLY 1437Ca -0.05 0.63 0.38 0.00 0.00 0.00 0.00 46.02 46.98 3gtm n GLY 1437CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gtm h THR 1438N 0.00 0.18 -0.52 2.61 2.02 -1.93 0.38 112.91 115.66 3gtm h THR 1438Ca 0.00 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 3gtm h THR 1438Cb 0.00 0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 66.43 3gtm h THR 1438CO 0.00 0.02 0.10 0.61 0.37 0.00 0.00 175.52 176.62 3gtm n GLY 1439N -1.62 3.83 1.79 2.16 0.00 -0.81 -4.59 105.19 105.95 3gtm n GLY 1439Ca 0.36 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 3gtm n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtm n ALA 1440N -0.26 4.67 0.00 4.61 0.00 0.12 -3.75 120.51 125.90 3gtm n ALA 1440Ca 0.32 -1.72 0.00 0.00 0.00 0.00 0.00 53.44 52.04 3gtm n ALA 1440Cb 1.16 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3gtm n ALA 1440CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3gtm n PHE 1441N -0.14 0.00 -4.31 0.00 1.16 -1.26 -5.02 117.46 107.90 3gtm n PHE 1441Ca 0.33 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.67 3gtm n PHE 1441Cb 0.89 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.68 3gtm n PHE 1441CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3gtm s ASP 1442N 0.00 4.39 -0.24 5.98 1.01 -1.26 -5.12 116.67 121.42 3gtm s ASP 1442Ca 0.00 -0.66 -0.03 0.00 0.71 0.00 0.00 52.55 52.57 3gtm s ASP 1442Cb 0.00 -0.77 0.08 0.00 1.01 0.00 0.00 42.92 43.24 3gtm s ASP 1442CO 0.00 0.03 0.08 -0.69 0.21 0.00 0.00 175.17 174.80 3gtm s VAL 1443N -2.18 0.42 0.20 -1.27 1.01 -1.26 -5.14 120.40 112.18 3gtm s VAL 1443Ca 0.30 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3gtm s VAL 1443Cb -0.07 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3gtm s VAL 1443CO 0.18 -0.45 0.20 -0.04 0.00 0.00 0.00 175.10 175.00 3gtm s MET 1444N 1.88 3.05 -0.19 2.72 1.00 -1.26 -5.08 119.30 121.41 3gtm s MET 1444Ca 0.04 -0.88 -0.25 0.00 0.00 0.00 0.00 55.69 54.59 3gtm s MET 1444Cb -0.17 -2.69 -0.01 0.00 0.00 0.00 0.00 34.83 31.96 3gtm s MET 1444CO -0.19 0.45 0.85 0.42 0.00 0.00 0.00 175.02 176.56 3gtm s ILE 1445N -1.91 4.85 -0.37 2.53 1.09 -1.26 -5.01 121.20 121.12 3gtm s ILE 1445Ca 0.32 1.66 -0.29 0.00 -1.10 0.00 0.00 60.65 61.24 3gtm s ILE 1445Cb -0.09 -4.15 0.02 0.00 -1.06 0.00 0.00 42.46 37.17 3gtm s ILE 1445CO 0.25 -0.02 1.15 -0.62 -0.10 0.00 0.00 174.94 175.60 3gtm s ASP 1446N 1.21 6.77 0.28 3.58 3.68 -1.26 -4.91 116.67 126.03 3gtm s ASP 1446Ca 0.38 0.89 0.00 0.00 2.13 0.00 0.00 52.55 55.95 3gtm s ASP 1446Cb -0.16 -2.54 0.40 0.00 -1.45 0.00 0.00 42.92 39.17 3gtm s ASP 1446CO 0.10 -1.05 1.78 -0.08 0.13 0.00 0.00 175.17 176.05 3gtm h GLU 1447N 8.75 0.69 -0.58 4.34 4.81 -2.00 -2.93 114.58 127.65 3gtm h GLU 1447Ca -0.22 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 3gtm h GLU 1447Cb 1.07 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3gtm h GLU 1447CO 1.07 0.73 0.00 0.39 -0.73 0.00 0.00 179.01 180.47 3gtm n GLU 1448N -4.21 2.62 0.00 1.92 1.02 -1.26 -3.15 120.64 117.57 3gtm n GLU 1448Ca 0.02 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 3gtm n GLU 1448Cb 0.31 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3gtm n GLU 1448CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3gtm n SER 1449N 0.65 0.73 -0.07 1.62 3.41 -1.17 -4.69 113.62 114.10 3gtm n SER 1449Ca 0.16 -1.17 -0.12 0.00 -0.26 0.00 0.00 58.87 57.48 3gtm n SER 1449Cb 0.57 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.38 3gtm n SER 1449CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3gtm n LEU 1450N -0.09 1.09 0.25 1.04 7.94 -1.12 -4.29 117.00 121.83 3gtm n LEU 1450Ca 0.00 0.14 0.10 0.00 -1.11 0.00 0.00 56.01 55.15 3gtm n LEU 1450Cb 0.19 -0.04 0.64 0.00 0.53 0.00 0.00 43.42 44.75 3gtm n LEU 1450CO 0.00 0.58 0.93 0.58 -1.11 0.00 0.00 177.39 178.37 3gtm h VAL 1451N 0.01 0.72 0.00 1.96 2.07 -1.82 -2.57 116.25 116.62 3gtm h VAL 1451Ca -0.45 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.43 3gtm h VAL 1451Cb 2.09 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3gtm h VAL 1451CO 0.04 0.15 -0.10 0.11 0.02 0.00 0.00 177.57 177.79 3gtm h LYS 1452N 0.00 0.00 -0.93 1.57 1.57 -1.84 -3.37 116.57 113.57 3gtm h LYS 1452Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3gtm h LYS 1452Cb 0.38 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 3gtm h LYS 1452CO 0.02 0.00 0.14 0.66 -0.57 0.00 0.00 179.45 179.70 3gtm n TYR 1453N -3.00 1.02 -4.80 -1.35 0.53 -0.97 -4.80 117.16 103.79 3gtm n TYR 1453Ca 0.04 -0.69 -0.32 0.00 -1.02 0.00 0.00 57.90 55.91 3gtm n TYR 1453Cb 0.53 -0.40 -0.17 0.00 -1.03 0.00 0.00 39.34 38.26 3gtm n TYR 1453CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gtm s MET 1454N -1.45 2.95 0.00 -0.72 0.23 -1.26 -5.12 119.30 113.93 3gtm s MET 1454Ca 0.22 -0.83 0.18 0.00 -1.03 0.00 0.00 55.69 54.22 3gtm s MET 1454Cb 0.17 -2.35 1.06 0.00 -1.53 0.00 0.00 34.83 32.19 3gtm s MET 1454CO 0.05 0.03 1.46 -0.35 -2.03 0.00 0.00 175.02 174.19