#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k83 s TYR 6 N 0.00 -0.22 -0.06 3.69 5.04 -1.26 -5.15 117.35 119.39 1k83 s TYR 6 Ca 0.00 0.54 -0.00 0.00 -2.44 0.00 0.00 57.07 55.16 1k83 s TYR 6 Cb 0.00 0.07 0.03 0.00 0.35 0.00 0.00 41.96 42.40 1k83 s TYR 6 CO 0.00 -0.11 -0.02 -1.54 -1.34 0.00 0.00 175.55 172.54 1k83 s SER 7 N 0.19 1.36 0.21 4.32 1.04 -1.26 -4.99 113.70 114.57 1k83 s SER 7 Ca -0.01 -0.10 0.10 0.00 0.48 0.00 0.00 55.95 56.42 1k83 s SER 7 Cb -0.02 -0.45 0.53 0.00 0.10 0.00 0.00 66.02 66.18 1k83 s SER 7 CO -0.00 -0.14 1.20 -1.54 0.98 0.00 0.00 173.24 173.73 1k83 n SER 8 N 4.76 0.25 -4.67 7.02 3.41 -1.26 -4.61 113.62 118.52 1k83 n SER 8 Ca -0.14 0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 58.56 1k83 n SER 8 Cb 0.50 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1k83 n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k83 n ALA 9 N -1.52 1.63 -1.77 7.33 0.00 -1.26 -4.92 120.51 119.99 1k83 n ALA 9 Ca -0.01 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 1k83 n ALA 9 Cb 0.21 -2.63 -0.01 0.00 0.00 0.00 0.00 19.45 17.02 1k83 n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1k83 s PRO 10 N 3.87 4.13 0.15 0.00 0.04 -1.26 -4.97 135.00 136.95 1k83 s PRO 10 Ca 0.88 2.55 -0.29 0.00 0.04 0.00 0.00 61.00 64.17 1k83 s PRO 10 Cb -0.49 -3.02 -0.07 0.00 0.04 0.00 0.00 34.50 30.96 1k83 s PRO 10 CO 0.42 -0.59 0.93 -1.17 0.04 0.00 0.00 177.00 176.63 1k83 s LEU 11 N -0.88 4.55 0.29 -3.56 2.96 -1.26 -5.05 118.68 115.74 1k83 s LEU 11 Ca 0.60 1.80 -0.12 0.00 -0.22 0.00 0.00 54.13 56.20 1k83 s LEU 11 Cb -0.47 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 42.68 1k83 s LEU 11 CO 0.51 0.03 0.55 -0.13 -1.32 0.00 0.00 176.35 175.98 1k83 s ARG 12 N -0.44 1.75 -0.03 1.98 0.52 -1.26 -5.17 118.95 116.30 1k83 s ARG 12 Ca 0.44 -1.37 0.05 0.00 -0.52 0.00 0.00 55.73 54.33 1k83 s ARG 12 Cb -0.24 0.50 -0.03 0.00 0.52 0.00 0.00 34.95 35.71 1k83 s ARG 12 CO 0.30 -0.75 -0.18 0.95 0.02 0.00 0.00 175.30 175.64 1k83 s THR 13 N -3.54 2.77 0.16 0.02 -4.23 -1.26 -5.09 115.64 104.47 1k83 s THR 13 Ca 0.22 -0.88 -0.32 0.00 -1.18 0.00 0.00 61.69 59.54 1k83 s THR 13 Cb -0.02 -2.07 -0.10 0.00 1.34 0.00 0.00 72.50 71.65 1k83 s THR 13 CO 0.12 0.56 1.62 -0.69 -0.54 0.00 0.00 174.62 175.68 1k83 s VAL 14 N -0.72 2.53 -0.12 2.29 1.01 -1.26 -4.87 120.40 119.26 1k83 s VAL 14 Ca 0.11 0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.54 1k83 s VAL 14 Cb -0.10 -3.22 -0.14 0.00 0.00 0.00 0.00 36.38 32.91 1k83 s VAL 14 CO 0.01 0.02 0.04 0.29 0.00 0.00 0.00 175.10 175.46 1k83 n LYS 15 N 4.18 2.04 -4.04 2.72 4.76 -1.26 -5.03 118.16 121.53 1k83 n LYS 15 Ca 0.15 -0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.51 1k83 n LYS 15 Cb 0.38 -1.30 -0.09 0.00 -1.84 0.00 0.00 35.03 32.18 1k83 n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1k83 s GLU 16 N -2.28 0.70 -0.17 1.97 2.02 -1.26 -4.04 118.70 115.64 1k83 s GLU 16 Ca -0.06 -1.18 -0.04 0.00 0.02 0.00 0.00 54.97 53.71 1k83 s GLU 16 Cb 0.04 0.25 0.06 0.00 0.10 0.00 0.00 34.13 34.57 1k83 s GLU 16 CO 0.48 -0.17 0.07 0.08 0.02 0.00 0.00 175.26 175.74 1k83 s VAL 17 N -3.92 0.14 -0.51 2.63 1.01 -0.27 -4.98 120.40 114.50 1k83 s VAL 17 Ca 0.08 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 1k83 s VAL 17 Cb 0.07 -0.70 0.05 0.00 0.00 0.00 0.00 36.38 35.80 1k83 s VAL 17 CO -0.09 -0.20 0.74 -1.58 0.00 0.00 0.00 175.10 173.97 1k83 s GLN 18 N 2.04 3.22 0.59 2.72 2.00 -1.26 -0.51 119.66 128.46 1k83 s GLN 18 Ca 0.01 -0.58 -0.14 0.00 -2.00 0.00 0.00 55.36 52.66 1k83 s GLN 18 Cb -0.16 -4.06 -0.05 0.00 0.80 0.00 0.00 33.01 29.55 1k83 s GLN 18 CO -0.08 -1.29 1.02 -0.06 -0.50 0.00 0.00 175.29 174.39 1k83 s PHE 19 N 3.14 3.38 -0.08 1.67 0.40 0.86 -4.99 117.98 122.36 1k83 s PHE 19 Ca 0.22 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 1k83 s PHE 19 Cb -0.16 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.55 1k83 s PHE 19 CO 0.16 -0.72 0.00 0.41 0.70 0.00 0.00 175.22 175.76 1k83 n GLY 20 N -1.91 -1.18 3.57 4.36 0.00 -1.25 -3.82 105.19 104.97 1k83 n GLY 20 Ca 0.07 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 1k83 n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k83 s LEU 21 N 0.00 3.09 -0.55 0.99 1.43 0.20 -4.65 118.68 119.18 1k83 s LEU 21 Ca 0.00 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.69 1k83 s LEU 21 Cb 0.00 -1.73 0.03 0.00 0.03 0.00 0.00 46.19 44.52 1k83 s LEU 21 CO 0.00 0.31 1.12 -0.36 0.23 0.00 0.00 176.35 177.65 1k83 s PHE 22 N -0.91 2.69 0.75 0.29 2.99 -1.26 -4.67 117.98 117.86 1k83 s PHE 22 Ca 0.15 0.39 -0.12 0.00 0.00 0.00 0.00 56.93 57.35 1k83 s PHE 22 Cb -0.11 -4.40 0.05 0.00 0.00 0.00 0.00 43.02 38.56 1k83 s PHE 22 CO 0.05 -1.47 1.11 -1.54 -0.00 0.00 0.00 175.22 173.37 1k83 s SER 23 N 2.82 4.51 0.42 1.36 1.04 -1.26 -4.86 113.70 117.73 1k83 s SER 23 Ca 0.41 1.94 0.10 0.00 0.48 0.00 0.00 55.95 58.89 1k83 s SER 23 Cb -0.08 -2.54 0.90 0.00 0.10 0.00 0.00 66.02 64.40 1k83 s SER 23 CO 0.25 -2.03 2.01 1.55 0.98 0.00 0.00 173.24 176.00 1k83 h PRO 24 N -0.80 0.28 0.79 4.02 0.13 -1.93 -2.40 132.00 132.10 1k83 h PRO 24 Ca -0.45 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1k83 h PRO 24 Cb 1.24 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1k83 h PRO 24 CO 0.51 0.30 -0.38 0.93 -0.23 0.00 0.00 178.00 179.13 1k83 h GLU 25 N 0.28 -1.03 -0.56 0.86 3.07 -1.97 -2.86 114.58 112.38 1k83 h GLU 25 Ca 0.07 0.07 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1k83 h GLU 25 Cb 0.17 0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1k83 h GLU 25 CO 0.00 -0.67 0.37 1.49 -1.40 0.00 0.00 179.01 178.80 1k83 h GLU 26 N -1.11 0.64 -0.01 2.33 4.81 -1.91 0.24 114.58 119.57 1k83 h GLU 26 Ca -0.11 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1k83 h GLU 26 Cb 0.82 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1k83 h GLU 26 CO 0.18 0.42 0.01 0.28 -0.73 0.00 0.00 179.01 179.17 1k83 h VAL 27 N 0.66 0.61 0.00 0.32 2.07 -1.31 -1.70 116.25 116.90 1k83 h VAL 27 Ca 0.23 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.59 1k83 h VAL 27 Cb 0.08 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1k83 h VAL 27 CO -0.06 0.00 -0.91 0.03 0.02 0.00 0.00 177.57 176.65 1k83 h ARG 28 N 0.00 0.00 -0.84 1.57 3.08 -0.53 -3.21 114.38 114.45 1k83 h ARG 28 Ca 0.00 0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.30 1k83 h ARG 28 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1k83 h ARG 28 CO -0.00 0.84 0.84 0.00 -1.07 0.00 0.00 179.97 180.58 1k83 h ALA 29 N -0.49 2.67 0.00 0.04 0.00 -0.18 -2.26 119.26 119.04 1k83 h ALA 29 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1k83 h ALA 29 Cb 1.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1k83 h ALA 29 CO -0.14 -1.27 -1.28 0.44 0.00 0.00 0.00 179.25 177.00 1k83 n ILE 30 N -3.62 0.00 -0.36 0.00 -5.35 -0.68 -5.04 119.36 104.31 1k83 n ILE 30 Ca 0.18 -0.22 -0.25 0.00 -0.27 0.00 0.00 62.75 62.18 1k83 n ILE 30 Cb 1.12 0.39 0.24 0.00 -1.74 0.00 0.00 39.64 39.65 1k83 n ILE 30 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1k83 n SER 31 N -1.73 -3.41 0.00 7.28 3.41 -0.85 -4.79 113.62 113.52 1k83 n SER 31 Ca -0.01 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1k83 n SER 31 Cb 0.23 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1k83 n SER 31 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1k83 n VAL 32 N -5.17 0.00 -4.13 -3.33 0.24 -0.56 -4.98 118.33 100.39 1k83 n VAL 32 Ca 0.12 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.17 1k83 n VAL 32 Cb 0.50 -0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 32.02 1k83 n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k83 s ALA 33 N -1.85 3.47 -0.52 2.33 0.00 -1.26 -4.85 121.76 119.08 1k83 s ALA 33 Ca 0.00 -1.34 0.23 0.00 0.00 0.00 0.00 51.96 50.85 1k83 s ALA 33 Cb 0.00 -1.22 0.01 0.00 0.00 0.00 0.00 23.12 21.91 1k83 s ALA 33 CO 0.00 0.41 0.99 1.17 0.00 0.00 0.00 175.76 178.32 1k83 n LYS 34 N -0.59 0.35 -2.91 0.00 4.81 -1.26 -1.32 118.16 117.24 1k83 n LYS 34 Ca -0.08 -0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.33 1k83 n LYS 34 Cb 0.56 -1.62 -0.02 0.00 0.02 0.00 0.00 35.03 33.98 1k83 n LYS 34 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1k83 n ILE 35 N -2.07 -5.74 0.00 3.15 5.41 -1.23 -3.77 119.36 115.11 1k83 n ILE 35 Ca 0.01 1.10 0.00 0.00 1.00 0.00 0.00 62.75 64.86 1k83 n ILE 35 Cb 0.46 -4.15 0.00 0.00 -0.71 0.00 0.00 39.64 35.24 1k83 n ILE 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1k83 n ARG 36 N 2.09 0.00 -0.98 0.38 1.74 -1.23 -4.72 116.66 113.93 1k83 n ARG 36 Ca -0.15 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.47 1k83 n ARG 36 Cb 0.27 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.62 1k83 n ARG 36 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1k83 n PHE 37 N 0.00 0.92 0.59 -1.55 0.99 -1.26 -4.74 117.46 112.41 1k83 n PHE 37 Ca 0.00 0.61 0.00 0.00 -0.00 0.00 0.00 57.45 58.06 1k83 n PHE 37 Cb 0.00 -1.71 0.00 0.00 -1.00 0.00 0.00 39.48 36.77 1k83 n PHE 37 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1k83 n PRO 38 N 5.32 0.59 0.00 -1.08 -0.04 -1.26 -3.98 135.00 134.54 1k83 n PRO 38 Ca 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1k83 n PRO 38 Cb -0.03 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1k83 n PRO 38 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1k83 n GLU 39 N 0.20 0.00 -2.73 0.54 1.02 -1.26 -4.75 120.64 113.65 1k83 n GLU 39 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1k83 n GLU 39 Cb 0.14 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.50 1k83 n GLU 39 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1k83 s LYS 49 N 3.22 4.59 0.15 3.49 1.02 -1.26 -3.97 119.74 126.98 1k83 s LYS 49 Ca 0.00 1.40 0.11 0.00 0.02 0.00 0.00 55.97 57.50 1k83 s LYS 49 Cb 0.00 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 1k83 s LYS 49 CO 0.00 0.27 -0.25 0.42 -0.92 0.00 0.00 175.35 174.87 1k83 s ILE 50 N -1.53 2.25 -2.00 2.17 1.01 -1.25 -4.99 121.20 116.85 1k83 s ILE 50 Ca 0.49 -1.85 0.07 0.00 0.00 0.00 0.00 60.65 59.35 1k83 s ILE 50 Cb -0.21 -2.02 0.19 0.00 0.01 0.00 0.00 42.46 40.43 1k83 s ILE 50 CO 0.26 -0.01 0.80 0.61 0.00 0.00 0.00 174.94 176.61 1k83 n GLY 51 N 0.66 -0.34 0.11 6.18 0.00 -1.26 -2.87 105.19 107.67 1k83 n GLY 51 Ca -0.16 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1k83 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k83 n GLY 52 N -0.26 -0.81 3.06 -0.02 0.00 -1.26 -4.40 105.19 101.49 1k83 n GLY 52 Ca 0.05 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 1k83 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k83 s LEU 53 N -7.79 2.04 -1.84 0.99 1.43 -1.14 -3.56 118.68 108.82 1k83 s LEU 53 Ca -0.29 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1k83 s LEU 53 Cb 0.06 0.36 0.00 0.00 0.03 0.00 0.00 46.19 46.64 1k83 s LEU 53 CO 0.60 -0.42 0.00 0.59 0.23 0.00 0.00 176.35 177.35 1k83 n ASN 54 N 1.09 -5.46 0.00 2.29 4.13 -1.26 -3.97 115.26 112.07 1k83 n ASN 54 Ca -0.21 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1k83 n ASN 54 Cb 0.57 -4.57 0.00 0.00 -1.54 0.00 0.00 39.78 34.24 1k83 n ASN 54 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1k83 n ASP 55 N -1.44 0.00 0.00 6.41 2.03 -1.26 -4.86 116.55 117.43 1k83 n ASP 55 Ca -0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1k83 n ASP 55 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 1k83 n ASP 55 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1k83 n PRO 56 N -0.39 0.00 0.00 -0.67 -0.04 -1.26 -3.66 135.00 128.99 1k83 n PRO 56 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1k83 n PRO 56 Cb 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1k83 n PRO 56 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1k83 n ARG 57 N -0.29 0.00 -0.83 0.54 1.74 -1.26 -4.53 116.66 112.04 1k83 n ARG 57 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1k83 n ARG 57 Cb 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.53 1k83 n ARG 57 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1k83 n LEU 58 N 0.00 -2.59 -4.41 0.55 4.77 -1.24 -4.31 117.00 109.77 1k83 n LEU 58 Ca 0.00 -0.08 -0.41 0.00 -0.03 0.00 0.00 56.01 55.49 1k83 n LEU 58 Cb 0.00 -0.68 0.01 0.00 -2.33 0.00 0.00 43.42 40.42 1k83 n LEU 58 CO 0.00 -2.73 -0.07 0.61 -1.33 0.00 0.00 177.39 173.86 1k83 n GLY 59 N 2.85 -1.83 3.94 -0.72 0.00 -1.26 -4.62 105.19 103.55 1k83 n GLY 59 Ca -0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1k83 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k83 s SER 60 N -1.01 4.86 0.17 1.61 1.04 -1.26 -4.59 113.70 114.53 1k83 s SER 60 Ca 0.63 -1.03 0.03 0.00 0.48 0.00 0.00 55.95 56.05 1k83 s SER 60 Cb -0.56 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 65.76 1k83 s SER 60 CO 0.59 -1.11 0.10 -0.38 0.98 0.00 0.00 173.24 173.42 1k83 n ILE 61 N -1.89 0.00 -1.54 -1.02 5.41 -1.26 -4.78 119.36 114.28 1k83 n ILE 61 Ca 0.05 -1.11 -0.08 0.00 1.00 0.00 0.00 62.75 62.61 1k83 n ILE 61 Cb 0.63 0.47 -0.02 0.00 -0.71 0.00 0.00 39.64 40.01 1k83 n ILE 61 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1k83 n ASP 62 N -2.09 -3.56 -1.11 4.38 8.00 -1.26 -2.81 116.55 118.10 1k83 n ASP 62 Ca 0.00 0.12 -0.15 0.00 0.71 0.00 0.00 54.79 55.48 1k83 n ASP 62 Cb 0.28 -2.12 -0.06 0.00 -0.02 0.00 0.00 41.12 39.20 1k83 n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1k83 n ARG 63 N -2.43 -1.54 -2.85 -1.24 1.74 -1.26 -4.92 116.66 104.16 1k83 n ARG 63 Ca -0.08 1.01 -0.42 0.00 -0.77 0.00 0.00 57.85 57.59 1k83 n ARG 63 Cb 0.36 -5.38 -0.04 0.00 -1.02 0.00 0.00 32.46 26.38 1k83 n ARG 63 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1k83 s ASN 64 N -2.57 7.00 0.32 0.55 0.01 -1.12 -4.93 114.94 114.20 1k83 s ASN 64 Ca 0.00 1.23 0.02 0.00 -0.71 0.00 0.00 52.86 53.40 1k83 s ASN 64 Cb 0.00 -2.47 0.54 0.00 0.41 0.00 0.00 41.25 39.73 1k83 s ASN 64 CO 0.00 -0.42 1.91 -0.07 -1.51 0.00 0.00 177.10 177.01 1k83 h LEU 65 N 8.34 0.68 -9.27 0.60 3.38 -1.89 -3.44 115.31 113.71 1k83 h LEU 65 Ca -0.29 -0.08 -0.67 0.00 0.09 0.00 0.00 57.88 56.92 1k83 h LEU 65 Cb 1.13 -0.17 0.04 0.00 0.09 0.00 0.00 40.66 41.74 1k83 h LEU 65 CO 0.85 0.62 0.73 0.29 0.09 0.00 0.00 178.44 181.02 1k83 n LYS 66 N -4.34 1.45 -2.52 1.13 5.02 -1.26 -3.54 118.16 114.10 1k83 n LYS 66 Ca 0.04 0.53 -0.04 0.00 -2.02 0.00 0.00 58.31 56.82 1k83 n LYS 66 Cb 0.16 -2.23 0.01 0.00 -0.02 0.00 0.00 35.03 32.96 1k83 n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k83 n GLN 68 N -0.52 0.00 0.00 0.00 6.02 -1.26 -3.77 117.38 117.85 1k83 n GLN 68 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1k83 n GLN 68 Cb 0.67 -2.10 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1k83 n GLN 68 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1k83 n THR 69 N -1.68 0.00 1.62 5.09 -1.04 -1.26 -4.65 114.28 112.36 1k83 n THR 69 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1k83 n THR 69 Cb 0.42 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.96 1k83 n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k83 n GLN 71 N -0.52 0.00 0.00 0.00 6.02 -1.23 -4.83 117.38 116.81 1k83 n GLN 71 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1k83 n GLN 71 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1k83 n GLN 71 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1k83 n GLU 72 N 2.58 0.00 -3.84 -1.09 1.02 -1.24 -4.58 120.64 113.50 1k83 n GLU 72 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1k83 n GLU 72 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 1k83 n GLU 72 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1k83 s GLY 73 N -0.03 -0.08 0.00 0.62 0.00 -1.26 -4.18 107.32 102.39 1k83 s GLY 73 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1k83 s GLY 73 CO 0.00 2.27 0.03 1.03 0.00 0.00 0.00 173.10 176.42 1k83 n MET 74 N -0.67 0.04 0.00 2.90 2.81 -1.26 -1.45 117.12 119.49 1k83 n MET 74 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1k83 n MET 74 Cb 0.60 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 32.09 1k83 n MET 74 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1k83 n ASN 75 N 0.30 0.00 0.00 7.83 3.02 -1.26 -4.84 115.26 120.32 1k83 n ASN 75 Ca 0.00 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1k83 n ASN 75 Cb 0.01 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1k83 n ASN 75 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1k83 n GLU 76 N 0.00 1.20 -2.54 3.52 4.71 -0.64 -5.00 120.64 121.88 1k83 n GLU 76 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 1k83 n GLU 76 Cb 0.15 -0.97 -0.02 0.00 -1.01 0.00 0.00 31.44 29.59 1k83 n GLU 76 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1k83 s PRO 78 N 4.08 3.19 0.00 0.00 0.04 -1.26 -4.93 135.00 136.12 1k83 s PRO 78 Ca 0.50 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.43 1k83 s PRO 78 Cb -0.12 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1k83 s PRO 78 CO 0.23 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1k83 n GLY 79 N 5.35 0.00 3.92 0.56 0.00 -1.26 -4.92 105.19 108.84 1k83 n GLY 79 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1k83 n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k83 s HIS 80 N 0.00 3.49 0.12 1.61 3.76 -1.26 -4.82 115.29 118.19 1k83 s HIS 80 Ca 0.00 0.38 -0.18 0.00 -0.15 0.00 0.00 55.06 55.11 1k83 s HIS 80 Cb 0.00 -1.88 -0.07 0.00 1.11 0.00 0.00 32.58 31.74 1k83 s HIS 80 CO 0.00 0.43 0.60 -0.06 -0.85 0.00 0.00 174.74 174.86 1k83 s PHE 81 N -1.74 3.73 0.42 1.40 0.40 -1.26 -3.42 117.98 117.50 1k83 s PHE 81 Ca 0.39 1.25 -0.01 0.00 -0.60 0.00 0.00 56.93 57.96 1k83 s PHE 81 Cb -0.12 -2.49 -0.02 0.00 0.51 0.00 0.00 43.02 40.90 1k83 s PHE 81 CO 0.27 0.50 0.64 0.20 0.70 0.00 0.00 175.22 177.54 1k83 s GLY 82 N -1.38 1.47 0.24 4.36 0.00 0.18 -1.50 107.32 110.69 1k83 s GLY 82 Ca 0.34 -0.91 0.11 0.00 0.00 0.00 0.00 44.72 44.26 1k83 s GLY 82 CO 0.20 -0.78 -0.18 -1.58 0.00 0.00 0.00 173.10 170.75 1k83 s HIS 83 N -2.50 2.37 -0.30 1.90 2.46 -0.44 -1.34 115.29 117.44 1k83 s HIS 83 Ca 0.45 -0.32 -0.15 0.00 0.47 0.00 0.00 55.06 55.51 1k83 s HIS 83 Cb -0.10 -1.08 0.17 0.00 -0.13 0.00 0.00 32.58 31.44 1k83 s HIS 83 CO 0.38 0.62 1.13 -1.50 -2.47 0.00 0.00 174.74 172.91 1k83 s ILE 84 N -2.17 -0.20 0.08 0.89 2.07 -1.22 -3.53 121.20 117.12 1k83 s ILE 84 Ca 0.27 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.21 1k83 s ILE 84 Cb -0.06 -0.93 -0.05 0.00 0.13 0.00 0.00 42.46 41.55 1k83 s ILE 84 CO 0.14 0.00 1.03 -1.81 -1.91 0.00 0.00 174.94 172.39 1k83 s ASP 85 N 2.97 7.36 -0.17 4.50 1.01 -1.26 -2.47 116.67 128.61 1k83 s ASP 85 Ca -0.02 1.84 -0.17 0.00 0.71 0.00 0.00 52.55 54.91 1k83 s ASP 85 Cb -0.09 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 1k83 s ASP 85 CO -0.10 -0.21 0.42 -0.76 0.21 0.00 0.00 175.17 174.72 1k83 s LEU 86 N 0.38 4.21 0.26 1.23 1.43 -0.88 -4.97 118.68 120.35 1k83 s LEU 86 Ca 0.51 0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 54.22 1k83 s LEU 86 Cb -0.25 -2.57 0.57 0.00 0.03 0.00 0.00 46.19 43.97 1k83 s LEU 86 CO 0.30 -0.03 1.66 0.00 0.23 0.00 0.00 176.35 178.52 1k83 h ALA 87 N 7.03 1.08 -2.21 4.21 0.00 -1.89 -3.41 119.26 124.06 1k83 h ALA 87 Ca -0.38 0.20 -0.43 0.00 0.00 0.00 0.00 54.91 54.30 1k83 h ALA 87 Cb 1.17 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 19.10 1k83 h ALA 87 CO 0.74 -0.40 -0.72 0.15 0.00 0.00 0.00 179.25 179.02 1k83 s LYS 88 N -6.01 1.29 0.45 0.00 -0.14 -1.26 -5.06 119.74 109.01 1k83 s LYS 88 Ca -0.13 -1.58 -0.21 0.00 -1.36 0.00 0.00 55.97 52.69 1k83 s LYS 88 Cb 0.23 -1.01 -0.09 0.00 -1.68 0.00 0.00 37.83 35.28 1k83 s LYS 88 CO 0.76 0.14 1.01 -1.25 -0.76 0.00 0.00 175.35 175.26 1k83 s PRO 89 N -3.68 4.02 0.04 -1.68 0.04 -1.26 -4.88 135.00 127.60 1k83 s PRO 89 Ca 0.22 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.60 1k83 s PRO 89 Cb 0.00 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1k83 s PRO 89 CO 0.06 -0.23 -0.09 0.08 0.04 0.00 0.00 177.00 176.86 1k83 s VAL 90 N -1.97 0.65 0.46 -0.36 1.01 -0.44 -4.80 120.40 114.94 1k83 s VAL 90 Ca 0.63 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 1k83 s VAL 90 Cb -0.15 -0.68 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 1k83 s VAL 90 CO 0.19 -0.28 1.19 -0.36 0.00 0.00 0.00 175.10 175.85 1k83 s PHE 91 N -1.19 2.85 -0.27 5.22 0.08 -1.26 -0.52 117.98 122.88 1k83 s PHE 91 Ca -0.07 1.52 -0.20 0.00 0.12 0.00 0.00 56.93 58.30 1k83 s PHE 91 Cb -0.09 -3.44 -0.02 0.00 -0.57 0.00 0.00 43.02 38.91 1k83 s PHE 91 CO 0.01 -1.64 0.62 -1.58 -0.10 0.00 0.00 175.22 172.53 1k83 s HIS 92 N -1.49 3.25 0.22 0.36 5.65 -1.14 -4.75 115.29 117.39 1k83 s HIS 92 Ca 0.63 0.72 0.02 0.00 0.25 0.00 0.00 55.06 56.67 1k83 s HIS 92 Cb -0.30 -2.89 0.54 0.00 -1.18 0.00 0.00 32.58 28.74 1k83 s HIS 92 CO 0.37 -0.38 1.08 1.33 -0.65 0.00 0.00 174.74 176.49 1k83 n VAL 93 N 5.27 -0.29 0.28 0.89 0.24 -1.26 -0.56 118.33 122.91 1k83 n VAL 93 Ca -0.01 1.52 0.17 0.00 -2.04 0.00 0.00 64.34 63.97 1k83 n VAL 93 Cb 0.49 -2.22 0.80 0.00 -1.47 0.00 0.00 33.84 31.44 1k83 n VAL 93 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1k83 h GLY 94 N 0.00 0.00 -1.03 7.63 0.00 -1.95 -3.23 103.07 104.49 1k83 h GLY 94 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1k83 h GLY 94 CO -0.65 0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.58 1k83 n PHE 95 N -3.27 0.32 -0.24 5.60 3.01 0.28 -4.64 117.46 118.51 1k83 n PHE 95 Ca -0.01 -0.40 0.03 0.00 1.01 0.00 0.00 57.45 58.08 1k83 n PHE 95 Cb 0.24 -0.02 0.15 0.00 -0.01 0.00 0.00 39.48 39.84 1k83 n PHE 95 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1k83 h ILE 96 N 1.77 0.74 -0.79 4.37 2.04 -1.57 1.46 117.51 125.53 1k83 h ILE 96 Ca 0.00 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1k83 h ILE 96 Cb 0.64 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1k83 h ILE 96 CO 0.00 0.09 0.48 0.00 0.00 0.00 0.00 178.15 178.71 1k83 h ALA 97 N 1.48 1.00 0.22 1.87 0.00 -1.85 -0.47 119.26 121.51 1k83 h ALA 97 Ca 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1k83 h ALA 97 Cb 0.48 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1k83 h ALA 97 CO -0.34 0.47 -0.10 0.87 0.00 0.00 0.00 179.25 180.14 1k83 h LYS 98 N 1.08 -0.28 -0.92 0.00 1.79 -1.03 -2.64 116.57 114.56 1k83 h LYS 98 Ca 0.28 0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.94 1k83 h LYS 98 Cb -0.04 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 30.59 1k83 h LYS 98 CO -0.05 0.01 0.59 0.82 -1.08 0.00 0.00 179.45 179.74 1k83 h ILE 99 N -0.57 0.77 0.07 1.86 2.04 0.20 -1.15 117.51 120.73 1k83 h ILE 99 Ca -0.03 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1k83 h ILE 99 Cb 0.42 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1k83 h ILE 99 CO 0.05 0.11 -0.03 0.50 0.00 0.00 0.00 178.15 178.78 1k83 h LYS 100 N 0.63 -0.09 -0.85 2.37 3.64 -0.99 -2.83 116.57 118.44 1k83 h LYS 100 Ca 0.48 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1k83 h LYS 100 Cb 0.88 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 1k83 h LYS 100 CO -0.23 0.21 0.52 0.87 -2.27 0.00 0.00 179.45 178.56 1k83 h LYS 101 N -0.39 1.15 -0.42 1.90 1.57 -0.94 -1.94 116.57 117.50 1k83 h LYS 101 Ca -0.01 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1k83 h LYS 101 Cb 0.34 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1k83 h LYS 101 CO 0.02 0.80 0.26 0.28 -0.57 0.00 0.00 179.45 180.24 1k83 h VAL 102 N 1.18 1.13 -0.35 0.50 2.07 -1.27 -1.82 116.25 117.67 1k83 h VAL 102 Ca 0.31 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1k83 h VAL 102 Cb -0.06 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1k83 h VAL 102 CO -0.06 0.13 0.24 0.00 0.02 0.00 0.00 177.57 177.90 1k83 n GLU 104 N -4.47 1.21 -0.06 0.00 1.02 -0.71 -3.87 120.64 113.76 1k83 n GLU 104 Ca 0.05 -0.30 -0.08 0.00 -0.02 0.00 0.00 57.16 56.81 1k83 n GLU 104 Cb 0.31 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.20 1k83 n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k83 s VAL 106 N -2.23 5.08 0.29 0.00 0.11 -0.43 -0.07 120.40 123.14 1k83 s VAL 106 Ca -0.15 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.56 1k83 s VAL 106 Cb 0.04 -3.72 -0.10 0.00 -1.53 0.00 0.00 36.38 31.07 1k83 s VAL 106 CO 0.26 -0.25 1.14 0.00 -3.33 0.00 0.00 175.10 172.93 1k83 n MET 108 N 1.15 1.36 0.01 0.00 2.81 -1.26 -2.38 117.12 118.82 1k83 n MET 108 Ca -0.01 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.36 1k83 n MET 108 Cb 0.44 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1k83 n MET 108 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1k83 n HIS 109 N 0.18 -0.16 0.42 2.03 -0.00 -1.26 -4.92 115.22 111.51 1k83 n HIS 109 Ca 0.08 0.03 0.04 0.00 0.46 0.00 0.00 57.72 58.34 1k83 n HIS 109 Cb 0.60 0.30 -0.03 0.00 -0.12 0.00 0.00 29.99 30.74 1k83 n HIS 109 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1k83 n GLY 111 N 1.08 0.42 3.50 0.00 0.00 -1.00 -4.76 105.19 104.43 1k83 n GLY 111 Ca 0.03 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1k83 n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k83 s LYS 112 N -4.87 3.15 0.17 1.61 2.20 -1.26 -4.07 119.74 116.66 1k83 s LYS 112 Ca 0.08 -0.58 -0.33 0.00 -0.36 0.00 0.00 55.97 54.78 1k83 s LYS 112 Cb -0.04 -2.68 -0.16 0.00 -1.51 0.00 0.00 37.83 33.45 1k83 s LYS 112 CO 0.10 0.44 1.20 1.28 -0.36 0.00 0.00 175.35 178.01 1k83 n LEU 113 N 2.90 1.63 0.22 5.43 4.77 -1.26 -1.18 117.00 129.52 1k83 n LEU 113 Ca -0.18 1.14 0.16 0.00 -0.03 0.00 0.00 56.01 57.10 1k83 n LEU 113 Cb 0.53 -1.22 0.71 0.00 -2.33 0.00 0.00 43.42 41.11 1k83 n LEU 113 CO 0.29 -1.23 0.96 -0.07 -1.33 0.00 0.00 177.39 176.02 1k83 h LEU 114 N 3.56 0.00 -7.62 2.23 3.38 -0.80 -3.42 115.31 112.64 1k83 h LEU 114 Ca -0.44 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.20 1k83 h LEU 114 Cb 1.34 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.75 1k83 h LEU 114 CO 0.71 0.00 -0.75 -0.76 0.09 0.00 0.00 178.44 177.74 1k83 s LEU 115 N -5.32 1.24 0.00 1.67 1.43 -1.26 -4.74 118.68 111.69 1k83 s LEU 115 Ca 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1k83 s LEU 115 Cb 0.09 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.10 1k83 s LEU 115 CO 0.40 -0.09 0.00 0.47 0.23 0.00 0.00 176.35 177.36 1k83 n ASP 116 N 4.04 0.03 -0.11 2.29 8.00 -1.26 -4.96 116.55 124.58 1k83 n ASP 116 Ca -0.26 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.39 1k83 n ASP 116 Cb 0.51 0.00 0.83 0.00 -0.02 0.00 0.00 41.12 42.44 1k83 n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k83 n GLU 117 N 0.00 1.08 0.12 -1.24 1.02 -1.26 -3.16 120.64 117.20 1k83 n GLU 117 Ca 0.00 -0.21 0.13 0.00 -0.02 0.00 0.00 57.16 57.06 1k83 n GLU 117 Cb 0.00 -1.50 0.37 0.00 -0.02 0.00 0.00 31.44 30.30 1k83 n GLU 117 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1k83 h HIS 118 N 0.52 0.00 -3.35 -0.32 3.86 -1.97 -3.44 115.15 110.46 1k83 h HIS 118 Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 1k83 h HIS 118 Cb 0.15 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.47 1k83 h HIS 118 CO 0.00 0.00 -0.53 1.21 0.86 0.00 0.00 177.93 179.47 1k83 s ASN 119 N -4.75 5.89 0.19 2.45 3.84 -1.19 -4.94 114.94 116.43 1k83 s ASN 119 Ca 0.10 0.12 -0.09 0.00 0.21 0.00 0.00 52.86 53.20 1k83 s ASN 119 Cb 0.11 -2.03 0.09 0.00 -0.55 0.00 0.00 41.25 38.88 1k83 s ASN 119 CO 0.61 0.15 1.69 -0.08 -2.79 0.00 0.00 177.10 176.67 1k83 h GLU 120 N 6.89 1.08 0.00 0.43 4.81 -1.90 -1.95 114.58 123.95 1k83 h GLU 120 Ca -0.38 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.53 1k83 h GLU 120 Cb 1.16 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1k83 h GLU 120 CO 0.71 0.99 -0.15 -0.07 -0.73 0.00 0.00 179.01 179.76 1k83 h LEU 121 N 1.00 0.00 -0.06 1.64 3.38 -1.95 -2.03 115.31 117.28 1k83 h LEU 121 Ca 0.20 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 1k83 h LEU 121 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1k83 h LEU 121 CO 0.01 0.15 -1.01 -0.03 0.09 0.00 0.00 178.44 177.65 1k83 h MET 122 N 0.00 0.09 -0.69 1.13 4.05 -1.70 -3.01 114.93 114.81 1k83 h MET 122 Ca -0.00 -0.14 -0.07 0.00 -0.28 0.00 0.00 59.70 59.21 1k83 h MET 122 Cb 0.36 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1k83 h MET 122 CO 0.02 1.02 0.16 0.00 0.23 0.00 0.00 176.91 178.34 1k83 h ARG 123 N 0.03 1.10 -0.09 0.39 3.08 -0.65 0.10 114.38 118.35 1k83 h ARG 123 Ca -0.04 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 1k83 h ARG 123 Cb 1.73 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 1k83 h ARG 123 CO 0.14 0.98 0.04 1.96 -1.07 0.00 0.00 179.97 182.03 1k83 h GLN 124 N 1.03 0.13 -0.22 0.04 4.20 -1.49 -2.61 115.11 116.19 1k83 h GLN 124 Ca 0.21 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1k83 h GLN 124 Cb 0.38 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1k83 h GLN 124 CO 0.00 0.22 0.15 0.00 -0.67 0.00 0.00 178.83 178.53 1k83 h ALA 125 N 0.90 0.28 -0.23 3.87 0.00 -1.38 -2.40 119.26 120.30 1k83 h ALA 125 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1k83 h ALA 125 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1k83 h ALA 125 CO -0.00 -0.24 0.29 -0.07 0.00 0.00 0.00 179.25 179.23 1k83 h LEU 126 N 0.30 0.00 -0.65 0.00 3.38 -0.85 -1.67 115.31 115.83 1k83 h LEU 126 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1k83 h LEU 126 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1k83 h LEU 126 CO -0.02 0.00 -0.64 0.00 0.09 0.00 0.00 178.44 177.87 1k83 h ALA 127 N 1.64 0.87 -2.05 1.53 0.00 -1.04 -3.46 119.26 116.76 1k83 h ALA 127 Ca 0.11 -0.58 -0.60 0.00 0.00 0.00 0.00 54.91 53.83 1k83 h ALA 127 Cb 0.68 -0.10 0.13 0.00 0.00 0.00 0.00 17.79 18.50 1k83 h ALA 127 CO -0.00 0.80 -0.13 -0.89 0.00 0.00 0.00 179.25 179.04 1k83 n ILE 128 N -3.68 2.05 0.86 0.00 5.41 -0.63 -4.90 119.36 118.46 1k83 n ILE 128 Ca -0.01 -0.50 0.09 0.00 1.00 0.00 0.00 62.75 63.33 1k83 n ILE 128 Cb 0.66 -0.78 -0.04 0.00 -0.71 0.00 0.00 39.64 38.76 1k83 n ILE 128 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1k83 n LYS 129 N 0.51 1.27 -2.77 0.38 5.02 -1.26 -4.83 118.16 116.48 1k83 n LYS 129 Ca 0.11 -0.54 -0.43 0.00 -2.02 0.00 0.00 58.31 55.43 1k83 n LYS 129 Cb 0.37 -1.37 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 1k83 n LYS 129 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1k83 s ASP 130 N -2.40 6.33 0.50 4.39 -1.08 -1.26 -4.88 116.67 118.27 1k83 s ASP 130 Ca 0.12 -0.35 0.23 0.00 -0.52 0.00 0.00 52.55 52.03 1k83 s ASP 130 Cb 0.15 -2.46 1.23 0.00 -1.46 0.00 0.00 42.92 40.37 1k83 s ASP 130 CO 0.59 -1.34 1.65 0.77 0.52 0.00 0.00 175.17 177.36 1k83 h SER 131 N 9.44 0.00 0.04 -0.34 4.64 -1.94 0.63 113.55 126.01 1k83 h SER 131 Ca -0.26 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.82 1k83 h SER 131 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 1k83 h SER 131 CO 1.13 0.00 -1.25 0.11 -0.87 0.00 0.00 176.83 175.95 1k83 h LYS 132 N 0.00 0.08 -0.04 4.77 1.79 -1.96 -3.20 116.57 118.01 1k83 h LYS 132 Ca 0.00 -0.13 -0.19 0.00 -2.18 0.00 0.00 60.65 58.15 1k83 h LYS 132 Cb 0.58 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1k83 h LYS 132 CO 0.00 1.06 -0.78 0.87 -1.08 0.00 0.00 179.45 179.52 1k83 h LYS 133 N -0.74 0.33 -0.33 3.15 1.57 -1.46 -2.38 116.57 116.71 1k83 h LYS 133 Ca -0.31 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.00 1k83 h LYS 133 Cb 1.45 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.83 1k83 h LYS 133 CO -0.10 0.96 -0.46 -0.09 -0.57 0.00 0.00 179.45 179.18 1k83 h ARG 134 N 0.21 0.90 -0.46 3.15 2.43 -0.03 0.50 114.38 121.08 1k83 h ARG 134 Ca -0.04 -0.52 -0.01 0.00 -0.81 0.00 0.00 59.98 58.59 1k83 h ARG 134 Cb 1.37 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.94 1k83 h ARG 134 CO 0.13 1.17 0.23 0.35 -1.51 0.00 0.00 179.97 180.34 1k83 h PHE 135 N 0.70 0.66 -0.74 2.20 3.57 -1.55 -0.00 116.94 121.78 1k83 h PHE 135 Ca 0.04 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1k83 h PHE 135 Cb 1.07 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1k83 h PHE 135 CO 0.07 0.52 0.44 0.00 -2.23 0.00 0.00 178.31 177.11 1k83 h ALA 136 N 1.07 0.94 -0.33 2.41 0.00 -1.24 -1.24 119.26 120.87 1k83 h ALA 136 Ca 0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1k83 h ALA 136 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1k83 h ALA 136 CO -0.02 0.41 -0.03 0.00 0.00 0.00 0.00 179.25 179.61 1k83 h ALA 137 N 1.23 0.45 -0.59 0.00 0.00 -0.39 -2.21 119.26 117.76 1k83 h ALA 137 Ca 0.26 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1k83 h ALA 137 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1k83 h ALA 137 CO -0.05 0.24 0.10 0.82 0.00 0.00 0.00 179.25 180.36 1k83 h ILE 138 N 0.40 1.25 0.03 0.00 2.04 -0.84 -2.95 117.51 117.44 1k83 h ILE 138 Ca 0.09 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 1k83 h ILE 138 Cb 0.50 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1k83 h ILE 138 CO 0.02 0.35 -0.01 -0.25 0.00 0.00 0.00 178.15 178.26 1k83 h TRP 139 N 0.90 -0.04 0.00 1.37 7.01 -1.18 -1.32 115.95 122.69 1k83 h TRP 139 Ca 0.18 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1k83 h TRP 139 Cb 0.39 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 1k83 h TRP 139 CO 0.02 0.22 0.09 1.15 -2.79 0.00 0.00 178.44 177.14 1k83 h THR 140 N -0.30 0.00 0.00 2.65 2.02 -1.30 -1.80 112.91 114.18 1k83 h THR 140 Ca -0.00 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.81 1k83 h THR 140 Cb 0.28 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 1k83 h THR 140 CO 0.01 0.00 -2.37 -0.11 0.37 0.00 0.00 175.52 173.42 1k83 n LEU 141 N -2.51 0.74 0.04 2.58 7.94 -1.04 -4.64 117.00 120.12 1k83 n LEU 141 Ca -0.02 -0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.69 1k83 n LEU 141 Cb 0.13 0.15 -0.14 0.00 0.53 0.00 0.00 43.42 44.08 1k83 n LEU 141 CO 0.12 0.60 -0.53 0.00 -1.11 0.00 0.00 177.39 176.47 1k83 n LYS 143 N -3.45 0.05 0.05 0.00 2.85 -0.74 -0.87 118.16 116.04 1k83 n LYS 143 Ca -0.22 0.47 -0.03 0.00 -1.05 0.00 0.00 58.31 57.47 1k83 n LYS 143 Cb 1.05 -1.87 -0.01 0.00 -0.65 0.00 0.00 35.03 33.55 1k83 n LYS 143 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1k83 h THR 144 N 0.00 0.00 -1.51 0.58 2.02 -1.83 -3.45 112.91 108.72 1k83 h THR 144 Ca 0.00 -0.58 -0.71 0.00 0.77 0.00 0.00 66.41 65.89 1k83 h THR 144 Cb 0.40 0.00 0.06 0.00 -1.74 0.00 0.00 68.15 66.87 1k83 h THR 144 CO 0.00 0.00 0.28 0.29 0.37 0.00 0.00 175.52 176.46 1k83 n LYS 145 N -4.13 0.79 -0.06 6.66 4.76 -0.05 -4.86 118.16 121.27 1k83 n LYS 145 Ca -0.02 0.28 0.07 0.00 -2.87 0.00 0.00 58.31 55.77 1k83 n LYS 145 Cb 0.07 -1.84 0.09 0.00 -1.84 0.00 0.00 35.03 31.52 1k83 n LYS 145 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1k83 n MET 146 N 2.06 1.75 -3.69 1.97 2.81 -1.26 -4.91 117.12 115.85 1k83 n MET 146 Ca 0.18 -2.19 -0.10 0.00 -1.81 0.00 0.00 57.70 53.78 1k83 n MET 146 Cb 0.17 -1.31 -0.11 0.00 -0.71 0.00 0.00 33.22 31.26 1k83 n MET 146 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1k83 s VAL 147 N -2.21 -0.02 -1.03 2.03 1.01 -1.26 0.43 120.40 119.34 1k83 s VAL 147 Ca 0.21 0.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.05 1k83 s VAL 147 Cb 0.19 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1k83 s VAL 147 CO 0.02 0.04 1.67 0.00 0.00 0.00 0.00 175.10 176.83 1k83 n GLU 149 N 8.77 0.80 -0.13 0.00 1.02 -1.26 -3.61 120.64 126.22 1k83 n GLU 149 Ca 0.38 0.30 -0.28 0.00 -0.02 0.00 0.00 57.16 57.54 1k83 n GLU 149 Cb 0.49 -1.79 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 1k83 n GLU 149 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1k83 n THR 150 N -1.12 1.45 -4.37 2.62 -1.04 -1.26 -4.57 114.28 105.99 1k83 n THR 150 Ca 0.11 -0.38 -0.27 0.00 -2.04 0.00 0.00 64.05 61.48 1k83 n THR 150 Cb 0.43 -1.83 -0.12 0.00 -1.82 0.00 0.00 70.33 66.98 1k83 n THR 150 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1k83 s ASP 151 N -7.33 3.12 -0.01 8.00 1.01 -1.26 -1.74 116.67 118.47 1k83 s ASP 151 Ca -0.37 -0.78 -0.13 0.00 0.71 0.00 0.00 52.55 51.98 1k83 s ASP 151 Cb 0.14 -0.21 0.02 0.00 1.01 0.00 0.00 42.92 43.88 1k83 s ASP 151 CO 0.47 0.11 0.27 -0.69 0.21 0.00 0.00 175.17 175.55 1k83 s VAL 152 N -1.37 0.07 0.24 -1.27 1.01 0.42 -4.89 120.40 114.61 1k83 s VAL 152 Ca 0.15 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1k83 s VAL 152 Cb -0.09 -0.61 -0.11 0.00 0.00 0.00 0.00 36.38 35.58 1k83 s VAL 152 CO 0.07 -0.30 1.54 -2.16 0.00 0.00 0.00 175.10 174.25 1k83 s PRO 153 N -1.45 4.20 0.00 2.72 0.04 -1.26 0.53 135.00 139.78 1k83 s PRO 153 Ca -0.13 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1k83 s PRO 153 Cb -0.05 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1k83 s PRO 153 CO 0.03 -0.55 0.00 -1.13 0.04 0.00 0.00 177.00 175.39 1k83 n SER 154 N 2.74 -0.56 -0.10 6.66 3.41 -1.19 -4.84 113.62 119.75 1k83 n SER 154 Ca 0.09 -0.52 0.13 0.00 -0.26 0.00 0.00 58.87 58.31 1k83 n SER 154 Cb 0.39 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.82 1k83 n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k83 n GLU 155 N -1.08 0.46 0.00 4.33 1.02 -1.26 -4.78 120.64 119.33 1k83 n GLU 155 Ca 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1k83 n GLU 155 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1k83 n GLU 155 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1k83 n ASP 156 N -1.09 0.00 -4.70 1.62 8.00 -1.26 -5.04 116.55 114.07 1k83 n ASP 156 Ca 0.11 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 1k83 n ASP 156 Cb 0.31 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1k83 n ASP 156 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1k83 s ASP 157 N -0.54 6.94 0.00 -2.24 1.01 -1.26 -4.85 116.67 115.73 1k83 s ASP 157 Ca 0.00 2.09 0.08 0.00 0.71 0.00 0.00 52.55 55.42 1k83 s ASP 157 Cb 0.00 -2.57 0.42 0.00 1.01 0.00 0.00 42.92 41.78 1k83 s ASP 157 CO 0.00 -0.62 1.00 -0.81 0.21 0.00 0.00 175.17 174.95 1k83 n PRO 158 N 4.66 0.18 0.01 8.23 -0.04 -1.26 -0.39 135.00 146.39 1k83 n PRO 158 Ca 0.11 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 1k83 n PRO 158 Cb 0.44 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1k83 n PRO 158 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1k83 h THR 159 N 0.00 1.33 -2.87 0.52 2.02 -1.99 -3.44 112.91 108.48 1k83 h THR 159 Ca 0.00 -1.86 -0.64 0.00 0.77 0.00 0.00 66.41 64.68 1k83 h THR 159 Cb 0.03 1.83 -0.08 0.00 -1.74 0.00 0.00 68.15 68.19 1k83 h THR 159 CO 0.00 0.58 -0.41 -1.10 0.37 0.00 0.00 175.52 174.95 1k83 s GLN 160 N -3.93 3.73 0.32 6.66 -0.21 0.47 -5.10 119.66 121.60 1k83 s GLN 160 Ca -0.07 -0.02 0.07 0.00 0.02 0.00 0.00 55.36 55.36 1k83 s GLN 160 Cb 0.11 -3.25 -0.02 0.00 1.00 0.00 0.00 33.01 30.85 1k83 s GLN 160 CO 0.85 0.64 0.39 -0.51 -2.12 0.00 0.00 175.29 174.53 1k83 s LEU 161 N -0.68 3.87 -0.04 2.90 1.43 -1.26 -3.16 118.68 121.75 1k83 s LEU 161 Ca 0.16 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1k83 s LEU 161 Cb -0.13 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.52 1k83 s LEU 161 CO 0.05 -0.36 -0.15 -0.69 0.23 0.00 0.00 176.35 175.42 1k83 s VAL 162 N -2.20 1.28 0.59 -1.59 1.01 0.19 -4.81 120.40 114.88 1k83 s VAL 162 Ca 0.42 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 1k83 s VAL 162 Cb -0.08 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.22 1k83 s VAL 162 CO 0.29 0.38 0.86 -0.94 0.00 0.00 0.00 175.10 175.69 1k83 s SER 163 N 0.08 5.25 0.00 3.32 1.04 -1.26 -0.44 113.70 121.69 1k83 s SER 163 Ca -0.04 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1k83 s SER 163 Cb -0.11 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.84 1k83 s SER 163 CO 0.02 -1.22 0.00 -2.11 0.98 0.00 0.00 173.24 170.91 1k83 n ARG 164 N -2.54 0.00 -1.58 4.02 1.85 -0.71 -4.92 116.66 112.78 1k83 n ARG 164 Ca 0.07 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.51 1k83 n ARG 164 Cb 0.59 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.97 1k83 n ARG 164 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1k83 n GLY 165 N 0.00 0.71 3.57 2.89 0.00 -1.26 -4.84 105.19 106.25 1k83 n GLY 165 Ca 0.00 0.73 -0.20 0.00 0.00 0.00 0.00 46.02 46.55 1k83 n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k83 s GLY 166 N 9.84 -0.41 -0.29 -0.02 0.00 -1.26 -4.59 107.32 110.59 1k83 s GLY 166 Ca 1.00 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 1k83 s GLY 166 CO 0.32 3.91 0.77 0.00 0.00 0.00 0.00 173.10 178.09 1k83 n GLY 168 N 5.31 -0.67 3.31 0.00 0.00 -1.24 -4.33 105.19 107.58 1k83 n GLY 168 Ca 0.06 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1k83 n GLY 168 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k83 n ASN 169 N -0.66 -2.75 -4.77 1.61 3.02 -1.26 -4.19 115.26 106.25 1k83 n ASN 169 Ca 0.15 0.79 -0.38 0.00 -0.03 0.00 0.00 54.58 55.11 1k83 n ASN 169 Cb 0.31 -0.91 -0.05 0.00 -0.61 0.00 0.00 39.78 38.52 1k83 n ASN 169 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1k83 s THR 170 N -1.72 3.76 0.15 3.41 2.01 -1.26 -2.48 115.64 119.50 1k83 s THR 170 Ca 0.60 1.50 -0.14 0.00 0.31 0.00 0.00 61.69 63.96 1k83 s THR 170 Cb -0.60 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 67.99 1k83 s THR 170 CO 0.63 0.16 0.55 -1.58 -0.69 0.00 0.00 174.62 173.69 1k83 s GLN 171 N -2.05 3.98 0.15 4.92 2.00 0.17 -4.91 119.66 123.92 1k83 s GLN 171 Ca 0.52 0.50 -0.06 0.00 -2.00 0.00 0.00 55.36 54.32 1k83 s GLN 171 Cb -0.24 -2.93 -0.06 0.00 0.80 0.00 0.00 33.01 30.58 1k83 s GLN 171 CO 0.31 0.47 0.39 -1.25 -0.50 0.00 0.00 175.29 174.72 1k83 s PRO 172 N -1.97 3.64 -0.44 1.67 0.04 -1.26 -4.72 135.00 131.97 1k83 s PRO 172 Ca 0.38 -0.04 -0.21 0.00 0.04 0.00 0.00 61.00 61.18 1k83 s PRO 172 Cb -0.15 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.57 1k83 s PRO 172 CO 0.19 0.46 0.64 0.99 0.04 0.00 0.00 177.00 179.32 1k83 s THR 173 N -1.65 4.84 -0.02 1.26 2.01 -1.03 -4.81 115.64 116.24 1k83 s THR 173 Ca 0.41 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.33 1k83 s THR 173 Cb -0.12 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1k83 s THR 173 CO 0.24 -0.59 0.49 -0.63 -0.69 0.00 0.00 174.62 173.44 1k83 s ILE 174 N 2.80 4.98 0.27 1.82 1.01 -1.26 -2.45 121.20 128.36 1k83 s ILE 174 Ca 0.22 1.02 0.07 0.00 0.00 0.00 0.00 60.65 61.96 1k83 s ILE 174 Cb -0.14 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 1k83 s ILE 174 CO 0.19 0.48 -0.07 0.00 0.00 0.00 0.00 174.94 175.53 1k83 s ARG 175 N -0.48 1.51 -0.15 2.79 1.70 -0.19 -4.96 118.95 119.16 1k83 s ARG 175 Ca 0.27 -1.75 -0.02 0.00 -0.47 0.00 0.00 55.73 53.76 1k83 s ARG 175 Cb -0.17 -1.15 -0.02 0.00 -0.57 0.00 0.00 34.95 33.04 1k83 s ARG 175 CO 0.14 0.07 -0.09 0.21 -1.08 0.00 0.00 175.30 174.55 1k83 s LYS 176 N -3.71 3.47 -0.60 3.89 2.20 -1.26 -1.57 119.74 122.16 1k83 s LYS 176 Ca 0.28 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.31 1k83 s LYS 176 Cb 0.03 -2.78 0.16 0.00 -1.51 0.00 0.00 37.83 33.73 1k83 s LYS 176 CO 0.11 0.15 0.41 -0.51 -0.36 0.00 0.00 175.35 175.15 1k83 s ASP 177 N 0.55 3.97 1.19 1.43 1.01 -0.60 -5.01 116.67 119.20 1k83 s ASP 177 Ca -0.06 -3.48 0.00 0.00 0.71 0.00 0.00 52.55 49.72 1k83 s ASP 177 Cb -0.15 -1.33 0.00 0.00 1.01 0.00 0.00 42.92 42.45 1k83 s ASP 177 CO 0.03 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 175.89 1k83 n GLY 178 N 2.43 1.67 1.23 0.21 0.00 -1.26 -2.95 105.19 106.53 1k83 n GLY 178 Ca 0.19 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1k83 n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k83 n LEU 179 N 0.00 4.51 -4.12 0.99 4.77 -1.26 -4.98 117.00 116.91 1k83 n LEU 179 Ca 0.00 -3.05 -0.14 0.00 -0.03 0.00 0.00 56.01 52.79 1k83 n LEU 179 Cb 0.00 -0.60 -0.11 0.00 -2.33 0.00 0.00 43.42 40.38 1k83 n LEU 179 CO 0.00 0.70 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.80 1k83 s LYS 180 N -2.85 0.69 -0.13 3.23 1.02 -1.15 -4.96 119.74 115.59 1k83 s LYS 180 Ca 0.46 -0.95 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 1k83 s LYS 180 Cb 0.37 -0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 37.20 1k83 s LYS 180 CO 0.10 0.08 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.04 1k83 s LEU 181 N -1.95 3.09 -0.05 3.17 1.43 -1.26 -1.56 118.68 121.55 1k83 s LEU 181 Ca -0.03 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 1k83 s LEU 181 Cb -0.07 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1k83 s LEU 181 CO 0.00 0.21 -0.25 -0.69 0.23 0.00 0.00 176.35 175.85 1k83 s VAL 182 N 0.12 2.01 0.15 -1.59 1.01 -0.61 -0.40 120.40 121.09 1k83 s VAL 182 Ca -0.03 -1.05 0.10 0.00 0.00 0.00 0.00 61.98 61.00 1k83 s VAL 182 Cb -0.14 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1k83 s VAL 182 CO 0.03 0.56 -0.20 -0.83 0.00 0.00 0.00 175.10 174.66 1k83 s GLY 183 N -0.24 1.68 -0.16 4.51 0.00 -1.12 -1.02 107.32 110.96 1k83 s GLY 183 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1k83 s GLY 183 CO 0.03 -1.47 -0.12 -1.35 0.00 0.00 0.00 173.10 170.19 1k83 s SER 184 N -2.36 2.90 0.49 1.64 1.04 -1.03 -2.26 113.70 114.13 1k83 s SER 184 Ca 0.19 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 56.06 1k83 s SER 184 Cb -0.10 -1.18 0.03 0.00 0.10 0.00 0.00 66.02 64.88 1k83 s SER 184 CO 0.10 -0.09 0.68 0.26 0.98 0.00 0.00 173.24 175.17 1k83 s TRP 185 N 1.47 2.63 0.00 5.02 0.51 -0.69 -2.46 118.94 125.42 1k83 s TRP 185 Ca 0.03 -0.30 0.00 0.00 -2.12 0.00 0.00 56.10 53.71 1k83 s TRP 185 Cb -0.14 -2.52 0.00 0.00 -0.81 0.00 0.00 33.47 30.00 1k83 s TRP 185 CO -0.10 -0.70 0.00 1.17 -0.51 0.00 0.00 176.95 176.81 1k83 n LYS 186 N -2.10 0.00 -0.04 4.98 4.81 -1.26 -2.74 118.16 121.81 1k83 n LYS 186 Ca 0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1k83 n LYS 186 Cb 0.60 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.54 1k83 n LYS 186 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1k83 n LYS 187 N -0.34 1.19 0.00 1.64 5.02 -1.26 -4.86 118.16 119.55 1k83 n LYS 187 Ca 0.00 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1k83 n LYS 187 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1k83 n LYS 187 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1k83 n GLU 196 N -2.28 0.00 -2.34 1.97 2.13 -1.26 -5.23 120.64 113.63 1k83 n GLU 196 Ca -0.13 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.43 1k83 n GLU 196 Cb 0.69 0.00 0.11 0.00 0.27 0.00 0.00 31.44 32.51 1k83 n GLU 196 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1k83 s PRO 197 N 0.00 1.61 -0.03 5.31 0.04 -1.26 -5.07 135.00 135.59 1k83 s PRO 197 Ca 0.00 -0.72 0.05 0.00 0.04 0.00 0.00 61.00 60.38 1k83 s PRO 197 Cb 0.00 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1k83 s PRO 197 CO 0.00 -1.58 -0.20 -1.21 0.04 0.00 0.00 177.00 174.05 1k83 s GLU 198 N -5.32 1.81 -0.21 4.56 2.02 -1.11 -4.95 118.70 115.51 1k83 s GLU 198 Ca 0.66 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.96 1k83 s GLU 198 Cb -0.07 -1.64 0.04 0.00 0.10 0.00 0.00 34.13 32.56 1k83 s GLU 198 CO 0.46 0.35 -0.12 -0.51 0.02 0.00 0.00 175.26 175.46 1k83 s LEU 199 N -0.22 2.53 -0.09 1.80 1.43 -1.26 -1.70 118.68 121.17 1k83 s LEU 199 Ca 0.02 -0.98 -0.00 0.00 -1.03 0.00 0.00 54.13 52.13 1k83 s LEU 199 Cb -0.10 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.81 1k83 s LEU 199 CO 0.01 -0.14 -0.05 0.00 0.23 0.00 0.00 176.35 176.40 1k83 s ARG 200 N 1.32 1.17 0.43 1.70 1.70 -0.96 -4.99 118.95 119.32 1k83 s ARG 200 Ca -0.02 -0.14 -0.26 0.00 -0.47 0.00 0.00 55.73 54.84 1k83 s ARG 200 Cb -0.17 -1.28 -0.09 0.00 -0.57 0.00 0.00 34.95 32.84 1k83 s ARG 200 CO -0.08 -0.22 1.44 0.28 -1.08 0.00 0.00 175.30 175.64 1k83 n VAL 201 N 4.76 2.59 -2.95 4.99 0.31 -1.26 -2.81 118.33 123.96 1k83 n VAL 201 Ca -0.14 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.26 1k83 n VAL 201 Cb 0.50 -1.87 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 1k83 n VAL 201 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1k83 s LEU 202 N -2.49 4.39 0.65 7.52 1.43 0.47 -4.89 118.68 125.77 1k83 s LEU 202 Ca 0.59 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1k83 s LEU 202 Cb -0.46 -2.72 -0.00 0.00 0.03 0.00 0.00 46.19 43.04 1k83 s LEU 202 CO 0.59 -1.08 1.17 -0.94 0.23 0.00 0.00 176.35 176.32 1k83 s SER 203 N 2.70 4.87 0.58 2.29 1.04 -1.26 -4.50 113.70 119.43 1k83 s SER 203 Ca 0.25 2.25 0.30 0.00 0.48 0.00 0.00 55.95 59.23 1k83 s SER 203 Cb -0.15 -2.58 1.79 0.00 0.10 0.00 0.00 66.02 65.19 1k83 s SER 203 CO 0.17 -1.80 2.24 0.74 0.98 0.00 0.00 173.24 175.57 1k83 h THR 204 N 0.27 0.52 -0.04 2.02 2.02 -1.96 -1.97 112.91 113.77 1k83 h THR 204 Ca -0.48 -0.07 -0.18 0.00 0.77 0.00 0.00 66.41 66.46 1k83 h THR 204 Cb 1.28 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1k83 h THR 204 CO 0.53 0.01 -0.75 -0.08 0.37 0.00 0.00 175.52 175.61 1k83 h GLU 205 N 0.00 0.24 -0.29 6.66 4.81 -1.90 -1.05 114.58 123.05 1k83 h GLU 205 Ca -0.00 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 58.92 1k83 h GLU 205 Cb 0.04 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1k83 h GLU 205 CO 0.00 0.88 -0.20 0.93 -0.73 0.00 0.00 179.01 179.90 1k83 h GLU 206 N 0.16 0.64 -0.11 1.92 5.08 -1.73 -1.94 114.58 118.61 1k83 h GLU 206 Ca -0.03 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1k83 h GLU 206 Cb 1.32 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1k83 h GLU 206 CO 0.12 0.90 0.02 0.82 -1.00 0.00 0.00 179.01 179.87 1k83 h ILE 207 N 0.39 1.21 -0.77 3.13 1.08 -1.52 -0.32 117.51 120.71 1k83 h ILE 207 Ca 0.06 -0.65 0.09 0.00 -0.39 0.00 0.00 64.86 63.98 1k83 h ILE 207 Cb 0.74 1.43 -0.07 0.00 -3.07 0.00 0.00 36.82 35.85 1k83 h ILE 207 CO 0.05 0.19 0.41 0.25 -0.69 0.00 0.00 178.15 178.36 1k83 h LEU 208 N -0.04 0.57 -0.16 1.44 6.46 -1.17 -0.95 115.31 121.46 1k83 h LEU 208 Ca 0.03 0.05 -0.23 0.00 -0.12 0.00 0.00 57.88 57.62 1k83 h LEU 208 Cb 0.27 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1k83 h LEU 208 CO 0.00 0.33 -0.80 0.78 -0.62 0.00 0.00 178.44 178.12 1k83 h ASN 209 N 0.70 0.91 -0.16 1.25 2.35 -1.18 -2.75 115.58 116.70 1k83 h ASN 209 Ca 0.37 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1k83 h ASN 209 Cb 0.37 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1k83 h ASN 209 CO -0.26 1.41 0.10 0.40 -1.65 0.00 0.00 177.43 177.43 1k83 h ILE 210 N 0.51 1.06 -0.34 2.81 2.04 -0.66 -2.60 117.51 120.33 1k83 h ILE 210 Ca -0.06 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.74 1k83 h ILE 210 Cb 1.43 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 38.30 1k83 h ILE 210 CO 0.16 0.06 -0.11 -0.26 0.00 0.00 0.00 178.15 178.00 1k83 h PHE 211 N 0.20 -0.24 0.00 1.37 -1.00 -1.22 0.31 116.94 116.36 1k83 h PHE 211 Ca 0.06 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1k83 h PHE 211 Cb 0.00 0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1k83 h PHE 211 CO -0.06 -0.17 0.00 1.63 -1.61 0.00 0.00 178.31 178.10 1k83 n LYS 212 N -5.30 0.02 -0.11 1.51 5.02 -1.03 -0.41 118.16 117.86 1k83 n LYS 212 Ca 0.01 0.33 0.09 0.00 -2.02 0.00 0.00 58.31 56.71 1k83 n LYS 212 Cb 0.21 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.86 1k83 n LYS 212 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1k83 n HIS 213 N -1.34 0.30 -3.19 2.13 8.25 0.11 -4.93 115.22 116.54 1k83 n HIS 213 Ca 0.01 -0.20 -0.39 0.00 -0.26 0.00 0.00 57.72 56.88 1k83 n HIS 213 Cb 0.01 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1k83 n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1k83 s ILE 214 N -1.30 4.97 0.85 1.59 1.01 0.45 -4.62 121.20 124.15 1k83 s ILE 214 Ca 0.28 1.24 -0.11 0.00 0.00 0.00 0.00 60.65 62.06 1k83 s ILE 214 Cb 0.17 -3.93 0.10 0.00 0.01 0.00 0.00 42.46 38.81 1k83 s ILE 214 CO 0.24 0.38 1.10 -0.94 0.00 0.00 0.00 174.94 175.72 1k83 s SER 215 N 0.08 3.80 0.16 3.58 1.04 -1.26 -4.79 113.70 116.30 1k83 s SER 215 Ca 0.31 1.81 -0.12 0.00 0.48 0.00 0.00 55.95 58.44 1k83 s SER 215 Cb -0.18 -2.44 0.05 0.00 0.10 0.00 0.00 66.02 63.55 1k83 s SER 215 CO 0.16 -2.48 1.69 0.58 0.98 0.00 0.00 173.24 174.17 1k83 h VAL 216 N -1.44 1.24 -0.69 5.02 2.07 -1.98 -0.27 116.25 120.20 1k83 h VAL 216 Ca -0.45 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 1k83 h VAL 216 Cb 1.25 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1k83 h VAL 216 CO 0.50 0.30 0.25 0.11 0.02 0.00 0.00 177.57 178.75 1k83 h LYS 217 N 0.77 1.02 -0.08 1.57 1.57 -1.98 -0.32 116.57 119.12 1k83 h LYS 217 Ca 0.18 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1k83 h LYS 217 Cb 0.28 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1k83 h LYS 217 CO -0.01 0.84 -0.11 -0.44 -0.57 0.00 0.00 179.45 179.17 1k83 h ASP 218 N 1.00 0.24 1.56 0.86 3.32 -1.80 -1.29 116.42 120.30 1k83 h ASP 218 Ca 0.23 -0.51 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 1k83 h ASP 218 Cb 0.22 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1k83 h ASP 218 CO -0.02 0.71 -0.15 2.19 -1.72 0.00 0.00 179.24 180.25 1k83 h PHE 219 N -0.22 0.00 -0.02 4.55 -5.15 -1.06 -2.94 116.94 112.11 1k83 h PHE 219 Ca 0.01 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.59 1k83 h PHE 219 Cb 0.65 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.81 1k83 h PHE 219 CO 0.10 0.15 -0.83 1.15 -2.00 0.00 0.00 178.31 176.88 1k83 h THR 220 N 0.00 1.45 0.00 0.88 2.02 -1.05 -1.65 112.91 114.56 1k83 h THR 220 Ca -0.00 -2.43 -0.04 0.00 0.77 0.00 0.00 66.41 64.71 1k83 h THR 220 Cb 0.96 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1k83 h THR 220 CO 0.02 0.72 -0.18 0.77 0.37 0.00 0.00 175.52 177.21 1k83 h SER 221 N 0.16 0.00 -3.00 4.18 4.64 -1.13 -3.39 113.55 115.01 1k83 h SER 221 Ca -0.04 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 1k83 h SER 221 Cb 1.43 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.57 1k83 h SER 221 CO 0.13 0.18 0.12 0.18 -0.87 0.00 0.00 176.83 176.57 1k83 n LEU 222 N -3.72 0.00 -0.47 5.97 4.77 -0.93 -4.69 117.00 117.93 1k83 n LEU 222 Ca -0.02 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1k83 n LEU 222 Cb 0.29 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1k83 n LEU 222 CO 0.32 -0.80 0.33 0.61 -1.33 0.00 0.00 177.39 176.53 1k83 n GLY 223 N 2.01 1.07 3.89 -0.72 0.00 -1.25 -4.92 105.19 105.26 1k83 n GLY 223 Ca 0.06 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1k83 n GLY 223 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k83 s PHE 224 N -1.27 3.50 -0.21 1.61 0.40 -0.66 -4.38 117.98 116.97 1k83 s PHE 224 Ca 0.03 0.92 -0.02 0.00 -0.60 0.00 0.00 56.93 57.26 1k83 s PHE 224 Cb 0.02 -2.36 0.01 0.00 0.51 0.00 0.00 43.02 41.20 1k83 s PHE 224 CO 0.01 -0.13 -0.11 1.21 0.70 0.00 0.00 175.22 176.90 1k83 s ASN 225 N -3.46 3.83 0.02 1.36 3.84 -1.11 -4.08 114.94 115.33 1k83 s ASN 225 Ca 0.49 -0.54 0.01 0.00 0.21 0.00 0.00 52.86 53.03 1k83 s ASN 225 Cb -0.10 -1.63 0.06 0.00 -0.55 0.00 0.00 41.25 39.03 1k83 s ASN 225 CO 0.36 -0.02 0.96 -1.84 -2.79 0.00 0.00 177.10 173.76 1k83 n GLU 226 N 4.71 0.01 -0.04 0.43 0.28 -1.26 -0.76 120.64 124.02 1k83 n GLU 226 Ca -0.19 0.43 -0.09 0.00 -0.16 0.00 0.00 57.16 57.15 1k83 n GLU 226 Cb 0.50 -1.60 -0.03 0.00 1.43 0.00 0.00 31.44 31.74 1k83 n GLU 226 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1k83 n VAL 227 N -1.47 0.76 0.58 3.84 0.31 -1.26 -4.82 118.33 116.27 1k83 n VAL 227 Ca -0.00 -0.02 0.11 0.00 -0.01 0.00 0.00 64.34 64.42 1k83 n VAL 227 Cb 0.08 -1.70 0.01 0.00 -0.91 0.00 0.00 33.84 31.33 1k83 n VAL 227 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1k83 n PHE 228 N -3.56 0.25 -2.89 3.52 3.01 -1.20 -4.79 117.46 111.80 1k83 n PHE 228 Ca -0.16 0.07 -0.11 0.00 1.01 0.00 0.00 57.45 58.26 1k83 n PHE 228 Cb 0.52 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1k83 n PHE 228 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1k83 n SER 229 N -1.95 -2.36 -4.74 4.37 3.41 0.06 0.60 113.62 113.02 1k83 n SER 229 Ca 0.02 -2.98 -0.40 0.00 -0.26 0.00 0.00 58.87 55.24 1k83 n SER 229 Cb 0.43 1.17 -0.05 0.00 -0.26 0.00 0.00 64.21 65.50 1k83 n SER 229 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1k83 s ARG 230 N 0.40 4.78 0.23 4.33 0.52 -1.19 -2.76 118.95 125.25 1k83 s ARG 230 Ca 0.32 1.50 -0.11 0.00 -0.52 0.00 0.00 55.73 56.92 1k83 s ARG 230 Cb 0.12 -3.31 0.32 0.00 0.52 0.00 0.00 34.95 32.60 1k83 s ARG 230 CO -0.16 0.37 1.62 -1.35 0.02 0.00 0.00 175.30 175.80 1k83 h PRO 231 N 4.72 0.03 -0.98 3.54 0.11 -1.93 0.11 132.00 137.59 1k83 h PRO 231 Ca -0.44 -0.00 0.28 0.00 0.11 0.00 0.00 66.00 65.95 1k83 h PRO 231 Cb 1.21 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1k83 h PRO 231 CO 0.70 0.02 0.94 1.05 -0.21 0.00 0.00 178.00 180.49 1k83 h GLU 232 N 0.03 0.00 -0.00 1.05 4.11 -1.90 0.31 114.58 118.17 1k83 h GLU 232 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 1k83 h GLU 232 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1k83 h GLU 232 CO -0.71 0.00 -0.01 0.91 0.07 0.00 0.00 179.01 179.28 1k83 n TRP 233 N -3.63 0.00 0.64 2.06 8.01 0.40 -2.48 117.44 122.43 1k83 n TRP 233 Ca 0.21 0.00 0.12 0.00 -1.31 0.00 0.00 57.50 56.53 1k83 n TRP 233 Cb 1.26 -0.27 0.46 0.00 -2.01 0.00 0.00 31.31 30.75 1k83 n TRP 233 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 1k83 n MET 234 N -1.26 0.17 -3.48 -0.99 2.81 0.11 -4.50 117.12 109.98 1k83 n MET 234 Ca 0.15 0.22 -0.38 0.00 -1.81 0.00 0.00 57.70 55.88 1k83 n MET 234 Cb 0.24 -1.73 -0.10 0.00 -0.71 0.00 0.00 33.22 30.92 1k83 n MET 234 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1k83 s ILE 235 N -3.12 5.24 -0.10 2.02 -1.09 -1.03 -2.90 121.20 120.22 1k83 s ILE 235 Ca 0.09 0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 58.62 1k83 s ILE 235 Cb 0.13 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1k83 s ILE 235 CO 0.50 0.21 1.04 -0.76 -1.23 0.00 0.00 174.94 174.69 1k83 s LEU 236 N 1.86 4.25 -0.04 2.97 1.43 0.32 -4.88 118.68 124.59 1k83 s LEU 236 Ca 0.12 1.57 -0.02 0.00 -1.03 0.00 0.00 54.13 54.77 1k83 s LEU 236 Cb -0.16 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 1k83 s LEU 236 CO 0.10 -0.47 -0.05 0.41 0.23 0.00 0.00 176.35 176.57 1k83 n THR 237 N 4.56 0.23 -4.01 5.49 -1.04 -1.26 -1.33 114.28 116.91 1k83 n THR 237 Ca 0.09 -0.06 -0.34 0.00 -2.04 0.00 0.00 64.05 61.70 1k83 n THR 237 Cb 0.48 -1.51 -0.15 0.00 -1.82 0.00 0.00 70.33 67.33 1k83 n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k83 s LEU 239 N 1.38 4.33 0.04 0.00 0.20 -1.03 -4.83 118.68 118.77 1k83 s LEU 239 Ca 0.05 0.55 -0.29 0.00 0.69 0.00 0.00 54.13 55.13 1k83 s LEU 239 Cb -0.14 -2.29 -0.04 0.00 -0.43 0.00 0.00 46.19 43.29 1k83 s LEU 239 CO -0.08 0.25 0.95 -2.16 -0.29 0.00 0.00 176.35 175.02 1k83 s PRO 240 N -0.31 4.60 -0.43 0.98 0.04 -1.26 -3.44 135.00 135.18 1k83 s PRO 240 Ca 0.16 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 1k83 s PRO 240 Cb -0.13 -3.42 0.03 0.00 0.04 0.00 0.00 34.50 31.02 1k83 s PRO 240 CO 0.05 0.08 0.40 0.08 0.04 0.00 0.00 177.00 177.64 1k83 s VAL 241 N 0.55 5.15 0.27 -0.36 1.01 -0.45 -4.93 120.40 121.64 1k83 s VAL 241 Ca 0.49 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 1k83 s VAL 241 Cb -0.22 -4.04 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 1k83 s VAL 241 CO 0.28 -0.44 1.60 -0.81 0.00 0.00 0.00 175.10 175.73 1k83 n PRO 242 N 5.43 2.63 -0.88 2.72 -0.04 -1.26 0.51 135.00 144.10 1k83 n PRO 242 Ca -0.09 0.94 -0.30 0.00 -0.04 0.00 0.00 63.50 64.00 1k83 n PRO 242 Cb 0.46 -2.72 0.16 0.00 -0.04 0.00 0.00 33.50 31.36 1k83 n PRO 242 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1k83 s PRO 243 N -0.14 1.02 0.28 0.54 0.04 -1.22 -4.57 135.00 130.95 1k83 s PRO 243 Ca 0.67 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.93 1k83 s PRO 243 Cb -0.52 -1.75 0.61 0.00 0.04 0.00 0.00 34.50 32.88 1k83 s PRO 243 CO 0.45 -2.52 1.47 -2.30 0.04 0.00 0.00 177.00 174.14 1k83 n PRO 244 N -4.13 -0.08 -0.37 0.56 -0.02 -1.26 -1.04 135.00 128.66 1k83 n PRO 244 Ca 0.09 1.43 0.35 0.00 -2.02 0.00 0.00 63.50 63.35 1k83 n PRO 244 Cb 0.53 -2.22 0.71 0.00 -0.02 0.00 0.00 33.50 32.50 1k83 n PRO 244 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1k83 h PRO 245 N 0.00 0.08 0.00 0.52 0.13 -1.94 -3.19 132.00 127.60 1k83 h PRO 245 Ca 0.53 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.65 1k83 h PRO 245 Cb 1.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1k83 h PRO 245 CO -0.91 0.05 0.00 0.28 -0.23 0.00 0.00 178.00 177.19 1k83 n VAL 246 N -4.28 0.00 -0.85 1.56 0.31 -0.20 -5.10 118.33 109.76 1k83 n VAL 246 Ca 0.28 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.32 1k83 n VAL 246 Cb 1.27 -0.25 0.25 0.00 -0.91 0.00 0.00 33.84 34.20 1k83 n VAL 246 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k83 s ARG 247 N 0.00 -1.54 0.00 5.55 1.70 -1.21 -5.06 118.95 118.38 1k83 s ARG 247 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.37 1k83 s ARG 247 Cb 0.00 -1.54 0.00 0.00 -0.57 0.00 0.00 34.95 32.84 1k83 s ARG 247 CO 0.00 -3.96 0.00 -3.47 -1.08 0.00 0.00 175.30 166.79 1k83 n ASP 260 N -4.97 0.00 -0.33 -2.89 -0.08 -1.26 -4.64 116.55 102.38 1k83 n ASP 260 Ca 0.11 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.37 1k83 n ASP 260 Cb 0.59 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.08 1k83 n ASP 260 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1k83 h ASP 261 N 0.00 -1.37 -1.00 1.67 3.32 -1.99 0.42 116.42 117.46 1k83 h ASP 261 Ca 0.00 0.29 0.20 0.00 0.02 0.00 0.00 57.03 57.54 1k83 h ASP 261 Cb 0.00 0.71 -0.11 0.00 0.22 0.00 0.00 39.33 40.15 1k83 h ASP 261 CO 0.00 -0.29 0.61 -0.07 -1.72 0.00 0.00 179.24 177.77 1k83 h LEU 262 N -0.05 0.74 -1.33 1.55 3.38 -1.97 0.51 115.31 118.14 1k83 h LEU 262 Ca 0.31 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.34 1k83 h LEU 262 Cb 0.58 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1k83 h LEU 262 CO -0.90 0.24 0.02 0.74 0.09 0.00 0.00 178.44 178.63 1k83 h THR 263 N 0.71 1.18 0.71 0.22 2.02 -0.48 0.24 112.91 117.50 1k83 h THR 263 Ca 0.58 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1k83 h THR 263 Cb 0.99 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1k83 h THR 263 CO -0.38 0.23 -0.34 -0.26 0.37 0.00 0.00 175.52 175.14 1k83 h PHE 264 N 0.45 -0.88 -1.06 3.16 0.05 0.46 0.24 116.94 119.36 1k83 h PHE 264 Ca 0.10 -0.02 0.30 0.00 3.82 0.00 0.00 57.97 62.17 1k83 h PHE 264 Cb 0.27 0.29 -0.05 0.00 2.00 0.00 0.00 35.95 38.46 1k83 h PHE 264 CO 0.01 -0.55 0.75 -0.22 -0.18 0.00 0.00 178.31 178.12 1k83 h LYS 265 N -1.09 0.07 -0.07 1.51 1.63 -0.78 1.14 116.57 118.98 1k83 h LYS 265 Ca -0.10 -0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.45 1k83 h LYS 265 Cb 0.73 -0.02 0.02 0.00 -0.60 0.00 0.00 32.23 32.36 1k83 h LYS 265 CO 0.16 0.05 -0.92 -0.07 -3.45 0.00 0.00 179.45 175.22 1k83 h LEU 266 N 0.07 0.92 0.30 5.20 3.38 -0.19 -2.11 115.31 122.87 1k83 h LEU 266 Ca 0.52 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1k83 h LEU 266 Cb 1.94 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 1k83 h LEU 266 CO -0.06 1.47 -0.32 0.00 0.09 0.00 0.00 178.44 179.62 1k83 h ALA 267 N 0.49 -0.67 -0.66 1.53 0.00 0.47 0.33 119.26 120.75 1k83 h ALA 267 Ca -0.09 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1k83 h ALA 267 Cb 1.56 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.79 1k83 h ALA 267 CO 0.18 -0.92 0.44 -0.44 0.00 0.00 0.00 179.25 178.52 1k83 h ASP 268 N -0.66 0.74 -0.86 0.00 3.32 -1.16 0.49 116.42 118.29 1k83 h ASP 268 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1k83 h ASP 268 Cb 0.61 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1k83 h ASP 268 CO -0.08 0.53 0.52 0.40 -1.72 0.00 0.00 179.24 178.89 1k83 h ILE 269 N 0.87 1.24 -0.11 0.35 2.04 -0.64 0.49 117.51 121.74 1k83 h ILE 269 Ca 0.25 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1k83 h ILE 269 Cb -0.06 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.05 1k83 h ILE 269 CO -0.06 0.25 0.04 -0.07 0.00 0.00 0.00 178.15 178.32 1k83 h LEU 270 N 1.18 0.15 0.36 1.44 3.38 0.26 -1.46 115.31 120.62 1k83 h LEU 270 Ca 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1k83 h LEU 270 Cb -0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1k83 h LEU 270 CO -0.06 0.27 -0.40 0.11 0.09 0.00 0.00 178.44 178.45 1k83 h LYS 271 N 0.02 -0.74 -0.95 1.13 1.57 0.43 0.16 116.57 118.18 1k83 h LYS 271 Ca 0.04 0.05 0.21 0.00 -1.87 0.00 0.00 60.65 59.08 1k83 h LYS 271 Cb 0.17 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.57 1k83 h LYS 271 CO -0.00 -0.49 0.62 0.00 -0.57 0.00 0.00 179.45 179.00 1k83 h ALA 272 N -1.05 2.13 -0.21 3.86 0.00 -0.94 0.40 119.26 123.46 1k83 h ALA 272 Ca -0.04 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1k83 h ALA 272 Cb 0.68 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1k83 h ALA 272 CO -0.07 -0.45 -0.18 -0.97 0.00 0.00 0.00 179.25 177.57 1k83 h ASN 273 N 0.46 0.52 -0.37 0.00 -1.24 -0.70 -2.48 115.58 111.77 1k83 h ASN 273 Ca 0.51 -0.46 -0.17 0.00 0.71 0.00 0.00 56.30 56.89 1k83 h ASN 273 Cb 1.19 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 40.09 1k83 h ASN 273 CO -0.23 0.88 -0.41 0.40 -1.29 0.00 0.00 177.43 176.78 1k83 h ILE 274 N 0.17 1.27 0.00 2.57 2.04 0.16 -2.32 117.51 121.40 1k83 h ILE 274 Ca 0.04 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 1k83 h ILE 274 Cb 0.72 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1k83 h ILE 274 CO 0.05 0.53 -0.13 0.77 0.00 0.00 0.00 178.15 179.36 1k83 h SER 275 N 0.76 0.00 0.09 1.72 4.64 -0.37 -1.79 113.55 118.61 1k83 h SER 275 Ca 0.05 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.14 1k83 h SER 275 Cb 1.01 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1k83 h SER 275 CO 0.10 0.13 -0.92 0.25 -0.87 0.00 0.00 176.83 175.53 1k83 h LEU 276 N 0.00 0.76 -1.01 5.97 5.85 -1.13 -3.08 115.31 122.67 1k83 h LEU 276 Ca -0.00 -0.57 -0.08 0.00 0.84 0.00 0.00 57.88 58.07 1k83 h LEU 276 Cb 0.50 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1k83 h LEU 276 CO 0.02 1.36 -0.39 -0.33 -0.34 0.00 0.00 178.44 178.76 1k83 h GLU 277 N 0.37 0.00 -1.76 1.25 5.08 -0.95 -2.91 114.58 115.66 1k83 h GLU 277 Ca -0.09 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.08 1k83 h GLU 277 Cb 1.55 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.72 1k83 h GLU 277 CO 0.17 0.39 0.21 2.41 -1.00 0.00 0.00 179.01 181.19 1k83 n THR 278 N -3.64 2.51 -1.47 1.13 -1.04 -0.71 -2.17 114.28 108.89 1k83 n THR 278 Ca -0.01 -1.25 0.00 0.00 -2.04 0.00 0.00 64.05 60.75 1k83 n THR 278 Cb 0.49 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1k83 n THR 278 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1k83 n LEU 279 N 0.95 0.00 0.00 -4.42 4.77 -1.10 -4.78 117.00 112.42 1k83 n LEU 279 Ca 0.20 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1k83 n LEU 279 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1k83 n LEU 279 CO 0.21 0.23 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.58 1k83 n GLU 280 N 0.00 0.00 0.15 3.23 1.02 -0.92 -3.34 120.64 120.78 1k83 n GLU 280 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1k83 n GLU 280 Cb 0.49 -0.49 0.64 0.00 -0.02 0.00 0.00 31.44 32.06 1k83 n GLU 280 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1k83 h HIS 281 N 0.00 0.05 0.00 -0.32 2.76 -1.77 0.45 115.15 116.32 1k83 h HIS 281 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1k83 h HIS 281 Cb 0.60 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 1k83 h HIS 281 CO 0.00 0.03 -0.30 0.27 -1.30 0.00 0.00 177.93 176.63 1k83 n ASN 282 N -4.48 1.95 -0.86 3.26 6.94 -1.26 -5.11 115.26 115.70 1k83 n ASN 282 Ca 0.02 -3.51 0.12 0.00 -0.02 0.00 0.00 54.58 51.18 1k83 n ASN 282 Cb 0.26 -0.48 -0.03 0.00 -2.36 0.00 0.00 39.78 37.17 1k83 n ASN 282 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k83 n GLY 283 N -1.22 -1.12 0.00 4.83 0.00 0.15 -4.94 105.19 102.89 1k83 n GLY 283 Ca 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1k83 n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k83 n ALA 284 N -1.57 0.00 -0.74 4.61 0.00 -1.21 -4.17 120.51 117.44 1k83 n ALA 284 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1k83 n ALA 284 Cb 0.60 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.19 1k83 n ALA 284 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1k83 n PRO 285 N -0.64 -0.56 -0.04 0.00 -0.02 -1.26 -4.85 135.00 127.63 1k83 n PRO 285 Ca 0.00 -0.12 -0.15 0.00 -2.02 0.00 0.00 63.50 61.22 1k83 n PRO 285 Cb 0.00 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.40 1k83 n PRO 285 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1k83 h HIS 286 N -1.76 0.58 0.00 6.00 2.07 -1.99 -2.94 115.15 117.11 1k83 h HIS 286 Ca -0.45 -0.23 -0.02 0.00 -2.85 0.00 0.00 60.37 56.82 1k83 h HIS 286 Cb 1.29 -0.10 -0.00 0.00 2.57 0.00 0.00 27.41 31.16 1k83 h HIS 286 CO 0.39 0.96 -0.09 1.25 -3.07 0.00 0.00 177.93 177.37 1k83 h HIS 287 N 0.04 0.00 0.03 6.12 -0.00 -1.99 -2.34 115.15 117.01 1k83 h HIS 287 Ca -0.01 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.20 1k83 h HIS 287 Cb 0.97 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.39 1k83 h HIS 287 CO 0.11 0.09 -0.65 0.00 -0.00 0.00 0.00 177.93 177.48 1k83 h ALA 288 N 1.91 0.04 0.00 5.26 0.00 -1.92 -1.99 119.26 122.55 1k83 h ALA 288 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1k83 h ALA 288 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1k83 h ALA 288 CO 0.01 0.36 0.00 0.82 0.00 0.00 0.00 179.25 180.44 1k83 h ILE 289 N -0.14 0.00 0.07 0.00 2.04 -1.33 -2.60 117.51 115.55 1k83 h ILE 289 Ca -0.09 -0.31 -0.29 0.00 1.00 0.00 0.00 64.86 65.18 1k83 h ILE 289 Cb 1.38 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1k83 h ILE 289 CO 0.13 0.00 -1.50 -0.33 0.00 0.00 0.00 178.15 176.45 1k83 h GLU 290 N 0.00 0.15 -0.10 2.37 5.08 -1.29 -2.90 114.58 117.89 1k83 h GLU 290 Ca 0.00 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 57.99 1k83 h GLU 290 Cb 0.35 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1k83 h GLU 290 CO 0.00 0.96 -0.46 1.49 -1.00 0.00 0.00 179.01 179.99 1k83 h GLU 291 N 0.04 0.24 -0.01 2.33 4.57 -0.99 -2.14 114.58 118.62 1k83 h GLU 291 Ca -0.22 -0.13 -0.22 0.00 -1.18 0.00 0.00 59.36 57.62 1k83 h GLU 291 Cb 1.97 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.57 1k83 h GLU 291 CO 0.13 0.66 -0.90 0.00 -1.18 0.00 0.00 179.01 177.72 1k83 h ALA 292 N 1.32 0.42 -0.21 2.92 0.00 -1.60 -2.25 119.26 119.86 1k83 h ALA 292 Ca 0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1k83 h ALA 292 Cb 0.90 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1k83 h ALA 292 CO 0.07 0.82 -0.00 0.93 0.00 0.00 0.00 179.25 181.07 1k83 h GLU 293 N 0.22 0.38 0.00 0.00 5.08 -1.34 -1.40 114.58 117.52 1k83 h GLU 293 Ca -0.07 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1k83 h GLU 293 Cb 1.52 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1k83 h GLU 293 CO 0.15 0.57 0.00 -1.13 -1.00 0.00 0.00 179.01 177.61 1k83 n SER 294 N -4.67 0.00 -0.08 1.42 3.41 -0.82 -1.06 113.62 111.82 1k83 n SER 294 Ca -0.04 0.16 -0.16 0.00 -0.26 0.00 0.00 58.87 58.57 1k83 n SER 294 Cb 0.24 -0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 63.73 1k83 n SER 294 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1k83 h LEU 295 N 0.00 0.00 -0.43 1.04 5.85 -0.77 -2.80 115.31 118.21 1k83 h LEU 295 Ca 0.00 -0.66 0.02 0.00 0.84 0.00 0.00 57.88 58.07 1k83 h LEU 295 Cb 0.21 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1k83 h LEU 295 CO 0.00 1.15 0.26 0.25 -0.34 0.00 0.00 178.44 179.76 1k83 h LEU 296 N -1.00 0.43 -1.10 2.25 5.85 -1.02 -1.65 115.31 119.07 1k83 h LEU 296 Ca -0.14 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.69 1k83 h LEU 296 Cb 1.02 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1k83 h LEU 296 CO -0.09 0.31 0.61 -0.61 -0.34 0.00 0.00 178.44 178.32 1k83 h GLN 297 N 0.53 0.92 0.00 1.25 5.75 -1.22 0.18 115.11 122.52 1k83 h GLN 297 Ca 0.17 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 1k83 h GLN 297 Cb -0.01 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 1k83 h GLN 297 CO -0.07 0.61 -0.30 0.35 -2.65 0.00 0.00 178.83 176.77 1k83 h PHE 298 N 0.95 0.00 0.00 3.99 3.57 -1.02 -2.34 116.94 122.09 1k83 h PHE 298 Ca 0.46 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.83 1k83 h PHE 298 Cb 0.44 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1k83 h PHE 298 CO -0.00 0.30 -0.77 0.45 -2.23 0.00 0.00 178.31 176.06 1k83 h HIS 299 N 0.00 0.00 -0.79 0.41 3.86 -0.63 -2.06 115.15 115.93 1k83 h HIS 299 Ca -0.00 0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.42 1k83 h HIS 299 Cb 0.56 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 1k83 h HIS 299 CO 0.00 1.03 0.56 0.28 0.86 0.00 0.00 177.93 180.66 1k83 h VAL 300 N -1.00 0.64 0.05 2.45 2.07 -0.81 0.73 116.25 120.38 1k83 h VAL 300 Ca -0.19 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1k83 h VAL 300 Cb 1.01 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1k83 h VAL 300 CO -0.12 0.02 -0.02 0.00 0.02 0.00 0.00 177.57 177.47 1k83 h ALA 301 N 1.62 -0.31 -0.41 1.67 0.00 -1.53 -3.25 119.26 117.04 1k83 h ALA 301 Ca 0.39 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.40 1k83 h ALA 301 Cb 1.37 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1k83 h ALA 301 CO -0.04 -0.31 0.45 1.15 0.00 0.00 0.00 179.25 180.50 1k83 h THR 302 N -0.19 0.37 -0.52 0.00 2.02 -0.97 0.21 112.91 113.83 1k83 h THR 302 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1k83 h THR 302 Cb 0.05 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1k83 h THR 302 CO 0.01 0.00 0.26 0.22 0.37 0.00 0.00 175.52 176.38 1k83 h TYR 303 N 0.00 0.74 0.13 3.16 3.20 0.38 -3.22 116.97 121.36 1k83 h TYR 303 Ca 0.19 -0.03 -0.35 0.00 3.14 0.00 0.00 58.73 61.69 1k83 h TYR 303 Cb 1.09 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1k83 h TYR 303 CO 0.00 0.57 -1.83 0.52 -1.64 0.00 0.00 178.16 175.78 1k83 h MET 304 N 0.69 0.29 -3.18 1.82 2.86 -0.89 -2.11 114.93 114.41 1k83 h MET 304 Ca 0.18 -0.49 -0.34 0.00 -2.06 0.00 0.00 59.70 56.99 1k83 h MET 304 Cb 0.10 0.18 -0.38 0.00 0.06 0.00 0.00 31.60 31.56 1k83 h MET 304 CO -0.02 1.18 -0.70 -0.51 1.06 0.00 0.00 176.91 177.92 1k83 s ASP 305 N -7.04 1.07 -1.05 1.22 1.01 0.49 -0.29 116.67 112.08 1k83 s ASP 305 Ca -0.17 0.13 -0.17 0.00 0.71 0.00 0.00 52.55 53.05 1k83 s ASP 305 Cb 0.06 0.04 0.13 0.00 1.01 0.00 0.00 42.92 44.16 1k83 s ASP 305 CO 0.81 -0.26 1.29 0.20 0.21 0.00 0.00 175.17 177.43 1k83 s ASN 306 N 2.22 6.77 -0.37 0.27 0.01 -1.25 -3.79 114.94 118.80 1k83 s ASN 306 Ca 0.04 -2.33 -0.01 0.00 -0.71 0.00 0.00 52.86 49.86 1k83 s ASN 306 Cb -0.12 -2.43 0.25 0.00 0.41 0.00 0.00 41.25 39.36 1k83 s ASN 306 CO -0.05 -1.01 1.12 -0.67 -1.51 0.00 0.00 177.10 174.99 1k83 n ASP 307 N 6.57 -1.77 0.00 -1.22 -0.08 -1.26 -5.08 116.55 113.71 1k83 n ASP 307 Ca 0.30 -2.04 0.00 0.00 -1.51 0.00 0.00 54.79 51.54 1k83 n ASP 307 Cb 0.47 1.01 0.00 0.00 2.34 0.00 0.00 41.12 44.94 1k83 n ASP 307 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1k83 n ILE 308 N 1.77 0.00 -0.31 5.18 5.41 -1.26 -5.03 119.36 125.12 1k83 n ILE 308 Ca 0.05 0.00 0.16 0.00 1.00 0.00 0.00 62.75 63.96 1k83 n ILE 308 Cb 0.67 0.00 0.40 0.00 -0.71 0.00 0.00 39.64 40.01 1k83 n ILE 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k83 h ALA 309 N 1.54 1.91 -3.00 -1.39 0.00 -1.99 -3.44 119.26 112.88 1k83 h ALA 309 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k83 h ALA 309 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1k83 h ALA 309 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.41 1k83 n GLY 310 N -1.41 5.45 3.14 0.00 0.00 -1.26 -5.23 105.19 105.87 1k83 n GLY 310 Ca 0.22 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 1k83 n GLY 310 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k83 s GLN 311 N 1.80 0.51 0.00 1.61 -0.21 -1.26 -4.61 119.66 117.51 1k83 s GLN 311 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.07 1k83 s GLN 311 Cb 0.00 0.22 0.00 0.00 1.00 0.00 0.00 33.01 34.23 1k83 s GLN 311 CO 0.00 -0.12 0.00 -1.13 -2.12 0.00 0.00 175.29 171.92 1k83 n SER 324 N 1.51 0.00 0.09 5.90 3.41 -1.26 -5.18 113.62 118.09 1k83 n SER 324 Ca -0.22 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1k83 n SER 324 Cb 0.56 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.43 1k83 n SER 324 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1k83 h ILE 325 N 2.41 0.89 -0.85 -1.33 2.04 -1.38 1.57 117.51 120.85 1k83 h ILE 325 Ca 0.00 -0.87 0.17 0.00 1.00 0.00 0.00 64.86 65.17 1k83 h ILE 325 Cb 0.00 1.37 -0.11 0.00 -0.74 0.00 0.00 36.82 37.34 1k83 h ILE 325 CO 0.00 0.18 0.40 -0.09 0.00 0.00 0.00 178.15 178.64 1k83 h ARG 326 N -0.72 0.50 -0.02 2.37 2.43 -0.92 0.19 114.38 118.21 1k83 h ARG 326 Ca -0.03 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1k83 h ARG 326 Cb 0.50 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1k83 h ARG 326 CO 0.04 0.33 0.01 0.00 -1.51 0.00 0.00 179.97 178.85 1k83 h ALA 327 N 1.61 0.03 -0.98 2.80 0.00 -1.64 -1.54 119.26 119.54 1k83 h ALA 327 Ca 0.49 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.59 1k83 h ALA 327 Cb 0.80 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1k83 h ALA 327 CO -0.43 -0.44 0.64 0.00 0.00 0.00 0.00 179.25 179.02 1k83 h ARG 328 N -0.04 0.42 0.00 0.00 3.08 0.52 1.41 114.38 119.76 1k83 h ARG 328 Ca 0.01 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1k83 h ARG 328 Cb 0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1k83 h ARG 328 CO -0.00 0.28 -0.35 -0.07 -1.07 0.00 0.00 179.97 178.76 1k83 h LEU 329 N 0.43 0.00 0.00 3.04 3.38 -0.36 -2.40 115.31 119.40 1k83 h LEU 329 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1k83 h LEU 329 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1k83 h LEU 329 CO -0.25 0.35 0.00 0.29 0.09 0.00 0.00 178.44 178.92 1k83 n LYS 330 N -3.36 0.00 0.00 1.13 5.02 0.48 0.52 118.16 121.94 1k83 n LYS 330 Ca 0.01 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1k83 n LYS 330 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1k83 n LYS 330 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k83 n GLY 331 N -1.08 -2.38 0.00 0.72 0.00 -1.09 -3.94 105.19 97.41 1k83 n GLY 331 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k83 n GLY 331 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k83 n LYS 332 N 0.00 1.29 0.00 1.61 5.02 0.15 -3.79 118.16 122.44 1k83 n LYS 332 Ca 0.00 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1k83 n LYS 332 Cb 0.50 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 1k83 n LYS 332 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1k83 n GLU 333 N -0.20 3.11 0.00 1.97 0.28 1.96 -4.22 120.64 123.54 1k83 n GLU 333 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1k83 n GLU 333 Cb 0.07 -0.98 0.25 0.00 1.43 0.00 0.00 31.44 32.21 1k83 n GLU 333 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k83 n GLY 334 N 2.98 -0.72 0.14 -1.84 0.00 -0.39 -3.80 105.19 101.56 1k83 n GLY 334 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.63 1k83 n GLY 334 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k83 n ARG 335 N -0.86 2.82 -3.65 1.61 0.63 -1.25 -4.85 116.66 111.11 1k83 n ARG 335 Ca 0.09 -0.38 -0.39 0.00 -0.92 0.00 0.00 57.85 56.26 1k83 n ARG 335 Cb 0.36 -1.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.17 1k83 n ARG 335 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1k83 s ILE 336 N -1.46 3.94 -0.36 5.15 1.01 -1.25 -4.96 121.20 123.27 1k83 s ILE 336 Ca 0.06 -2.35 0.01 0.00 0.00 0.00 0.00 60.65 58.37 1k83 s ILE 336 Cb 0.07 -3.59 0.15 0.00 0.01 0.00 0.00 42.46 39.10 1k83 s ILE 336 CO 0.27 -0.82 0.26 -0.69 0.00 0.00 0.00 174.94 173.96 1k83 s VAL 345 N 0.67 0.06 0.37 2.92 1.01 -1.26 -4.99 120.40 119.19 1k83 s VAL 345 Ca 0.12 -1.68 -0.10 0.00 0.00 0.00 0.00 61.98 60.32 1k83 s VAL 345 Cb -0.22 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 1k83 s VAL 345 CO -0.03 -0.94 0.72 1.51 0.00 0.00 0.00 175.10 176.36 1k83 s ASP 346 N 1.02 6.52 -1.00 3.32 -4.77 -1.26 -4.35 116.67 116.15 1k83 s ASP 346 Ca 0.20 1.05 -0.05 0.00 -3.30 0.00 0.00 52.55 50.44 1k83 s ASP 346 Cb -0.18 -2.29 0.01 0.00 -1.09 0.00 0.00 42.92 39.37 1k83 s ASP 346 CO -0.02 -0.34 0.72 0.49 0.70 0.00 0.00 175.17 176.72 1k83 n PHE 347 N -1.15 -1.86 -4.01 2.11 0.99 -1.26 -4.88 117.46 107.40 1k83 n PHE 347 Ca 0.02 0.62 -0.09 0.00 -0.00 0.00 0.00 57.45 58.00 1k83 n PHE 347 Cb 0.54 -3.75 -0.09 0.00 -1.00 0.00 0.00 39.48 35.19 1k83 n PHE 347 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1k83 s SER 348 N -3.10 0.24 0.04 4.37 1.04 -1.26 -1.04 113.70 113.98 1k83 s SER 348 Ca 0.36 -0.93 -0.17 0.00 0.48 0.00 0.00 55.95 55.69 1k83 s SER 348 Cb -0.16 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.31 1k83 s SER 348 CO 0.44 -0.74 0.37 0.00 0.98 0.00 0.00 173.24 174.30 1k83 s ALA 349 N -3.95 -0.90 0.02 5.32 0.00 -0.60 -4.96 121.76 116.70 1k83 s ALA 349 Ca 0.13 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.32 1k83 s ALA 349 Cb 0.06 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 1k83 s ALA 349 CO -0.05 -0.44 -0.04 0.50 0.00 0.00 0.00 175.76 175.73 1k83 s ARG 350 N -2.46 0.34 0.10 0.00 3.52 -1.26 -0.76 118.95 118.42 1k83 s ARG 350 Ca -0.05 -0.43 -0.26 0.00 -0.13 0.00 0.00 55.73 54.86 1k83 s ARG 350 Cb -0.01 -0.15 0.09 0.00 -1.56 0.00 0.00 34.95 33.31 1k83 s ARG 350 CO -0.02 0.03 1.12 0.99 -0.81 0.00 0.00 175.30 176.60 1k83 s THR 351 N -0.82 0.00 0.51 4.11 2.01 -1.12 -4.95 115.64 115.38 1k83 s THR 351 Ca -0.07 -0.45 -0.22 0.00 0.31 0.00 0.00 61.69 61.26 1k83 s THR 351 Cb -0.06 -2.48 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 1k83 s THR 351 CO -0.00 0.00 1.20 -0.69 -0.69 0.00 0.00 174.62 174.44 1k83 s VAL 352 N -2.47 2.85 0.16 3.82 1.01 -1.26 -1.49 120.40 123.02 1k83 s VAL 352 Ca 0.19 0.61 0.07 0.00 0.00 0.00 0.00 61.98 62.85 1k83 s VAL 352 Cb -0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1k83 s VAL 352 CO 0.01 -0.04 0.01 0.27 0.00 0.00 0.00 175.10 175.36 1k83 s ILE 353 N -1.54 3.82 0.01 2.22 -4.36 -0.81 -1.29 121.20 119.25 1k83 s ILE 353 Ca 0.68 -1.33 -0.00 0.00 -0.26 0.00 0.00 60.65 59.74 1k83 s ILE 353 Cb -0.30 -2.91 -0.01 0.00 1.25 0.00 0.00 42.46 40.48 1k83 s ILE 353 CO 0.36 -0.08 -0.01 -0.44 0.24 0.00 0.00 174.94 175.01 1k83 s SER 354 N -2.86 0.15 0.53 4.36 0.01 -0.29 -4.71 113.70 110.88 1k83 s SER 354 Ca 0.27 -0.31 -0.16 0.00 1.31 0.00 0.00 55.95 57.06 1k83 s SER 354 Cb -0.10 0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 1k83 s SER 354 CO 0.19 -0.20 0.99 -0.83 0.41 0.00 0.00 173.24 173.81 1k83 s GLY 355 N -0.94 2.03 -0.23 3.44 0.00 -1.26 -1.81 107.32 108.55 1k83 s GLY 355 Ca -0.10 0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.75 1k83 s GLY 355 CO -0.01 0.45 0.20 -0.35 0.00 0.00 0.00 173.10 173.40 1k83 s ASP 356 N -3.15 1.87 0.13 1.64 -1.08 0.71 -4.81 116.67 111.97 1k83 s ASP 356 Ca 0.59 -0.53 0.12 0.00 -0.52 0.00 0.00 52.55 52.21 1k83 s ASP 356 Cb -0.10 0.22 0.57 0.00 -1.46 0.00 0.00 42.92 42.15 1k83 s ASP 356 CO 0.34 -0.36 1.36 -0.81 0.52 0.00 0.00 175.17 176.22 1k83 n PRO 357 N 5.30 0.07 -0.06 4.34 -0.04 -1.26 -2.42 135.00 140.93 1k83 n PRO 357 Ca -0.05 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 1k83 n PRO 357 Cb 0.48 -1.68 0.13 0.00 -0.04 0.00 0.00 33.50 32.38 1k83 n PRO 357 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1k83 n ASN 358 N -1.82 3.00 -4.90 3.54 3.02 -1.26 -4.68 115.26 112.16 1k83 n ASN 358 Ca 0.00 -1.93 -0.29 0.00 -0.03 0.00 0.00 54.58 52.34 1k83 n ASN 358 Cb 0.07 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1k83 n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k83 s LEU 359 N -1.69 4.09 0.39 3.41 1.43 -1.01 -5.07 118.68 120.21 1k83 s LEU 359 Ca 0.29 0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 53.89 1k83 s LEU 359 Cb 0.19 -3.50 -0.10 0.00 0.03 0.00 0.00 46.19 42.81 1k83 s LEU 359 CO 0.28 -0.17 0.87 -1.61 0.23 0.00 0.00 176.35 175.95 1k83 s GLU 360 N -3.46 4.15 0.24 1.70 0.41 -1.26 -4.76 118.70 115.72 1k83 s GLU 360 Ca 0.43 0.96 0.00 0.00 -0.41 0.00 0.00 54.97 55.95 1k83 s GLU 360 Cb -0.11 -2.29 0.57 0.00 -1.78 0.00 0.00 34.13 30.52 1k83 s GLU 360 CO 0.29 0.05 1.25 -0.11 -0.49 0.00 0.00 175.26 176.24 1k83 n LEU 361 N -0.50 -0.12 -1.22 1.80 7.94 -1.26 -0.52 117.00 123.11 1k83 n LEU 361 Ca 0.06 1.35 0.07 0.00 -1.11 0.00 0.00 56.01 56.38 1k83 n LEU 361 Cb 0.54 -0.48 0.26 0.00 0.53 0.00 0.00 43.42 44.27 1k83 n LEU 361 CO 0.39 -1.36 0.70 -0.90 -1.11 0.00 0.00 177.39 175.11 1k83 n ASP 362 N -5.15 3.56 -4.98 1.96 3.85 -1.26 -4.68 116.55 109.84 1k83 n ASP 362 Ca 0.18 -2.31 -0.20 0.00 -0.71 0.00 0.00 54.79 51.75 1k83 n ASP 362 Cb 0.58 -0.48 -0.00 0.00 -1.35 0.00 0.00 41.12 39.86 1k83 n ASP 362 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1k83 s GLN 363 N -1.74 3.14 -0.04 0.11 -0.21 0.32 -0.89 119.66 120.35 1k83 s GLN 363 Ca 0.37 -0.87 -0.01 0.00 0.02 0.00 0.00 55.36 54.87 1k83 s GLN 363 Cb 0.24 -2.77 0.03 0.00 1.00 0.00 0.00 33.01 31.51 1k83 s GLN 363 CO 0.18 0.02 0.04 0.54 -2.12 0.00 0.00 175.29 173.96 1k83 s VAL 364 N -2.24 0.02 -0.13 1.09 0.11 -0.49 -4.56 120.40 114.20 1k83 s VAL 364 Ca 0.45 0.31 -0.29 0.00 -2.93 0.00 0.00 61.98 59.51 1k83 s VAL 364 Cb -0.10 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1k83 s VAL 364 CO 0.32 0.18 1.27 -0.83 -3.33 0.00 0.00 175.10 172.71 1k83 s GLY 365 N 1.85 1.74 -0.30 6.54 0.00 0.27 -2.03 107.32 115.40 1k83 s GLY 365 Ca 0.01 0.53 -0.04 0.00 0.00 0.00 0.00 44.72 45.22 1k83 s GLY 365 CO -0.03 2.46 0.04 0.14 0.00 0.00 0.00 173.10 175.70 1k83 s VAL 366 N 3.21 3.39 0.21 1.40 1.01 -0.38 -1.74 120.40 127.51 1k83 s VAL 366 Ca 0.56 -1.12 -0.32 0.00 0.00 0.00 0.00 61.98 61.11 1k83 s VAL 366 Cb -0.23 -2.87 -0.15 0.00 0.00 0.00 0.00 36.38 33.14 1k83 s VAL 366 CO 0.17 -0.04 1.25 -0.81 0.00 0.00 0.00 175.10 175.67 1k83 n PRO 367 N 4.73 1.55 -0.34 2.72 -0.04 -1.26 -1.92 135.00 140.44 1k83 n PRO 367 Ca -0.14 0.55 0.20 0.00 -0.04 0.00 0.00 63.50 64.07 1k83 n PRO 367 Cb 0.45 -2.10 0.42 0.00 -0.04 0.00 0.00 33.50 32.23 1k83 n PRO 367 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1k83 h LYS 368 N 3.55 0.46 0.00 0.54 3.64 0.22 0.72 116.57 125.69 1k83 h LYS 368 Ca -0.44 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1k83 h LYS 368 Cb 1.31 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1k83 h LYS 368 CO 0.71 0.30 -0.26 0.66 -2.27 0.00 0.00 179.45 178.59 1k83 h SER 369 N 0.47 0.00 1.00 4.20 4.64 -1.87 -2.24 113.55 119.75 1k83 h SER 369 Ca 0.68 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.83 1k83 h SER 369 Cb 1.39 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.46 1k83 h SER 369 CO -0.53 0.26 -1.07 0.40 -0.87 0.00 0.00 176.83 175.02 1k83 h ILE 370 N 0.00 0.89 0.00 0.95 2.04 -1.23 -3.29 117.51 116.87 1k83 h ILE 370 Ca -0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1k83 h ILE 370 Cb 0.50 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1k83 h ILE 370 CO 0.03 0.51 0.00 0.00 0.00 0.00 0.00 178.15 178.69 1k83 h ALA 371 N 1.32 1.00 0.00 1.87 0.00 -0.73 -2.40 119.26 120.32 1k83 h ALA 371 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1k83 h ALA 371 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1k83 h ALA 371 CO 0.07 0.00 -0.44 1.63 0.00 0.00 0.00 179.25 180.51 1k83 n LYS 372 N -3.00 0.03 -0.06 0.00 5.02 -1.05 -3.25 118.16 115.85 1k83 n LYS 372 Ca 0.01 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 1k83 n LYS 372 Cb 0.30 -1.52 -0.15 0.00 -0.02 0.00 0.00 35.03 33.64 1k83 n LYS 372 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1k83 n THR 373 N -1.57 1.52 -3.35 -0.18 -1.04 -0.92 -4.87 114.28 103.87 1k83 n THR 373 Ca 0.05 -0.79 -0.39 0.00 -2.04 0.00 0.00 64.05 60.89 1k83 n THR 373 Cb 0.35 -0.91 -0.08 0.00 -1.82 0.00 0.00 70.33 67.86 1k83 n THR 373 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1k83 s LEU 374 N -5.98 4.06 0.36 -4.42 1.43 -1.09 -5.01 118.68 108.03 1k83 s LEU 374 Ca -0.12 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 1k83 s LEU 374 Cb 0.07 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1k83 s LEU 374 CO 0.80 -0.19 0.16 0.42 0.23 0.00 0.00 176.35 177.76 1k83 s THR 375 N 2.02 2.77 -0.13 5.49 -4.23 -1.26 -2.09 115.64 118.21 1k83 s THR 375 Ca 0.17 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1k83 s THR 375 Cb -0.16 -2.97 0.05 0.00 1.34 0.00 0.00 72.50 70.76 1k83 s THR 375 CO 0.09 -0.12 0.07 -0.47 -0.54 0.00 0.00 174.62 173.65 1k83 s TYR 376 N -2.48 0.30 -0.10 3.99 5.04 0.76 -4.87 117.35 119.99 1k83 s TYR 376 Ca 0.39 -0.20 -0.29 0.00 -2.44 0.00 0.00 57.07 54.53 1k83 s TYR 376 Cb -0.01 -0.68 -0.05 0.00 0.35 0.00 0.00 41.96 41.57 1k83 s TYR 376 CO 0.23 -0.41 1.75 -1.25 -1.34 0.00 0.00 175.55 174.52 1k83 s PRO 377 N 2.10 3.97 -0.19 4.97 0.04 -1.26 -2.73 135.00 141.91 1k83 s PRO 377 Ca 0.03 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1k83 s PRO 377 Cb -0.15 -4.07 0.04 0.00 0.04 0.00 0.00 34.50 30.37 1k83 s PRO 377 CO -0.07 -1.10 -0.09 -2.00 0.04 0.00 0.00 177.00 173.78 1k83 s GLU 378 N 4.50 1.84 0.28 4.56 2.12 -0.57 -4.91 118.70 126.50 1k83 s GLU 378 Ca 0.78 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 55.06 1k83 s GLU 378 Cb -0.33 -2.29 -0.12 0.00 0.26 0.00 0.00 34.13 31.65 1k83 s GLU 378 CO 0.32 -0.43 1.59 0.28 -0.54 0.00 0.00 175.26 176.48 1k83 n VAL 379 N 4.74 0.92 -2.04 3.70 0.31 -1.26 -1.84 118.33 122.87 1k83 n VAL 379 Ca -0.14 -0.23 -0.42 0.00 -0.01 0.00 0.00 64.34 63.54 1k83 n VAL 379 Cb 0.47 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 1k83 n VAL 379 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1k83 s VAL 380 N 0.09 3.62 0.06 2.52 1.01 0.53 -4.90 120.40 123.33 1k83 s VAL 380 Ca 0.65 0.73 0.02 0.00 0.00 0.00 0.00 61.98 63.39 1k83 s VAL 380 Cb -0.51 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1k83 s VAL 380 CO 0.47 -0.13 -0.07 -0.89 0.00 0.00 0.00 175.10 174.49 1k83 s THR 381 N 4.48 0.57 0.57 3.92 2.01 -1.26 -0.87 115.64 125.07 1k83 s THR 381 Ca 0.73 -1.39 0.27 0.00 0.31 0.00 0.00 61.69 61.62 1k83 s THR 381 Cb -0.31 -0.99 0.34 0.00 0.01 0.00 0.00 72.50 71.55 1k83 s THR 381 CO 0.29 -0.57 2.23 1.55 -0.69 0.00 0.00 174.62 177.44 1k83 h PRO 382 N 3.95 0.00 0.00 4.92 0.13 -1.99 0.38 132.00 139.38 1k83 h PRO 382 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1k83 h PRO 382 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1k83 h PRO 382 CO 0.49 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.93 1k83 n TYR 383 N -3.96 0.42 -1.33 1.56 0.53 -1.26 -3.73 117.16 109.39 1k83 n TYR 383 Ca -0.03 0.16 0.00 0.00 -1.02 0.00 0.00 57.90 57.01 1k83 n TYR 383 Cb 0.09 -0.76 0.00 0.00 -1.03 0.00 0.00 39.34 37.64 1k83 n TYR 383 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 1k83 n ASN 384 N -1.87 0.00 -0.09 7.72 6.94 0.24 -4.90 115.26 123.30 1k83 n ASN 384 Ca 0.03 -1.23 0.11 0.00 -0.02 0.00 0.00 54.58 53.47 1k83 n ASN 384 Cb 0.22 -0.05 0.48 0.00 -2.36 0.00 0.00 39.78 38.07 1k83 n ASN 384 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1k83 h ILE 385 N 3.95 0.92 0.04 1.53 -0.00 -0.46 -1.40 117.51 122.09 1k83 h ILE 385 Ca 0.00 -0.16 -0.00 0.00 -0.00 0.00 0.00 64.86 64.70 1k83 h ILE 385 Cb 1.09 0.42 0.00 0.00 -0.00 0.00 0.00 36.82 38.33 1k83 h ILE 385 CO 0.00 0.08 -0.02 0.44 -0.00 0.00 0.00 178.15 178.65 1k83 h ASP 386 N 0.46 -0.05 -0.45 2.19 3.32 -1.86 -1.22 116.42 118.80 1k83 h ASP 386 Ca 0.27 -0.55 0.09 0.00 0.02 0.00 0.00 57.03 56.87 1k83 h ASP 386 Cb 0.48 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.95 1k83 h ASP 386 CO -0.08 0.69 -0.14 -0.09 -1.72 0.00 0.00 179.24 177.89 1k83 h ARG 387 N -0.95 -0.04 0.05 3.56 2.43 -1.90 0.30 114.38 117.83 1k83 h ARG 387 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1k83 h ARG 387 Cb 0.59 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1k83 h ARG 387 CO 0.01 -0.03 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.35 1k83 h LEU 388 N -0.04 -0.05 -0.63 3.80 3.38 -1.38 -0.83 115.31 119.56 1k83 h LEU 388 Ca 0.22 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1k83 h LEU 388 Cb 0.38 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.02 1k83 h LEU 388 CO -0.49 0.16 -0.09 0.74 0.09 0.00 0.00 178.44 178.85 1k83 h THR 389 N -0.27 0.40 -0.83 0.22 2.02 -0.42 0.10 112.91 114.14 1k83 h THR 389 Ca -0.01 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.21 1k83 h THR 389 Cb 0.24 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1k83 h THR 389 CO 0.01 0.01 0.52 -0.61 0.37 0.00 0.00 175.52 175.82 1k83 h GLN 390 N 0.04 0.95 0.07 6.66 5.75 -0.14 -2.35 115.11 126.10 1k83 h GLN 390 Ca 0.32 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1k83 h GLN 390 Cb 0.51 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1k83 h GLN 390 CO -0.61 0.63 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.09 1k83 h LEU 391 N 0.98 -0.08 -1.19 -2.39 3.38 0.59 -2.09 115.31 114.50 1k83 h LEU 391 Ca 0.35 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.28 1k83 h LEU 391 Cb 0.09 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1k83 h LEU 391 CO -0.14 0.14 0.60 0.58 0.09 0.00 0.00 178.44 179.71 1k83 h VAL 392 N -0.30 0.81 -0.53 1.22 2.07 -0.76 0.18 116.25 118.93 1k83 h VAL 392 Ca -0.01 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1k83 h VAL 392 Cb 0.26 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1k83 h VAL 392 CO 0.02 0.14 0.07 0.03 0.02 0.00 0.00 177.57 177.84 1k83 h ARG 393 N 0.74 0.88 -0.62 1.57 3.08 -1.19 -2.51 114.38 116.33 1k83 h ARG 393 Ca 0.49 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 1k83 h ARG 393 Cb 0.76 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1k83 h ARG 393 CO -0.25 0.87 0.33 -0.91 -1.07 0.00 0.00 179.97 178.94 1k83 h ASN 394 N 0.76 0.77 -3.87 7.04 2.35 -0.04 -3.49 115.58 119.10 1k83 h ASN 394 Ca 0.16 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1k83 h ASN 394 Cb 0.43 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1k83 h ASN 394 CO 0.01 0.63 -0.03 0.61 -1.65 0.00 0.00 177.43 177.01 1k83 n GLY 395 N -1.22 -2.16 0.00 2.83 0.00 -0.06 -3.63 105.19 100.95 1k83 n GLY 395 Ca 0.06 -1.47 0.07 0.00 0.00 0.00 0.00 46.02 44.68 1k83 n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k83 n PRO 396 N -0.88 0.13 -0.04 1.61 -0.04 -0.88 -3.12 135.00 131.79 1k83 n PRO 396 Ca 0.00 0.19 0.03 0.00 -0.04 0.00 0.00 63.50 63.68 1k83 n PRO 396 Cb 0.04 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.86 1k83 n PRO 396 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1k83 n ASN 397 N -1.36 0.80 -4.97 3.54 5.03 -1.26 -4.97 115.26 112.07 1k83 n ASN 397 Ca 0.06 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.30 1k83 n ASN 397 Cb 0.13 1.51 -0.01 0.00 -1.02 0.00 0.00 39.78 40.39 1k83 n ASN 397 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1k83 s GLU 398 N -2.97 3.35 0.00 3.52 2.02 -1.22 -5.09 118.70 118.32 1k83 s GLU 398 Ca -0.07 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1k83 s GLU 398 Cb 0.09 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.50 1k83 s GLU 398 CO 0.74 0.27 0.00 1.58 0.02 0.00 0.00 175.26 177.87 1k83 n HIS 399 N -1.56 0.00 -1.29 1.61 -0.00 -1.26 -3.98 115.22 108.74 1k83 n HIS 399 Ca -0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.56 1k83 n HIS 399 Cb 0.57 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.46 1k83 n HIS 399 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1k83 n PRO 400 N 0.00 0.07 0.00 1.57 -0.02 -1.26 -4.57 135.00 130.79 1k83 n PRO 400 Ca 0.00 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1k83 n PRO 400 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1k83 n PRO 400 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k83 n GLY 401 N 5.27 4.71 3.34 -1.23 0.00 -1.26 -4.39 105.19 111.63 1k83 n GLY 401 Ca 0.32 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1k83 n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k83 s ALA 402 N -1.77 -1.09 -0.15 4.61 0.00 -1.18 -1.22 121.76 120.97 1k83 s ALA 402 Ca 0.00 0.20 0.17 0.00 0.00 0.00 0.00 51.96 52.33 1k83 s ALA 402 Cb 0.00 0.59 -0.24 0.00 0.00 0.00 0.00 23.12 23.47 1k83 s ALA 402 CO 0.00 -0.59 0.14 1.63 0.00 0.00 0.00 175.76 176.94 1k83 n LYS 403 N 0.02 0.94 -3.79 0.00 5.02 0.42 -2.06 118.16 118.70 1k83 n LYS 403 Ca -0.17 -0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 55.96 1k83 n LYS 403 Cb 0.62 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 1k83 n LYS 403 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1k83 s TYR 404 N -2.64 -0.05 -0.12 2.13 1.51 -1.22 -1.83 117.35 115.13 1k83 s TYR 404 Ca -0.09 -0.10 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1k83 s TYR 404 Cb 0.07 0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.98 1k83 s TYR 404 CO 0.76 -0.46 -0.14 0.08 -1.11 0.00 0.00 175.55 174.68 1k83 s VAL 405 N -2.40 1.44 -0.20 0.71 1.01 -1.02 -0.55 120.40 119.40 1k83 s VAL 405 Ca -0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1k83 s VAL 405 Cb -0.02 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 1k83 s VAL 405 CO -0.03 0.43 -0.08 -0.63 0.00 0.00 0.00 175.10 174.80 1k83 s ILE 406 N 1.20 3.18 0.53 2.22 1.01 0.82 -1.16 121.20 129.00 1k83 s ILE 406 Ca -0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 1k83 s ILE 406 Cb -0.14 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.93 1k83 s ILE 406 CO -0.05 0.46 0.76 -0.13 0.00 0.00 0.00 174.94 175.98 1k83 s ARG 407 N 1.20 2.76 0.00 2.79 0.52 -0.85 -0.92 118.95 124.45 1k83 s ARG 407 Ca 0.02 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1k83 s ARG 407 Cb -0.14 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1k83 s ARG 407 CO -0.03 -0.58 0.17 -0.25 0.02 0.00 0.00 175.30 174.64 1k83 n ASP 408 N -2.30 0.00 0.22 0.23 10.43 -1.26 0.14 116.55 124.00 1k83 n ASP 408 Ca 0.05 0.17 0.04 0.00 2.57 0.00 0.00 54.79 57.62 1k83 n ASP 408 Cb 0.59 -0.06 0.21 0.00 1.84 0.00 0.00 41.12 43.70 1k83 n ASP 408 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 1k83 h SER 409 N 0.00 0.00 0.00 -2.24 4.64 -2.00 -3.43 113.55 110.53 1k83 h SER 409 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k83 h SER 409 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1k83 h SER 409 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1k83 n GLY 410 N -1.30 0.95 3.72 -0.77 0.00 0.37 -5.06 105.19 103.11 1k83 n GLY 410 Ca -0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1k83 n GLY 410 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k83 s ASP 411 N -2.05 7.05 -0.49 1.61 1.01 -1.21 -4.83 116.67 117.77 1k83 s ASP 411 Ca 0.00 2.15 -0.15 0.00 0.71 0.00 0.00 52.55 55.26 1k83 s ASP 411 Cb 0.00 -2.59 0.09 0.00 1.01 0.00 0.00 42.92 41.42 1k83 s ASP 411 CO 0.00 -0.44 0.41 -0.13 0.21 0.00 0.00 175.17 175.22 1k83 s ARG 412 N 0.47 2.96 -0.35 8.23 0.52 -1.26 -2.01 118.95 127.50 1k83 s ARG 412 Ca 0.57 -1.45 -0.21 0.00 -0.52 0.00 0.00 55.73 54.12 1k83 s ARG 412 Cb -0.32 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 31.00 1k83 s ARG 412 CO 0.33 -1.10 0.67 0.42 0.02 0.00 0.00 175.30 175.64 1k83 s ILE 413 N 1.62 4.86 -0.44 1.52 1.01 -0.31 -4.96 121.20 124.50 1k83 s ILE 413 Ca 0.04 0.67 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 1k83 s ILE 413 Cb -0.26 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.14 1k83 s ILE 413 CO 0.05 -0.33 1.11 -0.62 0.00 0.00 0.00 174.94 175.16 1k83 s ASP 414 N 1.79 6.70 0.59 3.58 -1.08 -1.26 -2.42 116.67 124.56 1k83 s ASP 414 Ca 0.26 0.58 0.37 0.00 -0.52 0.00 0.00 52.55 53.25 1k83 s ASP 414 Cb -0.14 -2.54 1.82 0.00 -1.46 0.00 0.00 42.92 40.59 1k83 s ASP 414 CO 0.15 -1.15 2.16 -0.07 0.52 0.00 0.00 175.17 176.78 1k83 h LEU 415 N 10.91 0.00 0.00 -1.34 3.38 -1.69 -2.84 115.31 123.73 1k83 h LEU 415 Ca -0.22 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.57 1k83 h LEU 415 Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1k83 h LEU 415 CO 1.10 0.02 -0.86 0.08 0.09 0.00 0.00 178.44 178.87 1k83 h ARG 416 N 0.00 0.00 -3.56 1.13 0.11 -1.91 -3.42 114.38 106.74 1k83 h ARG 416 Ca -0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 1k83 h ARG 416 Cb 0.28 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 30.96 1k83 h ARG 416 CO 0.00 0.78 -0.76 0.71 0.10 0.00 0.00 179.97 180.80 1k83 s TYR 417 N -2.80 1.28 0.00 4.08 1.51 -1.07 -5.07 117.35 115.28 1k83 s TYR 417 Ca 0.02 -1.19 0.00 0.00 -1.01 0.00 0.00 57.07 54.89 1k83 s TYR 417 Cb 0.09 -1.26 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1k83 s TYR 417 CO 0.79 -0.72 0.00 0.45 -1.11 0.00 0.00 175.55 174.97 1k83 n SER 418 N 4.98 0.00 0.00 2.29 2.88 -1.25 -4.51 113.62 118.01 1k83 n SER 418 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1k83 n SER 418 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1k83 n SER 418 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1k83 n LYS 419 N 0.00 0.00 0.00 -1.46 2.85 -1.26 0.11 118.16 118.40 1k83 n LYS 419 Ca 0.00 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1k83 n LYS 419 Cb 0.00 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 1k83 n LYS 419 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1k83 n ARG 420 N -0.71 2.33 -0.41 -1.58 1.74 -1.26 -4.77 116.66 112.00 1k83 n ARG 420 Ca 0.00 -1.28 0.35 0.00 -0.77 0.00 0.00 57.85 56.15 1k83 n ARG 420 Cb 0.02 -0.89 0.66 0.00 -1.02 0.00 0.00 32.46 31.22 1k83 n ARG 420 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k83 h ALA 421 N 0.00 2.84 -0.02 7.54 0.00 0.44 0.48 119.26 130.55 1k83 h ALA 421 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k83 h ALA 421 Cb 0.60 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1k83 h ALA 421 CO 0.00 -1.32 -0.32 0.41 0.00 0.00 0.00 179.25 178.01 1k83 n GLY 422 N -1.63 0.25 2.61 0.00 0.00 -1.26 -4.59 105.19 100.57 1k83 n GLY 422 Ca 0.32 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1k83 n GLY 422 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1k83 n ASP 423 N 0.30 3.61 -4.10 1.61 2.03 0.17 -5.05 116.55 115.12 1k83 n ASP 423 Ca 0.11 -3.47 -0.29 0.00 0.52 0.00 0.00 54.79 51.66 1k83 n ASP 423 Cb 0.49 -0.62 -0.17 0.00 -0.72 0.00 0.00 41.12 40.11 1k83 n ASP 423 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1k83 s ILE 424 N -3.25 1.62 -0.64 5.18 1.01 -1.23 -4.91 121.20 118.97 1k83 s ILE 424 Ca 0.44 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 1k83 s ILE 424 Cb 0.22 -1.45 0.17 0.00 0.01 0.00 0.00 42.46 41.41 1k83 s ILE 424 CO -0.08 0.46 0.50 -1.10 0.00 0.00 0.00 174.94 174.72 1k83 s GLN 425 N 0.73 2.79 0.38 2.79 -0.21 -1.26 -5.06 119.66 119.82 1k83 s GLN 425 Ca -0.12 -2.36 -0.26 0.00 0.02 0.00 0.00 55.36 52.65 1k83 s GLN 425 Cb -0.16 -3.93 -0.12 0.00 1.00 0.00 0.00 33.01 29.80 1k83 s GLN 425 CO 0.02 -1.20 1.03 1.28 -2.12 0.00 0.00 175.29 174.30 1k83 n LEU 426 N 3.88 2.43 -4.21 2.90 4.77 -1.26 -5.00 117.00 120.51 1k83 n LEU 426 Ca 0.06 1.09 -0.25 0.00 -0.03 0.00 0.00 56.01 56.88 1k83 n LEU 426 Cb 0.41 -1.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.01 1k83 n LEU 426 CO 0.35 -1.39 -0.51 -1.10 -1.33 0.00 0.00 177.39 173.41 1k83 s GLN 427 N -1.87 1.41 0.18 3.23 -0.21 -1.26 -5.08 119.66 116.05 1k83 s GLN 427 Ca 0.61 -0.81 -0.33 0.00 0.02 0.00 0.00 55.36 54.86 1k83 s GLN 427 Cb -0.59 -1.44 -0.15 0.00 1.00 0.00 0.00 33.01 31.82 1k83 s GLN 427 CO 0.58 0.38 1.21 0.66 -2.12 0.00 0.00 175.29 176.01 1k83 n TYR 428 N 2.19 1.47 0.00 0.91 0.53 -1.26 -1.19 117.16 119.81 1k83 n TYR 428 Ca -0.16 0.63 0.00 0.00 -1.02 0.00 0.00 57.90 57.35 1k83 n TYR 428 Cb 0.54 -2.32 0.00 0.00 -1.03 0.00 0.00 39.34 36.53 1k83 n TYR 428 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1k83 n GLY 429 N 2.06 2.42 3.71 2.72 0.00 -0.05 -4.97 105.19 111.09 1k83 n GLY 429 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1k83 n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k83 s TRP 430 N -2.49 2.26 0.01 1.61 0.52 -0.33 -4.61 118.94 115.90 1k83 s TRP 430 Ca 0.00 1.03 0.06 0.00 0.02 0.00 0.00 56.10 57.21 1k83 s TRP 430 Cb 0.00 -3.25 -0.02 0.00 -1.15 0.00 0.00 33.47 29.05 1k83 s TRP 430 CO 0.00 -2.64 -0.18 0.15 0.02 0.00 0.00 176.95 174.30 1k83 s LYS 431 N -5.02 1.40 -0.17 4.98 1.02 -0.10 0.20 119.74 122.04 1k83 s LYS 431 Ca 0.64 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.91 1k83 s LYS 431 Cb -0.18 -1.40 0.02 0.00 -0.52 0.00 0.00 37.83 35.76 1k83 s LYS 431 CO 0.57 0.37 -0.19 0.08 -0.92 0.00 0.00 175.35 175.25 1k83 s VAL 432 N -0.56 2.00 -0.86 3.17 1.01 -0.77 -0.13 120.40 124.26 1k83 s VAL 432 Ca 0.07 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 1k83 s VAL 432 Cb -0.08 -1.81 0.07 0.00 0.00 0.00 0.00 36.38 34.57 1k83 s VAL 432 CO 0.00 0.53 1.22 -1.61 0.00 0.00 0.00 175.10 175.24 1k83 s GLU 433 N 1.29 3.41 0.51 2.72 2.02 0.29 -1.51 118.70 127.43 1k83 s GLU 433 Ca 0.04 -1.08 -0.00 0.00 0.02 0.00 0.00 54.97 53.94 1k83 s GLU 433 Cb -0.13 -4.77 0.01 0.00 0.10 0.00 0.00 34.13 29.35 1k83 s GLU 433 CO -0.12 -1.98 0.75 -0.98 0.02 0.00 0.00 175.26 172.95 1k83 s ARG 434 N 4.24 2.82 0.61 1.61 1.70 -1.10 -0.44 118.95 128.38 1k83 s ARG 434 Ca 0.35 -0.53 -0.16 0.00 -0.47 0.00 0.00 55.73 54.92 1k83 s ARG 434 Cb -0.07 -2.48 -0.03 0.00 -0.57 0.00 0.00 34.95 31.80 1k83 s ARG 434 CO -0.01 -0.52 1.07 -1.01 -1.08 0.00 0.00 175.30 173.74 1k83 s HIS 435 N -2.71 2.93 0.17 5.89 3.76 -0.35 -0.17 115.29 124.81 1k83 s HIS 435 Ca 0.53 1.52 -0.30 0.00 -0.15 0.00 0.00 55.06 56.65 1k83 s HIS 435 Cb -0.10 -3.03 -0.08 0.00 1.11 0.00 0.00 32.58 30.47 1k83 s HIS 435 CO 0.39 -1.21 1.30 0.96 -0.85 0.00 0.00 174.74 175.33 1k83 s ILE 436 N -2.44 3.33 0.45 0.60 -4.36 -0.89 -4.72 121.20 113.16 1k83 s ILE 436 Ca 0.64 1.06 0.03 0.00 -0.26 0.00 0.00 60.65 62.12 1k83 s ILE 436 Cb -0.17 -3.68 0.03 0.00 1.25 0.00 0.00 42.46 39.89 1k83 s ILE 436 CO 0.38 0.14 0.22 0.23 0.24 0.00 0.00 174.94 176.15 1k83 n MET 437 N 2.91 0.87 -1.75 0.37 2.81 -1.26 -4.90 117.12 116.17 1k83 n MET 437 Ca 0.07 -2.95 -0.42 0.00 -1.81 0.00 0.00 57.70 52.60 1k83 n MET 437 Cb 0.43 0.49 -0.02 0.00 -0.71 0.00 0.00 33.22 33.41 1k83 n MET 437 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1k83 s ASP 438 N -3.56 6.36 0.00 7.83 1.11 -1.26 -2.90 116.67 124.25 1k83 s ASP 438 Ca 0.17 2.93 0.00 0.00 0.18 0.00 0.00 52.55 55.83 1k83 s ASP 438 Cb -0.01 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.35 1k83 s ASP 438 CO 0.11 -0.94 0.00 0.59 1.18 0.00 0.00 175.17 176.10 1k83 n ASN 439 N 2.78 -1.35 -4.75 0.27 3.02 0.11 -4.89 115.26 110.44 1k83 n ASN 439 Ca 0.11 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 1k83 n ASN 439 Cb 0.37 -0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 1k83 n ASN 439 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1k83 s ASP 440 N -2.48 7.27 0.00 6.41 1.01 -1.14 -4.64 116.67 123.09 1k83 s ASP 440 Ca 0.00 2.23 -0.30 0.00 0.71 0.00 0.00 52.55 55.19 1k83 s ASP 440 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1k83 s ASP 440 CO 0.00 -0.16 1.06 -2.16 0.21 0.00 0.00 175.17 174.11 1k83 s PRO 441 N -1.16 4.50 0.06 8.23 0.04 -1.26 -2.34 135.00 143.07 1k83 s PRO 441 Ca 0.46 1.53 0.05 0.00 0.04 0.00 0.00 61.00 63.07 1k83 s PRO 441 Cb -0.31 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 1k83 s PRO 441 CO 0.39 -0.16 -0.13 0.14 0.04 0.00 0.00 177.00 177.29 1k83 s VAL 442 N 1.20 1.00 -0.34 -0.36 -7.23 0.48 -4.36 120.40 110.80 1k83 s VAL 442 Ca 0.54 -1.21 -0.22 0.00 -1.81 0.00 0.00 61.98 59.28 1k83 s VAL 442 Cb -0.23 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.74 1k83 s VAL 442 CO 0.27 -0.22 0.74 -0.22 -0.31 0.00 0.00 175.10 175.36 1k83 s LEU 443 N -1.60 4.14 -0.11 1.32 2.96 0.30 0.39 118.68 126.07 1k83 s LEU 443 Ca -0.03 0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.28 1k83 s LEU 443 Cb -0.10 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 1k83 s LEU 443 CO 0.02 -0.63 0.01 0.12 -1.32 0.00 0.00 176.35 174.54 1k83 s PHE 444 N 2.91 3.17 -0.08 5.38 5.36 -0.01 0.19 117.98 134.90 1k83 s PHE 444 Ca 0.29 0.11 -0.17 0.00 -0.96 0.00 0.00 56.93 56.21 1k83 s PHE 444 Cb -0.14 -1.86 0.04 0.00 -0.34 0.00 0.00 43.02 40.72 1k83 s PHE 444 CO 0.14 0.35 0.40 1.21 -1.46 0.00 0.00 175.22 175.87 1k83 s ASN 445 N -0.52 -0.35 -0.14 6.13 3.84 0.16 -1.90 114.94 122.16 1k83 s ASN 445 Ca 0.09 0.48 0.02 0.00 0.21 0.00 0.00 52.86 53.65 1k83 s ASN 445 Cb -0.12 0.57 0.02 0.00 -0.55 0.00 0.00 41.25 41.16 1k83 s ASN 445 CO 0.02 -0.34 -0.18 -0.60 -2.79 0.00 0.00 177.10 173.21 1k83 s ARG 446 N -0.66 2.67 0.41 0.43 3.52 -1.07 -0.96 118.95 123.27 1k83 s ARG 446 Ca -0.08 -0.72 -0.14 0.00 -0.13 0.00 0.00 55.73 54.67 1k83 s ARG 446 Cb -0.04 -2.25 -0.08 0.00 -1.56 0.00 0.00 34.95 31.02 1k83 s ARG 446 CO 0.03 -0.10 0.83 -0.65 -0.81 0.00 0.00 175.30 174.60 1k83 s GLN 447 N 1.07 3.91 0.18 5.12 -0.21 -1.26 -3.55 119.66 124.92 1k83 s GLN 447 Ca -0.02 0.68 -0.30 0.00 0.02 0.00 0.00 55.36 55.74 1k83 s GLN 447 Cb -0.14 -2.32 -0.08 0.00 1.00 0.00 0.00 33.01 31.47 1k83 s GLN 447 CO -0.06 -0.04 1.04 -1.25 -2.12 0.00 0.00 175.29 172.87 1k83 s PRO 448 N -3.63 4.66 -0.57 2.91 0.04 -1.26 -5.05 135.00 132.10 1k83 s PRO 448 Ca 0.55 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 1k83 s PRO 448 Cb -0.10 -3.29 0.14 0.00 0.04 0.00 0.00 34.50 31.29 1k83 s PRO 448 CO 0.26 0.19 0.52 -1.54 0.04 0.00 0.00 177.00 176.47 1k83 s SER 449 N -0.31 6.21 0.00 6.66 1.04 -1.23 -4.83 113.70 121.24 1k83 s SER 449 Ca 0.47 -1.94 0.16 0.00 0.48 0.00 0.00 55.95 55.13 1k83 s SER 449 Cb -0.28 -2.19 0.42 0.00 0.10 0.00 0.00 66.02 64.08 1k83 s SER 449 CO 0.34 -0.80 1.34 0.18 0.98 0.00 0.00 173.24 175.28 1k83 n LEU 450 N 5.02 3.28 -4.35 2.42 4.32 -1.26 -4.95 117.00 121.48 1k83 n LEU 450 Ca -0.09 -1.85 -0.18 0.00 -0.02 0.00 0.00 56.01 53.86 1k83 n LEU 450 Cb 0.41 -0.30 -0.10 0.00 -1.62 0.00 0.00 43.42 41.81 1k83 n LEU 450 CO 0.50 0.79 -0.41 -1.00 -1.22 0.00 0.00 177.39 176.05 1k83 s HIS 451 N -1.06 1.68 -0.02 -1.77 3.76 -1.26 -4.44 115.29 112.18 1k83 s HIS 451 Ca 0.33 -0.65 0.08 0.00 -0.15 0.00 0.00 55.06 54.67 1k83 s HIS 451 Cb 0.18 -0.84 -0.24 0.00 1.11 0.00 0.00 32.58 32.79 1k83 s HIS 451 CO 0.24 0.28 0.75 1.57 -0.85 0.00 0.00 174.74 176.72 1k83 h LYS 452 N 2.53 0.06 0.00 1.40 2.10 -1.93 -3.19 116.57 117.54 1k83 h LYS 452 Ca -0.38 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1k83 h LYS 452 Cb 1.22 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1k83 h LYS 452 CO 0.63 0.72 0.00 -1.33 -2.00 0.00 0.00 179.45 177.47 1k83 n MET 453 N -3.19 0.25 -0.27 0.07 2.81 -1.26 -0.94 117.12 114.59 1k83 n MET 453 Ca -0.16 0.01 0.10 0.00 -1.81 0.00 0.00 57.70 55.84 1k83 n MET 453 Cb 1.03 -1.50 0.25 0.00 -0.71 0.00 0.00 33.22 32.30 1k83 n MET 453 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1k83 n SER 454 N -1.01 3.57 -3.43 7.83 3.41 -1.21 -4.43 113.62 118.35 1k83 n SER 454 Ca 0.06 -1.98 -0.28 0.00 -0.26 0.00 0.00 58.87 56.42 1k83 n SER 454 Cb 0.03 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 63.51 1k83 n SER 454 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1k83 s MET 455 N -1.13 0.62 0.21 4.33 -1.94 -0.11 -2.61 119.30 118.67 1k83 s MET 455 Ca 0.40 -1.43 0.11 0.00 -1.71 0.00 0.00 55.69 53.05 1k83 s MET 455 Cb 0.22 -1.26 -0.04 0.00 2.01 0.00 0.00 34.83 35.75 1k83 s MET 455 CO 0.29 -1.24 -0.18 -1.64 -0.01 0.00 0.00 175.02 172.24 1k83 s MET 456 N 0.91 1.75 0.13 2.03 1.00 -0.80 -4.92 119.30 119.40 1k83 s MET 456 Ca 0.21 -1.50 -0.27 0.00 0.00 0.00 0.00 55.69 54.13 1k83 s MET 456 Cb -0.17 -1.93 -0.07 0.00 0.00 0.00 0.00 34.83 32.65 1k83 s MET 456 CO -0.03 0.39 0.83 0.00 0.00 0.00 0.00 175.02 176.21 1k83 s ALA 457 N -1.91 3.37 0.27 3.03 0.00 -0.94 -0.83 121.76 124.76 1k83 s ALA 457 Ca 0.25 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.67 1k83 s ALA 457 Cb -0.07 -3.07 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 1k83 s ALA 457 CO 0.13 0.15 -0.00 -1.01 0.00 0.00 0.00 175.76 175.03 1k83 s HIS 458 N -0.62 1.81 -0.19 0.00 3.76 0.16 -2.01 115.29 118.20 1k83 s HIS 458 Ca 0.39 -0.86 -0.09 0.00 -0.15 0.00 0.00 55.06 54.35 1k83 s HIS 458 Cb -0.23 -1.09 -0.05 0.00 1.11 0.00 0.00 32.58 32.33 1k83 s HIS 458 CO 0.27 0.07 0.10 1.03 -0.85 0.00 0.00 174.74 175.36 1k83 s ARG 459 N -3.83 4.07 0.42 1.40 0.52 -0.07 -0.39 118.95 121.08 1k83 s ARG 459 Ca 0.31 -0.27 -0.24 0.00 -0.52 0.00 0.00 55.73 55.02 1k83 s ARG 459 Cb 0.06 -3.33 -0.08 0.00 0.52 0.00 0.00 34.95 32.12 1k83 s ARG 459 CO 0.12 0.31 1.14 0.08 0.02 0.00 0.00 175.30 176.97 1k83 s VAL 460 N 0.30 3.27 -0.32 3.52 1.01 -0.99 -1.40 120.40 125.80 1k83 s VAL 460 Ca 0.06 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 63.03 1k83 s VAL 460 Cb -0.12 -3.53 0.13 0.00 0.00 0.00 0.00 36.38 32.86 1k83 s VAL 460 CO -0.01 0.03 0.22 -0.75 0.00 0.00 0.00 175.10 174.59 1k83 s LYS 461 N -2.50 0.39 0.23 2.72 2.36 -0.86 -0.71 119.74 121.37 1k83 s LYS 461 Ca 0.60 -0.77 -0.30 0.00 -2.55 0.00 0.00 55.97 52.95 1k83 s LYS 461 Cb -0.28 -1.06 -0.10 0.00 -1.05 0.00 0.00 37.83 35.35 1k83 s LYS 461 CO 0.34 -1.11 1.38 0.08 1.55 0.00 0.00 175.35 177.59 1k83 s VAL 462 N 1.72 2.90 0.17 4.02 1.01 -1.26 -1.25 120.40 127.70 1k83 s VAL 462 Ca 0.13 0.76 -0.04 0.00 0.00 0.00 0.00 61.98 62.83 1k83 s VAL 462 Cb -0.18 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1k83 s VAL 462 CO -0.19 0.12 0.16 0.27 0.00 0.00 0.00 175.10 175.46 1k83 s ILE 463 N -0.02 0.06 0.00 2.22 -4.36 -0.81 -4.87 121.20 113.42 1k83 s ILE 463 Ca 0.58 -1.77 0.00 0.00 -0.26 0.00 0.00 60.65 59.19 1k83 s ILE 463 Cb -0.39 -2.14 0.00 0.00 1.25 0.00 0.00 42.46 41.18 1k83 s ILE 463 CO 0.41 -0.26 0.00 -0.81 0.24 0.00 0.00 174.94 174.53 1k83 n PRO 464 N -0.19 0.98 0.00 0.37 -0.04 -1.26 0.73 135.00 135.59 1k83 n PRO 464 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1k83 n PRO 464 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 1k83 n PRO 464 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1k83 n TYR 465 N 0.00 0.00 0.00 0.54 4.02 -1.26 -3.78 117.16 116.68 1k83 n TYR 465 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1k83 n TYR 465 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1k83 n TYR 465 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1k83 n SER 466 N 0.00 -0.61 -1.37 7.72 3.41 -1.26 -4.57 113.62 116.94 1k83 n SER 466 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1k83 n SER 466 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1k83 n SER 466 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1k83 n THR 467 N -1.56 -4.73 -2.31 6.66 -2.24 -1.26 -4.79 114.28 104.05 1k83 n THR 467 Ca 0.00 2.07 -0.31 0.00 -2.27 0.00 0.00 64.05 63.54 1k83 n THR 467 Cb 0.00 -2.85 -0.02 0.00 -2.10 0.00 0.00 70.33 65.35 1k83 n THR 467 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1k83 s PHE 468 N -3.12 3.51 -0.04 4.78 2.99 -0.41 -4.21 117.98 121.48 1k83 s PHE 468 Ca 0.00 1.35 0.02 0.00 0.00 0.00 0.00 56.93 58.30 1k83 s PHE 468 Cb 0.00 -2.72 0.01 0.00 0.00 0.00 0.00 43.02 40.31 1k83 s PHE 468 CO 0.00 -0.43 -0.09 1.03 -0.00 0.00 0.00 175.22 175.74 1k83 s ARG 469 N -4.37 1.13 0.23 0.44 0.52 -0.71 -1.14 118.95 115.05 1k83 s ARG 469 Ca 0.57 -0.28 0.11 0.00 -0.52 0.00 0.00 55.73 55.61 1k83 s ARG 469 Cb -0.10 -1.03 -0.05 0.00 0.52 0.00 0.00 34.95 34.30 1k83 s ARG 469 CO 0.38 0.04 -0.21 -0.51 0.02 0.00 0.00 175.30 175.02 1k83 s LEU 470 N 0.52 2.55 0.31 2.53 1.43 -0.75 -0.56 118.68 124.71 1k83 s LEU 470 Ca -0.09 -0.91 -0.28 0.00 -1.03 0.00 0.00 54.13 51.82 1k83 s LEU 470 Cb -0.12 -1.19 -0.09 0.00 0.03 0.00 0.00 46.19 44.82 1k83 s LEU 470 CO 0.01 0.08 1.11 0.21 0.23 0.00 0.00 176.35 177.99 1k83 s ASN 471 N -3.04 7.10 0.65 2.29 3.84 -1.26 -0.21 114.94 124.31 1k83 s ASN 471 Ca 0.25 2.26 0.43 0.00 0.21 0.00 0.00 52.86 56.01 1k83 s ASN 471 Cb -0.07 -2.62 2.32 0.00 -0.55 0.00 0.00 41.25 40.33 1k83 s ASN 471 CO 0.12 -0.26 2.34 -0.07 -2.79 0.00 0.00 177.10 176.44 1k83 h LEU 472 N 3.47 0.00 -0.08 3.21 4.07 -1.92 -2.71 115.31 121.36 1k83 h LEU 472 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1k83 h LEU 472 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1k83 h LEU 472 CO 0.66 0.00 -0.18 -1.20 -1.08 0.00 0.00 178.44 176.64 1k83 n SER 473 N -3.12 0.31 -0.78 -0.43 7.64 -1.26 -3.04 113.62 112.94 1k83 n SER 473 Ca -0.03 -0.10 0.12 0.00 1.01 0.00 0.00 58.87 59.88 1k83 n SER 473 Cb 0.09 -0.13 0.31 0.00 -1.01 0.00 0.00 64.21 63.47 1k83 n SER 473 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1k83 n VAL 474 N -1.31 0.22 -0.08 0.44 3.14 -1.02 -4.27 118.33 115.45 1k83 n VAL 474 Ca 0.09 -0.47 -0.12 0.00 -2.96 0.00 0.00 64.34 60.88 1k83 n VAL 474 Cb 0.32 0.76 -0.05 0.00 -1.06 0.00 0.00 33.84 33.80 1k83 n VAL 474 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1k83 h THR 475 N 3.30 1.31 -0.29 1.55 2.02 -1.67 -3.30 112.91 115.83 1k83 h THR 475 Ca 0.00 -1.25 -0.09 0.00 0.77 0.00 0.00 66.41 65.84 1k83 h THR 475 Cb 0.72 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1k83 h THR 475 CO 0.00 0.39 -0.17 0.77 0.37 0.00 0.00 175.52 176.87 1k83 h SER 476 N 0.24 0.65 0.18 4.18 4.64 -1.81 -1.48 113.55 120.15 1k83 h SER 476 Ca 0.05 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1k83 h SER 476 Cb 0.66 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1k83 h SER 476 CO 0.04 0.94 0.00 -0.81 -0.87 0.00 0.00 176.83 176.13 1k83 n PRO 477 N -4.38 0.01 -0.00 4.77 -0.04 -1.25 -0.66 135.00 133.45 1k83 n PRO 477 Ca -0.03 0.43 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 1k83 n PRO 477 Cb 0.39 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1k83 n PRO 477 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1k83 n TYR 478 N -1.56 0.00 -3.70 0.54 4.02 -1.06 -3.82 117.16 111.58 1k83 n TYR 478 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.61 1k83 n TYR 478 Cb 0.06 -0.02 0.03 0.00 -0.02 0.00 0.00 39.34 39.39 1k83 n TYR 478 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1k83 n ASN 479 N -1.38 -4.19 -4.28 7.72 4.05 0.17 -4.88 115.26 112.46 1k83 n ASN 479 Ca 0.02 -0.98 -0.23 0.00 0.45 0.00 0.00 54.58 53.85 1k83 n ASN 479 Cb 0.23 -3.50 -0.12 0.00 1.23 0.00 0.00 39.78 37.62 1k83 n ASN 479 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1k83 s ALA 480 N -3.56 1.75 0.09 5.20 0.00 -0.99 -5.06 121.76 119.19 1k83 s ALA 480 Ca 0.35 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 1k83 s ALA 480 Cb -0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1k83 s ALA 480 CO 0.85 0.31 0.08 0.16 0.00 0.00 0.00 175.76 177.16 1k83 s ASP 481 N -2.03 0.31 -0.75 0.00 -4.77 -1.26 -4.75 116.67 103.42 1k83 s ASP 481 Ca 0.07 -0.94 -0.02 0.00 -3.30 0.00 0.00 52.55 48.35 1k83 s ASP 481 Cb -0.09 0.28 0.27 0.00 -1.09 0.00 0.00 42.92 42.29 1k83 s ASP 481 CO 0.04 -0.69 2.22 0.49 0.70 0.00 0.00 175.17 177.93 1k83 n PHE 482 N -0.01 2.62 -1.02 2.11 3.01 -1.26 -3.80 117.46 119.11 1k83 n PHE 482 Ca -0.12 -2.23 0.06 0.00 1.01 0.00 0.00 57.45 56.18 1k83 n PHE 482 Cb 0.62 -1.24 0.29 0.00 -0.01 0.00 0.00 39.48 39.14 1k83 n PHE 482 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1k83 n ASP 483 N -0.16 4.22 0.00 4.37 3.85 -1.26 -4.84 116.55 122.73 1k83 n ASP 483 Ca 0.53 -3.08 0.00 0.00 -0.71 0.00 0.00 54.79 51.53 1k83 n ASP 483 Cb 0.31 -0.60 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 1k83 n ASP 483 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1k83 n GLY 484 N -0.32 0.19 3.71 6.12 0.00 -1.26 -5.13 105.19 108.49 1k83 n GLY 484 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1k83 n GLY 484 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k83 n ASP 485 N 0.00 1.86 -4.31 1.61 10.43 -1.25 -4.87 116.55 120.03 1k83 n ASP 485 Ca 0.00 0.84 -0.24 0.00 2.57 0.00 0.00 54.79 57.96 1k83 n ASP 485 Cb 0.00 -1.52 -0.12 0.00 1.84 0.00 0.00 41.12 41.31 1k83 n ASP 485 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1k83 s GLU 486 N -3.19 1.18 0.07 -1.24 2.02 -1.26 -1.93 118.70 114.34 1k83 s GLU 486 Ca 0.80 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 54.57 1k83 s GLU 486 Cb -0.39 -1.42 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 1k83 s GLU 486 CO 0.42 0.32 -0.06 -1.64 0.02 0.00 0.00 175.26 174.32 1k83 s MET 487 N -2.12 0.68 -0.08 1.61 -1.94 -0.56 -4.71 119.30 112.17 1k83 s MET 487 Ca 0.09 -1.11 -0.04 0.00 -1.71 0.00 0.00 55.69 52.91 1k83 s MET 487 Cb -0.09 -0.14 -0.04 0.00 2.01 0.00 0.00 34.83 36.58 1k83 s MET 487 CO 0.05 -0.02 0.12 -0.80 -0.01 0.00 0.00 175.02 174.36 1k83 s ASN 488 N -2.53 6.09 -0.18 3.03 0.01 -0.14 -2.77 114.94 118.45 1k83 s ASN 488 Ca 0.03 0.35 0.01 0.00 -0.71 0.00 0.00 52.86 52.54 1k83 s ASN 488 Cb 0.01 -1.89 0.04 0.00 0.41 0.00 0.00 41.25 39.81 1k83 s ASN 488 CO -0.04 0.36 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.59 1k83 s LEU 489 N -1.26 2.04 -0.12 0.60 0.20 0.06 -0.67 118.68 119.53 1k83 s LEU 489 Ca 0.18 -0.77 -0.05 0.00 0.69 0.00 0.00 54.13 54.18 1k83 s LEU 489 Cb -0.12 -1.16 -0.04 0.00 -0.43 0.00 0.00 46.19 44.44 1k83 s LEU 489 CO 0.08 -0.14 0.05 -1.00 -0.29 0.00 0.00 176.35 175.05 1k83 s HIS 490 N 1.46 3.27 -0.35 5.38 3.76 0.13 -1.55 115.29 127.38 1k83 s HIS 490 Ca 0.00 0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 55.01 1k83 s HIS 490 Cb -0.15 -1.91 0.01 0.00 1.11 0.00 0.00 32.58 31.64 1k83 s HIS 490 CO -0.09 0.42 0.19 0.08 -0.85 0.00 0.00 174.74 174.50 1k83 s VAL 491 N -0.52 4.64 0.24 -0.90 1.01 -0.21 -0.54 120.40 124.13 1k83 s VAL 491 Ca 0.10 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 1k83 s VAL 491 Cb -0.12 -3.51 -0.13 0.00 0.00 0.00 0.00 36.38 32.62 1k83 s VAL 491 CO 0.02 -0.13 1.42 -0.81 0.00 0.00 0.00 175.10 175.60 1k83 n PRO 492 N 5.00 2.09 0.00 2.72 -0.04 -1.26 -4.90 135.00 138.61 1k83 n PRO 492 Ca -0.12 0.74 0.12 0.00 -0.04 0.00 0.00 63.50 64.20 1k83 n PRO 492 Cb 0.47 -2.41 0.10 0.00 -0.04 0.00 0.00 33.50 31.62 1k83 n PRO 492 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1k83 n GLN 493 N 2.06 2.27 -4.31 0.54 -0.06 -1.26 -4.86 117.38 111.76 1k83 n GLN 493 Ca 0.11 -1.88 -0.19 0.00 -2.00 0.00 0.00 57.00 53.05 1k83 n GLN 493 Cb 0.32 -1.46 -0.09 0.00 -4.06 0.00 0.00 30.24 24.95 1k83 n GLN 493 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1k83 s SER 494 N -2.02 1.51 0.02 1.69 1.04 -1.26 -4.68 113.70 109.99 1k83 s SER 494 Ca 0.28 -1.63 -0.19 0.00 0.48 0.00 0.00 55.95 54.89 1k83 s SER 494 Cb 0.20 0.47 -0.20 0.00 0.10 0.00 0.00 66.02 66.58 1k83 s SER 494 CO 0.31 -0.95 1.17 -0.08 0.98 0.00 0.00 173.24 174.66 1k83 h GLU 495 N 2.20 0.44 -0.42 4.02 4.57 -1.94 -1.67 114.58 121.77 1k83 h GLU 495 Ca -0.31 -0.39 -0.09 0.00 -1.18 0.00 0.00 59.36 57.39 1k83 h GLU 495 Cb 1.24 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.91 1k83 h GLU 495 CO 0.46 1.04 -0.12 0.93 -1.18 0.00 0.00 179.01 180.15 1k83 h GLU 496 N -0.03 0.75 -0.56 1.92 3.07 -2.00 -2.55 114.58 115.17 1k83 h GLU 496 Ca -0.05 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.36 58.52 1k83 h GLU 496 Cb 1.17 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 1k83 h GLU 496 CO 0.10 0.84 0.16 1.15 -1.40 0.00 0.00 179.01 179.86 1k83 h THR 497 N 0.68 1.24 -0.06 1.13 2.02 -1.97 -1.33 112.91 114.63 1k83 h THR 497 Ca 0.12 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.49 1k83 h THR 497 Cb 0.59 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1k83 h THR 497 CO 0.04 0.31 -0.13 0.03 0.37 0.00 0.00 175.52 176.14 1k83 h ARG 498 N 0.80 -0.18 -0.20 6.66 3.08 -1.03 -2.39 114.38 121.11 1k83 h ARG 498 Ca 0.18 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.27 1k83 h ARG 498 Cb 0.31 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1k83 h ARG 498 CO -0.00 -0.12 0.01 0.00 -1.07 0.00 0.00 179.97 178.78 1k83 h ALA 499 N 0.82 0.18 -0.95 0.04 0.00 -1.31 -2.25 119.26 115.80 1k83 h ALA 499 Ca 0.06 0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.23 1k83 h ALA 499 Cb 0.28 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 1k83 h ALA 499 CO -0.17 -0.42 0.51 1.49 0.00 0.00 0.00 179.25 180.66 1k83 h GLU 500 N 0.08 0.56 0.18 0.00 4.81 -0.90 -0.46 114.58 118.85 1k83 h GLU 500 Ca 0.09 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1k83 h GLU 500 Cb 0.11 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1k83 h GLU 500 CO -0.15 0.37 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.35 1k83 h LEU 501 N 0.58 -0.20 0.00 1.64 3.38 -0.92 -2.29 115.31 117.50 1k83 h LEU 501 Ca 0.57 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1k83 h LEU 501 Cb 1.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1k83 h LEU 501 CO -0.45 0.27 0.00 -1.54 0.09 0.00 0.00 178.44 176.81 1k83 n SER 502 N -4.98 0.00 -0.00 -0.43 3.41 -0.91 -0.15 113.62 110.56 1k83 n SER 502 Ca -0.09 -0.54 0.02 0.00 -0.26 0.00 0.00 58.87 58.01 1k83 n SER 502 Cb 0.26 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1k83 n SER 502 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k83 n GLN 503 N -1.08 3.59 0.00 4.33 3.00 -0.23 -4.61 117.38 122.39 1k83 n GLN 503 Ca 0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1k83 n GLN 503 Cb 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 30.24 29.51 1k83 n GLN 503 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1k83 n LEU 504 N -1.30 0.22 0.05 1.08 4.32 -0.86 -4.89 117.00 115.62 1k83 n LEU 504 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.11 1k83 n LEU 504 Cb 0.08 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1k83 n LEU 504 CO 0.08 -0.08 -0.08 0.00 -1.22 0.00 0.00 177.39 176.10 1k83 n ALA 506 N -2.00 -3.10 -0.27 0.00 0.00 -0.20 -2.20 120.51 112.74 1k83 n ALA 506 Ca 0.01 0.49 0.06 0.00 0.00 0.00 0.00 53.44 54.00 1k83 n ALA 506 Cb 0.49 -1.45 0.18 0.00 0.00 0.00 0.00 19.45 18.67 1k83 n ALA 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k83 h VAL 507 N 2.43 0.32 -0.83 0.00 2.07 -1.75 -1.13 116.25 117.36 1k83 h VAL 507 Ca -0.42 -0.04 0.12 0.00 0.82 0.00 0.00 66.70 67.19 1k83 h VAL 507 Cb 1.18 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 1k83 h VAL 507 CO 0.54 0.02 0.44 -0.65 0.02 0.00 0.00 177.57 177.94 1k83 h PRO 508 N 0.12 0.66 0.00 1.57 0.11 -1.88 0.13 132.00 132.71 1k83 h PRO 508 Ca 0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1k83 h PRO 508 Cb 0.79 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1k83 h PRO 508 CO -0.67 0.44 0.00 1.28 -0.21 0.00 0.00 178.00 178.84 1k83 n LEU 509 N -4.82 0.00 -0.33 2.35 4.77 -0.43 -2.10 117.00 116.44 1k83 n LEU 509 Ca 0.15 0.14 0.04 0.00 -0.03 0.00 0.00 56.01 56.31 1k83 n LEU 509 Cb 0.36 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1k83 n LEU 509 CO 0.24 -0.10 0.44 0.00 -1.33 0.00 0.00 177.39 176.64 1k83 n GLN 510 N -1.14 1.08 0.08 3.23 1.13 0.43 -4.74 117.38 117.45 1k83 n GLN 510 Ca 0.06 -1.27 -0.12 0.00 -1.94 0.00 0.00 57.00 53.73 1k83 n GLN 510 Cb 0.05 -1.15 -0.05 0.00 0.11 0.00 0.00 30.24 29.20 1k83 n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1k83 h ILE 511 N 1.34 0.48 -3.59 5.09 2.04 -1.37 -3.36 117.51 118.15 1k83 h ILE 511 Ca 0.00 0.00 -0.65 0.00 1.00 0.00 0.00 64.86 65.21 1k83 h ILE 511 Cb 0.43 0.48 -0.15 0.00 -0.74 0.00 0.00 36.82 36.84 1k83 h ILE 511 CO 0.00 0.00 0.12 -0.69 0.00 0.00 0.00 178.15 177.58 1k83 s VAL 512 N -6.08 4.86 0.11 1.67 1.01 -1.26 -0.19 120.40 120.51 1k83 s VAL 512 Ca -0.15 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 1k83 s VAL 512 Cb 0.08 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1k83 s VAL 512 CO 0.66 -0.50 0.33 -0.94 0.00 0.00 0.00 175.10 174.65 1k83 s SER 513 N 1.93 6.46 0.07 3.32 1.04 -0.68 -4.87 113.70 120.97 1k83 s SER 513 Ca 0.23 0.51 0.26 0.00 0.48 0.00 0.00 55.95 57.43 1k83 s SER 513 Cb -0.14 -2.06 1.04 0.00 0.10 0.00 0.00 66.02 64.96 1k83 s SER 513 CO 0.18 0.10 1.82 -0.81 0.98 0.00 0.00 173.24 175.50 1k83 n PRO 514 N 0.23 0.08 -0.26 4.02 -0.04 -1.26 -2.29 135.00 135.48 1k83 n PRO 514 Ca -0.04 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1k83 n PRO 514 Cb 0.52 -1.60 0.16 0.00 -0.04 0.00 0.00 33.50 32.54 1k83 n PRO 514 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1k83 h GLN 515 N 0.00 1.09 0.00 0.54 3.07 -1.91 -3.26 115.11 114.64 1k83 h GLN 515 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 58.65 58.61 1k83 h GLN 515 Cb 0.52 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 27.86 1k83 h GLN 515 CO 0.00 0.81 -0.32 0.43 0.09 0.00 0.00 178.83 179.84 1k83 n SER 516 N -4.34 0.76 -4.01 0.06 7.64 -1.25 -2.18 113.62 110.30 1k83 n SER 516 Ca 0.08 -2.30 -0.39 0.00 1.01 0.00 0.00 58.87 57.27 1k83 n SER 516 Cb 0.10 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1k83 n SER 516 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1k83 n ASN 517 N -0.46 -3.17 -3.65 6.43 0.23 -0.97 -4.75 115.26 108.93 1k83 n ASN 517 Ca 0.05 -1.20 -0.05 0.00 -0.53 0.00 0.00 54.58 52.85 1k83 n ASN 517 Cb 0.67 -2.21 -0.02 0.00 -2.08 0.00 0.00 39.78 36.14 1k83 n ASN 517 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1k83 s LYS 518 N -7.00 0.99 0.60 -3.83 -2.85 -1.16 -4.74 119.74 101.74 1k83 s LYS 518 Ca 0.36 -0.49 -0.20 0.00 -1.00 0.00 0.00 55.97 54.64 1k83 s LYS 518 Cb -0.18 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 1k83 s LYS 518 CO 0.94 -0.45 1.33 -0.35 0.10 0.00 0.00 175.35 176.93 1k83 n PRO 519 N -0.38 1.42 -0.12 1.78 -0.04 -1.26 -1.69 135.00 134.70 1k83 n PRO 519 Ca -0.07 0.54 0.04 0.00 -0.04 0.00 0.00 63.50 63.96 1k83 n PRO 519 Cb 0.61 -2.56 0.10 0.00 -0.04 0.00 0.00 33.50 31.61 1k83 n PRO 519 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k83 s MET 521 N -1.19 0.13 0.35 0.00 -1.94 -1.25 -4.11 119.30 111.28 1k83 s MET 521 Ca 0.16 0.36 -0.07 0.00 -1.71 0.00 0.00 55.69 54.42 1k83 s MET 521 Cb 0.10 -0.11 0.02 0.00 2.01 0.00 0.00 34.83 36.84 1k83 s MET 521 CO 0.09 -0.13 0.57 0.20 -0.01 0.00 0.00 175.02 175.74 1k83 s GLY 522 N 0.93 1.08 0.06 -0.03 0.00 -1.26 -4.56 107.32 103.53 1k83 s GLY 522 Ca -0.07 -1.23 -0.31 0.00 0.00 0.00 0.00 44.72 43.11 1k83 s GLY 522 CO -0.05 -0.76 1.20 -0.42 0.00 0.00 0.00 173.10 173.07 1k83 s ILE 523 N -2.92 4.04 0.02 0.90 1.01 -0.73 -4.62 121.20 118.90 1k83 s ILE 523 Ca 0.25 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.37 1k83 s ILE 523 Cb -0.02 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 1k83 s ILE 523 CO 0.17 0.11 0.01 1.33 0.00 0.00 0.00 174.94 176.56 1k83 n VAL 524 N 3.95 0.00 0.00 2.92 0.24 -1.26 -4.56 118.33 119.62 1k83 n VAL 524 Ca 0.09 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1k83 n VAL 524 Cb 0.46 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1k83 n VAL 524 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k83 n GLN 525 N -0.04 0.00 0.05 7.34 1.13 -1.26 -2.13 117.38 122.47 1k83 n GLN 525 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 1k83 n GLN 525 Cb 0.03 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.31 1k83 n GLN 525 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1k83 h ASP 526 N 0.00 -0.02 -0.06 1.08 5.19 -1.99 -2.26 116.42 118.36 1k83 h ASP 526 Ca 0.00 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1k83 h ASP 526 Cb 0.00 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1k83 h ASP 526 CO 0.00 0.01 -0.01 0.74 -3.12 0.00 0.00 179.24 176.87 1k83 h THR 527 N -0.06 1.10 -0.01 0.35 2.02 -1.83 0.60 112.91 115.08 1k83 h THR 527 Ca -0.00 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1k83 h THR 527 Cb 0.05 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1k83 h THR 527 CO 0.00 0.12 -0.01 0.25 0.37 0.00 0.00 175.52 176.25 1k83 h LEU 528 N 0.19 0.03 -1.03 2.58 5.85 -1.26 0.15 115.31 121.82 1k83 h LEU 528 Ca 0.05 -0.52 0.04 0.00 0.84 0.00 0.00 57.88 58.29 1k83 h LEU 528 Cb 0.15 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1k83 h LEU 528 CO 0.00 0.54 0.65 0.00 -0.34 0.00 0.00 178.44 179.29 1k83 h GLY 530 N 1.23 0.50 2.00 0.00 0.00 -0.84 -3.21 103.07 102.75 1k83 h GLY 530 Ca 0.40 -1.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 1k83 h GLY 530 CO -0.13 0.97 -0.06 1.19 0.00 0.00 0.00 176.54 178.51 1k83 h ILE 531 N 0.18 0.99 0.45 2.60 2.10 -0.44 0.13 117.51 123.52 1k83 h ILE 531 Ca -0.15 -0.20 -0.02 0.00 1.08 0.00 0.00 64.86 65.57 1k83 h ILE 531 Cb 1.88 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 38.72 1k83 h ILE 531 CO 0.21 0.06 -0.22 -0.09 -1.08 0.00 0.00 178.15 177.03 1k83 h ARG 532 N 0.00 -0.58 -0.88 2.19 2.43 -1.49 -2.73 114.38 113.32 1k83 h ARG 532 Ca -0.00 0.04 0.21 0.00 -0.81 0.00 0.00 59.98 59.42 1k83 h ARG 532 Cb 0.10 0.13 -0.12 0.00 -0.42 0.00 0.00 29.97 29.66 1k83 h ARG 532 CO 0.01 -0.39 0.38 0.87 -1.51 0.00 0.00 179.97 179.33 1k83 h LYS 533 N -1.05 0.39 0.00 0.20 1.57 -1.49 0.44 116.57 116.63 1k83 h LYS 533 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1k83 h LYS 533 Cb 0.46 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1k83 h LYS 533 CO 0.10 0.26 0.00 1.25 -0.57 0.00 0.00 179.45 180.49 1k83 h LEU 534 N 0.40 0.00 -0.72 2.94 5.85 -0.75 -3.07 115.31 119.96 1k83 h LEU 534 Ca 0.54 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.26 1k83 h LEU 534 Cb 1.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1k83 h LEU 534 CO -0.52 0.00 -0.53 0.41 -0.34 0.00 0.00 178.44 177.46 1k83 n THR 535 N -3.02 0.00 -0.73 1.05 -1.04 0.15 -3.71 114.28 106.98 1k83 n THR 535 Ca -0.02 -0.23 -0.31 0.00 -2.04 0.00 0.00 64.05 61.45 1k83 n THR 535 Cb 0.15 1.17 0.16 0.00 -1.82 0.00 0.00 70.33 70.00 1k83 n THR 535 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1k83 n LEU 536 N -0.40 3.36 -0.24 -4.42 4.77 -1.09 -4.65 117.00 114.33 1k83 n LEU 536 Ca 0.07 0.44 -0.08 0.00 -0.03 0.00 0.00 56.01 56.41 1k83 n LEU 536 Cb 0.39 -1.47 0.04 0.00 -2.33 0.00 0.00 43.42 40.04 1k83 n LEU 536 CO 0.28 -2.15 0.92 0.03 -1.33 0.00 0.00 177.39 175.15 1k83 h ARG 537 N -1.77 1.09 -0.30 3.23 3.08 -1.94 -2.88 114.38 114.90 1k83 h ARG 537 Ca -0.43 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.34 1k83 h ARG 537 Cb 1.27 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1k83 h ARG 537 CO 0.41 0.98 0.00 -0.25 -1.07 0.00 0.00 179.97 180.05 1k83 n ASP 538 N -4.26 0.30 -4.26 7.04 8.00 -1.26 -4.66 116.55 117.45 1k83 n ASP 538 Ca 0.05 -0.87 -0.35 0.00 0.71 0.00 0.00 54.79 54.32 1k83 n ASP 538 Cb 0.27 -0.15 -0.14 0.00 -0.02 0.00 0.00 41.12 41.07 1k83 n ASP 538 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1k83 s THR 539 N -1.31 3.17 0.07 -3.53 2.01 -1.09 -5.08 115.64 109.89 1k83 s THR 539 Ca 0.00 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.35 1k83 s THR 539 Cb 0.00 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1k83 s THR 539 CO 0.00 0.33 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.74 1k83 s PHE 540 N 1.42 1.35 -0.02 4.92 0.40 -1.26 -2.16 117.98 122.63 1k83 s PHE 540 Ca 0.04 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 1k83 s PHE 540 Cb -0.15 -0.76 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 1k83 s PHE 540 CO -0.04 0.09 -0.20 0.42 0.70 0.00 0.00 175.22 176.18 1k83 s ILE 541 N -1.20 1.63 0.22 0.64 1.09 0.47 -4.92 121.20 119.13 1k83 s ILE 541 Ca 0.00 -0.87 -0.15 0.00 -1.10 0.00 0.00 60.65 58.54 1k83 s ILE 541 Cb -0.10 -1.36 -0.08 0.00 -1.06 0.00 0.00 42.46 39.87 1k83 s ILE 541 CO 0.03 0.46 0.63 -1.61 -0.10 0.00 0.00 174.94 174.35 1k83 s GLU 542 N -0.39 4.01 0.12 2.79 2.02 -1.26 -0.85 118.70 125.14 1k83 s GLU 542 Ca 0.06 0.57 -0.07 0.00 0.02 0.00 0.00 54.97 55.55 1k83 s GLU 542 Cb -0.09 -2.74 0.14 0.00 0.10 0.00 0.00 34.13 31.54 1k83 s GLU 542 CO -0.00 0.35 0.74 -0.11 0.02 0.00 0.00 175.26 176.26 1k83 n LEU 543 N 0.30 -0.28 -0.33 1.80 7.94 -1.26 -0.35 117.00 124.83 1k83 n LEU 543 Ca -0.01 0.83 0.03 0.00 -1.11 0.00 0.00 56.01 55.75 1k83 n LEU 543 Cb 0.52 -0.20 0.20 0.00 0.53 0.00 0.00 43.42 44.47 1k83 n LEU 543 CO 0.43 -0.76 1.26 -2.24 -1.11 0.00 0.00 177.39 174.97 1k83 h ASP 544 N 0.00 0.98 0.46 1.96 2.03 -1.95 -1.87 116.42 118.03 1k83 h ASP 544 Ca 0.18 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.18 1k83 h ASP 544 Cb 0.30 -0.21 0.01 0.00 -0.83 0.00 0.00 39.33 38.60 1k83 h ASP 544 CO -0.48 0.64 -1.41 -0.61 -1.03 0.00 0.00 179.24 176.35 1k83 h GLN 545 N 1.12 0.35 -0.61 4.15 4.15 -1.08 -3.30 115.11 119.89 1k83 h GLN 545 Ca 0.40 -0.60 0.07 0.00 0.77 0.00 0.00 58.65 59.29 1k83 h GLN 545 Cb 0.14 0.22 -0.06 0.00 0.21 0.00 0.00 27.48 28.00 1k83 h GLN 545 CO -0.15 1.26 0.31 0.28 -1.93 0.00 0.00 178.83 178.60 1k83 h VAL 546 N 0.10 0.91 -0.88 2.39 2.07 -0.98 -1.77 116.25 118.08 1k83 h VAL 546 Ca -0.21 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.20 1k83 h VAL 546 Cb 2.05 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 1k83 h VAL 546 CO 0.21 0.10 0.57 -0.07 0.02 0.00 0.00 177.57 178.41 1k83 h LEU 547 N 0.56 0.84 -0.02 2.57 3.38 -1.42 0.40 115.31 121.62 1k83 h LEU 547 Ca 0.28 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1k83 h LEU 547 Cb 0.23 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1k83 h LEU 547 CO -0.21 0.53 -0.01 0.78 0.09 0.00 0.00 178.44 179.61 1k83 h ASN 548 N 0.95 0.04 -0.49 -0.43 2.35 -1.48 -1.38 115.58 115.14 1k83 h ASN 548 Ca 0.39 -0.42 0.07 0.00 -0.55 0.00 0.00 56.30 55.79 1k83 h ASN 548 Cb 0.28 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.58 1k83 h ASN 548 CO -0.15 0.46 0.14 0.24 -1.65 0.00 0.00 177.43 176.47 1k83 h MET 549 N -0.37 0.29 -0.05 0.81 2.86 -0.62 0.22 114.93 118.07 1k83 h MET 549 Ca 0.00 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1k83 h MET 549 Cb 0.44 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1k83 h MET 549 CO 0.00 0.19 -0.04 -0.07 1.06 0.00 0.00 176.91 178.05 1k83 h LEU 550 N 0.30 -0.14 -2.57 1.22 3.38 -0.19 -2.03 115.31 115.29 1k83 h LEU 550 Ca 0.24 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1k83 h LEU 550 Cb 0.28 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1k83 h LEU 550 CO -0.27 -0.06 -0.00 0.22 0.09 0.00 0.00 178.44 178.41 1k83 h TYR 551 N -0.06 0.00 -0.25 1.13 3.20 0.01 -2.03 116.97 118.97 1k83 h TYR 551 Ca 0.04 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 1k83 h TYR 551 Cb 0.11 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1k83 h TYR 551 CO -0.14 0.00 -0.36 -1.49 -1.64 0.00 0.00 178.16 174.53 1k83 h TRP 552 N 0.00 0.65 -2.92 -3.82 4.06 0.14 -3.40 115.95 110.66 1k83 h TRP 552 Ca -0.00 -0.18 -0.57 0.00 2.06 0.00 0.00 58.89 60.20 1k83 h TRP 552 Cb 0.01 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 27.99 1k83 h TRP 552 CO 0.00 0.84 1.16 0.08 -3.56 0.00 0.00 178.44 176.97 1k83 s VAL 553 N -4.31 3.69 -0.23 1.49 1.01 -0.77 -4.88 120.40 116.40 1k83 s VAL 553 Ca -0.07 0.72 0.24 0.00 0.00 0.00 0.00 61.98 62.87 1k83 s VAL 553 Cb 0.13 -3.87 0.25 0.00 0.00 0.00 0.00 36.38 32.88 1k83 s VAL 553 CO 0.82 -0.51 1.73 1.55 0.00 0.00 0.00 175.10 178.68 1k83 h PRO 554 N 11.56 0.00 -0.71 2.72 0.13 -1.86 -2.67 132.00 141.18 1k83 h PRO 554 Ca -0.31 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.44 1k83 h PRO 554 Cb 1.14 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.05 1k83 h PRO 554 CO 1.04 0.00 0.32 -0.25 -0.23 0.00 0.00 178.00 178.88 1k83 n ASP 555 N -2.33 3.24 -4.81 1.44 8.00 -1.26 -4.99 116.55 115.84 1k83 n ASP 555 Ca -0.00 -3.70 -0.36 0.00 0.71 0.00 0.00 54.79 51.44 1k83 n ASP 555 Cb 0.11 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.40 1k83 n ASP 555 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1k83 s TRP 556 N -3.29 3.62 -0.68 1.24 -0.00 -1.01 -4.98 118.94 113.84 1k83 s TRP 556 Ca 0.52 1.45 0.15 0.00 -0.00 0.00 0.00 56.10 58.22 1k83 s TRP 556 Cb 0.45 -2.67 0.76 0.00 -0.00 0.00 0.00 33.47 32.00 1k83 s TRP 556 CO 0.06 0.28 1.66 -0.40 -0.00 0.00 0.00 176.95 178.55 1k83 n ASP 557 N 0.56 5.17 0.00 5.86 5.75 -1.26 -4.94 116.55 127.69 1k83 n ASP 557 Ca -0.01 -2.69 0.00 0.00 -0.01 0.00 0.00 54.79 52.09 1k83 n ASP 557 Cb 0.51 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1k83 n ASP 557 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k83 n GLY 558 N 0.85 0.08 3.39 6.12 0.00 -1.26 -4.93 105.19 109.43 1k83 n GLY 558 Ca 0.26 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 1k83 n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k83 s VAL 559 N -1.15 4.78 -0.18 1.61 1.01 -1.26 -5.00 120.40 120.21 1k83 s VAL 559 Ca 0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 1k83 s VAL 559 Cb 0.00 -4.50 -0.06 0.00 0.00 0.00 0.00 36.38 31.83 1k83 s VAL 559 CO 0.00 -1.14 2.19 -0.38 0.00 0.00 0.00 175.10 175.78 1k83 n ILE 560 N 5.58 0.41 -1.72 2.22 5.41 -1.26 -4.92 119.36 125.08 1k83 n ILE 560 Ca -0.09 -0.42 -0.38 0.00 1.00 0.00 0.00 62.75 62.86 1k83 n ILE 560 Cb 0.43 -2.54 0.05 0.00 -0.71 0.00 0.00 39.64 36.87 1k83 n ILE 560 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1k83 n PRO 561 N 8.59 1.47 -2.37 0.38 -0.04 -1.26 -4.91 135.00 136.86 1k83 n PRO 561 Ca 0.29 0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 63.88 1k83 n PRO 561 Cb 0.44 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 1k83 n PRO 561 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1k83 s THR 562 N -1.33 3.76 0.48 0.52 2.01 -1.26 -4.97 115.64 114.85 1k83 s THR 562 Ca 0.74 1.34 -0.20 0.00 0.31 0.00 0.00 61.69 63.88 1k83 s THR 562 Cb -0.41 -3.86 -0.12 0.00 0.01 0.00 0.00 72.50 68.12 1k83 s THR 562 CO 0.47 0.15 0.42 -2.65 -0.69 0.00 0.00 174.62 172.32 1k83 n PRO 563 N 3.36 0.45 0.17 4.92 -0.02 -1.26 -4.86 135.00 137.76 1k83 n PRO 563 Ca 0.07 0.17 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1k83 n PRO 563 Cb 0.45 -1.48 0.39 0.00 -0.02 0.00 0.00 33.50 32.84 1k83 n PRO 563 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k83 h ALA 564 N 0.47 1.00 -3.23 3.55 0.00 -1.87 -3.41 119.26 115.77 1k83 h ALA 564 Ca -0.42 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.03 1k83 h ALA 564 Cb 1.41 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.82 1k83 h ALA 564 CO 0.48 0.00 -0.78 0.42 0.00 0.00 0.00 179.25 179.38 1k83 s ILE 565 N -3.25 0.56 -0.09 0.00 1.01 -0.93 -5.00 121.20 113.49 1k83 s ILE 565 Ca 0.07 -0.00 0.13 0.00 0.00 0.00 0.00 60.65 60.85 1k83 s ILE 565 Cb 0.09 -0.68 -0.19 0.00 0.01 0.00 0.00 42.46 41.68 1k83 s ILE 565 CO 0.58 0.28 0.16 -0.38 0.00 0.00 0.00 174.94 175.58 1k83 n ILE 566 N 5.09 0.57 0.00 2.92 5.41 -1.26 -1.62 119.36 130.47 1k83 n ILE 566 Ca -0.09 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.18 1k83 n ILE 566 Cb 0.50 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 39.11 1k83 n ILE 566 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1k83 n LYS 567 N -2.31 0.00 0.00 0.38 2.85 -1.26 -3.99 118.16 113.83 1k83 n LYS 567 Ca -0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 1k83 n LYS 567 Cb 0.73 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.11 1k83 n LYS 567 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1k83 n PRO 568 N 0.00 0.00 -3.64 -1.58 -0.04 -1.26 -4.54 135.00 123.94 1k83 n PRO 568 Ca 0.00 0.39 -0.06 0.00 -0.04 0.00 0.00 63.50 63.78 1k83 n PRO 568 Cb 0.00 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 31.82 1k83 n PRO 568 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1k83 s LYS 569 N -2.77 0.57 -0.52 0.54 2.20 -1.26 -5.09 119.74 113.42 1k83 s LYS 569 Ca 0.00 0.90 -0.27 0.00 -0.36 0.00 0.00 55.97 56.23 1k83 s LYS 569 Cb 0.00 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 1k83 s LYS 569 CO 0.00 -0.10 1.82 -1.25 -0.36 0.00 0.00 175.35 175.46 1k83 s PRO 570 N 1.17 2.88 -0.07 4.03 0.04 -1.26 -4.34 135.00 137.45 1k83 s PRO 570 Ca -0.06 0.88 0.05 0.00 0.04 0.00 0.00 61.00 61.90 1k83 s PRO 570 Cb -0.04 -4.31 -0.00 0.00 0.04 0.00 0.00 34.50 30.18 1k83 s PRO 570 CO -0.14 -2.42 -0.22 -1.17 0.04 0.00 0.00 177.00 173.10 1k83 s LEU 571 N 8.28 2.01 0.18 -3.56 2.96 -0.64 -4.02 118.68 123.89 1k83 s LEU 571 Ca 0.71 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 1k83 s LEU 571 Cb -0.16 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1k83 s LEU 571 CO 0.25 0.18 0.26 0.26 -1.32 0.00 0.00 176.35 175.98 1k83 s TRP 572 N 0.12 3.37 0.09 5.38 0.51 -0.03 -2.20 118.94 126.18 1k83 s TRP 572 Ca -0.10 0.04 -0.16 0.00 -2.12 0.00 0.00 56.10 53.75 1k83 s TRP 572 Cb -0.15 -1.59 -0.07 0.00 -0.81 0.00 0.00 33.47 30.86 1k83 s TRP 572 CO 0.05 0.50 0.53 0.45 -0.51 0.00 0.00 176.95 177.97 1k83 s SER 573 N -3.42 6.92 0.24 2.95 0.15 -1.26 -0.39 113.70 118.88 1k83 s SER 573 Ca 0.33 1.13 -0.05 0.00 0.70 0.00 0.00 55.95 58.06 1k83 s SER 573 Cb -0.10 -2.31 0.38 0.00 -1.71 0.00 0.00 66.02 62.28 1k83 s SER 573 CO 0.27 0.22 1.81 1.23 1.20 0.00 0.00 173.24 177.96 1k83 h GLY 574 N 4.17 1.23 1.16 9.45 0.00 -1.56 0.12 103.07 117.65 1k83 h GLY 574 Ca -0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 1k83 h GLY 574 CO 0.64 0.12 0.43 0.50 0.00 0.00 0.00 176.54 178.24 1k83 h LYS 575 N 0.76 1.11 0.25 4.80 1.57 -1.83 -2.96 116.57 120.27 1k83 h LYS 575 Ca 0.38 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1k83 h LYS 575 Cb 0.35 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1k83 h LYS 575 CO -0.25 0.81 -0.44 1.96 -0.57 0.00 0.00 179.45 180.96 1k83 h GLN 576 N 1.11 -0.74 -0.32 3.15 4.20 -1.31 -2.15 115.11 119.06 1k83 h GLN 576 Ca 0.28 0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.97 1k83 h GLN 576 Cb 0.03 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1k83 h GLN 576 CO -0.05 -0.49 -0.10 -0.84 -0.67 0.00 0.00 178.83 176.69 1k83 h ILE 577 N -0.76 1.23 -0.46 2.54 3.07 -1.46 -2.58 117.51 119.08 1k83 h ILE 577 Ca -0.01 -0.99 -0.01 0.00 1.55 0.00 0.00 64.86 65.40 1k83 h ILE 577 Cb 0.74 1.09 -0.02 0.00 -0.27 0.00 0.00 36.82 38.36 1k83 h ILE 577 CO -0.18 0.33 0.25 0.25 -1.05 0.00 0.00 178.15 177.74 1k83 h LEU 578 N 0.50 0.58 -0.26 0.16 5.85 -1.41 -1.47 115.31 119.26 1k83 h LEU 578 Ca 0.09 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1k83 h LEU 578 Cb 0.47 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1k83 h LEU 578 CO 0.03 0.51 0.27 -1.20 -0.34 0.00 0.00 178.44 177.70 1k83 n SER 579 N -4.68 0.10 0.07 1.25 7.64 -0.82 0.41 113.62 117.60 1k83 n SER 579 Ca 0.01 0.35 -0.10 0.00 1.01 0.00 0.00 58.87 60.15 1k83 n SER 579 Cb 0.09 -0.33 -0.13 0.00 -1.01 0.00 0.00 64.21 62.83 1k83 n SER 579 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1k83 h VAL 580 N 0.00 1.63 0.00 0.44 2.07 -1.33 -3.24 116.25 115.83 1k83 h VAL 580 Ca 0.00 -3.30 -0.09 0.00 0.82 0.00 0.00 66.70 64.13 1k83 h VAL 580 Cb 0.54 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1k83 h VAL 580 CO 0.00 0.95 -0.45 0.00 0.02 0.00 0.00 177.57 178.09 1k83 h ALA 581 N 0.86 1.03 -2.45 1.67 0.00 -0.17 -3.43 119.26 116.77 1k83 h ALA 581 Ca -0.06 -0.41 -0.56 0.00 0.00 0.00 0.00 54.91 53.89 1k83 h ALA 581 Cb 1.84 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.52 1k83 h ALA 581 CO 0.15 0.56 0.34 0.42 0.00 0.00 0.00 179.25 180.73 1k83 s ILE 582 N -3.67 4.90 0.74 0.00 1.01 -1.22 -4.80 121.20 118.16 1k83 s ILE 582 Ca -0.01 1.83 -0.11 0.00 0.00 0.00 0.00 60.65 62.36 1k83 s ILE 582 Cb 0.12 -4.22 0.04 0.00 0.01 0.00 0.00 42.46 38.41 1k83 s ILE 582 CO 0.71 0.13 1.08 -2.16 0.00 0.00 0.00 174.94 174.70 1k83 s PRO 583 N 1.34 2.54 0.58 2.79 0.04 -1.26 -4.83 135.00 136.19 1k83 s PRO 583 Ca 0.45 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.29 1k83 s PRO 583 Cb -0.19 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1k83 s PRO 583 CO 0.21 -1.39 1.15 -0.80 0.04 0.00 0.00 177.00 176.21 1k83 s ASN 584 N -3.66 5.42 0.00 6.66 0.01 -1.26 -3.58 114.94 118.53 1k83 s ASN 584 Ca 0.60 2.23 0.00 0.00 -0.71 0.00 0.00 52.86 54.97 1k83 s ASN 584 Cb -0.15 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.92 1k83 s ASN 584 CO 0.55 -1.43 0.00 0.61 -1.51 0.00 0.00 177.10 175.33 1k83 n GLY 585 N 0.19 0.64 3.59 0.66 0.00 -1.26 -4.85 105.19 104.17 1k83 n GLY 585 Ca 0.12 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1k83 n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k83 s ILE 586 N -2.00 5.07 0.08 -0.61 -1.09 -1.23 -4.86 121.20 116.55 1k83 s ILE 586 Ca 0.00 0.08 0.09 0.00 -2.23 0.00 0.00 60.65 58.59 1k83 s ILE 586 Cb 0.00 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 1k83 s ILE 586 CO 0.00 0.33 -0.24 -1.00 -1.23 0.00 0.00 174.94 172.80 1k83 s HIS 587 N 1.29 2.04 -0.28 3.97 3.76 -1.26 -0.98 115.29 123.83 1k83 s HIS 587 Ca 0.06 -0.39 -0.15 0.00 -0.15 0.00 0.00 55.06 54.43 1k83 s HIS 587 Cb -0.14 -1.17 0.09 0.00 1.11 0.00 0.00 32.58 32.47 1k83 s HIS 587 CO 0.06 0.18 0.70 -1.17 -0.85 0.00 0.00 174.74 173.66 1k83 s LEU 588 N -1.55 -0.96 -0.08 0.89 2.96 -0.49 -4.94 118.68 114.51 1k83 s LEU 588 Ca 0.10 1.49 0.03 0.00 -0.22 0.00 0.00 54.13 55.52 1k83 s LEU 588 Cb -0.10 2.34 0.01 0.00 0.50 0.00 0.00 46.19 48.94 1k83 s LEU 588 CO 0.03 -0.23 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.57 1k83 s GLN 589 N 1.86 2.13 -0.13 1.98 -0.21 -1.26 -1.12 119.66 122.90 1k83 s GLN 589 Ca -0.09 -0.56 -0.08 0.00 0.02 0.00 0.00 55.36 54.65 1k83 s GLN 589 Cb -0.06 -1.71 0.05 0.00 1.00 0.00 0.00 33.01 32.29 1k83 s GLN 589 CO -0.20 0.06 0.33 0.50 -2.12 0.00 0.00 175.29 173.86 1k83 s ARG 590 N 0.61 0.32 -0.19 2.91 3.52 -0.78 -5.00 118.95 120.34 1k83 s ARG 590 Ca -0.15 0.60 0.01 0.00 -0.13 0.00 0.00 55.73 56.05 1k83 s ARG 590 Cb -0.16 0.00 0.02 0.00 -1.56 0.00 0.00 34.95 33.25 1k83 s ARG 590 CO 0.05 -0.13 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.17 1k83 s PHE 591 N 0.98 2.82 0.00 5.12 0.40 -1.26 -1.64 117.98 124.41 1k83 s PHE 591 Ca -0.07 -1.65 0.00 0.00 -0.60 0.00 0.00 56.93 54.61 1k83 s PHE 591 Cb -0.07 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.53 1k83 s PHE 591 CO -0.07 -0.80 0.00 -0.25 0.70 0.00 0.00 175.22 174.80 1k83 n ASP 592 N 4.62 0.00 -0.04 1.36 8.00 -1.26 -4.92 116.55 124.31 1k83 n ASP 592 Ca -0.20 -0.59 -0.01 0.00 0.71 0.00 0.00 54.79 54.69 1k83 n ASP 592 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.58 1k83 n ASP 592 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k83 n GLU 593 N -0.59 -0.05 -2.51 -1.24 1.02 -1.26 -2.83 120.64 113.17 1k83 n GLU 593 Ca 0.00 0.57 -0.19 0.00 -0.02 0.00 0.00 57.16 57.52 1k83 n GLU 593 Cb 0.00 -0.85 0.02 0.00 -0.02 0.00 0.00 31.44 30.58 1k83 n GLU 593 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k83 n GLY 594 N -1.03 4.30 3.68 0.62 0.00 -1.26 -5.06 105.19 106.44 1k83 n GLY 594 Ca 0.00 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1k83 n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k83 s THR 595 N -4.54 4.87 0.46 2.61 2.01 -1.13 -4.75 115.64 115.19 1k83 s THR 595 Ca 0.40 1.74 0.04 0.00 0.31 0.00 0.00 61.69 64.17 1k83 s THR 595 Cb 0.42 -4.18 0.04 0.00 0.01 0.00 0.00 72.50 68.78 1k83 s THR 595 CO -0.08 0.05 0.32 0.41 -0.69 0.00 0.00 174.62 174.62 1k83 n THR 596 N 4.57 0.00 1.74 -0.82 -1.04 -1.26 -4.82 114.28 112.64 1k83 n THR 596 Ca 0.05 -1.87 0.06 0.00 -2.04 0.00 0.00 64.05 60.25 1k83 n THR 596 Cb 0.49 -0.05 0.37 0.00 -1.82 0.00 0.00 70.33 69.32 1k83 n THR 596 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1k83 n LEU 597 N 0.00 0.00 -0.32 -4.42 4.32 -1.26 -1.37 117.00 113.94 1k83 n LEU 597 Ca -0.03 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.00 1k83 n LEU 597 Cb 0.53 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.39 1k83 n LEU 597 CO 0.31 0.00 0.38 0.18 -1.22 0.00 0.00 177.39 177.04 1k83 n LEU 598 N -0.72 0.96 0.00 2.23 4.77 -1.26 -5.06 117.00 117.92 1k83 n LEU 598 Ca 0.09 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 1k83 n LEU 598 Cb 0.04 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1k83 n LEU 598 CO 0.07 0.44 0.00 -1.54 -1.33 0.00 0.00 177.39 175.03 1k83 n SER 599 N -0.59 0.00 -0.31 -1.43 3.41 -0.47 -4.71 113.62 109.52 1k83 n SER 599 Ca 0.07 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.69 1k83 n SER 599 Cb 0.67 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.70 1k83 n SER 599 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1k83 h PRO 600 N 0.00 -0.02 -0.86 4.33 0.13 -1.88 0.38 132.00 134.07 1k83 h PRO 600 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1k83 h PRO 600 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1k83 h PRO 600 CO 0.00 -0.02 0.00 1.63 -0.23 0.00 0.00 178.00 179.38 1k83 n LYS 601 N -5.52 0.97 -2.33 0.86 5.02 -1.26 -4.81 118.16 111.10 1k83 n LYS 601 Ca 0.11 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 1k83 n LYS 601 Cb 0.42 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 1k83 n LYS 601 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1k83 n ASP 602 N -0.05 -4.19 -3.04 4.39 2.03 0.13 -4.91 116.55 110.92 1k83 n ASP 602 Ca 0.00 0.18 -0.15 0.00 0.52 0.00 0.00 54.79 55.34 1k83 n ASP 602 Cb 0.21 -3.57 0.13 0.00 -0.72 0.00 0.00 41.12 37.17 1k83 n ASP 602 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1k83 n ASN 603 N -1.71 -1.67 0.00 1.67 2.85 -1.26 -1.54 115.26 113.60 1k83 n ASN 603 Ca -0.16 -0.80 0.00 0.00 -0.11 0.00 0.00 54.58 53.51 1k83 n ASN 603 Cb 0.61 -0.50 0.00 0.00 1.24 0.00 0.00 39.78 41.13 1k83 n ASN 603 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k83 n GLY 604 N -1.28 0.92 3.59 8.20 0.00 -1.26 -3.98 105.19 111.38 1k83 n GLY 604 Ca 0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 1k83 n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1k83 s MET 605 N 0.00 0.37 -0.11 1.61 1.75 -0.65 -4.22 119.30 118.06 1k83 s MET 605 Ca 0.00 0.71 -0.01 0.00 -1.25 0.00 0.00 55.69 55.14 1k83 s MET 605 Cb 0.00 0.18 0.03 0.00 2.84 0.00 0.00 34.83 37.88 1k83 s MET 605 CO 0.00 -0.09 -0.01 -1.17 -0.65 0.00 0.00 175.02 173.10 1k83 s LEU 606 N 1.64 0.88 -0.05 4.11 2.96 -0.50 -1.86 118.68 125.86 1k83 s LEU 606 Ca -0.08 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1k83 s LEU 606 Cb -0.04 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 46.06 1k83 s LEU 606 CO -0.16 -0.20 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.83 1k83 s ILE 607 N 1.88 1.74 -0.06 6.68 1.01 -0.28 0.89 121.20 133.07 1k83 s ILE 607 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 1k83 s ILE 607 Cb -0.13 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 40.88 1k83 s ILE 607 CO -0.06 0.49 0.04 -0.63 0.00 0.00 0.00 174.94 174.78 1k83 s ILE 608 N -0.09 0.08 -1.39 2.92 1.01 -0.69 -1.39 121.20 121.65 1k83 s ILE 608 Ca -0.03 0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 1k83 s ILE 608 Cb -0.12 -0.31 0.03 0.00 0.01 0.00 0.00 42.46 42.07 1k83 s ILE 608 CO 0.03 0.20 1.00 -0.67 0.00 0.00 0.00 174.94 175.49 1k83 n ASP 609 N 5.24 -4.22 -2.16 3.58 4.64 -0.91 -2.60 116.55 120.12 1k83 n ASP 609 Ca -0.05 -0.69 -0.15 0.00 -1.38 0.00 0.00 54.79 52.52 1k83 n ASP 609 Cb 0.50 -4.45 0.03 0.00 -1.04 0.00 0.00 41.12 36.16 1k83 n ASP 609 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1k83 n GLY 610 N -1.70 -0.14 2.80 0.27 0.00 -0.15 -4.24 105.19 102.03 1k83 n GLY 610 Ca -0.08 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1k83 n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k83 s GLN 611 N -5.34 0.15 0.23 1.61 -1.52 -1.07 -4.64 119.66 109.07 1k83 s GLN 611 Ca 0.21 0.35 -0.30 0.00 -1.95 0.00 0.00 55.36 53.67 1k83 s GLN 611 Cb -0.09 -0.86 -0.09 0.00 -0.22 0.00 0.00 33.01 31.74 1k83 s GLN 611 CO 0.26 -0.53 1.33 -1.50 -0.25 0.00 0.00 175.29 174.60 1k83 s ILE 612 N 2.33 3.03 -0.13 1.08 2.07 -1.26 -1.70 121.20 126.61 1k83 s ILE 612 Ca 0.05 0.88 0.15 0.00 -1.41 0.00 0.00 60.65 60.32 1k83 s ILE 612 Cb -0.14 -3.56 -0.21 0.00 0.13 0.00 0.00 42.46 38.67 1k83 s ILE 612 CO -0.10 0.15 0.12 -0.38 -1.91 0.00 0.00 174.94 172.82 1k83 n ILE 613 N 2.25 0.89 -3.59 2.00 5.41 0.26 -4.87 119.36 121.71 1k83 n ILE 613 Ca 0.05 -0.63 -0.07 0.00 1.00 0.00 0.00 62.75 63.10 1k83 n ILE 613 Cb 0.42 -0.44 -0.04 0.00 -0.71 0.00 0.00 39.64 38.87 1k83 n ILE 613 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1k83 s PHE 614 N -2.55 -0.24 0.00 1.39 -0.12 -1.19 -4.97 117.98 110.30 1k83 s PHE 614 Ca -0.08 0.37 0.00 0.00 -0.05 0.00 0.00 56.93 57.17 1k83 s PHE 614 Cb 0.06 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1k83 s PHE 614 CO 0.67 -0.25 0.00 0.41 -0.05 0.00 0.00 175.22 176.00 1k83 n GLY 615 N 0.51 2.46 3.77 1.99 0.00 -1.25 -1.41 105.19 111.25 1k83 n GLY 615 Ca -0.06 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 1k83 n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k83 s VAL 616 N -0.61 2.97 -0.42 1.61 1.01 -0.59 -4.91 120.40 119.47 1k83 s VAL 616 Ca 0.00 0.84 -0.18 0.00 0.00 0.00 0.00 61.98 62.64 1k83 s VAL 616 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1k83 s VAL 616 CO 0.00 0.10 0.48 -0.69 0.00 0.00 0.00 175.10 174.98 1k83 s VAL 617 N -1.35 5.04 0.00 2.92 1.01 -1.26 -4.91 120.40 121.85 1k83 s VAL 617 Ca 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1k83 s VAL 617 Cb -0.33 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1k83 s VAL 617 CO 0.42 -0.43 0.00 -1.84 0.00 0.00 0.00 175.10 173.25 1k83 n GLU 618 N 5.73 1.15 0.22 2.72 -0.00 -1.26 -3.29 120.64 125.90 1k83 n GLU 618 Ca -0.06 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.21 1k83 n GLU 618 Cb 0.48 0.00 0.67 0.00 -0.00 0.00 0.00 31.44 32.59 1k83 n GLU 618 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1k83 h LYS 619 N 0.00 0.00 0.00 3.44 3.64 -1.70 0.48 116.57 122.44 1k83 h LYS 619 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1k83 h LYS 619 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1k83 h LYS 619 CO 0.00 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.81 1k83 n LYS 620 N -4.45 0.06 -0.03 1.90 5.02 -1.26 -2.11 118.16 117.28 1k83 n LYS 620 Ca -0.01 0.17 -0.04 0.00 -2.02 0.00 0.00 58.31 56.41 1k83 n LYS 620 Cb 0.18 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1k83 n LYS 620 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1k83 n THR 621 N -1.71 0.38 0.07 -0.18 -1.04 -0.19 -4.58 114.28 107.02 1k83 n THR 621 Ca 0.05 -0.15 0.04 0.00 -2.04 0.00 0.00 64.05 61.95 1k83 n THR 621 Cb 0.28 -0.74 0.08 0.00 -1.82 0.00 0.00 70.33 68.13 1k83 n THR 621 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1k83 n VAL 622 N -2.67 0.58 -1.45 12.58 3.14 -0.01 -0.54 118.33 129.95 1k83 n VAL 622 Ca -0.12 -0.79 0.00 0.00 -2.96 0.00 0.00 64.34 60.48 1k83 n VAL 622 Cb 0.63 0.78 0.00 0.00 -1.06 0.00 0.00 33.84 34.19 1k83 n VAL 622 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k83 n GLY 623 N 0.32 -0.16 1.59 7.55 0.00 -0.90 -1.78 105.19 111.81 1k83 n GLY 623 Ca 0.07 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 1k83 n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k83 n SER 624 N -2.53 4.24 -4.83 1.61 3.41 -1.26 -4.61 113.62 109.65 1k83 n SER 624 Ca 0.00 -2.73 -0.30 0.00 -0.26 0.00 0.00 58.87 55.58 1k83 n SER 624 Cb 0.00 -0.77 0.06 0.00 -0.26 0.00 0.00 64.21 63.24 1k83 n SER 624 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1k83 s SER 625 N 0.23 5.16 0.00 4.04 1.04 -1.26 -4.35 113.70 118.55 1k83 s SER 625 Ca 0.23 1.39 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1k83 s SER 625 Cb 0.19 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1k83 s SER 625 CO 0.03 -1.56 0.35 0.59 0.98 0.00 0.00 173.24 173.63 1k83 n ASN 626 N -3.18 0.00 0.00 7.02 3.02 -1.26 -3.20 115.26 117.66 1k83 n ASN 626 Ca 0.07 0.35 0.12 0.00 -0.03 0.00 0.00 54.58 55.09 1k83 n ASN 626 Cb 0.55 0.00 0.61 0.00 -0.61 0.00 0.00 39.78 40.34 1k83 n ASN 626 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k83 n GLY 627 N -0.57 -1.07 2.48 7.41 0.00 -1.26 -4.64 105.19 107.54 1k83 n GLY 627 Ca 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1k83 n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k83 n GLY 628 N 0.75 -2.50 0.26 -0.02 0.00 -1.20 -4.33 105.19 98.16 1k83 n GLY 628 Ca 0.12 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1k83 n GLY 628 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1k83 h LEU 629 N -0.83 0.11 -0.25 0.99 5.85 -1.12 -1.61 115.31 118.45 1k83 h LEU 629 Ca -0.32 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.18 1k83 h LEU 629 Cb 1.16 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1k83 h LEU 629 CO 0.17 0.12 -0.88 0.40 -0.34 0.00 0.00 178.44 177.91 1k83 h ILE 630 N 0.13 1.41 -0.07 4.05 2.04 -1.82 -2.01 117.51 121.25 1k83 h ILE 630 Ca 0.03 -2.41 -0.01 0.00 1.00 0.00 0.00 64.86 63.47 1k83 h ILE 630 Cb 0.05 2.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1k83 h ILE 630 CO -0.00 0.72 0.00 -0.74 0.00 0.00 0.00 178.15 178.13 1k83 h HIS 631 N 0.22 0.13 0.31 1.37 2.76 -1.68 -2.66 115.15 115.59 1k83 h HIS 631 Ca -0.06 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.08 1k83 h HIS 631 Cb 1.50 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.42 1k83 h HIS 631 CO 0.05 0.38 -0.22 0.28 -1.30 0.00 0.00 177.93 177.13 1k83 h VAL 632 N -0.17 0.54 -0.69 5.26 2.07 -1.33 -2.65 116.25 119.28 1k83 h VAL 632 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1k83 h VAL 632 Cb 0.33 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1k83 h VAL 632 CO 0.00 0.00 0.42 0.58 0.02 0.00 0.00 177.57 178.59 1k83 h VAL 633 N -0.53 1.05 0.22 2.57 2.07 -1.42 0.74 116.25 120.96 1k83 h VAL 633 Ca -0.03 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1k83 h VAL 633 Cb 0.45 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1k83 h VAL 633 CO 0.01 0.15 -0.48 0.74 0.02 0.00 0.00 177.57 178.01 1k83 h THR 634 N 0.80 0.07 -0.95 2.57 2.02 -1.32 0.23 112.91 116.33 1k83 h THR 634 Ca 0.29 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.48 1k83 h THR 634 Cb 0.08 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.51 1k83 h THR 634 CO -0.13 0.00 0.63 0.03 0.37 0.00 0.00 175.52 176.42 1k83 h ARG 635 N -0.78 1.24 0.14 6.66 2.47 -1.11 0.19 114.38 123.19 1k83 h ARG 635 Ca -0.01 -0.07 -0.31 0.00 -1.26 0.00 0.00 59.98 58.32 1k83 h ARG 635 Cb 0.76 -0.28 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1k83 h ARG 635 CO -0.21 0.82 -1.52 1.49 0.56 0.00 0.00 179.97 181.10 1k83 h GLU 636 N 1.28 0.30 0.00 0.04 4.57 -0.59 -3.40 114.58 116.78 1k83 h GLU 636 Ca 0.35 -0.52 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1k83 h GLU 636 Cb -0.13 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1k83 h GLU 636 CO -0.08 1.19 -0.88 1.63 -1.18 0.00 0.00 179.01 179.69 1k83 n LYS 637 N -3.51 2.31 0.00 1.92 4.76 0.79 -5.07 118.16 119.36 1k83 n LYS 637 Ca -0.17 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1k83 n LYS 637 Cb 1.05 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.16 1k83 n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k83 n GLY 638 N 1.52 2.48 0.34 0.72 0.00 0.67 -4.49 105.19 106.43 1k83 n GLY 638 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1k83 n GLY 638 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1k83 h PRO 639 N 0.00 1.06 0.06 1.61 0.13 -1.88 -2.07 132.00 130.91 1k83 h PRO 639 Ca 0.00 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1k83 h PRO 639 Cb 0.00 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 30.89 1k83 h PRO 639 CO 0.00 0.70 -0.03 1.96 -0.23 0.00 0.00 178.00 180.40 1k83 h GLN 640 N 1.09 -0.08 -1.00 0.86 4.20 -1.90 -1.24 115.11 117.05 1k83 h GLN 640 Ca 0.38 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.15 1k83 h GLN 640 Cb 0.09 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 1k83 h GLN 640 CO -0.15 0.15 0.65 0.28 -0.67 0.00 0.00 178.83 179.09 1k83 h VAL 641 N -0.29 1.12 -0.48 -0.54 2.07 -1.75 -1.88 116.25 114.49 1k83 h VAL 641 Ca -0.01 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1k83 h VAL 641 Cb 0.26 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1k83 h VAL 641 CO 0.01 0.22 0.10 0.00 0.02 0.00 0.00 177.57 177.92 1k83 h ALA 643 N 0.97 1.52 -0.29 0.00 0.00 -0.52 0.31 119.26 121.26 1k83 h ALA 643 Ca 0.15 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1k83 h ALA 643 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1k83 h ALA 643 CO 0.01 0.30 -0.28 -0.22 0.00 0.00 0.00 179.25 179.06 1k83 h LYS 644 N 1.03 0.58 -0.41 0.00 1.63 -1.08 -3.11 116.57 115.20 1k83 h LYS 644 Ca 0.44 -0.24 0.09 0.00 -0.85 0.00 0.00 60.65 60.09 1k83 h LYS 644 Cb 0.33 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 31.85 1k83 h LYS 644 CO -0.20 0.80 -0.20 1.25 -3.45 0.00 0.00 179.45 177.66 1k83 h LEU 645 N 0.50 -0.68 -0.72 5.20 5.85 -0.17 -0.31 115.31 124.97 1k83 h LEU 645 Ca 0.07 0.16 0.15 0.00 0.84 0.00 0.00 57.88 59.10 1k83 h LEU 645 Cb 0.74 0.37 -0.11 0.00 0.37 0.00 0.00 40.66 42.04 1k83 h LEU 645 CO 0.06 -0.23 0.17 -0.26 -0.34 0.00 0.00 178.44 177.84 1k83 h PHE 646 N -0.12 0.27 -0.28 1.25 -1.00 -1.45 0.29 116.94 115.90 1k83 h PHE 646 Ca 0.20 0.04 -0.14 0.00 2.81 0.00 0.00 57.97 60.88 1k83 h PHE 646 Cb 0.43 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.98 1k83 h PHE 646 CO -0.44 -0.08 -0.39 0.78 -1.61 0.00 0.00 178.31 176.57 1k83 h GLY 647 N 0.27 0.83 1.00 -1.45 0.00 -1.38 -1.39 103.07 100.96 1k83 h GLY 647 Ca 0.41 -0.91 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1k83 h GLY 647 CO -0.50 0.82 -0.06 3.43 0.00 0.00 0.00 176.54 180.23 1k83 h ASN 648 N 0.51 -0.15 0.01 0.19 2.35 -0.22 0.67 115.58 118.94 1k83 h ASN 648 Ca 0.03 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1k83 h ASN 648 Cb 0.98 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1k83 h ASN 648 CO 0.09 -0.11 -0.00 0.40 -1.65 0.00 0.00 177.43 176.16 1k83 h ILE 649 N -0.18 1.02 0.06 2.81 2.04 -1.04 -2.17 117.51 120.05 1k83 h ILE 649 Ca -0.02 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1k83 h ILE 649 Cb 0.14 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 1k83 h ILE 649 CO 0.03 0.02 -0.50 1.56 0.00 0.00 0.00 178.15 179.25 1k83 h GLN 650 N -0.05 -0.66 -0.99 2.37 4.20 -1.06 -1.25 115.11 117.67 1k83 h GLN 650 Ca -0.00 0.05 0.19 0.00 0.06 0.00 0.00 58.65 58.94 1k83 h GLN 650 Cb 0.04 0.15 -0.10 0.00 0.30 0.00 0.00 27.48 27.88 1k83 h GLN 650 CO 0.00 -0.44 0.61 0.87 -0.67 0.00 0.00 178.83 179.20 1k83 h LYS 651 N -0.69 0.69 0.42 1.46 1.57 -0.70 0.39 116.57 119.71 1k83 h LYS 651 Ca 0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1k83 h LYS 651 Cb 0.73 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1k83 h LYS 651 CO -0.32 0.46 -0.20 0.28 -0.57 0.00 0.00 179.45 179.10 1k83 h VAL 652 N 0.71 0.22 -0.46 0.50 2.07 -0.78 -2.78 116.25 115.73 1k83 h VAL 652 Ca 0.56 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1k83 h VAL 652 Cb 0.93 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1k83 h VAL 652 CO -0.34 0.05 0.25 0.58 0.02 0.00 0.00 177.57 178.13 1k83 h VAL 653 N -1.08 1.00 -0.86 2.57 2.07 -0.89 -0.84 116.25 118.22 1k83 h VAL 653 Ca -0.06 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.37 1k83 h VAL 653 Cb 0.51 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 1k83 h VAL 653 CO 0.09 0.09 0.53 0.78 0.02 0.00 0.00 177.57 179.08 1k83 h ASN 654 N 0.50 0.81 0.38 0.57 2.35 -0.33 0.85 115.58 120.70 1k83 h ASN 654 Ca 0.19 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1k83 h ASN 654 Cb 0.07 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1k83 h ASN 654 CO -0.12 0.50 -0.18 0.15 -1.65 0.00 0.00 177.43 176.13 1k83 h PHE 655 N 0.93 -0.47 -0.63 1.19 3.57 -1.15 0.11 116.94 120.49 1k83 h PHE 655 Ca 0.39 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.95 1k83 h PHE 655 Cb 0.24 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1k83 h PHE 655 CO -0.04 -0.22 0.42 2.35 -2.23 0.00 0.00 178.31 178.59 1k83 h TRP 656 N -0.64 0.59 0.00 0.41 7.01 -0.39 -1.22 115.95 121.72 1k83 h TRP 656 Ca -0.05 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.86 1k83 h TRP 656 Cb 0.46 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1k83 h TRP 656 CO -0.02 0.31 -0.48 1.25 -2.79 0.00 0.00 178.44 176.71 1k83 h LEU 657 N 0.58 0.00 -0.93 0.65 5.85 0.12 -2.09 115.31 119.49 1k83 h LEU 657 Ca 0.28 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 1k83 h LEU 657 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1k83 h LEU 657 CO -0.08 0.48 -0.45 0.25 -0.34 0.00 0.00 178.44 178.29 1k83 h LEU 658 N 0.00 0.20 -0.90 2.25 5.85 0.45 0.12 115.31 123.27 1k83 h LEU 658 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1k83 h LEU 658 Cb 1.14 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1k83 h LEU 658 CO 0.06 0.63 -0.51 1.41 -0.34 0.00 0.00 178.44 179.69 1k83 n HIS 659 N -3.99 0.00 -0.14 1.25 8.25 -1.06 -4.33 115.22 115.20 1k83 n HIS 659 Ca -0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 1k83 n HIS 659 Cb 0.50 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.51 1k83 n HIS 659 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1k83 n ASN 660 N -0.16 1.94 0.00 0.41 5.15 -0.80 -5.10 115.26 116.70 1k83 n ASN 660 Ca 0.09 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 1k83 n ASN 660 Cb 0.45 -0.81 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 1k83 n ASN 660 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k83 n GLY 661 N 1.28 -0.58 3.61 8.20 0.00 0.02 -5.08 105.19 112.64 1k83 n GLY 661 Ca -0.52 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 1k83 n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k83 s PHE 662 N -3.04 -0.77 0.27 1.61 5.36 -1.26 -5.02 117.98 115.12 1k83 s PHE 662 Ca 0.00 1.86 -0.06 0.00 -0.96 0.00 0.00 56.93 57.77 1k83 s PHE 662 Cb 0.00 0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.98 1k83 s PHE 662 CO 0.00 -0.39 0.46 0.45 -1.46 0.00 0.00 175.22 174.28 1k83 n SER 663 N 2.60 -1.32 -3.64 6.13 2.88 -1.26 -5.18 113.62 113.84 1k83 n SER 663 Ca -0.14 -2.26 -0.10 0.00 -1.33 0.00 0.00 58.87 55.04 1k83 n SER 663 Cb 0.55 2.30 -0.07 0.00 -0.75 0.00 0.00 64.21 66.24 1k83 n SER 663 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1k83 s THR 664 N -2.53 0.00 0.00 2.46 2.01 -1.26 -4.78 115.64 111.54 1k83 s THR 664 Ca 0.16 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1k83 s THR 664 Cb -0.02 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1k83 s THR 664 CO 0.12 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1k83 n GLY 665 N 3.69 4.20 0.27 4.40 0.00 -1.26 -5.02 105.19 111.47 1k83 n GLY 665 Ca -0.18 -1.71 0.04 0.00 0.00 0.00 0.00 46.02 44.17 1k83 n GLY 665 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k83 h ILE 666 N 0.90 1.11 -0.81 -0.61 2.04 -2.03 -2.44 117.51 115.68 1k83 h ILE 666 Ca 0.00 -0.39 0.18 0.00 1.00 0.00 0.00 64.86 65.65 1k83 h ILE 666 Cb 0.00 0.88 -0.12 0.00 -0.74 0.00 0.00 36.82 36.85 1k83 h ILE 666 CO 0.00 0.14 0.26 1.23 0.00 0.00 0.00 178.15 179.78 1k83 h GLY 667 N 0.52 1.22 2.00 5.37 0.00 -1.97 0.08 103.07 110.29 1k83 h GLY 667 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k83 h GLY 667 CO -0.00 -0.23 0.00 -0.55 0.00 0.00 0.00 176.54 175.76 1k83 h ASP 668 N 0.32 0.00 -0.57 0.19 3.32 -1.84 -2.16 116.42 115.67 1k83 h ASP 668 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1k83 h ASP 668 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1k83 h ASP 668 CO -0.53 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.34 1k83 n THR 669 N -2.39 0.80 -3.68 0.35 -2.24 0.01 -4.77 114.28 102.36 1k83 n THR 669 Ca -0.00 -0.90 -0.36 0.00 -2.27 0.00 0.00 64.05 60.52 1k83 n THR 669 Cb 0.13 0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 68.97 1k83 n THR 669 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1k83 s ILE 670 N -1.18 5.38 0.01 2.28 1.01 -0.82 -4.45 121.20 123.43 1k83 s ILE 670 Ca 0.43 0.23 -0.01 0.00 0.00 0.00 0.00 60.65 61.30 1k83 s ILE 670 Cb 0.23 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1k83 s ILE 670 CO 0.31 0.40 0.15 0.00 0.00 0.00 0.00 174.94 175.80 1k83 s ALA 671 N 0.65 3.84 0.17 9.38 0.00 -1.26 -4.96 121.76 129.59 1k83 s ALA 671 Ca 0.09 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 51.00 1k83 s ALA 671 Cb -0.12 -1.76 -0.14 0.00 0.00 0.00 0.00 23.12 21.10 1k83 s ALA 671 CO 0.01 0.75 0.41 -0.25 0.00 0.00 0.00 175.76 176.68 1k83 n ASP 672 N 0.87 -1.09 -0.22 0.00 8.00 -1.26 -4.55 116.55 118.30 1k83 n ASP 672 Ca -0.10 0.92 0.02 0.00 0.71 0.00 0.00 54.79 56.34 1k83 n ASP 672 Cb 0.52 -0.78 0.12 0.00 -0.02 0.00 0.00 41.12 40.96 1k83 n ASP 672 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1k83 h GLY 673 N 0.80 0.74 1.04 0.44 0.00 -2.00 0.75 103.07 104.85 1k83 h GLY 673 Ca -0.23 0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1k83 h GLY 673 CO 0.47 -0.21 -0.19 -0.56 0.00 0.00 0.00 176.54 176.05 1k83 h PRO 674 N 0.15 0.86 -0.96 4.80 0.13 -2.00 -3.02 132.00 131.95 1k83 h PRO 674 Ca 0.35 -0.37 0.08 0.00 -0.87 0.00 0.00 66.00 65.18 1k83 h PRO 674 Cb 0.58 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 31.61 1k83 h PRO 674 CO -0.54 1.01 0.61 1.15 -0.23 0.00 0.00 178.00 180.01 1k83 h THR 675 N 0.68 1.04 0.00 1.56 2.02 -1.38 0.86 112.91 117.69 1k83 h THR 675 Ca 0.09 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1k83 h THR 675 Cb 0.75 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1k83 h THR 675 CO 0.06 0.20 -0.08 0.24 0.37 0.00 0.00 175.52 176.30 1k83 h MET 676 N 1.08 0.00 0.23 6.66 2.86 -0.81 0.14 114.93 125.09 1k83 h MET 676 Ca 0.43 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.75 1k83 h MET 676 Cb 0.23 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.92 1k83 h MET 676 CO -0.19 0.08 -1.44 -0.09 1.06 0.00 0.00 176.91 176.33 1k83 h ARG 677 N 0.00 0.48 -0.55 1.72 2.43 -0.84 -2.28 114.38 115.35 1k83 h ARG 677 Ca -0.00 -0.82 -0.06 0.00 -0.81 0.00 0.00 59.98 58.29 1k83 h ARG 677 Cb 0.23 0.31 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1k83 h ARG 677 CO 0.01 1.39 0.11 1.49 -1.51 0.00 0.00 179.97 181.46 1k83 h GLU 678 N 0.13 0.89 -0.30 0.20 4.81 -0.20 -2.25 114.58 117.87 1k83 h GLU 678 Ca -0.23 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 1k83 h GLU 678 Cb 2.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.39 1k83 h GLU 678 CO 0.26 0.85 0.02 0.82 -0.73 0.00 0.00 179.01 180.23 1k83 h ILE 679 N 0.78 1.25 -0.76 2.32 2.04 -0.82 -1.57 117.51 120.75 1k83 h ILE 679 Ca 0.17 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1k83 h ILE 679 Cb 0.38 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1k83 h ILE 679 CO 0.01 0.29 0.50 0.74 0.00 0.00 0.00 178.15 179.68 1k83 h THR 680 N 0.31 1.17 -0.10 -0.27 2.02 -1.33 -2.53 112.91 112.18 1k83 h THR 680 Ca 0.09 -0.34 -0.14 0.00 0.77 0.00 0.00 66.41 66.78 1k83 h THR 680 Cb 0.40 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1k83 h THR 680 CO 0.01 0.18 -0.54 -0.33 0.37 0.00 0.00 175.52 175.21 1k83 h GLU 681 N 1.00 0.31 -0.33 6.66 5.08 -1.34 -1.14 114.58 124.81 1k83 h GLU 681 Ca 0.29 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1k83 h GLU 681 Cb -0.08 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1k83 h GLU 681 CO -0.08 0.77 0.18 1.15 -1.00 0.00 0.00 179.01 180.03 1k83 h THR 682 N 0.24 1.11 0.10 1.13 2.02 -0.87 0.23 112.91 116.87 1k83 h THR 682 Ca 0.00 -0.28 -0.22 0.00 0.77 0.00 0.00 66.41 66.68 1k83 h THR 682 Cb 1.03 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1k83 h THR 682 CO 0.09 0.12 -1.11 0.40 0.37 0.00 0.00 175.52 175.38 1k83 h ILE 683 N 0.46 1.22 -0.43 3.11 2.04 -1.34 -3.16 117.51 119.41 1k83 h ILE 683 Ca 0.12 -2.42 0.12 0.00 1.00 0.00 0.00 64.86 63.69 1k83 h ILE 683 Cb 0.02 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1k83 h ILE 683 CO -0.02 0.67 0.42 0.00 0.00 0.00 0.00 178.15 179.22 1k83 h ALA 684 N -0.04 2.17 0.04 1.87 0.00 -0.68 0.59 119.26 123.21 1k83 h ALA 684 Ca -0.24 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.42 1k83 h ALA 684 Cb 1.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1k83 h ALA 684 CO 0.06 -0.64 -1.02 1.49 0.00 0.00 0.00 179.25 179.13 1k83 h GLU 685 N 0.00 0.36 0.00 0.00 4.81 -0.60 -3.16 114.58 115.99 1k83 h GLU 685 Ca 0.20 -0.44 -0.09 0.00 -0.13 0.00 0.00 59.36 58.90 1k83 h GLU 685 Cb 1.05 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1k83 h GLU 685 CO -0.00 1.13 -0.43 0.00 -0.73 0.00 0.00 179.01 178.97 1k83 h ALA 686 N 0.71 1.15 0.00 2.92 0.00 0.17 -2.09 119.26 122.11 1k83 h ALA 686 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1k83 h ALA 686 Cb 1.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1k83 h ALA 686 CO 0.17 0.54 0.00 1.63 0.00 0.00 0.00 179.25 181.60 1k83 n LYS 687 N -3.83 0.20 -0.10 0.00 5.02 -0.50 -1.36 118.16 117.59 1k83 n LYS 687 Ca -0.01 0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 1k83 n LYS 687 Cb 0.49 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.88 1k83 n LYS 687 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1k83 h LYS 688 N 0.00 0.00 -0.88 1.97 1.57 -1.39 -2.77 116.57 115.07 1k83 h LYS 688 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1k83 h LYS 688 Cb 0.35 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.57 1k83 h LYS 688 CO 0.00 0.97 0.49 0.87 -0.57 0.00 0.00 179.45 181.21 1k83 h LYS 689 N -1.00 0.70 -0.13 3.15 1.57 -1.35 0.31 116.57 119.82 1k83 h LYS 689 Ca -0.33 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.23 1k83 h LYS 689 Cb 1.27 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 1k83 h LYS 689 CO -0.20 0.46 -0.66 0.28 -0.57 0.00 0.00 179.45 178.77 1k83 h VAL 690 N 0.72 1.34 -0.08 0.50 2.07 -1.37 -2.69 116.25 116.74 1k83 h VAL 690 Ca 0.47 -1.97 -0.08 0.00 0.82 0.00 0.00 66.70 65.94 1k83 h VAL 690 Cb 0.60 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1k83 h VAL 690 CO -0.33 0.60 -0.29 0.25 0.02 0.00 0.00 177.57 177.82 1k83 h LEU 691 N 0.37 0.15 0.06 2.57 5.85 -0.80 -2.53 115.31 120.98 1k83 h LEU 691 Ca -0.02 -0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.39 1k83 h LEU 691 Cb 1.23 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1k83 h LEU 691 CO 0.12 0.45 -1.18 0.44 -0.34 0.00 0.00 178.44 177.93 1k83 h ASP 692 N 0.14 0.44 0.62 1.25 3.32 -0.98 -2.66 116.42 118.54 1k83 h ASP 692 Ca 0.02 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1k83 h ASP 692 Cb 0.59 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 1k83 h ASP 692 CO 0.04 1.32 -0.10 0.58 -1.72 0.00 0.00 179.24 179.36 1k83 h VAL 693 N 0.10 0.35 0.18 -1.35 2.07 -1.29 -0.97 116.25 115.34 1k83 h VAL 693 Ca -0.12 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1k83 h VAL 693 Cb 1.89 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1k83 h VAL 693 CO 0.19 0.10 -0.09 0.74 0.02 0.00 0.00 177.57 178.54 1k83 h THR 694 N 0.00 0.59 -0.99 2.57 2.02 -1.32 -1.30 112.91 114.48 1k83 h THR 694 Ca -0.00 -1.09 0.17 0.00 0.77 0.00 0.00 66.41 66.26 1k83 h THR 694 Cb 0.44 1.02 -0.10 0.00 -1.74 0.00 0.00 68.15 67.77 1k83 h THR 694 CO 0.01 0.16 0.62 0.11 0.37 0.00 0.00 175.52 176.79 1k83 h LYS 695 N -0.96 0.79 0.64 6.66 1.57 -1.35 0.87 116.57 124.79 1k83 h LYS 695 Ca -0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1k83 h LYS 695 Cb 0.45 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1k83 h LYS 695 CO 0.04 0.52 -0.33 1.49 -0.57 0.00 0.00 179.45 180.60 1k83 h GLU 696 N 0.81 -0.85 -0.18 3.15 4.81 -1.20 -1.77 114.58 119.35 1k83 h GLU 696 Ca 0.54 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.88 1k83 h GLU 696 Cb 0.78 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1k83 h GLU 696 CO -0.32 -0.57 0.14 0.00 -0.73 0.00 0.00 179.01 177.53 1k83 h ALA 697 N -1.54 2.03 0.00 2.92 0.00 -0.08 0.43 119.26 123.02 1k83 h ALA 697 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k83 h ALA 697 Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1k83 h ALA 697 CO 0.13 -0.23 0.00 1.96 0.00 0.00 0.00 179.25 181.11 1k83 h GLN 698 N 0.00 0.00 0.00 0.00 4.20 0.96 -2.69 115.11 117.57 1k83 h GLN 698 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1k83 h GLN 698 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1k83 h GLN 698 CO -0.00 0.00 -0.89 0.00 -0.67 0.00 0.00 178.83 177.27 1k83 n ALA 699 N -1.87 3.53 -2.36 3.87 0.00 0.09 -4.96 120.51 118.81 1k83 n ALA 699 Ca 0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.08 1k83 n ALA 699 Cb 0.41 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1k83 n ALA 699 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1k83 n ASN 700 N -1.84 -1.75 -0.03 0.00 5.15 -0.89 -4.98 115.26 110.92 1k83 n ASN 700 Ca 0.03 -0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.05 1k83 n ASN 700 Cb 0.41 -0.55 -0.15 0.00 -0.53 0.00 0.00 39.78 38.95 1k83 n ASN 700 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1k83 n LEU 701 N -0.39 0.00 -4.78 1.20 4.77 -0.99 -4.96 117.00 111.85 1k83 n LEU 701 Ca -0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1k83 n LEU 701 Cb 0.50 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1k83 n LEU 701 CO 0.01 0.12 1.13 0.18 -1.33 0.00 0.00 177.39 177.50 1k83 n LEU 702 N -2.33 4.87 -4.49 2.23 4.77 -1.26 -4.96 117.00 115.83 1k83 n LEU 702 Ca -0.11 1.21 -0.35 0.00 -0.03 0.00 0.00 56.01 56.74 1k83 n LEU 702 Cb 0.68 -1.62 -0.12 0.00 -2.33 0.00 0.00 43.42 40.03 1k83 n LEU 702 CO 0.42 0.14 -0.31 -0.89 -1.33 0.00 0.00 177.39 175.42 1k83 s THR 703 N -1.13 4.18 0.29 -5.08 2.01 -1.26 -5.01 115.64 109.64 1k83 s THR 703 Ca 0.54 -0.24 -0.29 0.00 0.31 0.00 0.00 61.69 62.01 1k83 s THR 703 Cb -0.47 -2.90 -0.10 0.00 0.01 0.00 0.00 72.50 69.04 1k83 s THR 703 CO 0.63 0.42 1.40 0.00 -0.69 0.00 0.00 174.62 176.38 1k83 s ALA 704 N 0.95 3.58 -0.12 7.40 0.00 -1.26 -4.97 121.76 127.34 1k83 s ALA 704 Ca 0.02 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.03 1k83 s ALA 704 Cb -0.14 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1k83 s ALA 704 CO 0.02 -0.74 0.93 0.15 0.00 0.00 0.00 175.76 176.12 1k83 s LYS 705 N -0.97 4.39 -0.01 0.00 1.02 -1.26 -4.93 119.74 117.99 1k83 s LYS 705 Ca 0.55 1.24 -0.24 0.00 0.02 0.00 0.00 55.97 57.55 1k83 s LYS 705 Cb -0.42 -3.54 -0.12 0.00 -0.52 0.00 0.00 37.83 33.23 1k83 s LYS 705 CO 0.48 -0.28 0.65 1.58 -0.92 0.00 0.00 175.35 176.86 1k83 n HIS 706 N 4.93 0.40 -2.25 3.18 -0.00 -1.26 -0.96 115.22 119.26 1k83 n HIS 706 Ca 0.07 0.63 -0.07 0.00 -0.00 0.00 0.00 57.72 58.36 1k83 n HIS 706 Cb 0.49 -1.25 0.00 0.00 -0.00 0.00 0.00 29.99 29.23 1k83 n HIS 706 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1k83 n GLY 707 N 0.94 0.18 3.43 1.57 0.00 -1.26 -4.93 105.19 105.12 1k83 n GLY 707 Ca 0.12 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1k83 n GLY 707 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k83 s MET 708 N -4.52 0.85 0.57 1.61 1.00 -0.14 -5.02 119.30 113.66 1k83 s MET 708 Ca 0.03 0.29 -0.12 0.00 0.00 0.00 0.00 55.69 55.89 1k83 s MET 708 Cb -0.01 0.40 -0.05 0.00 0.00 0.00 0.00 34.83 35.16 1k83 s MET 708 CO 0.04 -0.22 0.99 0.99 0.00 0.00 0.00 175.02 176.82 1k83 s THR 709 N -0.81 4.68 0.11 2.05 2.01 -1.26 -4.37 115.64 118.06 1k83 s THR 709 Ca -0.09 0.90 -0.28 0.00 0.31 0.00 0.00 61.69 62.54 1k83 s THR 709 Cb -0.03 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 1k83 s THR 709 CO 0.06 -0.99 1.62 -0.07 -0.69 0.00 0.00 174.62 174.55 1k83 h LEU 710 N 0.09 -0.87 -1.88 4.42 4.07 -1.95 0.20 115.31 119.38 1k83 h LEU 710 Ca -0.45 0.10 0.06 0.00 0.08 0.00 0.00 57.88 57.67 1k83 h LEU 710 Cb 1.19 0.33 -0.01 0.00 1.08 0.00 0.00 40.66 43.25 1k83 h LEU 710 CO 0.62 -0.39 0.21 0.03 -1.08 0.00 0.00 178.44 177.83 1k83 h ARG 711 N -0.51 0.14 0.04 1.13 3.08 -1.98 0.75 114.38 117.03 1k83 h ARG 711 Ca 0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1k83 h ARG 711 Cb 0.55 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1k83 h ARG 711 CO -0.19 0.09 -0.02 0.93 -1.07 0.00 0.00 179.97 179.71 1k83 h GLU 712 N 0.14 -0.05 0.00 0.04 5.08 -1.34 -2.15 114.58 116.29 1k83 h GLU 712 Ca 0.14 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1k83 h GLU 712 Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1k83 h GLU 712 CO -0.02 0.41 -0.25 0.66 -1.00 0.00 0.00 179.01 178.81 1k83 h SER 713 N -0.53 0.00 0.81 1.42 4.64 0.22 -1.26 113.55 118.85 1k83 h SER 713 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1k83 h SER 713 Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1k83 h SER 713 CO 0.01 0.25 -0.39 0.15 -0.87 0.00 0.00 176.83 175.98 1k83 h PHE 714 N 0.00 -1.01 -0.50 4.77 3.57 0.56 -2.17 116.94 122.16 1k83 h PHE 714 Ca -0.00 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.57 1k83 h PHE 714 Cb 0.72 0.33 -0.08 0.00 2.79 0.00 0.00 35.95 39.71 1k83 h PHE 714 CO 0.00 -0.62 -0.02 0.93 -2.23 0.00 0.00 178.31 176.37 1k83 h GLU 715 N -1.18 0.09 -0.70 1.11 4.39 -1.21 -1.81 114.58 115.27 1k83 h GLU 715 Ca -0.11 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.72 1k83 h GLU 715 Cb 0.85 -0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 29.35 1k83 h GLU 715 CO 0.18 0.06 -0.21 0.22 -1.16 0.00 0.00 179.01 178.10 1k83 h ASP 716 N 0.09 -0.77 -0.50 1.42 -0.00 -1.09 0.69 116.42 116.26 1k83 h ASP 716 Ca 0.25 0.22 -0.05 0.00 -0.00 0.00 0.00 57.03 57.45 1k83 h ASP 716 Cb 0.38 0.48 -0.02 0.00 -0.00 0.00 0.00 39.33 40.16 1k83 h ASP 716 CO -0.43 -0.25 0.11 0.78 -0.00 0.00 0.00 179.24 179.45 1k83 h ASN 717 N -0.03 0.77 -0.39 2.28 2.35 -0.68 -1.68 115.58 118.21 1k83 h ASN 717 Ca 0.32 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1k83 h ASN 717 Cb 0.53 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1k83 h ASN 717 CO -0.73 0.81 0.15 0.58 -1.65 0.00 0.00 177.43 176.59 1k83 h VAL 718 N 0.70 1.18 -0.00 2.81 2.07 -0.83 0.96 116.25 123.13 1k83 h VAL 718 Ca 0.16 -0.59 -0.16 0.00 0.82 0.00 0.00 66.70 66.93 1k83 h VAL 718 Cb 0.35 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1k83 h VAL 718 CO 0.00 0.22 -0.74 0.58 0.02 0.00 0.00 177.57 177.66 1k83 h VAL 719 N 0.64 1.51 -0.21 2.57 2.07 -0.71 -1.37 116.25 120.75 1k83 h VAL 719 Ca 0.15 -2.49 -0.17 0.00 0.82 0.00 0.00 66.70 65.01 1k83 h VAL 719 Cb 0.17 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1k83 h VAL 719 CO -0.01 0.71 -0.54 -0.09 0.02 0.00 0.00 177.57 177.66 1k83 h ARG 720 N 0.02 0.74 0.79 1.57 2.43 -0.34 -2.07 114.38 117.53 1k83 h ARG 720 Ca -0.01 -0.51 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 1k83 h ARG 720 Cb 1.31 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.94 1k83 h ARG 720 CO 0.10 1.14 -0.40 0.74 -1.51 0.00 0.00 179.97 180.04 1k83 h PHE 721 N 0.47 -1.03 -0.84 2.20 0.05 -0.80 -0.92 116.94 116.07 1k83 h PHE 721 Ca -0.01 -0.02 0.07 0.00 3.82 0.00 0.00 57.97 61.83 1k83 h PHE 721 Cb 1.15 0.35 -0.06 0.00 2.00 0.00 0.00 35.95 39.39 1k83 h PHE 721 CO 0.09 -0.63 0.51 -0.07 -0.18 0.00 0.00 178.31 178.03 1k83 h LEU 722 N -1.08 0.79 -0.41 1.54 3.38 -1.31 -1.41 115.31 116.80 1k83 h LEU 722 Ca -0.11 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1k83 h LEU 722 Cb 0.84 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1k83 h LEU 722 CO 0.17 0.50 -0.02 0.78 0.09 0.00 0.00 178.44 179.96 1k83 h ASN 723 N 0.92 0.73 -0.99 -0.43 2.35 -1.27 -0.16 115.58 116.73 1k83 h ASN 723 Ca 0.37 -0.32 0.13 0.00 -0.55 0.00 0.00 56.30 55.93 1k83 h ASN 723 Cb 0.20 -0.20 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 1k83 h ASN 723 CO -0.18 0.87 0.63 -0.33 -1.65 0.00 0.00 177.43 176.76 1k83 h GLU 724 N 0.57 0.92 0.81 0.81 5.08 -0.65 0.27 114.58 122.39 1k83 h GLU 724 Ca 0.12 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1k83 h GLU 724 Cb 0.51 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1k83 h GLU 724 CO 0.02 0.61 -0.39 0.00 -1.00 0.00 0.00 179.01 178.26 1k83 h ALA 725 N 1.55 -1.09 -0.59 3.43 0.00 -0.62 -0.06 119.26 121.88 1k83 h ALA 725 Ca 0.50 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 55.27 1k83 h ALA 725 Cb 0.54 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 1k83 h ALA 725 CO -0.27 -1.04 -0.32 -0.09 0.00 0.00 0.00 179.25 177.53 1k83 h ARG 726 N -1.23 -0.15 0.30 0.00 2.43 -0.37 0.39 114.38 115.75 1k83 h ARG 726 Ca -0.11 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1k83 h ARG 726 Cb 0.84 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 1k83 h ARG 726 CO 0.18 -0.10 -0.33 -0.44 -1.51 0.00 0.00 179.97 177.77 1k83 h ASP 727 N -0.15 -0.90 0.24 -3.80 3.32 -0.40 -0.14 116.42 114.59 1k83 h ASP 727 Ca 0.24 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 1k83 h ASP 727 Cb 0.55 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1k83 h ASP 727 CO -0.68 -0.46 -0.13 0.07 -1.72 0.00 0.00 179.24 176.32 1k83 h LYS 728 N -0.67 0.00 -0.11 3.56 2.10 -0.35 -0.44 116.57 120.67 1k83 h LYS 728 Ca -0.01 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.48 1k83 h LYS 728 Cb 0.62 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.94 1k83 h LYS 728 CO -0.08 0.13 -0.61 0.00 -2.00 0.00 0.00 179.45 176.89 1k83 h ALA 729 N 1.87 0.76 -0.17 0.07 0.00 0.20 -2.35 119.26 119.64 1k83 h ALA 729 Ca -0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 1k83 h ALA 729 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1k83 h ALA 729 CO 0.02 0.72 -0.69 0.78 0.00 0.00 0.00 179.25 180.08 1k83 h GLY 730 N 1.30 0.75 1.11 0.00 0.00 0.51 -2.94 103.07 103.80 1k83 h GLY 730 Ca -0.01 -1.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.19 1k83 h GLY 730 CO 0.10 0.89 -0.25 3.21 0.00 0.00 0.00 176.54 180.49 1k83 h ARG 731 N 0.49 0.98 -0.97 4.80 3.08 -1.17 -0.98 114.38 120.61 1k83 h ARG 731 Ca -0.03 -0.44 0.11 0.00 0.07 0.00 0.00 59.98 59.70 1k83 h ARG 731 Cb 1.29 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.24 1k83 h ARG 731 CO 0.14 1.11 0.62 -0.07 -1.07 0.00 0.00 179.97 180.69 1k83 h LEU 732 N 0.82 0.88 -0.36 3.04 3.38 -1.40 0.75 115.31 122.43 1k83 h LEU 732 Ca 0.10 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 1k83 h LEU 732 Cb 0.84 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1k83 h LEU 732 CO 0.07 0.48 -0.73 0.00 0.09 0.00 0.00 178.44 178.36 1k83 h ALA 733 N 1.54 0.54 0.22 1.53 0.00 -1.27 -3.06 119.26 118.76 1k83 h ALA 733 Ca 0.47 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1k83 h ALA 733 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1k83 h ALA 733 CO -0.23 0.74 -0.10 1.49 0.00 0.00 0.00 179.25 181.15 1k83 h GLU 734 N 0.34 -0.28 -0.66 0.00 4.81 0.08 -3.13 114.58 115.75 1k83 h GLU 734 Ca -0.03 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1k83 h GLU 734 Cb 1.32 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.67 1k83 h GLU 734 CO 0.13 -0.07 0.19 0.28 -0.73 0.00 0.00 179.01 178.81 1k83 h VAL 735 N -0.45 0.65 0.02 0.32 2.07 -0.96 -3.20 116.25 114.70 1k83 h VAL 735 Ca -0.03 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1k83 h VAL 735 Cb 0.34 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1k83 h VAL 735 CO 0.05 0.06 -0.02 -1.13 0.02 0.00 0.00 177.57 176.55 1k83 h ASN 736 N 0.32 -0.05 -0.25 0.57 -0.73 -1.49 -3.44 115.58 110.52 1k83 h ASN 736 Ca 0.35 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 58.31 1k83 h ASN 736 Cb 0.52 0.02 0.01 0.00 0.27 0.00 0.00 38.32 39.13 1k83 h ASN 736 CO -0.40 -0.03 0.11 0.18 -0.37 0.00 0.00 177.43 176.92 1k83 n LEU 737 N -2.32 0.18 0.00 0.34 4.77 -1.19 -4.91 117.00 113.88 1k83 n LEU 737 Ca -0.00 0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 56.22 1k83 n LEU 737 Cb 0.02 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1k83 n LEU 737 CO 0.01 -0.32 0.11 0.29 -1.33 0.00 0.00 177.39 176.16 1k83 n LYS 738 N 0.75 -0.85 0.05 3.23 5.02 -1.26 -4.92 118.16 120.18 1k83 n LYS 738 Ca 0.07 -0.29 0.12 0.00 -2.02 0.00 0.00 58.31 56.19 1k83 n LYS 738 Cb -0.00 -0.24 0.28 0.00 -0.02 0.00 0.00 35.03 35.06 1k83 n LYS 738 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k83 n ASP 739 N -3.22 0.60 0.02 4.39 8.00 -1.26 -3.21 116.55 121.87 1k83 n ASP 739 Ca 0.02 0.19 -0.09 0.00 0.71 0.00 0.00 54.79 55.62 1k83 n ASP 739 Cb 0.09 -0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 1k83 n ASP 739 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1k83 h LEU 740 N 0.00 0.58 -8.71 0.64 4.07 -2.00 -3.43 115.31 106.46 1k83 h LEU 740 Ca 0.00 -0.32 -0.71 0.00 0.08 0.00 0.00 57.88 56.92 1k83 h LEU 740 Cb 0.67 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1k83 h LEU 740 CO 0.00 1.04 1.20 -3.20 -1.08 0.00 0.00 178.44 176.40 1k83 n ASN 741 N -3.94 2.06 -0.22 -0.43 5.15 -1.20 -4.82 115.26 111.88 1k83 n ASN 741 Ca -0.03 0.72 -0.04 0.00 -0.60 0.00 0.00 54.58 54.63 1k83 n ASN 741 Cb 0.62 -1.17 0.14 0.00 -0.53 0.00 0.00 39.78 38.84 1k83 n ASN 741 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1k83 h ASN 742 N 9.84 0.94 -0.37 1.20 2.35 -1.86 0.79 115.58 128.48 1k83 h ASN 742 Ca -0.33 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1k83 h ASN 742 Cb 1.33 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 1k83 h ASN 742 CO 1.01 0.85 0.21 0.58 -1.65 0.00 0.00 177.43 178.43 1k83 h VAL 743 N 1.00 1.13 -0.20 2.81 2.07 -1.87 -1.25 116.25 119.94 1k83 h VAL 743 Ca 0.23 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1k83 h VAL 743 Cb 0.22 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1k83 h VAL 743 CO -0.02 0.14 -0.16 0.50 0.02 0.00 0.00 177.57 178.05 1k83 h LYS 744 N 0.47 0.33 -0.29 1.57 3.64 -1.74 -2.37 116.57 118.17 1k83 h LYS 744 Ca 0.13 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1k83 h LYS 744 Cb 0.03 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1k83 h LYS 744 CO -0.02 0.49 -0.09 1.96 -2.27 0.00 0.00 179.45 179.51 1k83 h GLN 745 N 0.30 0.47 -0.05 1.90 4.20 -0.04 -0.31 115.11 121.59 1k83 h GLN 745 Ca 0.06 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1k83 h GLN 745 Cb 0.46 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1k83 h GLN 745 CO 0.03 0.57 -0.04 0.52 -0.67 0.00 0.00 178.83 179.24 1k83 h MET 746 N 0.44 0.11 -0.20 1.46 2.86 -0.77 -2.95 114.93 115.88 1k83 h MET 746 Ca 0.09 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1k83 h MET 746 Cb 0.43 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 1k83 h MET 746 CO 0.02 0.55 -0.14 0.28 1.06 0.00 0.00 176.91 178.68 1k83 h VAL 747 N -0.33 0.59 -0.10 -2.22 2.07 -1.20 -1.35 116.25 113.70 1k83 h VAL 747 Ca 0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.56 1k83 h VAL 747 Cb 0.53 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1k83 h VAL 747 CO 0.01 0.00 0.15 0.24 0.02 0.00 0.00 177.57 177.99 1k83 h MET 748 N -0.14 0.00 0.00 1.57 2.07 -1.07 -2.37 114.93 114.99 1k83 h MET 748 Ca 0.12 0.00 -0.17 0.00 -2.07 0.00 0.00 59.70 57.58 1k83 h MET 748 Cb 0.32 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.02 1k83 h MET 748 CO -0.29 0.00 -1.50 0.00 1.07 0.00 0.00 176.91 176.19 1k83 n ALA 749 N -2.24 1.97 0.00 6.32 0.00 -0.58 -4.81 120.51 121.16 1k83 n ALA 749 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1k83 n ALA 749 Cb 0.25 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1k83 n ALA 749 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k83 n GLY 750 N 1.41 2.85 3.65 0.00 0.00 -0.76 -1.91 105.19 110.43 1k83 n GLY 750 Ca -0.11 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 1k83 n GLY 750 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k83 n SER 751 N 0.08 1.11 0.00 1.61 3.41 -1.23 -4.78 113.62 113.82 1k83 n SER 751 Ca 0.00 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 1k83 n SER 751 Cb 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.50 1k83 n SER 751 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k83 n LYS 752 N -1.59 0.00 0.00 4.33 5.02 -1.26 -4.17 118.16 120.48 1k83 n LYS 752 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1k83 n LYS 752 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 1k83 n LYS 752 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k83 n GLY 753 N 0.00 2.30 1.80 0.72 0.00 -1.26 -4.27 105.19 104.48 1k83 n GLY 753 Ca 0.00 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1k83 n GLY 753 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k83 n SER 754 N 0.00 0.69 0.07 1.61 3.41 -1.26 -4.68 113.62 113.46 1k83 n SER 754 Ca 0.00 -2.19 -0.13 0.00 -0.26 0.00 0.00 58.87 56.30 1k83 n SER 754 Cb 0.00 0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 64.52 1k83 n SER 754 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1k83 h PHE 755 N 1.43 -0.16 -1.02 7.33 3.57 -2.01 -2.69 116.94 123.38 1k83 h PHE 755 Ca -0.16 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.59 1k83 h PHE 755 Cb 0.66 0.05 -0.11 0.00 2.79 0.00 0.00 35.95 39.34 1k83 h PHE 755 CO 0.00 0.16 0.63 0.97 -2.23 0.00 0.00 178.31 177.84 1k83 h ILE 756 N -0.49 0.52 0.19 1.41 -0.00 -1.98 0.21 117.51 117.37 1k83 h ILE 756 Ca -0.02 -0.17 -0.01 0.00 -0.00 0.00 0.00 64.86 64.66 1k83 h ILE 756 Cb 0.39 -0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.19 1k83 h ILE 756 CO 0.03 0.09 -0.09 0.78 -0.00 0.00 0.00 178.15 178.96 1k83 h ASN 757 N 0.50 -0.21 -0.97 2.19 2.35 -1.93 -2.09 115.58 115.42 1k83 h ASN 757 Ca 0.63 -0.29 0.09 0.00 -0.55 0.00 0.00 56.30 56.19 1k83 h ASN 757 Cb 1.36 0.05 -0.07 0.00 0.05 0.00 0.00 38.32 39.72 1k83 h ASN 757 CO -0.41 0.21 0.63 0.40 -1.65 0.00 0.00 177.43 176.60 1k83 h ILE 758 N -0.68 1.01 -0.53 2.81 2.04 -0.95 -2.27 117.51 118.95 1k83 h ILE 758 Ca -0.03 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 1k83 h ILE 758 Cb 0.48 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1k83 h ILE 758 CO 0.04 0.19 0.10 0.00 0.00 0.00 0.00 178.15 178.48 1k83 h ALA 759 N 1.51 0.70 -0.06 1.87 0.00 -0.57 -0.30 119.26 122.41 1k83 h ALA 759 Ca 0.45 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1k83 h ALA 759 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1k83 h ALA 759 CO -0.20 0.43 -0.65 1.96 0.00 0.00 0.00 179.25 180.79 1k83 h GLN 760 N 0.75 0.22 0.07 0.00 4.20 -1.04 0.39 115.11 119.70 1k83 h GLN 760 Ca 0.16 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1k83 h GLN 760 Cb 0.38 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1k83 h GLN 760 CO 0.01 0.80 -0.03 0.52 -0.67 0.00 0.00 178.83 179.45 1k83 h MET 761 N 0.16 -0.09 0.00 1.46 2.86 -1.29 -1.37 114.93 116.66 1k83 h MET 761 Ca -0.01 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1k83 h MET 761 Cb 1.17 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1k83 h MET 761 CO 0.10 0.45 -0.42 0.77 1.06 0.00 0.00 176.91 178.87 1k83 h SER 762 N -0.73 0.00 -2.75 1.22 0.02 -1.11 -2.24 113.55 107.96 1k83 h SER 762 Ca -0.01 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1k83 h SER 762 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1k83 h SER 762 CO 0.02 0.93 0.00 0.00 -1.14 0.00 0.00 176.83 176.63 1k83 n ALA 763 N -3.09 0.00 -1.51 3.77 0.00 0.13 -4.69 120.51 115.11 1k83 n ALA 763 Ca -0.12 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.79 1k83 n ALA 763 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 1k83 n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k83 h VAL 765 N 2.44 1.27 0.00 0.00 2.07 -1.29 -3.34 116.25 117.40 1k83 h VAL 765 Ca -0.43 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.52 1k83 h VAL 765 Cb 1.40 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1k83 h VAL 765 CO 0.66 0.53 0.00 0.61 0.02 0.00 0.00 177.57 179.38 1k83 n GLY 766 N 0.15 0.31 3.58 2.17 0.00 -1.00 -4.77 105.19 105.63 1k83 n GLY 766 Ca -0.02 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.35 1k83 n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k83 s GLN 767 N -0.12 3.92 0.85 1.61 2.00 -1.26 0.60 119.66 127.26 1k83 s GLN 767 Ca 0.00 -0.35 -0.12 0.00 -2.00 0.00 0.00 55.36 52.89 1k83 s GLN 767 Cb 0.00 -3.45 0.10 0.00 0.80 0.00 0.00 33.01 30.46 1k83 s GLN 767 CO 0.00 -0.02 1.11 -0.65 -0.50 0.00 0.00 175.29 175.24 1k83 s GLN 768 N 1.23 1.65 -0.29 1.67 -1.52 -0.52 -4.97 119.66 116.91 1k83 s GLN 768 Ca 0.06 0.49 -0.26 0.00 -1.95 0.00 0.00 55.36 53.71 1k83 s GLN 768 Cb -0.14 -1.88 0.18 0.00 -0.22 0.00 0.00 33.01 30.95 1k83 s GLN 768 CO 0.05 -1.89 1.36 -1.54 -0.25 0.00 0.00 175.29 173.03 1k83 s SER 769 N -3.94 -0.11 -0.07 5.90 1.04 -1.26 -4.51 113.70 110.74 1k83 s SER 769 Ca 0.62 0.20 0.04 0.00 0.48 0.00 0.00 55.95 57.30 1k83 s SER 769 Cb -0.15 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1k83 s SER 769 CO 0.54 -0.05 -0.20 -0.69 0.98 0.00 0.00 173.24 173.82 1k83 s VAL 770 N -0.13 1.75 -1.31 5.02 1.01 -1.09 -4.61 120.40 121.04 1k83 s VAL 770 Ca 0.07 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1k83 s VAL 770 Cb -0.04 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1k83 s VAL 770 CO -0.13 0.49 0.69 -0.62 0.00 0.00 0.00 175.10 175.53 1k83 n GLU 771 N 3.41 -4.83 -0.95 2.72 1.02 -1.26 -2.54 120.64 118.20 1k83 n GLU 771 Ca -0.19 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1k83 n GLU 771 Cb 0.53 -5.15 0.00 0.00 -0.02 0.00 0.00 31.44 26.79 1k83 n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k83 n GLY 772 N -1.58 0.03 3.51 0.62 0.00 -1.26 -4.97 105.19 101.53 1k83 n GLY 772 Ca -0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 1k83 n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k83 s LYS 773 N -1.80 1.78 0.73 1.61 1.02 -1.05 -5.12 119.74 116.90 1k83 s LYS 773 Ca 0.00 -2.02 -0.11 0.00 0.02 0.00 0.00 55.97 53.86 1k83 s LYS 773 Cb 0.00 -1.00 0.03 0.00 -0.52 0.00 0.00 37.83 36.34 1k83 s LYS 773 CO 0.00 -0.22 1.07 1.03 -0.92 0.00 0.00 175.35 176.31 1k83 s ARG 774 N -3.84 2.65 -0.32 1.68 0.52 -1.26 -2.69 118.95 115.70 1k83 s ARG 774 Ca 0.32 0.92 -0.42 0.00 -0.52 0.00 0.00 55.73 56.03 1k83 s ARG 774 Cb 0.08 -1.96 -0.17 0.00 0.52 0.00 0.00 34.95 33.41 1k83 s ARG 774 CO 0.15 -1.30 1.65 -0.89 0.02 0.00 0.00 175.30 174.94 1k83 n ILE 775 N -3.26 0.18 -1.62 1.52 2.08 -1.04 -4.74 119.36 112.49 1k83 n ILE 775 Ca 0.08 -0.03 -0.31 0.00 0.56 0.00 0.00 62.75 63.04 1k83 n ILE 775 Cb 0.54 -0.94 0.04 0.00 -0.75 0.00 0.00 39.64 38.54 1k83 n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1k83 s ALA 776 N 3.07 2.75 -1.18 -1.39 0.00 -1.26 -4.79 121.76 118.95 1k83 s ALA 776 Ca 0.99 0.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.80 1k83 s ALA 776 Cb -1.20 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 18.72 1k83 s ALA 776 CO 0.69 -1.14 1.90 1.19 0.00 0.00 0.00 175.76 178.40 1k83 n PHE 777 N -3.07 3.25 -0.13 0.00 0.99 -1.26 -4.51 117.46 112.73 1k83 n PHE 777 Ca 0.07 -2.03 -0.07 0.00 -0.00 0.00 0.00 57.45 55.42 1k83 n PHE 777 Cb 0.54 -2.49 0.02 0.00 -1.00 0.00 0.00 39.48 36.54 1k83 n PHE 777 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1k83 h GLY 778 N 15.08 0.58 -0.96 1.37 0.00 -1.79 -3.41 103.07 113.94 1k83 h GLY 778 Ca 0.34 -0.17 -0.47 0.00 0.00 0.00 0.00 47.33 47.03 1k83 h GLY 778 CO 1.45 0.15 0.33 -1.36 0.00 0.00 0.00 176.54 177.10 1k83 s PHE 779 N -6.15 3.04 -0.26 5.60 0.08 -0.87 -4.94 117.98 114.48 1k83 s PHE 779 Ca -0.13 0.69 -0.29 0.00 0.12 0.00 0.00 56.93 57.33 1k83 s PHE 779 Cb 0.12 -3.24 -0.03 0.00 -0.57 0.00 0.00 43.02 39.30 1k83 s PHE 779 CO 0.72 -1.45 1.81 0.08 -0.10 0.00 0.00 175.22 176.28 1k83 s VAL 780 N -3.37 3.46 -1.67 -0.44 1.01 -1.26 -2.92 120.40 115.21 1k83 s VAL 780 Ca 0.60 0.49 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1k83 s VAL 780 Cb -0.11 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1k83 s VAL 780 CO 0.48 -0.30 0.00 0.47 0.00 0.00 0.00 175.10 175.75 1k83 n ASP 781 N 9.73 -5.12 -3.54 3.32 8.00 -1.26 -4.88 116.55 122.79 1k83 n ASP 781 Ca 0.22 0.19 -0.15 0.00 0.71 0.00 0.00 54.79 55.76 1k83 n ASP 781 Cb 0.46 -4.19 -0.06 0.00 -0.02 0.00 0.00 41.12 37.31 1k83 n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k83 s ARG 782 N -4.23 0.90 0.12 -1.24 1.70 -1.15 -1.27 118.95 113.79 1k83 s ARG 782 Ca 0.00 0.22 -0.08 0.00 -0.47 0.00 0.00 55.73 55.40 1k83 s ARG 782 Cb 0.00 0.42 -0.11 0.00 -0.57 0.00 0.00 34.95 34.70 1k83 s ARG 782 CO 0.00 -0.28 1.31 1.79 -1.08 0.00 0.00 175.30 177.04 1k83 h THR 783 N 2.84 1.34 -4.02 4.99 1.35 -1.85 -2.31 112.91 115.24 1k83 h THR 783 Ca -0.24 -2.22 -0.12 0.00 -0.55 0.00 0.00 66.41 63.28 1k83 h THR 783 Cb 1.15 2.24 -0.16 0.00 -1.73 0.00 0.00 68.15 69.65 1k83 h THR 783 CO 0.36 0.68 -0.58 -0.76 -0.25 0.00 0.00 175.52 174.97 1k83 s LEU 784 N -8.02 2.09 0.00 3.87 1.43 -1.26 -4.59 118.68 112.20 1k83 s LEU 784 Ca -0.08 -0.77 0.16 0.00 -1.03 0.00 0.00 54.13 52.41 1k83 s LEU 784 Cb 0.09 0.45 0.84 0.00 0.03 0.00 0.00 46.19 47.60 1k83 s LEU 784 CO 0.88 -0.57 1.43 -0.81 0.23 0.00 0.00 176.35 177.51 1k83 n PRO 785 N 0.38 0.30 0.11 1.29 -0.04 -1.26 -2.67 135.00 133.11 1k83 n PRO 785 Ca -0.16 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1k83 n PRO 785 Cb 0.60 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.80 1k83 n PRO 785 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1k83 h HIS 786 N 0.00 0.00 -1.34 0.54 3.86 -2.00 -3.46 115.15 112.76 1k83 h HIS 786 Ca 0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 1k83 h HIS 786 Cb 0.11 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.62 1k83 h HIS 786 CO 0.00 0.00 -0.06 -0.06 0.86 0.00 0.00 177.93 178.67 1k83 s PHE 787 N -3.17 1.73 0.28 2.45 0.40 -1.09 -5.12 117.98 113.46 1k83 s PHE 787 Ca 0.07 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1k83 s PHE 787 Cb 0.11 -2.47 -0.03 0.00 0.51 0.00 0.00 43.02 41.14 1k83 s PHE 787 CO 0.67 -1.19 0.29 -1.12 0.70 0.00 0.00 175.22 174.58 1k83 s SER 788 N -4.63 5.75 0.62 1.36 0.01 -1.26 -4.97 113.70 110.58 1k83 s SER 788 Ca 0.62 -0.21 -0.18 0.00 1.31 0.00 0.00 55.95 57.49 1k83 s SER 788 Cb -0.06 -1.42 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 1k83 s SER 788 CO 0.40 -0.16 1.23 -0.54 0.41 0.00 0.00 173.24 174.58 1k83 s LYS 789 N -3.95 2.80 -1.19 12.44 1.02 -1.26 -3.62 119.74 125.97 1k83 s LYS 789 Ca 0.36 1.90 -0.06 0.00 0.02 0.00 0.00 55.97 58.19 1k83 s LYS 789 Cb -0.08 -1.90 0.01 0.00 -0.52 0.00 0.00 37.83 35.34 1k83 s LYS 789 CO 0.27 -1.36 1.03 -0.25 -0.92 0.00 0.00 175.35 174.12 1k83 n ASP 790 N -1.75 -4.91 -4.18 2.83 10.43 -0.39 -4.97 116.55 113.60 1k83 n ASP 790 Ca 0.14 -0.51 -0.40 0.00 2.57 0.00 0.00 54.79 56.60 1k83 n ASP 790 Cb 0.49 -4.64 -0.09 0.00 1.84 0.00 0.00 41.12 38.72 1k83 n ASP 790 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1k83 s ASP 791 N -3.55 5.61 -0.14 -2.24 -1.08 -1.24 -4.92 116.67 109.10 1k83 s ASP 791 Ca 0.39 -2.13 0.12 0.00 -0.52 0.00 0.00 52.55 50.42 1k83 s ASP 791 Cb -0.17 -1.96 0.61 0.00 -1.46 0.00 0.00 42.92 39.94 1k83 s ASP 791 CO 0.66 -0.61 1.46 -1.22 0.52 0.00 0.00 175.17 175.98 1k83 n TYR 792 N 4.58 1.43 -0.88 -5.34 4.02 -1.26 -4.51 117.16 115.20 1k83 n TYR 792 Ca -0.03 -0.52 -0.30 0.00 -0.01 0.00 0.00 57.90 57.04 1k83 n TYR 792 Cb 0.41 -0.33 0.18 0.00 -0.02 0.00 0.00 39.34 39.58 1k83 n TYR 792 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1k83 s SER 793 N -0.69 2.50 0.27 7.72 1.04 -1.26 -4.78 113.70 118.50 1k83 s SER 793 Ca 0.41 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.49 1k83 s SER 793 Cb 0.30 -2.29 0.36 0.00 0.10 0.00 0.00 66.02 64.48 1k83 s SER 793 CO 0.15 -3.27 1.71 1.55 0.98 0.00 0.00 173.24 174.36 1k83 h PRO 794 N -1.99 0.59 -0.63 4.02 0.13 -1.95 -2.17 132.00 129.99 1k83 h PRO 794 Ca -0.52 -0.21 -0.04 0.00 -0.87 0.00 0.00 66.00 64.35 1k83 h PRO 794 Cb 1.30 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1k83 h PRO 794 CO 0.50 0.75 0.22 0.93 -0.23 0.00 0.00 178.00 180.18 1k83 h GLU 795 N 0.52 0.95 0.08 0.86 3.07 -1.92 -1.11 114.58 117.03 1k83 h GLU 795 Ca 0.08 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1k83 h GLU 795 Cb 0.64 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1k83 h GLU 795 CO 0.05 0.80 -0.04 1.03 -1.40 0.00 0.00 179.01 179.44 1k83 h SER 796 N 0.92 -0.09 -0.12 1.42 0.87 -1.83 -3.35 113.55 111.37 1k83 h SER 796 Ca 0.21 -0.47 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1k83 h SER 796 Cb 0.23 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1k83 h SER 796 CO -0.01 0.46 0.03 1.17 -0.53 0.00 0.00 176.83 177.95 1k83 n LYS 797 N -4.87 1.57 0.00 2.24 3.00 -0.83 -4.77 118.16 114.50 1k83 n LYS 797 Ca -0.08 -0.55 0.00 0.00 -0.00 0.00 0.00 58.31 57.68 1k83 n LYS 797 Cb 0.28 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.78 1k83 n LYS 797 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1k83 n GLY 798 N 0.14 0.66 3.71 3.14 0.00 -1.08 -2.50 105.19 109.26 1k83 n GLY 798 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1k83 n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k83 s PHE 799 N -2.00 3.62 -0.51 1.61 5.36 -0.44 -1.44 117.98 124.17 1k83 s PHE 799 Ca 0.00 1.64 -0.14 0.00 -0.96 0.00 0.00 56.93 57.48 1k83 s PHE 799 Cb 0.00 -3.16 0.12 0.00 -0.34 0.00 0.00 43.02 39.64 1k83 s PHE 799 CO 0.00 -0.17 0.44 0.08 -1.46 0.00 0.00 175.22 174.12 1k83 s VAL 800 N 1.15 4.89 0.08 3.12 1.01 0.20 -4.60 120.40 126.25 1k83 s VAL 800 Ca 0.52 -1.57 -0.21 0.00 0.00 0.00 0.00 61.98 60.73 1k83 s VAL 800 Cb -0.21 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 31.91 1k83 s VAL 800 CO 0.27 -0.82 1.59 -0.08 0.00 0.00 0.00 175.10 176.05 1k83 h GLU 801 N 8.74 0.24 -7.23 2.72 4.81 -1.94 -2.64 114.58 119.28 1k83 h GLU 801 Ca -0.27 -0.05 -0.52 0.00 -0.13 0.00 0.00 59.36 58.39 1k83 h GLU 801 Cb 1.09 -0.03 0.14 0.00 0.63 0.00 0.00 28.75 30.58 1k83 h GLU 801 CO 0.97 0.36 0.34 -0.80 -0.73 0.00 0.00 179.01 179.16 1k83 s ASN 802 N -5.61 4.28 0.67 1.04 0.01 -1.26 -3.98 114.94 110.09 1k83 s ASN 802 Ca -0.14 2.11 0.01 0.00 -0.71 0.00 0.00 52.86 54.13 1k83 s ASN 802 Cb 0.06 -2.56 0.11 0.00 0.41 0.00 0.00 41.25 39.27 1k83 s ASN 802 CO 0.70 -2.20 0.93 -0.94 -1.51 0.00 0.00 177.10 174.08 1k83 s SER 803 N -2.60 4.61 0.22 -1.22 1.04 -1.25 -1.71 113.70 112.79 1k83 s SER 803 Ca 0.68 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 1k83 s SER 803 Cb -0.23 -0.12 0.20 0.00 0.10 0.00 0.00 66.02 65.97 1k83 s SER 803 CO 0.49 -1.67 1.64 1.88 0.98 0.00 0.00 173.24 176.56 1k83 h TYR 804 N -0.32 0.87 -0.35 5.02 0.99 -1.05 -1.58 116.97 120.54 1k83 h TYR 804 Ca -0.36 -0.19 0.06 0.00 2.00 0.00 0.00 58.73 60.23 1k83 h TYR 804 Cb 1.27 -0.21 -0.05 0.00 1.00 0.00 0.00 36.73 38.74 1k83 h TYR 804 CO -0.01 0.91 0.04 1.25 -0.00 0.00 0.00 178.16 180.35 1k83 h LEU 805 N 0.68 -0.05 -0.81 3.88 5.85 -1.67 -2.18 115.31 121.01 1k83 h LEU 805 Ca 0.10 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 1k83 h LEU 805 Cb 0.71 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1k83 h LEU 805 CO 0.05 0.01 -0.47 0.03 -0.34 0.00 0.00 178.44 177.72 1k83 h ARG 806 N 0.15 0.00 0.00 1.25 3.08 -1.79 -3.50 114.38 113.58 1k83 h ARG 806 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1k83 h ARG 806 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1k83 h ARG 806 CO -0.25 0.47 0.00 0.41 -1.07 0.00 0.00 179.97 179.54 1k83 n GLY 807 N 0.31 1.56 3.95 0.04 0.00 -0.61 -4.95 105.19 105.49 1k83 n GLY 807 Ca -0.00 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 1k83 n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k83 s LEU 808 N -0.43 4.32 0.43 0.99 1.02 -1.26 -4.58 118.68 119.17 1k83 s LEU 808 Ca 0.00 0.16 -0.04 0.00 0.02 0.00 0.00 54.13 54.28 1k83 s LEU 808 Cb 0.00 -2.92 -0.04 0.00 0.02 0.00 0.00 46.19 43.25 1k83 s LEU 808 CO 0.00 -0.00 0.70 0.42 0.02 0.00 0.00 176.35 177.49 1k83 s THR 809 N -1.84 4.97 0.21 5.49 -4.23 -1.26 -4.79 115.64 114.19 1k83 s THR 809 Ca 0.35 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.71 1k83 s THR 809 Cb -0.10 -3.85 0.23 0.00 1.34 0.00 0.00 72.50 70.11 1k83 s THR 809 CO 0.29 -0.72 1.60 1.55 -0.54 0.00 0.00 174.62 176.80 1k83 h PRO 810 N 0.51 -0.06 -0.36 3.99 0.13 -1.99 0.85 132.00 135.07 1k83 h PRO 810 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1k83 h PRO 810 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1k83 h PRO 810 CO 0.62 -0.04 0.22 1.96 -0.23 0.00 0.00 178.00 180.53 1k83 h GLN 811 N -0.06 0.44 -0.77 0.86 7.50 -1.99 -0.97 115.11 120.13 1k83 h GLN 811 Ca 0.30 -0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.44 1k83 h GLN 811 Cb 0.53 -0.10 -0.04 0.00 0.05 0.00 0.00 27.48 27.92 1k83 h GLN 811 CO -0.72 0.29 0.51 0.93 -1.50 0.00 0.00 178.83 178.34 1k83 h GLU 812 N 0.45 0.97 -0.01 1.46 5.08 -1.19 -2.12 114.58 119.23 1k83 h GLU 812 Ca 0.14 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1k83 h GLU 812 Cb -0.03 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 1k83 h GLU 812 CO -0.05 0.64 0.00 0.35 -1.00 0.00 0.00 179.01 178.96 1k83 h PHE 813 N 1.00 0.01 -0.30 4.33 3.57 0.16 -0.91 116.94 124.80 1k83 h PHE 813 Ca 0.29 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1k83 h PHE 813 Cb -0.06 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1k83 h PHE 813 CO -0.00 0.11 0.17 0.35 -2.23 0.00 0.00 178.31 176.71 1k83 h PHE 814 N -0.10 0.42 -0.69 0.41 3.57 -0.89 -1.23 116.94 118.42 1k83 h PHE 814 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1k83 h PHE 814 Cb 0.11 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1k83 h PHE 814 CO -0.04 0.34 0.44 0.74 -2.23 0.00 0.00 178.31 177.55 1k83 h PHE 815 N 0.37 0.89 0.00 0.41 0.05 -1.35 0.17 116.94 117.49 1k83 h PHE 815 Ca 0.11 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.90 1k83 h PHE 815 Cb 0.06 -0.30 -0.00 0.00 2.00 0.00 0.00 35.95 37.71 1k83 h PHE 815 CO -0.03 0.58 -0.02 1.25 -0.18 0.00 0.00 178.31 179.91 1k83 h HIS 816 N 0.95 0.00 0.10 -0.55 2.76 -0.57 -1.87 115.15 115.96 1k83 h HIS 816 Ca 0.25 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.14 1k83 h HIS 816 Cb -0.07 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1k83 h HIS 816 CO 0.00 0.02 -1.37 0.00 -1.30 0.00 0.00 177.93 175.28 1k83 h ALA 817 N 1.98 0.26 -0.16 5.26 0.00 0.24 -0.81 119.26 126.03 1k83 h ALA 817 Ca -0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 54.91 53.88 1k83 h ALA 817 Cb 0.67 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1k83 h ALA 817 CO 0.00 1.13 0.09 0.52 0.00 0.00 0.00 179.25 180.99 1k83 h MET 818 N 0.06 0.23 -0.51 0.00 2.07 -0.35 0.19 114.93 116.62 1k83 h MET 818 Ca -0.18 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.40 1k83 h MET 818 Cb 1.97 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 31.63 1k83 h MET 818 CO 0.17 0.23 0.19 0.78 1.07 0.00 0.00 176.91 179.34 1k83 h GLY 819 N 0.17 0.82 0.27 8.32 0.00 -1.40 -2.84 103.07 108.40 1k83 h GLY 819 Ca 0.06 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 46.98 1k83 h GLY 819 CO -0.01 0.43 -0.20 -1.33 0.00 0.00 0.00 176.54 175.43 1k83 h GLY 820 N 0.68 -0.12 0.72 4.60 0.00 -0.65 -1.83 103.07 106.47 1k83 h GLY 820 Ca 0.17 0.25 0.12 0.00 0.00 0.00 0.00 47.33 47.87 1k83 h GLY 820 CO -0.01 -0.18 0.53 -0.09 0.00 0.00 0.00 176.54 176.79 1k83 h ARG 821 N -0.22 0.66 -0.89 4.80 9.65 -0.43 -1.41 114.38 126.53 1k83 h ARG 821 Ca 0.12 -0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 1k83 h ARG 821 Cb 0.41 -0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 28.77 1k83 h ARG 821 CO -0.33 0.44 0.55 1.49 2.80 0.00 0.00 179.97 184.92 1k83 h GLU 822 N 0.68 0.95 -0.13 0.20 4.81 -1.10 0.05 114.58 120.04 1k83 h GLU 822 Ca 0.39 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1k83 h GLU 822 Cb 0.58 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1k83 h GLU 822 CO -0.16 0.63 -0.03 0.78 -0.73 0.00 0.00 179.01 179.51 1k83 h GLY 823 N 0.98 0.27 0.49 1.92 0.00 -1.21 -2.62 103.07 102.89 1k83 h GLY 823 Ca 0.39 -0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.58 1k83 h GLY 823 CO -0.19 0.20 0.15 1.41 0.00 0.00 0.00 176.54 178.11 1k83 h LEU 824 N -0.05 0.12 0.15 3.11 3.38 -1.09 -1.19 115.31 119.74 1k83 h LEU 824 Ca 0.03 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1k83 h LEU 824 Cb 0.44 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1k83 h LEU 824 CO 0.01 0.10 -0.32 0.40 0.09 0.00 0.00 178.44 178.72 1k83 h ILE 825 N 0.31 0.32 -0.18 1.22 2.04 -0.88 -1.93 117.51 118.41 1k83 h ILE 825 Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.10 1k83 h ILE 825 Cb 0.27 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1k83 h ILE 825 CO -0.26 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 176.99 1k83 n ASP 826 N -5.42 1.09 0.06 1.72 5.68 -1.00 -1.90 116.55 116.78 1k83 n ASP 826 Ca -0.07 -1.88 -0.02 0.00 -0.50 0.00 0.00 54.79 52.32 1k83 n ASP 826 Cb 0.33 -0.12 -0.07 0.00 -1.14 0.00 0.00 41.12 40.13 1k83 n ASP 826 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1k83 h THR 827 N 1.26 0.93 0.08 2.12 2.02 -0.46 0.13 112.91 119.00 1k83 h THR 827 Ca 0.00 -2.49 -0.00 0.00 0.77 0.00 0.00 66.41 64.69 1k83 h THR 827 Cb 0.28 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1k83 h THR 827 CO 0.00 0.53 -0.04 0.00 0.37 0.00 0.00 175.52 176.38 1k83 h ALA 828 N 1.29 -0.11 -1.97 6.16 0.00 -0.86 -2.32 119.26 121.45 1k83 h ALA 828 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1k83 h ALA 828 Cb 1.63 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1k83 h ALA 828 CO 0.08 -0.26 0.00 0.28 0.00 0.00 0.00 179.25 179.35 1k83 n VAL 829 N -4.87 0.00 -0.19 0.00 0.31 -0.89 -2.12 118.33 110.57 1k83 n VAL 829 Ca -0.08 1.17 0.10 0.00 -0.01 0.00 0.00 64.34 65.52 1k83 n VAL 829 Cb 0.29 -2.15 0.20 0.00 -0.91 0.00 0.00 33.84 31.26 1k83 n VAL 829 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1k83 n LYS 830 N -1.04 -0.04 0.15 5.55 4.01 0.46 0.15 118.16 127.39 1k83 n LYS 830 Ca 0.00 0.81 -0.13 0.00 -0.51 0.00 0.00 58.31 58.49 1k83 n LYS 830 Cb 0.00 -1.33 -0.07 0.00 -0.51 0.00 0.00 35.03 33.12 1k83 n LYS 830 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1k83 h THR 831 N 0.00 0.00 0.35 -0.18 2.02 -1.24 -2.70 112.91 111.16 1k83 h THR 831 Ca 0.36 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 1k83 h THR 831 Cb 0.81 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1k83 h THR 831 CO -0.50 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 175.03 1k83 h ALA 832 N -0.96 -1.03 -0.58 6.16 0.00 0.20 -2.97 119.26 120.07 1k83 h ALA 832 Ca -0.02 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 54.92 1k83 h ALA 832 Cb 0.60 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1k83 h ALA 832 CO -0.13 -1.06 0.75 0.93 0.00 0.00 0.00 179.25 179.74 1k83 h GLU 833 N -0.71 0.00 0.00 0.00 5.08 -1.44 -0.32 114.58 117.20 1k83 h GLU 833 Ca -0.04 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.04 1k83 h GLU 833 Cb 0.62 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1k83 h GLU 833 CO -0.05 0.00 -1.61 1.15 -1.00 0.00 0.00 179.01 177.51 1k83 h THR 834 N 0.00 0.90 0.00 1.13 2.02 -1.33 -3.00 112.91 112.64 1k83 h THR 834 Ca 0.28 -2.71 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1k83 h THR 834 Cb 1.78 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 70.61 1k83 h THR 834 CO -0.00 0.51 0.00 0.61 0.37 0.00 0.00 175.52 177.01 1k83 n GLY 835 N 1.52 -1.39 0.11 2.16 0.00 -0.14 -1.44 105.19 106.01 1k83 n GLY 835 Ca -0.14 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 1k83 n GLY 835 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k83 n TYR 836 N -2.25 0.20 -0.07 1.61 9.36 -1.17 -3.94 117.16 120.91 1k83 n TYR 836 Ca 0.03 0.06 -0.13 0.00 3.32 0.00 0.00 57.90 61.18 1k83 n TYR 836 Cb 0.28 -1.03 -0.06 0.00 -0.63 0.00 0.00 39.34 37.90 1k83 n TYR 836 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1k83 h ILE 837 N 0.00 1.32 -0.35 2.97 2.04 -1.35 -1.80 117.51 120.34 1k83 h ILE 837 Ca -0.52 -1.27 0.09 0.00 1.00 0.00 0.00 64.86 64.17 1k83 h ILE 837 Cb 2.12 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.93 1k83 h ILE 837 CO 0.01 0.38 0.25 -0.61 0.00 0.00 0.00 178.15 178.18 1k83 h GLN 838 N 0.10 0.05 0.00 2.37 -0.00 -1.44 0.16 115.11 116.35 1k83 h GLN 838 Ca 0.04 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.54 1k83 h GLN 838 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.11 1k83 h GLN 838 CO 0.04 0.03 -0.75 0.00 0.00 0.00 0.00 178.83 178.15 1k83 h ARG 839 N 0.05 0.00 -0.13 1.69 3.08 -1.63 -2.39 114.38 115.04 1k83 h ARG 839 Ca 0.17 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.99 1k83 h ARG 839 Cb 0.60 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.66 1k83 h ARG 839 CO -0.01 0.58 -0.80 0.00 -1.07 0.00 0.00 179.97 178.67 1k83 h ARG 840 N 0.00 0.75 0.17 0.04 2.47 0.10 -2.77 114.38 115.15 1k83 h ARG 840 Ca -0.03 -0.62 -0.01 0.00 -1.26 0.00 0.00 59.98 58.06 1k83 h ARG 840 Cb 1.51 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.96 1k83 h ARG 840 CO 0.08 1.23 -0.08 -0.07 0.56 0.00 0.00 179.97 181.68 1k83 h LEU 841 N 0.50 -0.20 -0.23 3.04 3.38 -1.03 -2.52 115.31 118.25 1k83 h LEU 841 Ca -0.06 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.82 1k83 h LEU 841 Cb 1.42 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 42.15 1k83 h LEU 841 CO 0.16 0.04 -0.24 0.58 0.09 0.00 0.00 178.44 179.07 1k83 h VAL 842 N -0.44 0.40 -0.76 1.22 2.07 -1.49 -2.12 116.25 115.13 1k83 h VAL 842 Ca -0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 1k83 h VAL 842 Cb 0.34 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 1k83 h VAL 842 CO 0.04 0.00 0.26 0.50 0.02 0.00 0.00 177.57 178.39 1k83 h LYS 843 N -0.25 0.36 -0.04 1.57 3.64 -1.46 0.66 116.57 121.06 1k83 h LYS 843 Ca 0.13 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1k83 h LYS 843 Cb 0.46 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1k83 h LYS 843 CO -0.38 0.24 -0.45 0.00 -2.27 0.00 0.00 179.45 176.59 1k83 h ALA 844 N 1.58 1.17 0.00 5.00 0.00 -0.94 -3.34 119.26 122.74 1k83 h ALA 844 Ca 0.43 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k83 h ALA 844 Cb 0.69 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1k83 h ALA 844 CO -0.45 0.59 -1.66 1.28 0.00 0.00 0.00 179.25 179.01 1k83 n LEU 845 N -3.99 0.00 -0.27 0.00 4.77 -0.79 -4.76 117.00 111.96 1k83 n LEU 845 Ca -0.02 0.00 0.26 0.00 -0.03 0.00 0.00 56.01 56.23 1k83 n LEU 845 Cb 0.49 0.02 0.40 0.00 -2.33 0.00 0.00 43.42 42.00 1k83 n LEU 845 CO 0.41 0.02 0.97 1.21 -1.33 0.00 0.00 177.39 178.67 1k83 n GLU 846 N -2.02 0.01 0.00 3.23 2.13 0.23 -0.16 120.64 124.06 1k83 n GLU 846 Ca -0.04 0.76 0.11 0.00 0.66 0.00 0.00 57.16 58.65 1k83 n GLU 846 Cb 0.40 -1.85 0.07 0.00 0.27 0.00 0.00 31.44 30.33 1k83 n GLU 846 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1k83 n ASP 847 N -2.92 2.68 -4.70 4.31 5.75 -1.26 -4.59 116.55 115.83 1k83 n ASP 847 Ca 0.22 -1.84 -0.42 0.00 -0.01 0.00 0.00 54.79 52.73 1k83 n ASP 847 Cb 1.23 0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 41.40 1k83 n ASP 847 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1k83 s ILE 848 N -1.99 4.62 0.05 2.12 1.01 0.78 -3.74 121.20 124.06 1k83 s ILE 848 Ca 0.24 1.89 -0.00 0.00 0.00 0.00 0.00 60.65 62.78 1k83 s ILE 848 Cb 0.18 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1k83 s ILE 848 CO 0.34 0.08 -0.04 -0.32 0.00 0.00 0.00 174.94 174.99 1k83 s MET 849 N 1.54 0.58 -0.08 2.79 -2.45 -0.45 -2.36 119.30 118.87 1k83 s MET 849 Ca 0.52 -1.08 -0.19 0.00 -1.25 0.00 0.00 55.69 53.69 1k83 s MET 849 Cb -0.22 0.09 -0.04 0.00 1.25 0.00 0.00 34.83 35.90 1k83 s MET 849 CO 0.24 -0.07 0.54 0.08 1.05 0.00 0.00 175.02 176.86 1k83 s VAL 850 N -3.18 5.10 0.38 10.11 1.01 -0.90 -2.00 120.40 130.92 1k83 s VAL 850 Ca 0.02 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.17 1k83 s VAL 850 Cb 0.03 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 1k83 s VAL 850 CO -0.07 0.35 0.48 -1.00 0.00 0.00 0.00 175.10 174.86 1k83 s HIS 851 N 0.39 2.92 -1.02 5.22 3.76 0.18 -0.03 115.29 126.72 1k83 s HIS 851 Ca 0.29 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1k83 s HIS 851 Cb -0.16 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.37 1k83 s HIS 851 CO 0.13 -0.18 0.99 0.66 -0.85 0.00 0.00 174.74 175.49 1k83 n TYR 852 N -1.69 0.00 -0.84 1.40 4.02 -1.26 -0.00 117.16 118.78 1k83 n TYR 852 Ca 0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.89 1k83 n TYR 852 Cb 0.59 -0.49 0.30 0.00 -0.02 0.00 0.00 39.34 39.72 1k83 n TYR 852 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1k83 n ASP 853 N -1.49 4.76 -0.08 7.72 5.75 -1.26 -4.89 116.55 127.07 1k83 n ASP 853 Ca 0.00 -3.07 -0.01 0.00 -0.01 0.00 0.00 54.79 51.70 1k83 n ASP 853 Cb 0.00 -0.72 -0.00 0.00 -1.03 0.00 0.00 41.12 39.37 1k83 n ASP 853 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1k83 n ASN 854 N 0.02 -5.43 -4.88 -1.12 3.02 1.00 -4.95 115.26 102.92 1k83 n ASN 854 Ca 0.36 0.02 -0.31 0.00 -0.03 0.00 0.00 54.58 54.63 1k83 n ASN 854 Cb 1.28 -3.29 -0.04 0.00 -0.61 0.00 0.00 39.78 37.12 1k83 n ASN 854 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1k83 s THR 855 N -1.00 4.86 -0.25 3.41 2.01 -1.24 -2.82 115.64 120.62 1k83 s THR 855 Ca 0.00 0.51 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 1k83 s THR 855 Cb 0.00 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1k83 s THR 855 CO 0.00 -0.28 0.04 -0.89 -0.69 0.00 0.00 174.62 172.79 1k83 s THR 856 N -2.08 3.96 0.23 -0.82 2.01 -0.80 -0.64 115.64 117.50 1k83 s THR 856 Ca 0.49 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1k83 s THR 856 Cb -0.11 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1k83 s THR 856 CO 0.25 0.31 0.07 -0.13 -0.69 0.00 0.00 174.62 174.43 1k83 s ARG 857 N 1.55 1.30 0.43 4.92 0.52 -0.85 -0.71 118.95 126.12 1k83 s ARG 857 Ca 0.05 -1.68 0.08 0.00 -0.52 0.00 0.00 55.73 53.66 1k83 s ARG 857 Cb -0.15 -0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.10 1k83 s ARG 857 CO 0.01 -0.26 0.38 0.54 0.02 0.00 0.00 175.30 176.00 1k83 s ASN 858 N -3.25 4.98 0.50 0.23 6.03 -1.00 -1.35 114.94 121.08 1k83 s ASN 858 Ca 0.34 -0.81 0.38 0.00 -1.03 0.00 0.00 52.86 51.74 1k83 s ASN 858 Cb 0.07 -0.46 1.55 0.00 -3.03 0.00 0.00 41.25 39.39 1k83 s ASN 858 CO 0.11 -0.71 1.63 0.77 -2.03 0.00 0.00 177.10 176.87 1k83 h SER 859 N 1.00 0.12 1.78 3.54 4.64 -1.93 1.15 113.55 123.86 1k83 h SER 859 Ca -0.41 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1k83 h SER 859 Cb 1.27 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1k83 h SER 859 CO 0.57 -0.09 0.00 -0.07 -0.87 0.00 0.00 176.83 176.38 1k83 h LEU 860 N 0.05 0.00 0.00 5.97 3.38 -1.94 -3.47 115.31 119.29 1k83 h LEU 860 Ca 0.83 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.80 1k83 h LEU 860 Cb 2.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.71 1k83 h LEU 860 CO -0.21 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.93 1k83 n GLY 861 N 1.00 1.00 3.77 0.83 0.00 0.40 -5.06 105.19 107.12 1k83 n GLY 861 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1k83 n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k83 s ASN 862 N -2.00 6.98 -0.05 1.61 0.01 -1.25 -4.77 114.94 115.47 1k83 s ASN 862 Ca 0.00 2.16 -0.30 0.00 -0.71 0.00 0.00 52.86 54.02 1k83 s ASN 862 Cb 0.00 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1k83 s ASN 862 CO 0.00 -0.34 1.04 -0.69 -1.51 0.00 0.00 177.10 175.60 1k83 s VAL 863 N -1.41 4.69 -0.20 1.60 1.01 -1.26 -2.37 120.40 122.46 1k83 s VAL 863 Ca 0.51 1.95 0.01 0.00 0.00 0.00 0.00 61.98 64.46 1k83 s VAL 863 Cb -0.27 -4.25 -0.13 0.00 0.00 0.00 0.00 36.38 31.72 1k83 s VAL 863 CO 0.34 0.06 -0.18 -0.38 0.00 0.00 0.00 175.10 174.95 1k83 n ILE 864 N 4.31 1.15 -4.06 2.22 5.41 0.12 -4.96 119.36 123.54 1k83 n ILE 864 Ca 0.08 -0.44 -0.15 0.00 1.00 0.00 0.00 62.75 63.24 1k83 n ILE 864 Cb 0.49 -1.22 -0.14 0.00 -0.71 0.00 0.00 39.64 38.06 1k83 n ILE 864 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1k83 s GLN 865 N -2.40 0.30 0.32 0.38 -0.21 -1.16 -4.88 119.66 112.00 1k83 s GLN 865 Ca -0.27 -0.12 0.26 0.00 0.02 0.00 0.00 55.36 55.25 1k83 s GLN 865 Cb 0.07 -0.30 0.84 0.00 1.00 0.00 0.00 33.01 34.62 1k83 s GLN 865 CO 0.46 0.06 1.76 0.74 -2.12 0.00 0.00 175.29 176.19 1k83 h PHE 866 N 6.14 0.00 -2.40 0.91 -1.00 -1.92 -2.12 116.94 116.56 1k83 h PHE 866 Ca -0.28 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.43 1k83 h PHE 866 Cb 1.19 0.00 -0.24 0.00 3.61 0.00 0.00 35.95 40.52 1k83 h PHE 866 CO 0.41 0.00 -0.13 -1.50 -1.61 0.00 0.00 178.31 175.48 1k83 s ILE 867 N -3.26 -0.01 0.19 -0.55 2.07 -1.26 -4.21 121.20 114.17 1k83 s ILE 867 Ca 0.07 0.03 -0.33 0.00 -1.41 0.00 0.00 60.65 59.02 1k83 s ILE 867 Cb 0.10 -0.76 -0.13 0.00 0.13 0.00 0.00 42.46 41.80 1k83 s ILE 867 CO 0.55 0.01 1.69 0.00 -1.91 0.00 0.00 174.94 175.28 1k83 n TYR 868 N 3.72 2.60 -0.90 3.50 9.36 -1.13 -1.71 117.16 132.60 1k83 n TYR 868 Ca -0.19 0.10 0.00 0.00 3.32 0.00 0.00 57.90 61.13 1k83 n TYR 868 Cb 0.57 -2.64 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 1k83 n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1k83 n GLY 869 N 3.82 0.15 2.35 2.98 0.00 -1.26 -0.26 105.19 112.96 1k83 n GLY 869 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 1k83 n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k83 n GLU 870 N -0.48 -0.75 0.00 1.61 1.02 -0.70 -4.73 120.64 116.62 1k83 n GLU 870 Ca 0.00 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1k83 n GLU 870 Cb 0.28 -4.21 0.00 0.00 -0.02 0.00 0.00 31.44 27.49 1k83 n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1k83 n ASP 871 N 0.01 0.00 0.00 1.62 5.75 -0.81 -4.69 116.55 118.43 1k83 n ASP 871 Ca -0.04 -0.97 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 1k83 n ASP 871 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1k83 n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k83 n GLY 872 N 0.00 0.31 3.84 6.12 0.00 0.64 -4.90 105.19 111.20 1k83 n GLY 872 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1k83 n GLY 872 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k83 s MET 873 N -0.71 4.01 -0.22 1.61 -1.94 -1.26 -0.91 119.30 119.88 1k83 s MET 873 Ca 0.00 0.96 -0.16 0.00 -1.71 0.00 0.00 55.69 54.78 1k83 s MET 873 Cb 0.00 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.63 1k83 s MET 873 CO 0.00 -0.18 0.41 0.34 -0.01 0.00 0.00 175.02 175.58 1k83 s ASP 874 N -2.82 6.41 0.50 3.03 -1.08 -0.38 -4.50 116.67 117.83 1k83 s ASP 874 Ca 0.59 0.48 0.31 0.00 -0.52 0.00 0.00 52.55 53.41 1k83 s ASP 874 Cb -0.10 -2.23 1.42 0.00 -1.46 0.00 0.00 42.92 40.55 1k83 s ASP 874 CO 0.26 -0.12 1.80 0.00 0.52 0.00 0.00 175.17 177.64 1k83 h ALA 875 N 7.56 2.85 0.00 3.66 0.00 -1.89 0.13 119.26 131.58 1k83 h ALA 875 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1k83 h ALA 875 Cb 1.16 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1k83 h ALA 875 CO 0.70 -1.21 0.00 0.00 0.00 0.00 0.00 179.25 178.75 1k83 n ALA 876 N -2.68 2.50 -0.51 0.00 0.00 -1.26 -3.07 120.51 115.49 1k83 n ALA 876 Ca 0.25 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1k83 n ALA 876 Cb 1.12 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 19.23 1k83 n ALA 876 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1k83 n HIS 877 N -0.99 0.09 -4.37 0.00 8.25 0.47 -4.87 115.22 113.80 1k83 n HIS 877 Ca 0.20 -0.73 -0.34 0.00 -0.26 0.00 0.00 57.72 56.59 1k83 n HIS 877 Cb 0.09 -0.11 -0.11 0.00 1.12 0.00 0.00 29.99 30.98 1k83 n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1k83 s ILE 878 N -1.88 4.06 0.04 1.59 1.01 -1.18 -4.09 121.20 120.75 1k83 s ILE 878 Ca 0.17 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.57 1k83 s ILE 878 Cb 0.14 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 1k83 s ILE 878 CO 0.03 0.52 -0.16 -1.61 0.00 0.00 0.00 174.94 173.71 1k83 s GLU 879 N 0.04 1.10 0.15 2.79 2.02 0.69 -4.71 118.70 120.78 1k83 s GLU 879 Ca 0.01 -0.82 -0.31 0.00 0.02 0.00 0.00 54.97 53.87 1k83 s GLU 879 Cb -0.13 -1.15 -0.10 0.00 0.10 0.00 0.00 34.13 32.85 1k83 s GLU 879 CO 0.02 0.29 1.66 0.21 0.02 0.00 0.00 175.26 177.46 1k83 s LYS 880 N -1.14 4.18 0.04 1.61 2.20 -1.26 0.14 119.74 125.50 1k83 s LYS 880 Ca 0.04 2.45 0.01 0.00 -0.36 0.00 0.00 55.97 58.11 1k83 s LYS 880 Cb -0.08 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 1k83 s LYS 880 CO 0.01 -0.70 -0.05 -0.65 -0.36 0.00 0.00 175.35 173.61 1k83 s GLN 881 N 1.63 0.49 -0.23 4.03 -0.21 -0.59 -4.86 119.66 119.91 1k83 s GLN 881 Ca 0.73 -0.87 -0.22 0.00 0.02 0.00 0.00 55.36 55.03 1k83 s GLN 881 Cb -0.45 -0.00 -0.02 0.00 1.00 0.00 0.00 33.01 33.54 1k83 s GLN 881 CO 0.32 -0.04 0.68 0.45 -2.12 0.00 0.00 175.29 174.59 1k83 s SER 882 N -2.00 6.68 -1.17 5.90 0.15 -1.26 -0.69 113.70 121.32 1k83 s SER 882 Ca -0.06 0.84 -0.14 0.00 0.70 0.00 0.00 55.95 57.29 1k83 s SER 882 Cb -0.04 -2.37 0.17 0.00 -1.71 0.00 0.00 66.02 62.08 1k83 s SER 882 CO -0.03 -0.37 1.37 -0.76 1.20 0.00 0.00 173.24 174.65 1k83 s LEU 883 N 2.34 5.16 0.20 3.45 1.43 0.58 -4.89 118.68 126.95 1k83 s LEU 883 Ca 0.29 -2.93 -0.17 0.00 -1.03 0.00 0.00 54.13 50.29 1k83 s LEU 883 Cb -0.16 -2.39 0.19 0.00 0.03 0.00 0.00 46.19 43.87 1k83 s LEU 883 CO 0.09 -0.75 1.60 0.44 0.23 0.00 0.00 176.35 177.96 1k83 h ASP 884 N 7.31 -0.96 0.00 2.29 3.32 -1.94 -2.57 116.42 123.87 1k83 h ASP 884 Ca 0.29 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1k83 h ASP 884 Cb 0.89 0.52 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1k83 h ASP 884 CO 1.21 -0.28 0.80 0.71 -1.72 0.00 0.00 179.24 179.96 1k83 h THR 885 N -0.10 0.00 0.00 0.35 1.35 -1.92 -2.00 112.91 110.59 1k83 h THR 885 Ca 0.28 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 66.00 1k83 h THR 885 Cb 0.54 0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.06 1k83 h THR 885 CO -0.70 0.00 -1.09 -0.29 -0.25 0.00 0.00 175.52 173.19 1k83 h ILE 886 N 0.00 0.58 -0.92 6.82 2.10 -1.80 -3.42 117.51 120.87 1k83 h ILE 886 Ca 0.00 -1.99 -0.52 0.00 1.08 0.00 0.00 64.86 63.43 1k83 h ILE 886 Cb 1.59 2.12 -0.01 0.00 -1.09 0.00 0.00 36.82 39.43 1k83 h ILE 886 CO 0.00 0.33 -0.25 -0.83 -1.08 0.00 0.00 178.15 176.32 1k83 s GLY 887 N -4.65 2.07 0.00 8.18 0.00 -0.75 -4.96 107.32 107.21 1k83 s GLY 887 Ca -0.01 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 42.99 1k83 s GLY 887 CO 0.79 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 172.73 1k83 n GLY 888 N -1.89 -2.27 3.63 0.20 0.00 -1.26 -4.85 105.19 98.75 1k83 n GLY 888 Ca 0.06 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1k83 n GLY 888 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k83 s SER 889 N -4.52 1.71 0.20 1.61 1.04 -1.26 -3.43 113.70 109.04 1k83 s SER 889 Ca 0.00 0.90 0.05 0.00 0.48 0.00 0.00 55.95 57.38 1k83 s SER 889 Cb 0.00 -1.36 0.10 0.00 0.10 0.00 0.00 66.02 64.86 1k83 s SER 889 CO 0.00 -3.67 1.45 0.44 0.98 0.00 0.00 173.24 172.45 1k83 h ASP 890 N -2.26 0.16 -0.56 7.02 3.32 -1.65 -2.43 116.42 120.02 1k83 h ASP 890 Ca -0.50 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1k83 h ASP 890 Cb 1.31 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 1k83 h ASP 890 CO 0.46 0.88 0.36 0.00 -1.72 0.00 0.00 179.24 179.22 1k83 h ALA 891 N 1.12 0.71 -0.63 3.45 0.00 -1.93 0.01 119.26 121.99 1k83 h ALA 891 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1k83 h ALA 891 Cb 1.37 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1k83 h ALA 891 CO 0.11 0.16 0.18 0.00 0.00 0.00 0.00 179.25 179.71 1k83 h ALA 892 N 1.19 0.82 0.09 0.00 0.00 -1.88 -1.26 119.26 118.22 1k83 h ALA 892 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k83 h ALA 892 Cb -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1k83 h ALA 892 CO -0.04 0.51 -0.05 0.35 0.00 0.00 0.00 179.25 180.02 1k83 h PHE 893 N 0.91 -0.12 -0.56 0.00 3.57 -0.84 -2.05 116.94 117.85 1k83 h PHE 893 Ca 0.20 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1k83 h PHE 893 Cb 0.31 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1k83 h PHE 893 CO 0.02 -0.08 0.14 1.49 -2.23 0.00 0.00 178.31 177.66 1k83 h GLU 894 N -0.13 0.89 -0.63 1.11 4.81 -0.93 -1.44 114.58 118.27 1k83 h GLU 894 Ca -0.01 -0.21 0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1k83 h GLU 894 Cb 0.10 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1k83 h GLU 894 CO 0.02 0.83 0.42 0.87 -0.73 0.00 0.00 179.01 180.41 1k83 h LYS 895 N 0.79 0.66 0.14 1.92 1.57 -1.08 0.18 116.57 120.75 1k83 h LYS 895 Ca 0.18 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.68 1k83 h LYS 895 Cb 0.33 -0.15 0.03 0.00 0.08 0.00 0.00 32.23 32.52 1k83 h LYS 895 CO 0.00 0.44 -1.00 -0.09 -0.57 0.00 0.00 179.45 178.23 1k83 h ARG 896 N 0.68 0.43 0.00 3.15 2.43 -1.05 -3.41 114.38 116.62 1k83 h ARG 896 Ca 0.26 -0.65 -0.08 0.00 -0.81 0.00 0.00 59.98 58.71 1k83 h ARG 896 Cb 0.18 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1k83 h ARG 896 CO -0.08 1.29 -1.79 0.66 -1.51 0.00 0.00 179.97 178.55 1k83 n TYR 897 N -4.00 0.00 -2.16 2.20 4.02 -0.57 -4.40 117.16 112.26 1k83 n TYR 897 Ca -0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.33 1k83 n TYR 897 Cb 0.89 -0.46 -0.03 0.00 -0.02 0.00 0.00 39.34 39.73 1k83 n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1k83 s ARG 898 N -2.86 4.22 -0.27 -0.72 6.06 0.61 -4.61 118.95 121.38 1k83 s ARG 898 Ca -0.06 2.01 0.02 0.00 -2.50 0.00 0.00 55.73 55.20 1k83 s ARG 898 Cb 0.08 -3.80 0.07 0.00 0.06 0.00 0.00 34.95 31.37 1k83 s ARG 898 CO 0.63 -0.73 -0.02 0.08 -2.50 0.00 0.00 175.30 172.76 1k83 s VAL 899 N 3.37 1.69 -0.53 7.11 1.01 -1.26 -4.86 120.40 126.92 1k83 s VAL 899 Ca 0.66 -1.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1k83 s VAL 899 Cb -0.30 -2.04 0.14 0.00 0.00 0.00 0.00 36.38 34.18 1k83 s VAL 899 CO 0.25 -0.29 0.32 -0.62 0.00 0.00 0.00 175.10 174.77 1k83 s ASP 900 N 1.28 5.05 0.53 3.32 2.15 0.25 -4.85 116.67 124.39 1k83 s ASP 900 Ca -0.00 -2.63 0.22 0.00 0.43 0.00 0.00 52.55 50.56 1k83 s ASP 900 Cb -0.19 -1.79 1.35 0.00 -0.30 0.00 0.00 42.92 41.99 1k83 s ASP 900 CO -0.09 -0.39 2.05 -0.07 -0.17 0.00 0.00 175.17 176.50 1k83 h LEU 901 N 7.23 0.00 -2.13 -1.34 3.38 -1.91 -1.86 115.31 118.68 1k83 h LEU 901 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1k83 h LEU 901 Cb 0.97 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1k83 h LEU 901 CO 0.69 0.00 0.07 0.18 0.09 0.00 0.00 178.44 179.48 1k83 n LEU 902 N -4.43 3.22 -3.40 1.67 4.77 -1.26 -1.28 117.00 116.29 1k83 n LEU 902 Ca 0.05 -1.64 -0.13 0.00 -0.03 0.00 0.00 56.01 54.26 1k83 n LEU 902 Cb 0.41 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 1k83 n LEU 902 CO 0.36 0.53 -0.12 0.21 -1.33 0.00 0.00 177.39 177.04 1k83 s ASN 903 N 0.58 0.83 0.61 -1.43 3.04 -0.70 -4.94 114.94 112.93 1k83 s ASN 903 Ca 0.07 -0.11 0.27 0.00 0.04 0.00 0.00 52.86 53.14 1k83 s ASN 903 Cb 0.06 0.79 1.00 0.00 -1.54 0.00 0.00 41.25 41.56 1k83 s ASN 903 CO 0.02 -0.33 1.37 0.71 -3.04 0.00 0.00 177.10 175.83 1k83 h THR 904 N 6.24 0.04 0.03 -5.21 1.35 -1.85 -1.99 112.91 111.51 1k83 h THR 904 Ca -0.17 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.34 1k83 h THR 904 Cb 1.14 0.07 -0.05 0.00 -1.73 0.00 0.00 68.15 67.59 1k83 h THR 904 CO 0.28 0.00 -1.93 0.47 -0.25 0.00 0.00 175.52 174.10 1k83 n ASP 905 N -3.31 1.96 -2.35 5.36 8.00 -1.26 -4.53 116.55 120.41 1k83 n ASP 905 Ca 0.22 0.29 -0.30 0.00 0.71 0.00 0.00 54.79 55.70 1k83 n ASP 905 Cb 1.45 -0.84 0.04 0.00 -0.02 0.00 0.00 41.12 41.76 1k83 n ASP 905 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1k83 n HIS 906 N -4.04 2.55 -3.89 1.24 8.25 -0.76 -4.92 115.22 113.66 1k83 n HIS 906 Ca -0.40 -2.50 -0.25 0.00 -0.26 0.00 0.00 57.72 54.31 1k83 n HIS 906 Cb 0.85 -1.27 -0.02 0.00 1.12 0.00 0.00 29.99 30.67 1k83 n HIS 906 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1k83 s THR 907 N -3.91 1.90 -0.27 1.59 2.01 -1.16 0.85 115.64 116.65 1k83 s THR 907 Ca 0.53 -1.51 -0.24 0.00 0.31 0.00 0.00 61.69 60.78 1k83 s THR 907 Cb 0.41 -2.41 -0.00 0.00 0.01 0.00 0.00 72.50 70.51 1k83 s THR 907 CO -0.11 0.00 0.81 -0.76 -0.69 0.00 0.00 174.62 173.87 1k83 s LEU 908 N -4.19 4.07 0.29 4.42 1.43 -1.26 -4.91 118.68 118.53 1k83 s LEU 908 Ca 0.37 0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 54.05 1k83 s LEU 908 Cb -0.01 -3.14 -0.12 0.00 0.03 0.00 0.00 46.19 42.94 1k83 s LEU 908 CO 0.22 -0.56 1.49 -0.67 0.23 0.00 0.00 176.35 177.06 1k83 n ASP 909 N 6.10 3.37 0.00 2.29 -0.08 -1.26 -4.79 116.55 122.19 1k83 n ASP 909 Ca 0.05 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.49 1k83 n ASP 909 Cb 0.48 -1.53 0.00 0.00 2.34 0.00 0.00 41.12 42.41 1k83 n ASP 909 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1k83 n PRO 910 N 1.71 0.00 -0.01 -0.67 -0.04 -1.26 -0.94 135.00 133.78 1k83 n PRO 910 Ca 0.08 0.02 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1k83 n PRO 910 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 1k83 n PRO 910 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1k83 n SER 911 N -0.94 0.48 0.13 3.54 3.41 -1.26 -3.98 113.62 114.99 1k83 n SER 911 Ca 0.00 0.21 -0.01 0.00 -0.26 0.00 0.00 58.87 58.81 1k83 n SER 911 Cb 0.00 0.70 0.11 0.00 -0.26 0.00 0.00 64.21 64.76 1k83 n SER 911 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1k83 h LEU 912 N 0.00 0.00 -8.66 1.04 3.38 -1.39 -3.23 115.31 106.45 1k83 h LEU 912 Ca -0.25 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.20 1k83 h LEU 912 Cb 1.69 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 42.23 1k83 h LEU 912 CO 0.04 0.66 -0.81 -0.22 0.09 0.00 0.00 178.44 178.20 1k83 s LEU 913 N -7.18 2.33 0.04 1.67 2.96 -1.22 -1.30 118.68 115.98 1k83 s LEU 913 Ca 0.00 -0.72 -0.19 0.00 -0.22 0.00 0.00 54.13 53.00 1k83 s LEU 913 Cb 0.11 -0.79 -0.18 0.00 0.50 0.00 0.00 46.19 45.83 1k83 s LEU 913 CO 0.76 0.00 1.23 -0.08 -1.32 0.00 0.00 176.35 176.94 1k83 h GLU 914 N 3.90 0.48 -1.13 1.98 4.81 -0.69 -3.06 114.58 120.87 1k83 h GLU 914 Ca -0.44 -0.38 -0.43 0.00 -0.13 0.00 0.00 59.36 57.98 1k83 h GLU 914 Cb 1.19 0.08 -0.22 0.00 0.63 0.00 0.00 28.75 30.43 1k83 h GLU 914 CO 0.43 1.01 0.55 -1.13 -0.73 0.00 0.00 179.01 179.14 1k83 n SER 915 N -4.29 5.19 -0.16 1.04 3.41 -1.26 -4.60 113.62 112.96 1k83 n SER 915 Ca -0.08 -3.28 -0.12 0.00 -0.26 0.00 0.00 58.87 55.13 1k83 n SER 915 Cb 0.57 -0.87 -0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1k83 n SER 915 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1k83 h GLY 916 N 2.03 1.08 1.95 5.00 0.00 -1.75 -3.13 103.07 108.26 1k83 h GLY 916 Ca 0.45 -0.98 -0.22 0.00 0.00 0.00 0.00 47.33 46.58 1k83 h GLY 916 CO 0.97 0.89 -1.03 1.48 0.00 0.00 0.00 176.54 178.85 1k83 h SER 917 N 0.85 0.03 -0.33 0.19 4.64 -1.83 -3.26 113.55 113.84 1k83 h SER 917 Ca 0.10 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1k83 h SER 917 Cb 0.83 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1k83 h SER 917 CO 0.07 1.02 0.00 -1.84 -0.87 0.00 0.00 176.83 175.22 1k83 n GLU 918 N -3.35 2.32 -0.00 4.77 0.28 -1.23 -3.48 120.64 119.94 1k83 n GLU 918 Ca -0.01 -1.41 0.04 0.00 -0.16 0.00 0.00 57.16 55.62 1k83 n GLU 918 Cb 0.95 -1.55 -0.05 0.00 1.43 0.00 0.00 31.44 32.22 1k83 n GLU 918 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1k83 n ILE 919 N 0.45 0.00 -1.73 3.84 3.06 -1.18 -4.88 119.36 118.91 1k83 n ILE 919 Ca 0.13 -0.26 -0.42 0.00 -2.50 0.00 0.00 62.75 59.70 1k83 n ILE 919 Cb 0.49 0.69 -0.03 0.00 0.54 0.00 0.00 39.64 41.33 1k83 n ILE 919 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 1k83 s LEU 920 N -2.89 4.38 0.00 9.51 0.20 -1.23 -1.52 118.68 127.13 1k83 s LEU 920 Ca 0.00 2.85 0.00 0.00 0.69 0.00 0.00 54.13 57.67 1k83 s LEU 920 Cb 0.05 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 1k83 s LEU 920 CO 0.32 -0.98 0.00 0.61 -0.29 0.00 0.00 176.35 176.01 1k83 n GLY 921 N 4.02 0.81 3.58 7.98 0.00 -0.40 -4.97 105.19 116.21 1k83 n GLY 921 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1k83 n GLY 921 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k83 s ASP 922 N -2.66 5.92 0.04 1.61 -1.08 -0.57 -4.90 116.67 115.03 1k83 s ASP 922 Ca 0.00 0.64 -0.25 0.00 -0.52 0.00 0.00 52.55 52.42 1k83 s ASP 922 Cb 0.00 -2.54 -0.17 0.00 -1.46 0.00 0.00 42.92 38.75 1k83 s ASP 922 CO 0.00 -1.81 1.52 -0.07 0.52 0.00 0.00 175.17 175.33 1k83 h LEU 923 N 13.82 -0.09 -0.84 -1.34 3.38 -1.93 -2.55 115.31 125.76 1k83 h LEU 923 Ca -0.28 -0.18 0.11 0.00 0.09 0.00 0.00 57.88 57.61 1k83 h LEU 923 Cb 1.13 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 1k83 h LEU 923 CO 1.14 0.13 0.47 0.11 0.09 0.00 0.00 178.44 180.38 1k83 h LYS 924 N -0.31 0.74 -0.27 1.13 1.57 -2.00 -1.49 116.57 115.94 1k83 h LYS 924 Ca -0.01 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1k83 h LYS 924 Cb 0.26 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1k83 h LYS 924 CO 0.02 0.49 -0.43 -0.07 -0.57 0.00 0.00 179.45 178.89 1k83 h LEU 925 N 0.77 0.73 -2.32 2.94 3.38 -1.97 -2.77 115.31 116.06 1k83 h LEU 925 Ca 0.42 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1k83 h LEU 925 Cb 0.43 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1k83 h LEU 925 CO -0.27 1.06 0.06 1.56 0.09 0.00 0.00 178.44 180.93 1k83 h GLN 926 N 0.55 0.00 -0.02 1.13 1.08 -0.84 0.23 115.11 117.24 1k83 h GLN 926 Ca 0.04 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.09 1k83 h GLN 926 Cb 0.97 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 1k83 h GLN 926 CO 0.09 0.00 -0.66 0.28 -0.95 0.00 0.00 178.83 177.59 1k83 h VAL 927 N 0.00 1.44 -0.17 -0.54 2.07 -1.15 -1.75 116.25 116.15 1k83 h VAL 927 Ca 0.03 -2.20 -0.13 0.00 0.82 0.00 0.00 66.70 65.22 1k83 h VAL 927 Cb 0.14 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1k83 h VAL 927 CO -0.00 0.64 -0.42 -0.07 0.02 0.00 0.00 177.57 177.74 1k83 h LEU 928 N 0.07 0.66 -1.60 2.57 3.38 -0.62 -2.76 115.31 117.01 1k83 h LEU 928 Ca -0.01 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1k83 h LEU 928 Cb 1.18 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1k83 h LEU 928 CO 0.09 1.12 0.00 -0.07 0.09 0.00 0.00 178.44 179.67 1k83 h LEU 929 N 0.24 0.00 0.00 1.67 3.38 -0.99 -2.27 115.31 117.34 1k83 h LEU 929 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1k83 h LEU 929 Cb 1.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1k83 h LEU 929 CO 0.09 0.00 -1.08 0.44 0.09 0.00 0.00 178.44 177.98 1k83 h ASP 930 N 0.00 0.00 -0.25 -0.43 3.32 -1.25 -2.55 116.42 115.26 1k83 h ASP 930 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1k83 h ASP 930 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1k83 h ASP 930 CO 0.00 0.37 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.25 1k83 h GLU 931 N 0.00 0.65 -0.20 3.56 5.08 -1.12 -2.28 114.58 120.27 1k83 h GLU 931 Ca -0.08 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1k83 h GLU 931 Cb 1.35 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1k83 h GLU 931 CO 0.03 0.97 0.07 1.49 -1.00 0.00 0.00 179.01 180.57 1k83 h GLU 932 N 0.36 0.30 -0.46 2.33 4.81 -1.53 -2.19 114.58 118.19 1k83 h GLU 932 Ca 0.03 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1k83 h GLU 932 Cb 0.88 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 1k83 h GLU 932 CO 0.07 0.38 0.09 -0.92 -0.73 0.00 0.00 179.01 177.90 1k83 h TYR 933 N 0.15 0.80 -0.38 0.92 3.20 -1.47 -0.64 116.97 119.54 1k83 h TYR 933 Ca 0.06 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 1k83 h TYR 933 Cb 0.20 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1k83 h TYR 933 CO -0.01 0.74 0.10 0.87 -1.64 0.00 0.00 178.16 178.23 1k83 h LYS 934 N 0.62 0.56 -0.20 1.82 1.57 -1.42 0.41 116.57 119.94 1k83 h LYS 934 Ca 0.14 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 1k83 h LYS 934 Cb 0.37 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1k83 h LYS 934 CO 0.01 0.51 -0.37 0.37 -0.57 0.00 0.00 179.45 179.40 1k83 h GLN 935 N 0.55 0.44 -0.37 3.15 5.75 -0.93 -1.19 115.11 122.51 1k83 h GLN 935 Ca 0.13 -0.21 -0.14 0.00 -0.15 0.00 0.00 58.65 58.28 1k83 h GLN 935 Cb 0.20 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1k83 h GLN 935 CO -0.00 0.75 -0.32 -0.07 -2.65 0.00 0.00 178.83 176.53 1k83 h LEU 936 N 0.37 0.93 -0.84 -2.39 3.38 -0.02 -2.15 115.31 114.59 1k83 h LEU 936 Ca 0.04 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 1k83 h LEU 936 Cb 0.82 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1k83 h LEU 936 CO 0.07 1.19 0.11 0.58 0.09 0.00 0.00 178.44 180.47 1k83 h VAL 937 N 0.68 1.25 -0.02 1.22 2.07 -0.64 -0.77 116.25 120.03 1k83 h VAL 937 Ca 0.07 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1k83 h VAL 937 Cb 0.90 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1k83 h VAL 937 CO 0.08 0.36 0.00 0.11 0.02 0.00 0.00 177.57 178.14 1k83 h LYS 938 N 0.92 0.04 -0.59 1.57 1.57 -1.19 -2.04 116.57 116.85 1k83 h LYS 938 Ca 0.19 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.07 1k83 h LYS 938 Cb 0.39 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.58 1k83 h LYS 938 CO 0.01 0.32 -0.19 -0.44 -0.57 0.00 0.00 179.45 178.58 1k83 h ASP 939 N -0.25 -0.68 -0.53 0.86 5.19 -1.11 0.61 116.42 120.51 1k83 h ASP 939 Ca 0.01 0.19 0.03 0.00 -0.62 0.00 0.00 57.03 56.63 1k83 h ASP 939 Cb 0.31 0.41 -0.04 0.00 0.18 0.00 0.00 39.33 40.19 1k83 h ASP 939 CO 0.00 -0.23 0.32 -0.09 -3.12 0.00 0.00 179.24 176.12 1k83 h ARG 940 N -0.04 0.61 0.53 3.56 2.43 -1.02 0.22 114.38 120.67 1k83 h ARG 940 Ca 0.28 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1k83 h ARG 940 Cb 0.47 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1k83 h ARG 940 CO -0.63 0.40 -0.37 0.87 -1.51 0.00 0.00 179.97 178.74 1k83 h LYS 941 N 0.63 -0.83 -0.48 0.20 1.79 0.25 -1.39 116.57 116.74 1k83 h LYS 941 Ca 0.22 0.06 0.09 0.00 -2.18 0.00 0.00 60.65 58.83 1k83 h LYS 941 Cb 0.03 0.19 -0.10 0.00 -1.58 0.00 0.00 32.23 30.77 1k83 h LYS 941 CO -0.10 -0.56 -0.35 0.35 -1.08 0.00 0.00 179.45 177.71 1k83 h PHE 942 N -0.86 -0.99 -0.88 -1.35 3.57 0.44 -0.69 116.94 116.17 1k83 h PHE 942 Ca -0.06 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1k83 h PHE 942 Cb 0.72 0.51 -0.05 0.00 2.79 0.00 0.00 35.95 39.92 1k83 h PHE 942 CO -0.13 -0.39 0.58 -0.07 -2.23 0.00 0.00 178.31 176.06 1k83 h LEU 943 N -0.23 0.95 -0.28 0.59 3.38 -0.39 -0.03 115.31 119.29 1k83 h LEU 943 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1k83 h LEU 943 Cb 0.55 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1k83 h LEU 943 CO -0.60 0.66 0.00 0.54 0.09 0.00 0.00 178.44 179.12 1k83 n ARG 944 N -4.44 0.05 -0.08 1.13 1.74 -0.29 -0.99 116.66 113.78 1k83 n ARG 944 Ca 0.12 0.40 -0.23 0.00 -0.77 0.00 0.00 57.85 57.37 1k83 n ARG 944 Cb 0.10 -1.61 -0.12 0.00 -1.02 0.00 0.00 32.46 29.80 1k83 n ARG 944 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1k83 n GLU 945 N -1.71 0.63 -0.21 5.56 1.02 -0.07 -3.64 120.64 122.23 1k83 n GLU 945 Ca 0.02 0.41 -0.04 0.00 -0.02 0.00 0.00 57.16 57.52 1k83 n GLU 945 Cb 0.11 -1.68 0.13 0.00 -0.02 0.00 0.00 31.44 29.98 1k83 n GLU 945 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1k83 h VAL 946 N -0.60 1.24 -2.63 2.62 2.07 -0.92 -3.25 116.25 114.79 1k83 h VAL 946 Ca -0.44 -0.83 -0.61 0.00 0.82 0.00 0.00 66.70 65.64 1k83 h VAL 946 Cb 1.62 0.51 -0.42 0.00 -1.52 0.00 0.00 31.29 31.47 1k83 h VAL 946 CO -0.14 0.32 -0.57 0.49 0.02 0.00 0.00 177.57 177.69 1k83 n PHE 947 N -4.27 3.48 0.26 1.57 3.01 -0.16 -4.89 117.46 116.46 1k83 n PHE 947 Ca 0.05 -4.23 0.18 0.00 1.01 0.00 0.00 57.45 54.46 1k83 n PHE 947 Cb 0.21 -0.60 0.86 0.00 -0.01 0.00 0.00 39.48 39.95 1k83 n PHE 947 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1k83 h VAL 948 N 3.76 0.17 0.06 -4.37 2.07 -1.62 -0.93 116.25 115.40 1k83 h VAL 948 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1k83 h VAL 948 Cb 0.70 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1k83 h VAL 948 CO 0.78 0.00 -0.03 -0.78 0.02 0.00 0.00 177.57 177.56 1k83 h ASP 949 N 0.00 -0.07 0.00 0.57 1.82 -1.86 -3.47 116.42 113.41 1k83 h ASP 949 Ca 0.06 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1k83 h ASP 949 Cb 0.61 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.64 1k83 h ASP 949 CO -0.00 0.12 0.00 0.61 -1.61 0.00 0.00 179.24 178.36 1k83 n GLY 950 N -0.64 1.32 3.66 -0.78 0.00 -0.35 -4.66 105.19 103.74 1k83 n GLY 950 Ca -0.08 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.46 1k83 n GLY 950 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k83 n GLU 951 N 0.00 1.97 -0.09 1.61 4.07 -1.26 -4.72 120.64 122.21 1k83 n GLU 951 Ca 0.00 0.71 -0.08 0.00 -0.06 0.00 0.00 57.16 57.73 1k83 n GLU 951 Cb 0.00 -2.47 -0.14 0.00 -0.06 0.00 0.00 31.44 28.76 1k83 n GLU 951 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k83 n ALA 952 N 3.91 1.59 -2.60 4.31 0.00 -1.26 -4.92 120.51 121.55 1k83 n ALA 952 Ca 0.18 -1.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.02 1k83 n ALA 952 Cb 0.27 -0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 1k83 n ALA 952 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1k83 s ASN 953 N -5.21 6.58 -0.00 0.00 0.01 -1.26 -0.31 114.94 114.75 1k83 s ASN 953 Ca -0.09 0.45 0.01 0.00 -0.71 0.00 0.00 52.86 52.53 1k83 s ASN 953 Cb 0.06 -2.39 -0.00 0.00 0.41 0.00 0.00 41.25 39.32 1k83 s ASN 953 CO 0.75 -0.67 -0.05 0.26 -1.51 0.00 0.00 177.10 175.88 1k83 s TRP 954 N 3.01 0.43 0.04 2.20 0.52 0.14 -4.81 118.94 120.47 1k83 s TRP 954 Ca 0.31 -0.09 -0.30 0.00 0.02 0.00 0.00 56.10 56.03 1k83 s TRP 954 Cb -0.14 -0.28 -0.08 0.00 -1.15 0.00 0.00 33.47 31.82 1k83 s TRP 954 CO 0.15 -0.01 1.80 -1.25 0.02 0.00 0.00 176.95 177.66 1k83 s PRO 955 N -0.16 4.16 0.08 4.98 0.04 -1.26 -1.55 135.00 141.29 1k83 s PRO 955 Ca 0.01 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1k83 s PRO 955 Cb -0.02 -3.88 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 1k83 s PRO 955 CO -0.00 -0.86 -0.05 -0.51 0.04 0.00 0.00 177.00 175.62 1k83 s LEU 956 N 3.59 2.50 0.56 -3.56 1.43 0.12 -4.79 118.68 118.52 1k83 s LEU 956 Ca 0.80 -1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1k83 s LEU 956 Cb -0.41 0.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.83 1k83 s LEU 956 CO 0.36 -0.53 0.95 -2.16 0.23 0.00 0.00 176.35 175.19 1k83 s PRO 957 N -3.88 3.66 -0.16 1.29 0.04 -1.26 -0.22 135.00 134.47 1k83 s PRO 957 Ca 0.10 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 1k83 s PRO 957 Cb 0.07 -2.18 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1k83 s PRO 957 CO -0.07 -0.40 0.22 0.28 0.04 0.00 0.00 177.00 177.07 1k83 n VAL 958 N -2.35-12.87 -2.45 -0.36 0.31 -1.26 -4.82 118.33 94.54 1k83 n VAL 958 Ca 0.05 2.81 -0.39 0.00 -0.01 0.00 0.00 64.34 66.79 1k83 n VAL 958 Cb 0.54 -6.46 -0.03 0.00 -0.91 0.00 0.00 33.84 26.98 1k83 n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1k83 s ASN 959 N -0.64 6.07 0.20 4.52 3.84 -1.26 -4.85 114.94 122.81 1k83 s ASN 959 Ca -0.25 -0.69 -0.10 0.00 0.21 0.00 0.00 52.86 52.03 1k83 s ASN 959 Cb 0.02 -2.56 0.13 0.00 -0.55 0.00 0.00 41.25 38.29 1k83 s ASN 959 CO 0.68 -1.88 1.79 0.40 -2.79 0.00 0.00 177.10 175.30 1k83 h ILE 960 N 6.49 1.23 -0.55 -5.21 2.04 -1.98 -2.51 117.51 117.02 1k83 h ILE 960 Ca -0.09 -0.65 0.11 0.00 1.00 0.00 0.00 64.86 65.23 1k83 h ILE 960 Cb 1.05 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1k83 h ILE 960 CO 1.31 0.27 0.37 -0.09 0.00 0.00 0.00 178.15 180.02 1k83 h ARG 961 N 1.01 0.25 0.00 2.37 2.43 -2.00 -1.64 114.38 116.80 1k83 h ARG 961 Ca 0.25 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1k83 h ARG 961 Cb 0.11 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1k83 h ARG 961 CO -0.03 0.17 -0.00 -0.09 -1.51 0.00 0.00 179.97 178.50 1k83 h ARG 962 N 0.26 -0.00 -1.01 0.20 2.43 -1.87 -2.33 114.38 112.05 1k83 h ARG 962 Ca 0.26 0.00 0.25 0.00 -0.81 0.00 0.00 59.98 59.68 1k83 h ARG 962 Cb 0.67 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.10 1k83 h ARG 962 CO -0.05 0.87 0.61 0.82 -1.51 0.00 0.00 179.97 180.71 1k83 h ILE 963 N -0.89 0.53 -0.06 1.20 2.04 -1.06 0.39 117.51 119.66 1k83 h ILE 963 Ca -0.00 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1k83 h ILE 963 Cb 0.88 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1k83 h ILE 963 CO 0.00 0.10 -0.04 0.40 0.00 0.00 0.00 178.15 178.61 1k83 h ILE 964 N 0.55 1.34 -0.36 -0.67 2.04 -1.32 -1.87 117.51 117.22 1k83 h ILE 964 Ca 0.64 -1.09 0.10 0.00 1.00 0.00 0.00 64.86 65.52 1k83 h ILE 964 Cb 1.28 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 1k83 h ILE 964 CO -0.45 0.30 0.26 1.56 0.00 0.00 0.00 178.15 179.81 1k83 h GLN 965 N -0.28 0.00 0.51 2.37 4.20 -0.42 0.34 115.11 121.82 1k83 h GLN 965 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1k83 h GLN 965 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1k83 h GLN 965 CO 0.01 0.00 -0.24 -0.91 -0.67 0.00 0.00 178.83 177.02 1k83 h ASN 966 N 0.00 -0.58 -0.94 1.46 2.35 -0.90 -3.10 115.58 113.86 1k83 h ASN 966 Ca 0.17 0.02 0.25 0.00 -0.55 0.00 0.00 56.30 56.19 1k83 h ASN 966 Cb 0.68 0.15 -0.17 0.00 0.05 0.00 0.00 38.32 39.03 1k83 h ASN 966 CO -0.00 -0.19 0.03 0.00 -1.65 0.00 0.00 177.43 175.62 1k83 h ALA 967 N -1.23 1.10 0.00 -0.83 0.00 -0.43 0.63 119.26 118.50 1k83 h ALA 967 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1k83 h ALA 967 Cb 0.52 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1k83 h ALA 967 CO 0.11 -0.53 0.00 1.04 0.00 0.00 0.00 179.25 179.87 1k83 n GLN 968 N -5.45 0.30 -0.00 0.00 6.02 0.01 -1.64 117.38 116.62 1k83 n GLN 968 Ca 0.21 0.09 -0.01 0.00 -0.01 0.00 0.00 57.00 57.29 1k83 n GLN 968 Cb 0.70 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.45 1k83 n GLN 968 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1k83 n GLN 969 N -1.17 3.32 -0.11 -1.09 -0.06 0.18 -3.52 117.38 114.93 1k83 n GLN 969 Ca 0.08 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.96 1k83 n GLN 969 Cb 0.09 -1.02 -0.03 0.00 -4.06 0.00 0.00 30.24 25.21 1k83 n GLN 969 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 1k83 h THR 970 N 0.00 1.29 -0.67 1.69 2.02 -0.16 -3.06 112.91 114.01 1k83 h THR 970 Ca -0.03 -1.41 -0.13 0.00 0.77 0.00 0.00 66.41 65.62 1k83 h THR 970 Cb 1.05 1.42 -0.08 0.00 -1.74 0.00 0.00 68.15 68.81 1k83 h THR 970 CO 0.00 0.46 0.16 0.49 0.37 0.00 0.00 175.52 177.01 1k83 n PHE 971 N -4.23 2.31 -3.73 3.16 3.01 -0.65 -4.95 117.46 112.38 1k83 n PHE 971 Ca -0.03 -1.00 -0.22 0.00 1.01 0.00 0.00 57.45 57.22 1k83 n PHE 971 Cb 0.46 -0.62 0.01 0.00 -0.01 0.00 0.00 39.48 39.32 1k83 n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1k83 n HIS 972 N 0.18 -0.80 -2.59 1.38 8.25 -1.16 -4.74 115.22 115.74 1k83 n HIS 972 Ca 0.35 0.13 -0.43 0.00 -0.26 0.00 0.00 57.72 57.51 1k83 n HIS 972 Cb 1.31 -1.43 -0.02 0.00 1.12 0.00 0.00 29.99 30.97 1k83 n HIS 972 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1k83 s ILE 973 N -3.79 4.24 -0.06 1.59 1.01 -1.23 -5.00 121.20 117.96 1k83 s ILE 973 Ca 0.19 1.30 -0.27 0.00 0.00 0.00 0.00 60.65 61.87 1k83 s ILE 973 Cb -0.11 -4.54 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 1k83 s ILE 973 CO 0.50 -0.89 0.88 1.51 0.00 0.00 0.00 174.94 176.94 1k83 s ASP 974 N 2.41 7.17 0.00 3.58 -4.77 -1.26 -4.94 116.67 118.87 1k83 s ASP 974 Ca 0.49 1.43 0.00 0.00 -3.30 0.00 0.00 52.55 51.16 1k83 s ASP 974 Cb -0.09 -2.50 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 1k83 s ASP 974 CO 0.29 -0.26 0.50 1.41 0.70 0.00 0.00 175.17 177.81 1k83 n HIS 975 N 4.21 0.00 -0.13 2.11 8.25 -1.26 -3.91 115.22 124.50 1k83 n HIS 975 Ca 0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.24 1k83 n HIS 975 Cb 0.50 -0.09 -0.10 0.00 1.12 0.00 0.00 29.99 31.43 1k83 n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1k83 n THR 976 N -0.01 1.41 -2.73 1.59 -2.24 -1.26 -4.99 114.28 106.05 1k83 n THR 976 Ca 0.00 -0.39 -0.36 0.00 -2.27 0.00 0.00 64.05 61.03 1k83 n THR 976 Cb 0.22 -1.77 -0.06 0.00 -2.10 0.00 0.00 70.33 66.62 1k83 n THR 976 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k83 s LYS 977 N -2.47 4.45 0.90 -0.78 1.02 -1.25 -5.04 119.74 116.57 1k83 s LYS 977 Ca -0.35 1.36 -0.10 0.00 0.02 0.00 0.00 55.97 56.89 1k83 s LYS 977 Cb 0.13 -2.68 0.14 0.00 -0.52 0.00 0.00 37.83 34.90 1k83 s LYS 977 CO 0.47 0.15 1.13 -2.14 -0.92 0.00 0.00 175.35 174.04 1k83 s PRO 978 N -2.26 1.12 0.32 -1.68 0.02 -1.22 -4.99 135.00 126.31 1k83 s PRO 978 Ca 0.53 1.45 -0.10 0.00 0.02 0.00 0.00 61.00 62.90 1k83 s PRO 978 Cb -0.19 -1.75 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 1k83 s PRO 978 CO 0.24 -2.53 0.67 0.45 -0.33 0.00 0.00 177.00 175.49 1k83 s SER 979 N -2.78 6.60 -0.38 2.53 0.15 -0.42 -4.75 113.70 114.65 1k83 s SER 979 Ca 0.66 1.04 0.06 0.00 0.70 0.00 0.00 55.95 58.42 1k83 s SER 979 Cb -0.22 -2.28 0.69 0.00 -1.71 0.00 0.00 66.02 62.51 1k83 s SER 979 CO 0.58 -0.23 1.85 -0.90 1.20 0.00 0.00 173.24 175.74 1k83 n ASP 980 N -0.68 4.24 -4.84 5.45 5.75 -1.26 -0.04 116.55 125.17 1k83 n ASP 980 Ca 0.01 -3.39 -0.34 0.00 -0.01 0.00 0.00 54.79 51.06 1k83 n ASP 980 Cb 0.53 -0.79 -0.06 0.00 -1.03 0.00 0.00 41.12 39.77 1k83 n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1k83 s LEU 981 N -3.08 4.20 0.16 -2.12 1.43 -1.26 -4.51 118.68 113.50 1k83 s LEU 981 Ca 0.55 1.21 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 1k83 s LEU 981 Cb 0.45 -3.73 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1k83 s LEU 981 CO 0.12 -0.06 0.24 -0.89 0.23 0.00 0.00 176.35 175.98 1k83 s THR 982 N -1.74 5.01 0.29 5.49 2.01 -1.26 -4.68 115.64 120.76 1k83 s THR 982 Ca 0.47 -0.86 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 1k83 s THR 982 Cb -0.13 -3.59 0.15 0.00 0.01 0.00 0.00 72.50 68.95 1k83 s THR 982 CO 0.19 -0.12 1.83 0.40 -0.69 0.00 0.00 174.62 176.23 1k83 h ILE 983 N 1.74 1.22 -0.24 1.82 2.04 -1.98 -0.90 117.51 121.22 1k83 h ILE 983 Ca -0.48 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 1k83 h ILE 983 Cb 1.20 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1k83 h ILE 983 CO 0.66 0.30 -0.02 0.11 0.00 0.00 0.00 178.15 179.20 1k83 h LYS 984 N 0.74 0.37 0.06 2.37 1.57 -1.98 -1.45 116.57 118.23 1k83 h LYS 984 Ca 0.16 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1k83 h LYS 984 Cb 0.32 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1k83 h LYS 984 CO 0.00 0.41 -0.12 -0.44 -0.57 0.00 0.00 179.45 178.74 1k83 h ASP 985 N 0.36 -0.33 0.40 0.86 3.32 -1.55 -1.62 116.42 117.86 1k83 h ASP 985 Ca 0.08 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1k83 h ASP 985 Cb 0.28 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1k83 h ASP 985 CO 0.01 -0.17 -0.19 0.40 -1.72 0.00 0.00 179.24 177.56 1k83 h ILE 986 N -0.23 0.05 -0.37 0.35 2.04 -1.21 -1.03 117.51 117.11 1k83 h ILE 986 Ca 0.02 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.31 1k83 h ILE 986 Cb 0.25 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 1k83 h ILE 986 CO -0.08 0.01 0.10 0.58 0.00 0.00 0.00 178.15 178.77 1k83 h VAL 987 N -1.13 0.85 -0.00 1.67 2.07 -1.37 0.01 116.25 118.35 1k83 h VAL 987 Ca -0.06 -0.08 -0.18 0.00 0.82 0.00 0.00 66.70 67.20 1k83 h VAL 987 Cb 0.43 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1k83 h VAL 987 CO 0.09 0.04 -0.83 -0.07 0.02 0.00 0.00 177.57 176.82 1k83 h LEU 988 N 0.24 0.19 0.19 2.57 3.38 -1.44 -2.61 115.31 117.82 1k83 h LEU 988 Ca 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1k83 h LEU 988 Cb 0.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1k83 h LEU 988 CO -0.20 0.93 -0.09 1.23 0.09 0.00 0.00 178.44 180.40 1k83 h GLY 989 N 1.96 -0.26 2.00 0.83 0.00 -0.79 -0.84 103.07 105.97 1k83 h GLY 989 Ca -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1k83 h GLY 989 CO 0.12 -0.10 -0.11 -2.08 0.00 0.00 0.00 176.54 174.38 1k83 h VAL 990 N -0.37 0.38 0.02 4.60 2.07 -1.08 -1.10 116.25 120.77 1k83 h VAL 990 Ca -0.03 -0.61 -0.21 0.00 0.82 0.00 0.00 66.70 66.67 1k83 h VAL 990 Cb 0.28 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1k83 h VAL 990 CO 0.04 0.10 -0.97 0.50 0.02 0.00 0.00 177.57 177.27 1k83 h LYS 991 N 0.00 0.10 0.19 1.57 3.64 -1.09 -3.25 116.57 117.72 1k83 h LYS 991 Ca -0.00 -0.13 -0.31 0.00 -1.27 0.00 0.00 60.65 58.94 1k83 h LYS 991 Cb 0.44 0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1k83 h LYS 991 CO 0.01 0.98 -1.38 0.22 -2.27 0.00 0.00 179.45 177.02 1k83 h ASP 992 N 0.04 0.62 -0.61 4.20 3.58 -0.54 -3.32 116.42 120.39 1k83 h ASP 992 Ca -0.04 -0.67 0.10 0.00 0.42 0.00 0.00 57.03 56.83 1k83 h ASP 992 Cb 1.66 -0.20 -0.07 0.00 1.72 0.00 0.00 39.33 42.44 1k83 h ASP 992 CO 0.14 1.53 0.22 0.25 -2.88 0.00 0.00 179.24 178.49 1k83 h LEU 993 N 0.11 0.20 -1.26 2.28 5.85 -1.28 -1.85 115.31 119.36 1k83 h LEU 993 Ca -0.20 0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.73 1k83 h LEU 993 Cb 2.07 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 43.10 1k83 h LEU 993 CO 0.23 0.12 0.57 1.56 -0.34 0.00 0.00 178.44 180.58 1k83 h GLN 994 N 0.39 0.72 0.00 1.25 4.20 -1.66 0.19 115.11 120.20 1k83 h GLN 994 Ca 0.31 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1k83 h GLN 994 Cb 0.39 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1k83 h GLN 994 CO -0.32 0.47 0.00 0.39 -0.67 0.00 0.00 178.83 178.71 1k83 n GLU 995 N -4.56 0.35 0.00 1.46 -0.58 -0.70 -2.82 120.64 113.79 1k83 n GLU 995 Ca 0.17 0.08 0.05 0.00 -0.42 0.00 0.00 57.16 57.04 1k83 n GLU 995 Cb 0.43 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.79 1k83 n GLU 995 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1k83 n ASN 996 N -1.21 1.13 -4.49 1.62 3.02 0.65 -4.82 115.26 111.15 1k83 n ASN 996 Ca 0.10 -1.07 -0.43 0.00 -0.03 0.00 0.00 54.58 53.16 1k83 n ASN 996 Cb 0.12 0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 1k83 n ASN 996 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k83 s LEU 997 N -1.74 4.55 0.00 3.41 1.43 -1.13 -4.99 118.68 120.22 1k83 s LEU 997 Ca 0.08 -2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 51.01 1k83 s LEU 997 Cb 0.08 -2.46 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 1k83 s LEU 997 CO 0.28 -1.14 0.34 -0.76 0.23 0.00 0.00 176.35 175.29 1k83 s LEU 998 N 3.24 4.41 0.00 1.79 1.43 -1.26 -4.92 118.68 123.37 1k83 s LEU 998 Ca 0.39 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.26 1k83 s LEU 998 Cb -0.03 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1k83 s LEU 998 CO -0.07 0.29 0.00 0.52 0.23 0.00 0.00 176.35 177.32 1k83 n VAL 999 N 1.50 0.00 -4.34 -1.59 0.31 -1.26 -4.83 118.33 108.11 1k83 n VAL 999 Ca -0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.00 1k83 n VAL 999 Cb 0.53 -0.54 -0.13 0.00 -0.91 0.00 0.00 33.84 32.79 1k83 n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1k83 s LEU 1000N -3.38 2.19 -0.02 7.52 1.43 -1.26 -4.90 118.68 120.27 1k83 s LEU 1000Ca 0.00 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1k83 s LEU 1000Cb 0.00 -0.63 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 1k83 s LEU 1000CO 0.00 0.03 0.05 0.54 0.23 0.00 0.00 176.35 177.19 1k83 n ARG 1001N 1.75 1.52 -0.68 1.70 1.74 -1.26 -4.95 116.66 116.48 1k83 n ARG 1001Ca -0.19 -0.02 -0.26 0.00 -0.77 0.00 0.00 57.85 56.61 1k83 n ARG 1001Cb 0.54 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.87 1k83 n ARG 1001CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k83 n GLY 1002N 2.52 -0.23 0.00 -0.13 0.00 -1.26 -4.83 105.19 101.26 1k83 n GLY 1002Ca -0.02 0.32 0.15 0.00 0.00 0.00 0.00 46.02 46.46 1k83 n GLY 1002CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k83 n LYS 1003N 0.65 0.73 -2.23 1.61 4.81 -1.26 -4.36 118.16 118.11 1k83 n LYS 1003Ca 0.09 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.28 1k83 n LYS 1003Cb 0.05 -1.50 0.07 0.00 0.02 0.00 0.00 35.03 33.66 1k83 n LYS 1003CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1k83 s ASN 1004N -2.24 4.85 0.23 3.14 2.20 -1.26 -4.96 114.94 116.90 1k83 s ASN 1004Ca 0.38 0.42 -0.05 0.00 -0.94 0.00 0.00 52.86 52.68 1k83 s ASN 1004Cb 0.20 -1.09 0.23 0.00 -2.00 0.00 0.00 41.25 38.60 1k83 s ASN 1004CO 0.39 -1.57 1.71 -0.08 -2.94 0.00 0.00 177.10 174.62 1k83 h GLU 1005N -0.55 0.89 0.47 3.55 4.57 -1.99 -2.50 114.58 119.03 1k83 h GLU 1005Ca -0.44 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 57.45 1k83 h GLU 1005Cb 1.32 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1k83 h GLU 1005CO 0.60 0.90 -0.24 0.82 -1.18 0.00 0.00 179.01 179.90 1k83 h ILE 1006N 0.83 0.50 -0.26 2.32 2.04 -1.96 -2.18 117.51 118.80 1k83 h ILE 1006Ca 0.15 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.96 1k83 h ILE 1006Cb 0.51 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1k83 h ILE 1006CO 0.03 0.00 -0.09 0.40 0.00 0.00 0.00 178.15 178.48 1k83 h ILE 1007N -0.66 1.20 -0.35 -0.67 1.08 -1.87 -2.05 117.51 114.19 1k83 h ILE 1007Ca -0.06 -0.88 -0.05 0.00 -0.39 0.00 0.00 64.86 63.48 1k83 h ILE 1007Cb 0.52 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.36 1k83 h ILE 1007CO 0.09 0.29 -0.00 1.56 -0.69 0.00 0.00 178.15 179.40 1k83 h GLN 1008N 0.39 0.55 -0.19 2.37 1.08 -1.29 0.89 115.11 118.92 1k83 h GLN 1008Ca 0.08 -0.12 -0.18 0.00 -1.45 0.00 0.00 58.65 56.98 1k83 h GLN 1008Cb 0.41 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1k83 h GLN 1008CO 0.02 0.58 -0.57 -0.91 -0.95 0.00 0.00 178.83 177.00 1k83 h ASN 1009N 0.53 0.84 -0.63 1.46 2.35 -1.00 -1.44 115.58 117.68 1k83 h ASN 1009Ca 0.11 -0.59 0.07 0.00 -0.55 0.00 0.00 56.30 55.34 1k83 h ASN 1009Cb 0.35 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.41 1k83 h ASN 1009CO 0.01 1.28 0.33 0.00 -1.65 0.00 0.00 177.43 177.39 1k83 h ALA 1010N 0.58 0.84 -0.74 -0.83 0.00 -0.81 -0.72 119.26 117.58 1k83 h ALA 1010Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k83 h ALA 1010Cb 1.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1k83 h ALA 1010CO 0.12 -0.03 0.45 0.37 0.00 0.00 0.00 179.25 180.17 1k83 h GLN 1011N 0.60 1.00 -0.02 0.00 5.75 -0.65 -0.20 115.11 121.60 1k83 h GLN 1011Ca 0.29 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1k83 h GLN 1011Cb 0.23 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1k83 h GLN 1011CO -0.21 0.71 -0.34 0.00 -2.65 0.00 0.00 178.83 176.34 1k83 h ARG 1012N 1.01 0.04 0.03 1.69 3.08 -0.33 -2.84 114.38 117.06 1k83 h ARG 1012Ca 0.27 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1k83 h ARG 1012Cb -0.04 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1k83 h ARG 1012CO -0.05 0.38 -0.02 -0.44 -1.07 0.00 0.00 179.97 178.77 1k83 h ASP 1013N 0.03 -0.04 -0.88 7.04 3.32 -0.55 -2.69 116.42 122.65 1k83 h ASP 1013Ca 0.00 -0.58 0.19 0.00 0.02 0.00 0.00 57.03 56.66 1k83 h ASP 1013Cb 0.62 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 1k83 h ASP 1013CO 0.05 0.58 0.58 0.00 -1.72 0.00 0.00 179.24 178.73 1k83 h ALA 1014N 0.23 2.17 -0.03 3.45 0.00 -0.96 -1.51 119.26 122.61 1k83 h ALA 1014Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k83 h ALA 1014Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1k83 h ALA 1014CO 0.01 -0.44 -0.05 0.28 0.00 0.00 0.00 179.25 179.05 1k83 n VAL 1015N -4.51 0.00 0.02 0.00 0.31 -1.08 -4.64 118.33 108.43 1k83 n VAL 1015Ca 0.18 -0.42 -0.09 0.00 -0.01 0.00 0.00 64.34 64.00 1k83 n VAL 1015Cb 0.66 1.27 -0.06 0.00 -0.91 0.00 0.00 33.84 34.80 1k83 n VAL 1015CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1k83 h THR 1016N 3.98 0.00 -0.57 2.52 2.02 -0.92 -0.21 112.91 119.72 1k83 h THR 1016Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1k83 h THR 1016Cb 0.87 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 1k83 h THR 1016CO 0.00 0.00 0.27 0.25 0.37 0.00 0.00 175.52 176.41 1k83 h LEU 1017N -0.37 0.35 -0.89 2.58 5.85 -1.82 -1.86 115.31 119.14 1k83 h LEU 1017Ca 0.01 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1k83 h LEU 1017Cb 0.41 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1k83 h LEU 1017CO -0.22 0.23 0.58 0.15 -0.34 0.00 0.00 178.44 178.84 1k83 h PHE 1018N 0.50 1.09 0.00 1.25 3.57 -1.81 -1.65 116.94 119.89 1k83 h PHE 1018Ca 0.27 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 1k83 h PHE 1018Cb 0.23 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1k83 h PHE 1018CO -0.12 0.64 -0.24 0.00 -2.23 0.00 0.00 178.31 176.36 1k83 h LEU 1021N 0.98 0.46 0.37 0.00 5.85 -1.08 -2.78 115.31 119.11 1k83 h LEU 1021Ca 0.20 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1k83 h LEU 1021Cb 0.41 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1k83 h LEU 1021CO 0.01 0.76 -0.46 0.25 -0.34 0.00 0.00 178.44 178.66 1k83 h LEU 1022N 0.15 -1.28 -2.42 2.25 5.85 -0.64 -1.95 115.31 117.27 1k83 h LEU 1022Ca 0.05 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1k83 h LEU 1022Cb 0.59 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1k83 h LEU 1022CO 0.03 -0.59 0.05 0.03 -0.34 0.00 0.00 178.44 177.62 1k83 h ARG 1023N -0.86 0.00 0.00 1.25 3.08 -1.00 0.99 114.38 117.84 1k83 h ARG 1023Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1k83 h ARG 1023Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1k83 h ARG 1023CO -0.12 0.00 -0.52 0.66 -1.07 0.00 0.00 179.97 178.93 1k83 h SER 1024N 0.00 0.00 0.22 7.04 4.64 -1.15 -2.83 113.55 121.46 1k83 h SER 1024Ca 0.02 -0.13 -0.34 0.00 -0.47 0.00 0.00 61.79 60.87 1k83 h SER 1024Cb 0.12 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.16 1k83 h SER 1024CO -0.00 0.07 -2.07 0.54 -0.87 0.00 0.00 176.83 174.50 1k83 n ARG 1025N -2.29 0.67 -0.93 4.77 5.12 -0.21 -4.28 116.66 119.52 1k83 n ARG 1025Ca 0.03 0.18 -0.08 0.00 -1.93 0.00 0.00 57.85 56.05 1k83 n ARG 1025Cb 0.46 -1.66 0.23 0.00 -1.16 0.00 0.00 32.46 30.32 1k83 n ARG 1025CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1k83 n LEU 1026N -3.05 5.25 -4.75 0.55 4.77 0.17 -4.52 117.00 115.42 1k83 n LEU 1026Ca -0.28 -3.52 -0.41 0.00 -0.03 0.00 0.00 56.01 51.77 1k83 n LEU 1026Cb 1.08 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1k83 n LEU 1026CO 0.42 1.03 0.99 0.00 -1.33 0.00 0.00 177.39 178.50 1k83 s ALA 1027N -3.16 3.53 0.19 -1.18 0.00 -1.07 -4.79 121.76 115.28 1k83 s ALA 1027Ca 0.50 1.16 -0.24 0.00 0.00 0.00 0.00 51.96 53.39 1k83 s ALA 1027Cb 0.43 -3.48 0.08 0.00 0.00 0.00 0.00 23.12 20.14 1k83 s ALA 1027CO 0.07 -0.57 1.49 2.41 0.00 0.00 0.00 175.76 179.16 1k83 n THR 1028N 2.12 -0.58 -0.35 0.00 -1.04 -1.26 -0.85 114.28 112.32 1k83 n THR 1028Ca 0.05 2.29 0.03 0.00 -2.04 0.00 0.00 64.05 64.38 1k83 n THR 1028Cb 0.42 -2.92 0.20 0.00 -1.82 0.00 0.00 70.33 66.20 1k83 n THR 1028CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1k83 h ARG 1029N 0.00 1.10 0.20 -2.82 2.43 -1.85 -1.70 114.38 111.74 1k83 h ARG 1029Ca 0.24 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1k83 h ARG 1029Cb 0.48 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1k83 h ARG 1029CO -0.93 0.73 -0.10 0.00 -1.51 0.00 0.00 179.97 178.17 1k83 h ARG 1030N 1.14 -0.26 0.23 0.20 2.47 -1.20 0.29 114.38 117.25 1k83 h ARG 1030Ca 0.42 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 59.16 1k83 h ARG 1030Cb 0.16 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 1k83 h ARG 1030CO -0.16 -0.16 -0.47 0.28 0.56 0.00 0.00 179.97 180.02 1k83 h VAL 1031N -0.27 0.09 0.28 2.04 2.07 -1.01 0.17 116.25 119.61 1k83 h VAL 1031Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1k83 h VAL 1031Cb 0.21 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1k83 h VAL 1031CO 0.04 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.43 1k83 h LEU 1032N -0.78 -0.32 0.00 2.57 3.38 -1.24 0.59 115.31 119.51 1k83 h LEU 1032Ca -0.01 -0.20 -0.22 0.00 0.09 0.00 0.00 57.88 57.55 1k83 h LEU 1032Cb 0.75 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1k83 h LEU 1032CO -0.20 0.06 -1.16 -0.61 0.09 0.00 0.00 178.44 176.62 1k83 h GLN 1033N -0.74 0.00 0.00 1.13 4.15 -0.50 -3.15 115.11 116.00 1k83 h GLN 1033Ca -0.04 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.25 1k83 h GLN 1033Cb 0.50 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1k83 h GLN 1033CO 0.06 0.75 -1.19 0.39 -1.93 0.00 0.00 178.83 176.91 1k83 n GLU 1034N -3.22 0.52 0.09 1.69 1.02 -0.31 -4.65 120.64 115.78 1k83 n GLU 1034Ca -0.05 0.39 -0.14 0.00 -0.02 0.00 0.00 57.16 57.33 1k83 n GLU 1034Cb 0.94 -1.58 -0.09 0.00 -0.02 0.00 0.00 31.44 30.69 1k83 n GLU 1034CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1k83 h TYR 1035N -1.00 0.53 -2.38 -0.32 0.99 -0.79 -3.48 116.97 110.52 1k83 h TYR 1035Ca -0.20 -0.33 -0.32 0.00 2.00 0.00 0.00 58.73 59.88 1k83 h TYR 1035Cb 1.02 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.69 1k83 h TYR 1035CO -0.21 1.20 -0.42 0.54 -0.00 0.00 0.00 178.16 179.27 1k83 n ARG 1036N -3.64 -1.43 -1.98 4.88 5.12 0.21 -4.96 116.66 114.86 1k83 n ARG 1036Ca -0.07 0.78 -0.36 0.00 -1.93 0.00 0.00 57.85 56.26 1k83 n ARG 1036Cb 0.92 -5.18 0.04 0.00 -1.16 0.00 0.00 32.46 27.07 1k83 n ARG 1036CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1k83 s LEU 1037N -4.69 3.70 0.44 0.55 1.43 -1.20 -4.91 118.68 114.00 1k83 s LEU 1037Ca 0.01 2.45 0.03 0.00 -1.03 0.00 0.00 54.13 55.60 1k83 s LEU 1037Cb -0.01 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 1k83 s LEU 1037CO 0.02 -1.59 0.63 0.42 0.23 0.00 0.00 176.35 176.05 1k83 s THR 1038N -1.53 3.62 0.60 5.49 -4.23 -1.26 -4.67 115.64 113.66 1k83 s THR 1038Ca 0.76 -0.73 0.30 0.00 -1.18 0.00 0.00 61.69 60.85 1k83 s THR 1038Cb -0.32 -3.30 0.36 0.00 1.34 0.00 0.00 72.50 70.58 1k83 s THR 1038CO 0.35 -0.17 2.18 0.50 -0.54 0.00 0.00 174.62 176.94 1k83 h LYS 1039N 0.49 0.00 0.01 3.99 1.63 -1.96 -0.22 116.57 120.51 1k83 h LYS 1039Ca -0.44 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.29 1k83 h LYS 1039Cb 1.27 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 1k83 h LYS 1039CO 0.53 0.00 -0.33 0.37 -3.45 0.00 0.00 179.45 176.58 1k83 h GLN 1040N 0.00 0.02 -0.37 1.90 4.15 -1.95 -2.87 115.11 116.00 1k83 h GLN 1040Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1k83 h GLN 1040Cb 0.25 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1k83 h GLN 1040CO -0.00 1.02 0.24 0.00 -1.93 0.00 0.00 178.83 178.16 1k83 h ALA 1041N -0.09 0.47 -0.21 3.38 0.00 -1.85 -2.57 119.26 118.38 1k83 h ALA 1041Ca -0.08 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1k83 h ALA 1041Cb 1.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1k83 h ALA 1041CO -0.03 -0.06 -0.04 0.35 0.00 0.00 0.00 179.25 179.46 1k83 h PHE 1042N 0.49 -0.09 0.00 0.00 3.57 -1.18 -0.08 116.94 119.65 1k83 h PHE 1042Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1k83 h PHE 1042Cb -0.04 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1k83 h PHE 1042CO -0.05 -0.08 -0.03 -0.44 -2.23 0.00 0.00 178.31 175.48 1k83 h ASP 1043N 0.01 0.00 0.10 0.41 5.19 -1.33 -1.52 116.42 119.29 1k83 h ASP 1043Ca 0.10 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.34 1k83 h ASP 1043Cb 0.15 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.68 1k83 h ASP 1043CO -0.21 0.03 -0.75 -0.25 -3.12 0.00 0.00 179.24 174.95 1k83 h TRP 1044N 0.00 0.56 -0.87 4.55 7.01 -0.88 -3.06 115.95 123.26 1k83 h TRP 1044Ca -0.00 -0.38 0.08 0.00 2.11 0.00 0.00 58.89 60.70 1k83 h TRP 1044Cb 0.10 -0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.06 1k83 h TRP 1044CO 0.00 1.26 0.53 0.28 -2.79 0.00 0.00 178.44 177.72 1k83 h VAL 1045N -0.30 1.00 0.49 2.65 2.07 -0.18 -1.45 116.25 120.53 1k83 h VAL 1045Ca -0.12 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1k83 h VAL 1045Cb 1.54 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1k83 h VAL 1045CO 0.14 0.17 -0.24 -0.07 0.02 0.00 0.00 177.57 177.59 1k83 h LEU 1046N 0.93 -0.56 -2.19 2.57 3.38 -1.37 -2.23 115.31 115.84 1k83 h LEU 1046Ca 0.39 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1k83 h LEU 1046Cb 0.25 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1k83 h LEU 1046CO -0.20 -0.25 -0.06 0.77 0.09 0.00 0.00 178.44 178.79 1k83 h SER 1047N -0.88 0.00 -0.10 -0.43 4.64 -1.42 -1.81 113.55 113.55 1k83 h SER 1047Ca -0.07 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1k83 h SER 1047Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1k83 h SER 1047CO 0.11 0.06 -0.19 0.78 -0.87 0.00 0.00 176.83 176.72 1k83 h ASN 1048N 0.00 0.35 -0.95 4.97 2.35 -1.16 -1.81 115.58 119.32 1k83 h ASN 1048Ca -0.00 -0.55 0.03 0.00 -0.55 0.00 0.00 56.30 55.22 1k83 h ASN 1048Cb 0.15 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 1k83 h ASN 1048CO 0.01 0.83 0.62 0.40 -1.65 0.00 0.00 177.43 177.65 1k83 h ILE 1049N -0.13 1.18 -0.49 2.81 2.04 -0.78 0.14 117.51 122.29 1k83 h ILE 1049Ca 0.00 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 1k83 h ILE 1049Cb 0.77 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1k83 h ILE 1049CO 0.04 0.22 0.03 -0.08 0.00 0.00 0.00 178.15 178.36 1k83 h GLU 1050N 1.23 0.79 0.26 2.37 4.81 -1.29 0.59 114.58 123.34 1k83 h GLU 1050Ca 0.37 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1k83 h GLU 1050Cb -0.04 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1k83 h GLU 1050CO -0.11 0.78 -0.13 0.00 -0.73 0.00 0.00 179.01 178.83 1k83 h ALA 1051N 1.28 -0.35 -0.76 2.92 0.00 -0.32 -2.57 119.26 119.46 1k83 h ALA 1051Ca 0.15 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1k83 h ALA 1051Cb 0.42 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1k83 h ALA 1051CO 0.02 -0.47 0.44 1.96 0.00 0.00 0.00 179.25 181.20 1k83 h GLN 1052N -0.82 0.76 0.45 0.00 4.20 -0.77 -1.25 115.11 117.68 1k83 h GLN 1052Ca -0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1k83 h GLN 1052Cb 0.51 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1k83 h GLN 1052CO 0.06 0.50 -0.45 0.35 -0.67 0.00 0.00 178.83 178.62 1k83 h PHE 1053N 0.78 -1.23 -0.20 2.96 3.57 -0.88 -0.48 116.94 121.46 1k83 h PHE 1053Ca 0.35 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.91 1k83 h PHE 1053Cb 0.24 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1k83 h PHE 1053CO -0.06 -0.61 0.15 -0.07 -2.23 0.00 0.00 178.31 175.48 1k83 h LEU 1054N -0.91 0.00 0.00 0.59 3.38 -1.13 0.83 115.31 118.08 1k83 h LEU 1054Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1k83 h LEU 1054Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1k83 h LEU 1054CO -0.07 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.32 1k83 n ARG 1055N -4.47 0.00 0.00 1.13 0.63 -0.50 -2.83 116.66 110.63 1k83 n ARG 1055Ca 0.02 0.09 0.11 0.00 -0.92 0.00 0.00 57.85 57.15 1k83 n ARG 1055Cb 0.29 -1.50 0.04 0.00 0.45 0.00 0.00 32.46 31.74 1k83 n ARG 1055CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1k83 n SER 1056N -1.50 0.97 -4.78 6.15 7.64 0.29 -4.95 113.62 117.44 1k83 n SER 1056Ca 0.06 -0.82 -0.35 0.00 1.01 0.00 0.00 58.87 58.76 1k83 n SER 1056Cb 0.28 0.65 -0.01 0.00 -1.01 0.00 0.00 64.21 64.12 1k83 n SER 1056CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1k83 s VAL 1057N -2.90 3.31 0.31 0.44 1.01 -1.13 -1.25 120.40 120.19 1k83 s VAL 1057Ca 0.11 0.86 -0.27 0.00 0.00 0.00 0.00 61.98 62.68 1k83 s VAL 1057Cb 0.17 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 1k83 s VAL 1057CO 0.76 -0.13 1.02 0.54 0.00 0.00 0.00 175.10 177.29 1k83 s VAL 1058N -1.76 3.80 -0.02 2.92 0.11 -0.09 -4.53 120.40 120.83 1k83 s VAL 1058Ca 0.69 1.63 -0.18 0.00 -2.93 0.00 0.00 61.98 61.19 1k83 s VAL 1058Cb -0.23 -3.97 -0.05 0.00 -1.53 0.00 0.00 36.38 30.59 1k83 s VAL 1058CO 0.27 0.26 0.51 -1.00 -3.33 0.00 0.00 175.10 171.80 1k83 s HIS 1059N -1.38 3.68 0.38 1.54 0.09 -1.26 -4.97 115.29 113.36 1k83 s HIS 1059Ca 0.48 1.08 -0.27 0.00 -0.00 0.00 0.00 55.06 56.35 1k83 s HIS 1059Cb -0.26 -2.48 -0.11 0.00 -0.00 0.00 0.00 32.58 29.73 1k83 s HIS 1059CO 0.32 0.43 1.34 -2.30 -0.00 0.00 0.00 174.74 174.54 1k83 n PRO 1060N 2.51 2.23 0.00 8.40 -0.02 -1.26 -2.29 135.00 144.56 1k83 n PRO 1060Ca -0.10 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1k83 n PRO 1060Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1k83 n PRO 1060CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k83 n GLY 1061N 0.68 0.59 3.66 -1.23 0.00 0.96 -4.95 105.19 104.90 1k83 n GLY 1061Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1k83 n GLY 1061CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k83 s GLU 1062N -0.62 4.16 -1.29 1.61 0.41 -0.97 -1.73 118.70 120.28 1k83 s GLU 1062Ca 0.00 2.15 -0.17 0.00 -0.41 0.00 0.00 54.97 56.54 1k83 s GLU 1062Cb 0.00 -3.98 0.01 0.00 -1.78 0.00 0.00 34.13 28.37 1k83 s GLU 1062CO 0.00 -0.86 2.06 -1.33 -0.49 0.00 0.00 175.26 174.64 1k83 n MET 1063N 7.14 2.62 0.25 1.61 2.81 -1.26 -2.12 117.12 128.17 1k83 n MET 1063Ca 0.17 -2.61 0.12 0.00 -1.81 0.00 0.00 57.70 53.57 1k83 n MET 1063Cb 0.43 -3.30 0.67 0.00 -0.71 0.00 0.00 33.22 30.31 1k83 n MET 1063CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1k83 h VAL 1064N 4.53 0.57 0.18 2.03 2.07 -1.89 -2.46 116.25 121.29 1k83 h VAL 1064Ca 0.50 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1k83 h VAL 1064Cb 0.71 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1k83 h VAL 1064CO 1.77 0.14 -0.09 1.23 0.02 0.00 0.00 177.57 180.65 1k83 h GLY 1065N 1.11 -0.26 0.86 2.17 0.00 -1.65 -0.12 103.07 105.18 1k83 h GLY 1065Ca -0.00 0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.45 1k83 h GLY 1065CO 0.02 -0.09 0.42 -2.08 0.00 0.00 0.00 176.54 174.80 1k83 h VAL 1066N -0.83 1.08 -0.57 4.60 2.07 -1.70 0.20 116.25 121.10 1k83 h VAL 1066Ca -0.03 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.33 1k83 h VAL 1066Cb 0.52 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 30.40 1k83 h VAL 1066CO 0.04 0.15 0.03 0.25 0.02 0.00 0.00 177.57 178.06 1k83 h LEU 1067N 0.81 -0.19 -0.15 2.57 5.85 -1.40 -0.20 115.31 122.60 1k83 h LEU 1067Ca 0.27 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 1k83 h LEU 1067Cb 0.03 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1k83 h LEU 1067CO -0.11 -0.07 -0.03 0.00 -0.34 0.00 0.00 178.44 177.89 1k83 h ALA 1068N 1.50 0.20 -0.34 1.25 0.00 0.14 -1.29 119.26 120.72 1k83 h ALA 1068Ca 0.30 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1k83 h ALA 1068Cb 0.46 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1k83 h ALA 1068CO -0.46 -0.05 -0.08 0.00 0.00 0.00 0.00 179.25 178.65 1k83 h ALA 1069N 0.72 0.23 0.00 0.00 0.00 -0.08 -1.38 119.26 118.75 1k83 h ALA 1069Ca 0.04 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1k83 h ALA 1069Cb 0.44 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1k83 h ALA 1069CO 0.01 -0.46 -0.17 1.96 0.00 0.00 0.00 179.25 180.60 1k83 h GLN 1070N 0.00 0.00 0.00 0.00 4.20 -1.00 0.17 115.11 118.48 1k83 h GLN 1070Ca 0.17 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1k83 h GLN 1070Cb 0.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1k83 h GLN 1070CO -0.35 0.17 -0.29 0.77 -0.67 0.00 0.00 178.83 178.45 1k83 h SER 1071N 0.00 0.00 0.06 1.46 0.02 -0.15 -2.04 113.55 112.91 1k83 h SER 1071Ca -0.00 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.57 1k83 h SER 1071Cb 0.57 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 1k83 h SER 1071CO 0.02 0.29 -2.27 -0.38 -1.14 0.00 0.00 176.83 173.35 1k83 n ILE 1072N -3.22 1.60 -0.08 3.27 5.41 -0.86 -4.36 119.36 121.11 1k83 n ILE 1072Ca 0.02 -0.62 -0.14 0.00 1.00 0.00 0.00 62.75 63.01 1k83 n ILE 1072Cb 0.60 -1.49 -0.05 0.00 -0.71 0.00 0.00 39.64 37.99 1k83 n ILE 1072CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1k83 h GLY 1073N 1.77 0.76 0.34 7.39 0.00 -0.74 -2.96 103.07 109.62 1k83 h GLY 1073Ca -0.51 -0.82 0.03 0.00 0.00 0.00 0.00 47.33 46.02 1k83 h GLY 1073CO -0.01 0.74 -0.32 -2.09 0.00 0.00 0.00 176.54 174.86 1k83 h GLU 1074N 0.42 -0.47 0.00 4.80 4.22 -1.58 -1.17 114.58 120.79 1k83 h GLU 1074Ca 0.03 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.48 1k83 h GLU 1074Cb 0.93 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1k83 h GLU 1074CO 0.08 -0.31 -0.11 -1.00 -2.18 0.00 0.00 179.01 175.49 1k83 h PRO 1075N -0.49 0.00 0.00 0.92 0.13 -1.76 -0.75 132.00 130.05 1k83 h PRO 1075Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1k83 h PRO 1075Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1k83 h PRO 1075CO -0.25 0.11 0.00 0.00 -0.23 0.00 0.00 178.00 177.63 1k83 n ALA 1076N -2.24 1.98 -1.62 -0.56 0.00 -0.47 -1.57 120.51 116.02 1k83 n ALA 1076Ca -0.01 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 1k83 n ALA 1076Cb 0.25 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 18.48 1k83 n ALA 1076CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1k83 n THR 1077N -1.24 3.08 -1.74 0.00 -1.04 -0.29 -4.17 114.28 108.89 1k83 n THR 1077Ca 0.09 -3.42 0.00 0.00 -2.04 0.00 0.00 64.05 58.69 1k83 n THR 1077Cb 0.13 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 1k83 n THR 1077CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k83 n GLN 1078N -0.86 0.00 -3.34 -2.82 1.13 -0.61 -5.06 117.38 105.83 1k83 n GLN 1078Ca 0.53 -0.25 -0.46 0.00 -1.94 0.00 0.00 57.00 54.88 1k83 n GLN 1078Cb 0.85 -0.19 -0.03 0.00 0.11 0.00 0.00 30.24 30.98 1k83 n GLN 1078CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1k83 s MET 1079N 0.00 3.44 -0.08 -1.09 -1.94 -1.25 -5.03 119.30 113.35 1k83 s MET 1079Ca 0.00 -2.30 0.04 0.00 -1.71 0.00 0.00 55.69 51.71 1k83 s MET 1079Cb 0.00 -4.38 0.00 0.00 2.01 0.00 0.00 34.83 32.47 1k83 s MET 1079CO 0.00 -1.29 -0.20 0.99 -0.01 0.00 0.00 175.02 174.51 1k83 s THR 1080N 0.46 1.73 0.00 2.05 2.01 -1.26 -4.78 115.64 115.85 1k83 s THR 1080Ca 0.15 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1k83 s THR 1080Cb -0.15 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 70.85 1k83 s THR 1080CO -0.06 0.49 0.00 0.18 -0.69 0.00 0.00 174.62 174.53 1k83 n LEU 1081N 3.57 0.00 0.00 4.42 4.77 -1.26 -5.15 117.00 123.35 1k83 n LEU 1081Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1k83 n LEU 1081Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1k83 n LEU 1081CO 0.27 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.62 1k83 n LYS 1092N 0.00 0.00 -3.48 3.23 5.02 -1.26 -5.01 118.16 116.66 1k83 n LYS 1092Ca 0.00 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1k83 n LYS 1092Cb 0.00 -1.92 -0.04 0.00 -0.02 0.00 0.00 35.03 33.05 1k83 n LYS 1092CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k83 s LYS 1093N -0.49 3.54 0.20 1.97 1.02 -1.26 -4.97 119.74 119.75 1k83 s LYS 1093Ca 0.00 -2.95 -0.04 0.00 0.02 0.00 0.00 55.97 53.01 1k83 s LYS 1093Cb 0.00 -4.23 0.01 0.00 -0.52 0.00 0.00 37.83 33.10 1k83 s LYS 1093CO 0.00 -1.25 0.32 0.28 -0.92 0.00 0.00 175.35 173.79 1k83 n VAL 1094N 3.03 0.00 -3.96 3.17 0.31 -1.26 -5.13 118.33 114.49 1k83 n VAL 1094Ca 0.18 -0.81 -0.35 0.00 -0.01 0.00 0.00 64.34 63.35 1k83 n VAL 1094Cb 0.40 0.57 -0.10 0.00 -0.91 0.00 0.00 33.84 33.80 1k83 n VAL 1094CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1k83 s THR 1095N -2.60 4.72 0.00 2.52 2.01 -1.26 -5.06 115.64 115.97 1k83 s THR 1095Ca 0.13 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1k83 s THR 1095Cb -0.01 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1k83 s THR 1095CO 0.10 0.43 0.00 -1.54 -0.69 0.00 0.00 174.62 172.91 1k83 n SER 1096N 3.84 0.16 -0.46 3.53 3.41 -1.26 -4.73 113.62 118.12 1k83 n SER 1096Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1k83 n SER 1096Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1k83 n SER 1096CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k83 n GLY 1097N 0.68 -0.30 0.25 5.00 0.00 -1.26 -2.23 105.19 107.32 1k83 n GLY 1097Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 1k83 n GLY 1097CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k83 h VAL 1098N 0.00 0.36 -1.03 1.61 2.07 -1.90 -0.16 116.25 117.21 1k83 h VAL 1098Ca 0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 1k83 h VAL 1098Cb 0.00 0.36 -0.12 0.00 -1.52 0.00 0.00 31.29 30.01 1k83 h VAL 1098CO 0.00 0.00 0.62 1.55 0.02 0.00 0.00 177.57 179.76 1k83 h PRO 1099N -0.01 0.48 -0.00 1.57 0.13 -1.99 0.41 132.00 132.59 1k83 h PRO 1099Ca 0.30 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.40 1k83 h PRO 1099Cb 0.47 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.49 1k83 h PRO 1099CO -0.65 0.32 -0.02 -0.09 -0.23 0.00 0.00 178.00 177.32 1k83 h ARG 1100N 0.49 0.02 -0.96 0.86 9.65 -0.60 -2.43 114.38 121.41 1k83 h ARG 1100Ca 0.64 -0.02 0.18 0.00 -1.10 0.00 0.00 59.98 59.69 1k83 h ARG 1100Cb 1.38 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.88 1k83 h ARG 1100CO -0.43 0.76 0.61 1.25 2.80 0.00 0.00 179.97 184.96 1k83 h LEU 1101N -0.72 0.67 -0.78 3.80 5.85 -0.22 0.11 115.31 124.02 1k83 h LEU 1101Ca -0.00 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 1k83 h LEU 1101Cb 0.77 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1k83 h LEU 1101CO 0.00 0.27 -0.37 0.50 -0.34 0.00 0.00 178.44 178.50 1k83 h LYS 1102N 0.67 0.48 -0.40 1.25 3.64 -0.23 -0.47 116.57 121.50 1k83 h LYS 1102Ca 0.52 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1k83 h LYS 1102Cb 0.93 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1k83 h LYS 1102CO -0.29 0.78 0.11 1.49 -2.27 0.00 0.00 179.45 179.27 1k83 h GLU 1103N 0.40 0.64 0.66 1.90 4.81 -0.33 -1.00 114.58 121.66 1k83 h GLU 1103Ca 0.04 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1k83 h GLU 1103Cb 0.84 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.14 1k83 h GLU 1103CO 0.07 0.65 -0.32 0.82 -0.73 0.00 0.00 179.01 179.50 1k83 h ILE 1104N 0.51 0.00 -0.59 2.32 2.04 -0.89 -1.50 117.51 119.40 1k83 h ILE 1104Ca 0.13 -0.03 0.17 0.00 1.00 0.00 0.00 64.86 66.13 1k83 h ILE 1104Cb 0.29 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1k83 h ILE 1104CO -0.00 0.00 0.49 -0.07 0.00 0.00 0.00 178.15 178.57 1k83 h LEU 1105N -0.92 0.00 0.00 1.44 3.38 -1.08 0.32 115.31 118.45 1k83 h LEU 1105Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1k83 h LEU 1105Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1k83 h LEU 1105CO 0.15 0.00 -0.14 0.78 0.09 0.00 0.00 178.44 179.32 1k83 h ASN 1106N 0.00 0.00 -5.96 -0.43 2.35 -0.96 -0.60 115.58 109.99 1k83 h ASN 1106Ca 0.28 -0.02 -0.41 0.00 -0.55 0.00 0.00 56.30 55.61 1k83 h ASN 1106Cb 1.27 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.73 1k83 h ASN 1106CO -0.00 0.01 -0.74 0.52 -1.65 0.00 0.00 177.43 175.57 1k83 n VAL 1107N -2.73 -3.51 -2.03 2.81 0.31 0.11 -4.77 118.33 108.52 1k83 n VAL 1107Ca 0.04 -0.16 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 1k83 n VAL 1107Cb 0.49 -3.87 -0.03 0.00 -0.91 0.00 0.00 33.84 29.53 1k83 n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k83 s ALA 1108N -3.37 3.65 -1.88 3.52 0.00 -1.04 -4.90 121.76 117.75 1k83 s ALA 1108Ca 0.42 1.10 0.29 0.00 0.00 0.00 0.00 51.96 53.77 1k83 s ALA 1108Cb -0.20 -3.66 1.69 0.00 0.00 0.00 0.00 23.12 20.96 1k83 s ALA 1108CO 0.77 -1.04 2.07 1.17 0.00 0.00 0.00 175.76 178.73 1k83 n LYS 1109N 5.54 0.81 -3.09 0.00 3.00 -1.26 -3.95 118.16 119.21 1k83 n LYS 1109Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.22 1k83 n LYS 1109Cb 0.42 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.90 1k83 n LYS 1109CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1k83 n ASN 1110N -1.06 3.18 -4.45 3.14 3.02 -1.26 -5.08 115.26 112.74 1k83 n ASN 1110Ca 0.20 -3.42 -0.39 0.00 -0.03 0.00 0.00 54.58 50.95 1k83 n ASN 1110Cb 0.13 -0.60 0.03 0.00 -0.61 0.00 0.00 39.78 38.73 1k83 n ASN 1110CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1k83 n MET 1111N 0.14 0.49 0.08 3.52 2.81 -1.25 -4.89 117.12 118.02 1k83 n MET 1111Ca 0.29 0.19 -0.10 0.00 -1.81 0.00 0.00 57.70 56.27 1k83 n MET 1111Cb 0.47 -1.60 -0.05 0.00 -0.71 0.00 0.00 33.22 31.32 1k83 n MET 1111CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1k83 h LYS 1112N 0.36 0.18 -2.21 0.03 1.57 -1.98 -3.38 116.57 111.13 1k83 h LYS 1112Ca -0.44 -0.23 -0.56 0.00 -1.87 0.00 0.00 60.65 57.54 1k83 h LYS 1112Cb 1.40 0.08 -0.41 0.00 0.08 0.00 0.00 32.23 33.37 1k83 h LYS 1112CO 0.48 1.02 -0.79 2.41 -0.57 0.00 0.00 179.45 182.00 1k83 n THR 1113N -3.58 2.23 -1.60 -0.16 -1.04 -1.26 -5.07 114.28 103.80 1k83 n THR 1113Ca -0.04 -5.32 -0.43 0.00 -2.04 0.00 0.00 64.05 56.22 1k83 n THR 1113Cb 0.87 -1.11 -0.03 0.00 -1.82 0.00 0.00 70.33 68.24 1k83 n THR 1113CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1k83 n PRO 1114N -0.10 1.96 -4.46 -2.82 -0.02 -1.26 -4.91 135.00 123.40 1k83 n PRO 1114Ca 0.29 0.54 -0.28 0.00 -2.02 0.00 0.00 63.50 62.03 1k83 n PRO 1114Cb 0.46 -3.23 -0.13 0.00 -0.02 0.00 0.00 33.50 30.58 1k83 n PRO 1114CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1k83 s SER 1115N 8.28 3.12 -0.06 2.55 0.15 -1.26 0.57 113.70 127.05 1k83 s SER 1115Ca 1.01 -0.70 0.05 0.00 0.70 0.00 0.00 55.95 57.01 1k83 s SER 1115Cb -0.34 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 63.74 1k83 s SER 1115CO 0.35 0.17 -0.23 -0.22 1.20 0.00 0.00 173.24 174.51 1k83 s LEU 1116N -1.87 2.03 -0.24 3.45 2.96 -1.19 -2.84 118.68 120.98 1k83 s LEU 1116Ca 0.12 -0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1k83 s LEU 1116Cb -0.10 -1.29 0.03 0.00 0.50 0.00 0.00 46.19 45.34 1k83 s LEU 1116CO 0.05 0.21 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.30 1k83 s THR 1117N -0.06 2.57 -0.12 3.68 2.01 0.34 -0.95 115.64 123.12 1k83 s THR 1117Ca -0.05 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 60.84 1k83 s THR 1117Cb -0.14 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 1k83 s THR 1117CO 0.04 0.23 -0.18 0.68 -0.69 0.00 0.00 174.62 174.70 1k83 s VAL 1118N 1.28 2.60 0.24 3.82 -7.23 -0.50 -0.86 120.40 119.74 1k83 s VAL 1118Ca -0.01 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.38 1k83 s VAL 1118Cb -0.17 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 1k83 s VAL 1118CO -0.06 0.54 0.39 -0.31 -0.31 0.00 0.00 175.10 175.34 1k83 s TYR 1119N 0.36 3.47 0.34 2.82 1.51 -1.26 -1.46 117.35 123.12 1k83 s TYR 1119Ca -0.14 0.09 -0.06 0.00 -1.01 0.00 0.00 57.07 55.95 1k83 s TYR 1119Cb -0.17 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1k83 s TYR 1119CO 0.07 0.39 0.62 -0.51 -1.11 0.00 0.00 175.55 175.01 1k83 s LEU 1120N -3.90 3.96 0.35 -1.29 1.02 -1.26 -1.68 118.68 115.89 1k83 s LEU 1120Ca 0.35 0.80 -0.25 0.00 0.02 0.00 0.00 54.13 55.05 1k83 s LEU 1120Cb -0.09 -3.65 -0.13 0.00 0.02 0.00 0.00 46.19 42.33 1k83 s LEU 1120CO 0.30 -0.29 0.81 1.21 0.02 0.00 0.00 176.35 178.41 1k83 n GLU 1121N -1.23 0.96 -0.18 1.70 2.13 -0.71 -4.27 120.64 119.04 1k83 n GLU 1121Ca -0.01 0.34 -0.05 0.00 0.66 0.00 0.00 57.16 58.11 1k83 n GLU 1121Cb 0.54 -1.69 -0.04 0.00 0.27 0.00 0.00 31.44 30.52 1k83 n GLU 1121CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1k83 n PRO 1122N 0.58 -0.19 -0.05 5.31 -0.02 -1.26 -1.67 135.00 137.71 1k83 n PRO 1122Ca 0.11 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1k83 n PRO 1122Cb 0.35 -1.26 0.02 0.00 -0.02 0.00 0.00 33.50 32.59 1k83 n PRO 1122CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k83 n GLY 1123N -1.11 1.66 2.68 -1.23 0.00 -1.26 -4.07 105.19 101.87 1k83 n GLY 1123Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 1k83 n GLY 1123CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1k83 n HIS 1124N 0.09 -0.35 1.03 1.61 8.25 -0.67 -4.90 115.22 120.27 1k83 n HIS 1124Ca 0.02 -2.38 0.11 0.00 -0.26 0.00 0.00 57.72 55.20 1k83 n HIS 1124Cb 0.34 0.46 0.02 0.00 1.12 0.00 0.00 29.99 31.92 1k83 n HIS 1124CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k83 n ALA 1125N -0.35 4.00 -0.02 -1.41 0.00 -1.25 -4.20 120.51 117.28 1k83 n ALA 1125Ca 0.03 -0.57 0.08 0.00 0.00 0.00 0.00 53.44 52.98 1k83 n ALA 1125Cb 0.83 -0.85 -0.15 0.00 0.00 0.00 0.00 19.45 19.28 1k83 n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k83 n ALA 1126N -0.84 2.60 -2.02 0.00 0.00 -1.26 -1.78 120.51 117.21 1k83 n ALA 1126Ca 0.07 -0.55 -0.26 0.00 0.00 0.00 0.00 53.44 52.70 1k83 n ALA 1126Cb 0.39 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 1k83 n ALA 1126CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k83 s ASP 1127N -4.37 4.96 0.21 0.00 1.01 -1.26 -4.73 116.67 112.49 1k83 s ASP 1127Ca -0.07 -1.16 0.08 0.00 0.71 0.00 0.00 52.55 52.11 1k83 s ASP 1127Cb 0.12 -2.58 0.46 0.00 1.01 0.00 0.00 42.92 41.93 1k83 s ASP 1127CO 0.81 -3.05 1.12 1.67 0.21 0.00 0.00 175.17 175.93 1k83 n GLN 1128N 8.54 0.06 0.00 8.23 -0.06 -1.26 0.30 117.38 133.18 1k83 n GLN 1128Ca 0.43 0.47 -0.04 0.00 -2.00 0.00 0.00 57.00 55.86 1k83 n GLN 1128Cb 0.47 -1.96 -0.11 0.00 -4.06 0.00 0.00 30.24 24.57 1k83 n GLN 1128CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 1k83 n GLU 1129N -1.79 0.63 0.14 3.69 2.13 -1.26 -2.93 120.64 121.25 1k83 n GLU 1129Ca -0.01 0.25 0.03 0.00 0.66 0.00 0.00 57.16 58.10 1k83 n GLU 1129Cb 0.29 -1.79 0.04 0.00 0.27 0.00 0.00 31.44 30.24 1k83 n GLU 1129CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1k83 h GLN 1130N 0.00 0.00 -0.18 5.31 4.15 -0.51 -2.59 115.11 121.29 1k83 h GLN 1130Ca -0.23 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.07 1k83 h GLN 1130Cb 1.81 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.49 1k83 h GLN 1130CO 0.06 0.44 -0.38 0.00 -1.93 0.00 0.00 178.83 177.02 1k83 h ALA 1131N 1.55 1.02 -0.13 3.38 0.00 -1.42 -1.94 119.26 121.72 1k83 h ALA 1131Ca -0.01 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 1k83 h ALA 1131Cb 1.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1k83 h ALA 1131CO 0.06 0.60 -0.72 0.87 0.00 0.00 0.00 179.25 180.06 1k83 h LYS 1132N 0.33 0.58 -0.15 0.00 1.57 -1.40 -2.07 116.57 115.43 1k83 h LYS 1132Ca 0.03 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1k83 h LYS 1132Cb 0.82 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1k83 h LYS 1132CO 0.07 1.08 0.00 -0.07 -0.57 0.00 0.00 179.45 179.96 1k83 h LEU 1133N 0.40 0.25 -1.20 2.94 3.38 -1.29 -2.15 115.31 117.63 1k83 h LEU 1133Ca -0.03 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1k83 h LEU 1133Cb 1.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1k83 h LEU 1133CO 0.13 0.49 0.06 0.40 0.09 0.00 0.00 178.44 179.62 1k83 h ILE 1134N -0.00 1.20 -0.33 1.22 2.04 -1.39 -1.03 117.51 119.22 1k83 h ILE 1134Ca 0.04 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1k83 h ILE 1134Cb 0.37 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1k83 h ILE 1134CO 0.01 0.26 0.21 -0.09 0.00 0.00 0.00 178.15 178.55 1k83 h ARG 1135N 0.59 0.43 0.00 2.37 2.43 -1.14 -1.77 114.38 117.28 1k83 h ARG 1135Ca 0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1k83 h ARG 1135Cb 0.29 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1k83 h ARG 1135CO 0.00 0.28 0.00 0.66 -1.51 0.00 0.00 179.97 179.41 1k83 h SER 1136N 0.44 0.00 0.86 -3.80 4.64 -0.96 -0.48 113.55 114.25 1k83 h SER 1136Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1k83 h SER 1136Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1k83 h SER 1136CO -0.03 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 175.23 1k83 h ALA 1137N 2.39 0.55 0.00 5.18 0.00 -0.43 -3.38 119.26 123.57 1k83 h ALA 1137Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1k83 h ALA 1137Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1k83 h ALA 1137CO 0.00 0.00 -2.37 -0.89 0.00 0.00 0.00 179.25 175.99 1k83 n ILE 1138N -2.19 1.36 -1.68 0.00 5.41 -0.74 -3.76 119.36 117.77 1k83 n ILE 1138Ca 0.03 -0.42 -0.45 0.00 1.00 0.00 0.00 62.75 62.90 1k83 n ILE 1138Cb 0.45 -1.63 -0.04 0.00 -0.71 0.00 0.00 39.64 37.72 1k83 n ILE 1138CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1k83 n GLU 1139N -3.73 2.31 -2.30 0.38 2.13 -0.20 0.07 120.64 119.30 1k83 n GLU 1139Ca -0.46 0.84 -0.41 0.00 0.66 0.00 0.00 57.16 57.79 1k83 n GLU 1139Cb 0.89 -2.64 -0.03 0.00 0.27 0.00 0.00 31.44 29.93 1k83 n GLU 1139CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1k83 s HIS 1140N 1.62 3.34 -0.11 4.31 5.65 0.14 -3.77 115.29 126.47 1k83 s HIS 1140Ca 0.81 1.48 -0.04 0.00 0.25 0.00 0.00 55.06 57.56 1k83 s HIS 1140Cb -0.64 -3.48 0.06 0.00 -1.18 0.00 0.00 32.58 27.34 1k83 s HIS 1140CO 0.39 -1.29 0.17 0.99 -0.65 0.00 0.00 174.74 174.35 1k83 s THR 1141N -0.73 -0.27 0.40 0.89 2.01 0.00 -4.88 115.64 113.06 1k83 s THR 1141Ca 0.49 0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.81 1k83 s THR 1141Cb -0.35 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 1k83 s THR 1141CO 0.43 0.06 0.36 0.42 -0.69 0.00 0.00 174.62 175.20 1k83 s THR 1142N 2.30 2.82 0.49 -0.82 -4.23 -1.26 -0.25 115.64 114.68 1k83 s THR 1142Ca 0.04 -1.36 0.14 0.00 -1.18 0.00 0.00 61.69 59.33 1k83 s THR 1142Cb -0.13 -3.03 0.25 0.00 1.34 0.00 0.00 72.50 70.93 1k83 s THR 1142CO -0.07 -0.04 2.11 0.25 -0.54 0.00 0.00 174.62 176.33 1k83 h LEU 1143N 1.08 0.09 -1.84 4.79 5.85 -1.72 -1.89 115.31 121.67 1k83 h LEU 1143Ca -0.42 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.38 1k83 h LEU 1143Cb 1.26 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1k83 h LEU 1143CO 0.58 0.09 0.28 0.50 -0.34 0.00 0.00 178.44 179.55 1k83 h LYS 1144N 0.10 0.19 0.00 1.25 3.64 -1.65 -1.22 116.57 118.88 1k83 h LYS 1144Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1k83 h LYS 1144Cb 0.04 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1k83 h LYS 1144CO -0.00 0.12 0.00 -1.13 -2.27 0.00 0.00 179.45 176.17 1k83 n SER 1145N -4.46 0.03 0.00 4.20 3.41 -0.71 -3.68 113.62 112.41 1k83 n SER 1145Ca 0.06 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1k83 n SER 1145Cb 0.34 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1k83 n SER 1145CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1k83 n VAL 1146N -1.53 0.01 -3.67 -3.33 0.31 -0.54 -4.92 118.33 104.67 1k83 n VAL 1146Ca 0.06 -0.42 -0.36 0.00 -0.01 0.00 0.00 64.34 63.60 1k83 n VAL 1146Cb 0.30 1.16 -0.07 0.00 -0.91 0.00 0.00 33.84 34.32 1k83 n VAL 1146CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1k83 s THR 1147N -0.01 5.35 -0.12 2.52 2.01 -0.75 -1.32 115.64 123.31 1k83 s THR 1147Ca 0.00 0.40 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 1k83 s THR 1147Cb 0.00 -3.54 -0.18 0.00 0.01 0.00 0.00 72.50 68.79 1k83 s THR 1147CO 0.00 0.48 0.55 0.40 -0.69 0.00 0.00 174.62 175.36 1k83 h ILE 1148N 4.40 1.23 -2.56 1.82 2.04 0.18 -3.46 117.51 121.16 1k83 h ILE 1148Ca -0.46 -1.90 -0.04 0.00 1.00 0.00 0.00 64.86 63.46 1k83 h ILE 1148Cb 1.18 2.32 -0.15 0.00 -0.74 0.00 0.00 36.82 39.43 1k83 h ILE 1148CO 0.70 0.41 0.20 0.00 0.00 0.00 0.00 178.15 179.47 1k83 s ALA 1149N -2.38 -1.67 -0.00 1.87 0.00 -1.15 -5.00 121.76 113.42 1k83 s ALA 1149Ca -0.13 0.86 0.08 0.00 0.00 0.00 0.00 51.96 52.77 1k83 s ALA 1149Cb -0.02 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1k83 s ALA 1149CO 0.48 -0.59 -0.26 -1.54 0.00 0.00 0.00 175.76 173.85 1k83 s SER 1150N -2.06 3.11 0.04 0.00 1.04 -1.26 -1.04 113.70 113.52 1k83 s SER 1150Ca -0.04 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 55.89 1k83 s SER 1150Cb -0.01 -0.34 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 1k83 s SER 1150CO -0.03 0.30 -0.04 -1.61 0.98 0.00 0.00 173.24 172.85 1k83 s GLU 1151N -0.78 0.51 -0.17 4.02 2.02 -0.38 -4.98 118.70 118.94 1k83 s GLU 1151Ca 0.11 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.14 1k83 s GLU 1151Cb -0.10 0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.25 1k83 s GLU 1151CO -0.00 -0.07 -0.19 0.42 0.02 0.00 0.00 175.26 175.44 1k83 s ILE 1152N -2.76 1.94 0.24 -1.63 1.01 -1.25 -0.09 121.20 118.65 1k83 s ILE 1152Ca -0.03 -0.87 0.10 0.00 0.00 0.00 0.00 60.65 59.85 1k83 s ILE 1152Cb -0.01 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1k83 s ILE 1152CO -0.05 0.52 -0.07 -0.31 0.00 0.00 0.00 174.94 175.03 1k83 s TYR 1153N 1.29 2.61 -0.48 3.97 1.51 0.90 -4.92 117.35 122.23 1k83 s TYR 1153Ca 0.04 -0.24 -0.17 0.00 -1.01 0.00 0.00 57.07 55.69 1k83 s TYR 1153Cb -0.13 -1.20 0.06 0.00 -0.11 0.00 0.00 41.96 40.59 1k83 s TYR 1153CO -0.11 0.59 0.50 -0.47 -1.11 0.00 0.00 175.55 174.95 1k83 s TYR 1154N -2.12 3.16 -0.52 2.71 5.04 -1.26 0.17 117.35 124.53 1k83 s TYR 1154Ca 0.29 -0.73 0.04 0.00 -2.44 0.00 0.00 57.07 54.22 1k83 s TYR 1154Cb -0.07 -3.32 0.16 0.00 0.35 0.00 0.00 41.96 39.08 1k83 s TYR 1154CO 0.17 -0.90 0.35 0.34 -1.34 0.00 0.00 175.55 174.18 1k83 s ASP 1155N 2.60 3.36 0.17 4.32 2.15 0.80 -4.96 116.67 125.12 1k83 s ASP 1155Ca 0.09 -3.17 -0.14 0.00 0.43 0.00 0.00 52.55 49.76 1k83 s ASP 1155Cb -0.22 -1.05 0.13 0.00 -0.30 0.00 0.00 42.92 41.48 1k83 s ASP 1155CO 0.09 -0.18 1.76 1.55 -0.17 0.00 0.00 175.17 178.23 1k83 h PRO 1156N 5.95 0.36 -5.35 4.34 0.13 -1.91 -3.41 132.00 132.12 1k83 h PRO 1156Ca 0.13 -0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.58 1k83 h PRO 1156Cb 0.86 -0.08 -0.15 0.00 0.13 0.00 0.00 31.00 31.76 1k83 h PRO 1156CO 0.53 0.24 0.87 0.34 -0.23 0.00 0.00 178.00 179.75 1k83 s ASP 1157N -5.41 6.47 0.64 1.44 2.15 -1.26 -4.71 116.67 116.00 1k83 s ASP 1157Ca -0.13 -1.62 0.11 0.00 0.43 0.00 0.00 52.55 51.34 1k83 s ASP 1157Cb 0.14 -2.44 0.46 0.00 -0.30 0.00 0.00 42.92 40.78 1k83 s ASP 1157CO 0.73 -1.26 1.20 1.55 -0.17 0.00 0.00 175.17 177.22 1k83 h PRO 1158N 9.22 0.00 0.00 4.34 0.13 -1.93 -2.88 132.00 140.87 1k83 h PRO 1158Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1k83 h PRO 1158Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1k83 h PRO 1158CO 1.18 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.49 1k83 n ARG 1159N -2.79 0.00 -2.91 0.86 1.74 -1.26 -4.93 116.66 107.37 1k83 n ARG 1159Ca 0.06 0.13 -0.33 0.00 -0.77 0.00 0.00 57.85 56.95 1k83 n ARG 1159Cb 1.07 -0.55 -0.07 0.00 -1.02 0.00 0.00 32.46 31.89 1k83 n ARG 1159CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1k83 s SER 1160N -1.81 6.89 0.16 0.55 1.04 -1.09 -4.88 113.70 114.56 1k83 s SER 1160Ca 0.00 1.57 0.07 0.00 0.48 0.00 0.00 55.95 58.07 1k83 s SER 1160Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 1k83 s SER 1160CO 0.00 -0.32 -0.01 -0.89 0.98 0.00 0.00 173.24 173.01 1k83 s THR 1161N -2.12 3.74 -0.29 2.02 2.01 -1.26 -4.43 115.64 115.30 1k83 s THR 1161Ca 0.60 -1.36 0.19 0.00 0.31 0.00 0.00 61.69 61.43 1k83 s THR 1161Cb -0.09 -2.86 0.18 0.00 0.01 0.00 0.00 72.50 69.74 1k83 s THR 1161CO 0.14 -0.07 1.49 0.58 -0.69 0.00 0.00 174.62 176.08 1k83 h VAL 1162N 2.56 0.43 -3.59 3.82 2.07 -1.93 -3.42 116.25 116.19 1k83 h VAL 1162Ca -0.47 -1.61 -0.64 0.00 0.82 0.00 0.00 66.70 64.80 1k83 h VAL 1162Cb 1.20 2.19 -0.14 0.00 -1.52 0.00 0.00 31.29 33.01 1k83 h VAL 1162CO 0.58 0.24 0.01 -0.63 0.02 0.00 0.00 177.57 177.80 1k83 s ILE 1163N -3.09 4.98 0.13 4.57 1.01 -1.26 -4.98 121.20 122.55 1k83 s ILE 1163Ca 0.05 0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.87 1k83 s ILE 1163Cb 0.06 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 1k83 s ILE 1163CO 0.71 -0.22 1.59 1.55 0.00 0.00 0.00 174.94 178.57 1k83 h PRO 1164N 8.42 -0.50 -1.01 2.79 0.13 -2.04 -2.86 132.00 136.92 1k83 h PRO 1164Ca -0.27 0.03 0.25 0.00 -0.87 0.00 0.00 66.00 65.15 1k83 h PRO 1164Cb 1.12 0.11 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1k83 h PRO 1164CO 0.79 -0.34 0.66 0.93 -0.23 0.00 0.00 178.00 179.82 1k83 h GLU 1165N -0.52 0.35 -0.20 0.86 5.08 -1.98 -1.27 114.58 116.91 1k83 h GLU 1165Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1k83 h GLU 1165Cb 0.62 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1k83 h GLU 1165CO -0.33 0.23 0.00 -0.25 -1.00 0.00 0.00 179.01 177.66 1k83 n ASP 1166N -4.56 0.91 -0.07 1.42 8.00 -1.08 -3.98 116.55 117.19 1k83 n ASP 1166Ca 0.24 -2.01 -0.15 0.00 0.71 0.00 0.00 54.79 53.58 1k83 n ASP 1166Cb 0.86 -0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 1k83 n ASP 1166CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1k83 h GLU 1167N 0.93 0.82 -0.69 -1.24 5.08 -1.33 -2.83 114.58 115.33 1k83 h GLU 1167Ca 0.00 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 57.80 1k83 h GLU 1167Cb 0.24 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1k83 h GLU 1167CO 0.01 1.16 0.31 1.49 -1.00 0.00 0.00 179.01 180.98 1k83 h GLU 1168N 0.58 0.99 -0.08 2.33 4.81 -1.79 -2.45 114.58 118.98 1k83 h GLU 1168Ca 0.01 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 1k83 h GLU 1168Cb 1.14 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1k83 h GLU 1168CO 0.12 0.78 -0.44 0.97 -0.73 0.00 0.00 179.01 179.71 1k83 h ILE 1169N 0.98 1.32 0.21 2.32 2.10 -1.76 -1.56 117.51 121.13 1k83 h ILE 1169Ca 0.24 -1.57 -0.33 0.00 1.08 0.00 0.00 64.86 64.28 1k83 h ILE 1169Cb 0.13 1.75 0.04 0.00 -1.09 0.00 0.00 36.82 37.64 1k83 h ILE 1169CO -0.03 0.46 -1.40 0.40 -1.08 0.00 0.00 178.15 176.50 1k83 h ILE 1170N 0.15 1.28 0.10 2.19 2.04 -1.25 -3.22 117.51 118.80 1k83 h ILE 1170Ca 0.01 -2.61 -0.00 0.00 1.00 0.00 0.00 64.86 63.26 1k83 h ILE 1170Cb 0.84 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1k83 h ILE 1170CO 0.07 0.79 -0.05 1.56 0.00 0.00 0.00 178.15 180.52 1k83 h GLN 1171N 0.20 -0.12 0.00 2.37 4.20 -1.44 -1.43 115.11 118.88 1k83 h GLN 1171Ca -0.23 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1k83 h GLN 1171Cb 2.09 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.89 1k83 h GLN 1171CO 0.27 -0.07 0.00 1.28 -0.67 0.00 0.00 178.83 179.64 1k83 n LEU 1172N -5.14 0.00 -2.77 1.46 4.77 -0.59 -2.67 117.00 112.07 1k83 n LEU 1172Ca -0.08 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.62 1k83 n LEU 1172Cb 0.08 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1k83 n LEU 1172CO 0.34 -0.02 0.45 1.41 -1.33 0.00 0.00 177.39 178.23 1k83 n HIS 1173N -0.94 3.52 -1.91 -1.77 8.25 -0.54 -4.52 115.22 117.31 1k83 n HIS 1173Ca 0.00 -3.25 0.00 0.00 -0.26 0.00 0.00 57.72 54.21 1k83 n HIS 1173Cb 0.00 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.68 1k83 n HIS 1173CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1k83 n PHE 1174N -0.38 0.00 -1.39 4.41 3.01 -1.09 -5.04 117.46 116.98 1k83 n PHE 1174Ca 0.39 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.92 1k83 n PHE 1174Cb 0.49 0.10 0.18 0.00 -0.01 0.00 0.00 39.48 40.24 1k83 n PHE 1174CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1k83 n SER 1175N 0.00 2.01 0.00 4.37 3.41 -1.26 -5.19 113.62 116.96 1k83 n SER 1175Ca 0.00 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.03 1k83 n SER 1175Cb 0.58 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1k83 n SER 1175CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k83 n GLN 1187N -1.23 0.00 -2.05 4.33 10.64 -1.26 -5.21 117.38 122.60 1k83 n GLN 1187Ca 0.18 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.95 1k83 n GLN 1187Cb 0.69 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 30.05 1k83 n GLN 1187CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1k83 s GLN 1188N 0.00 4.30 0.40 2.61 -0.21 -1.26 -4.23 119.66 121.28 1k83 s GLN 1188Ca 0.00 2.29 -0.01 0.00 0.02 0.00 0.00 55.36 57.66 1k83 s GLN 1188Cb 0.00 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.93 1k83 s GLN 1188CO 0.00 -0.27 0.63 -1.54 -2.12 0.00 0.00 175.29 172.00 1k83 s SER 1189N -0.37 6.19 0.00 5.90 1.04 -0.68 -4.99 113.70 120.79 1k83 s SER 1189Ca 0.50 0.54 0.24 0.00 0.48 0.00 0.00 55.95 57.72 1k83 s SER 1189Cb -0.41 -1.99 1.09 0.00 0.10 0.00 0.00 66.02 64.81 1k83 s SER 1189CO 0.54 -0.45 1.79 -0.81 0.98 0.00 0.00 173.24 175.30 1k83 n PRO 1190N -1.97 0.09 -2.97 4.02 -0.04 -1.26 -4.78 135.00 128.10 1k83 n PRO 1190Ca -0.02 0.07 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 1k83 n PRO 1190Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 1k83 n PRO 1190CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1k83 s TRP 1191N -2.90 3.86 -0.14 0.54 0.52 -1.26 -0.14 118.94 119.42 1k83 s TRP 1191Ca 0.15 1.63 0.02 0.00 0.02 0.00 0.00 56.10 57.92 1k83 s TRP 1191Cb 0.16 -2.77 0.01 0.00 -1.15 0.00 0.00 33.47 29.72 1k83 s TRP 1191CO 0.43 0.46 -0.19 -1.17 0.02 0.00 0.00 176.95 176.50 1k83 s LEU 1192N -1.35 1.96 -0.17 2.99 2.96 0.13 -4.54 118.68 120.65 1k83 s LEU 1192Ca 0.38 -0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 53.60 1k83 s LEU 1192Cb -0.22 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 1k83 s LEU 1192CO 0.26 0.04 0.35 -0.22 -1.32 0.00 0.00 176.35 175.46 1k83 s LEU 1193N 0.98 4.21 -0.15 -0.68 2.96 -0.21 -0.07 118.68 125.71 1k83 s LEU 1193Ca -0.05 0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 54.38 1k83 s LEU 1193Cb -0.15 -2.46 0.05 0.00 0.50 0.00 0.00 46.19 44.13 1k83 s LEU 1193CO -0.04 0.02 0.01 -0.60 -1.32 0.00 0.00 176.35 174.42 1k83 s ARG 1194N 0.83 0.73 -0.12 1.98 3.52 0.87 -0.96 118.95 125.80 1k83 s ARG 1194Ca 0.18 -0.26 -0.05 0.00 -0.13 0.00 0.00 55.73 55.47 1k83 s ARG 1194Cb -0.14 -1.74 -0.04 0.00 -1.56 0.00 0.00 34.95 31.47 1k83 s ARG 1194CO 0.06 -0.51 0.08 -0.51 -0.81 0.00 0.00 175.30 173.62 1k83 s LEU 1195N 1.87 4.05 -0.36 -0.88 1.43 -0.10 -1.25 118.68 123.44 1k83 s LEU 1195Ca 0.01 0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 1k83 s LEU 1195Cb -0.15 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.14 1k83 s LEU 1195CO -0.07 0.37 0.14 -0.70 0.23 0.00 0.00 176.35 176.32 1k83 s GLU 1196N -0.78 2.61 0.25 1.70 2.12 -0.21 -1.07 118.70 123.32 1k83 s GLU 1196Ca 0.13 -1.24 -0.09 0.00 0.36 0.00 0.00 54.97 54.13 1k83 s GLU 1196Cb -0.12 -3.54 -0.07 0.00 0.26 0.00 0.00 34.13 30.67 1k83 s GLU 1196CO 0.03 -0.73 0.56 -0.51 -0.54 0.00 0.00 175.26 174.07 1k83 s LEU 1197N 1.41 4.14 -0.19 2.70 1.43 -0.62 0.19 118.68 127.73 1k83 s LEU 1197Ca -0.00 0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 53.83 1k83 s LEU 1197Cb -0.20 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1k83 s LEU 1197CO 0.03 -0.11 0.37 -0.62 0.23 0.00 0.00 176.35 176.25 1k83 s ASP 1198N -2.53 6.44 0.27 2.29 -1.08 -0.44 -4.36 116.67 117.27 1k83 s ASP 1198Ca 0.47 0.52 -0.04 0.00 -0.52 0.00 0.00 52.55 52.98 1k83 s ASP 1198Cb -0.11 -2.22 0.35 0.00 -1.46 0.00 0.00 42.92 39.48 1k83 s ASP 1198CO 0.23 -0.03 1.90 -0.09 0.52 0.00 0.00 175.17 177.70 1k83 h ARG 1199N 7.17 1.10 0.00 4.34 2.43 -1.97 -1.98 114.38 125.48 1k83 h ARG 1199Ca -0.38 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1k83 h ARG 1199Cb 1.16 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1k83 h ARG 1199CO 0.73 0.80 0.00 0.00 -1.51 0.00 0.00 179.97 179.99 1k83 n ALA 1200N -2.42 -0.20 0.08 2.80 0.00 -1.26 -1.45 120.51 118.06 1k83 n ALA 1200Ca 0.08 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.73 1k83 n ALA 1200Cb 0.09 0.15 0.68 0.00 0.00 0.00 0.00 19.45 20.37 1k83 n ALA 1200CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k83 h ALA 1201N -1.77 2.14 -3.00 0.00 0.00 -1.91 -1.05 119.26 113.67 1k83 h ALA 1201Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k83 h ALA 1201Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1k83 h ALA 1201CO 0.00 -0.80 0.00 -1.33 0.00 0.00 0.00 179.25 177.12 1k83 n MET 1202N -3.47 0.00 0.13 0.00 2.00 -0.53 -2.25 117.12 113.00 1k83 n MET 1202Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 57.70 57.97 1k83 n MET 1202Cb 0.75 -0.49 0.69 0.00 0.00 0.00 0.00 33.22 34.17 1k83 n MET 1202CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 175.97 173.02 1k83 h ASN 1203N 0.00 0.00 0.76 7.83 7.08 -1.37 -0.36 115.58 129.52 1k83 h ASN 1203Ca 0.00 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.19 1k83 h ASN 1203Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1k83 h ASN 1203CO 0.00 0.00 -0.44 -0.78 -2.08 0.00 0.00 177.43 174.13 1k83 h ASP 1204N 0.00 -1.11 0.00 6.14 1.82 -1.25 -1.24 116.42 120.78 1k83 h ASP 1204Ca 0.17 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 1k83 h ASP 1204Cb 1.25 0.32 0.00 0.00 0.68 0.00 0.00 39.33 41.57 1k83 h ASP 1204CO -0.00 -0.70 0.00 0.29 -1.61 0.00 0.00 179.24 177.22 1k83 n LYS 1205N -5.26 0.95 -3.77 0.28 5.02 -0.19 -4.85 118.16 110.35 1k83 n LYS 1205Ca -0.14 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.90 1k83 n LYS 1205Cb 0.46 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1k83 n LYS 1205CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k83 n ASP 1206N 0.25 -4.92 -4.18 4.39 8.00 -0.47 -4.97 116.55 114.65 1k83 n ASP 1206Ca 0.00 -0.91 -0.25 0.00 0.71 0.00 0.00 54.79 54.33 1k83 n ASP 1206Cb 0.35 -1.72 -0.15 0.00 -0.02 0.00 0.00 41.12 39.58 1k83 n ASP 1206CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1k83 s LEU 1207N -4.82 2.04 0.01 0.64 1.43 -0.98 -4.98 118.68 112.03 1k83 s LEU 1207Ca 0.02 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1k83 s LEU 1207Cb -0.00 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1k83 s LEU 1207CO 0.89 0.22 0.02 -0.89 0.23 0.00 0.00 176.35 176.83 1k83 s THR 1208N -0.43 4.26 0.25 5.49 2.01 -1.26 -4.13 115.64 121.83 1k83 s THR 1208Ca 0.07 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 1k83 s THR 1208Cb -0.07 -2.93 0.22 0.00 0.01 0.00 0.00 72.50 69.73 1k83 s THR 1208CO -0.01 0.34 1.84 0.24 -0.69 0.00 0.00 174.62 176.33 1k83 h MET 1209N 4.16 0.89 -0.28 4.92 2.86 -1.95 0.32 114.93 125.84 1k83 h MET 1209Ca -0.49 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.08 1k83 h MET 1209Cb 1.18 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1k83 h MET 1209CO 0.59 0.59 0.09 0.78 1.06 0.00 0.00 176.91 180.01 1k83 h GLY 1210N 0.91 0.43 0.34 8.32 0.00 -1.94 -0.44 103.07 110.69 1k83 h GLY 1210Ca 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1k83 h GLY 1210CO -0.21 0.19 -0.14 1.46 0.00 0.00 0.00 176.54 177.84 1k83 h GLN 1211N 0.40 -0.38 -0.42 4.80 4.20 -0.89 -1.33 115.11 121.49 1k83 h GLN 1211Ca 0.10 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.92 1k83 h GLN 1211Cb 0.13 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 27.91 1k83 h GLN 1211CO -0.01 -0.17 -0.20 0.28 -0.67 0.00 0.00 178.83 178.07 1k83 h VAL 1212N -1.06 0.41 0.04 -0.54 2.07 -0.82 0.06 116.25 116.41 1k83 h VAL 1212Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1k83 h VAL 1212Cb 0.39 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1k83 h VAL 1212CO 0.07 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 178.87 1k83 h GLY 1213N -0.11 -0.06 2.00 2.17 0.00 -1.18 -1.83 103.07 104.06 1k83 h GLY 1213Ca 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1k83 h GLY 1213CO -0.49 -0.02 -0.02 0.83 0.00 0.00 0.00 176.54 176.84 1k83 h GLU 1214N -0.08 0.00 0.08 4.80 4.39 -0.73 -1.02 114.58 122.02 1k83 h GLU 1214Ca -0.01 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.51 1k83 h GLU 1214Cb 0.07 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1k83 h GLU 1214CO 0.01 0.02 -0.76 -0.09 -1.16 0.00 0.00 179.01 177.03 1k83 h ARG 1215N 0.00 0.37 -0.00 2.33 9.65 -0.47 -2.49 114.38 123.77 1k83 h ARG 1215Ca -0.00 -0.51 -0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1k83 h ARG 1215Cb 0.16 0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1k83 h ARG 1215CO 0.00 1.20 0.00 0.82 2.80 0.00 0.00 179.97 184.79 1k83 h ILE 1216N -0.21 1.12 -0.28 1.20 2.04 -0.75 -2.81 117.51 117.83 1k83 h ILE 1216Ca -0.12 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.43 1k83 h ILE 1216Cb 1.53 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 38.93 1k83 h ILE 1216CO 0.15 0.09 -0.06 0.50 0.00 0.00 0.00 178.15 178.83 1k83 h LYS 1217N -0.15 0.01 -0.59 2.37 3.64 -1.30 0.19 116.57 120.74 1k83 h LYS 1217Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1k83 h LYS 1217Cb 0.15 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1k83 h LYS 1217CO -0.00 0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 1k83 n GLN 1218N -5.23 0.73 -0.07 1.90 10.64 -0.94 -2.63 117.38 121.79 1k83 n GLN 1218Ca -0.01 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.01 1k83 n GLN 1218Cb 0.16 -1.29 -0.05 0.00 -0.86 0.00 0.00 30.24 28.20 1k83 n GLN 1218CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1k83 n THR 1219N 0.01 1.01 -1.88 -0.39 -1.04 0.63 -4.72 114.28 107.89 1k83 n THR 1219Ca 0.00 -0.12 -0.36 0.00 -2.04 0.00 0.00 64.05 61.53 1k83 n THR 1219Cb 0.15 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 66.87 1k83 n THR 1219CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1k83 n PHE 1220N -3.81 2.48 0.00 -1.42 3.01 -0.93 -5.01 117.46 111.79 1k83 n PHE 1220Ca -0.27 -2.27 0.00 0.00 1.01 0.00 0.00 57.45 55.92 1k83 n PHE 1220Cb 0.64 -1.30 0.00 0.00 -0.01 0.00 0.00 39.48 38.81 1k83 n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1k83 n LYS 1221N 0.14 0.00 -0.11 -1.08 5.02 -1.24 -0.57 118.16 120.32 1k83 n LYS 1221Ca 0.52 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.90 1k83 n LYS 1221Cb 0.34 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.49 1k83 n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1k83 n ASN 1222N 0.37 2.88 -1.04 4.39 3.02 -1.26 -4.54 115.26 119.08 1k83 n ASN 1222Ca 0.00 -1.84 -0.01 0.00 -0.03 0.00 0.00 54.58 52.69 1k83 n ASN 1222Cb 0.00 -0.15 0.01 0.00 -0.61 0.00 0.00 39.78 39.03 1k83 n ASN 1222CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1k83 n ASP 1223N 1.04 2.90 -3.58 6.41 8.00 0.27 -4.76 116.55 126.84 1k83 n ASP 1223Ca 0.14 -2.10 0.01 0.00 0.71 0.00 0.00 54.79 53.55 1k83 n ASP 1223Cb 0.48 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 1k83 n ASP 1223CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1k83 s LEU 1224N -0.22 -0.18 -0.20 0.64 2.96 -1.20 -4.32 118.68 116.16 1k83 s LEU 1224Ca 0.04 0.29 -0.21 0.00 -0.22 0.00 0.00 54.13 54.02 1k83 s LEU 1224Cb 0.03 1.26 -0.02 0.00 0.50 0.00 0.00 46.19 47.96 1k83 s LEU 1224CO 0.01 -0.04 0.65 0.12 -1.32 0.00 0.00 176.35 175.76 1k83 s PHE 1225N 1.29 3.37 -0.02 5.38 5.36 0.82 -4.92 117.98 129.26 1k83 s PHE 1225Ca -0.07 0.94 0.06 0.00 -0.96 0.00 0.00 56.93 56.91 1k83 s PHE 1225Cb -0.03 -2.82 -0.02 0.00 -0.34 0.00 0.00 43.02 39.82 1k83 s PHE 1225CO -0.12 -0.20 -0.21 0.08 -1.46 0.00 0.00 175.22 173.31 1k83 s VAL 1226N 2.00 1.66 0.07 3.12 1.01 -1.26 -1.44 120.40 125.57 1k83 s VAL 1226Ca 0.29 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1k83 s VAL 1226Cb -0.16 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1k83 s VAL 1226CO 0.10 0.47 0.25 -0.63 0.00 0.00 0.00 175.10 175.29 1k83 s ILE 1227N -0.45 0.11 -0.03 2.22 1.01 -0.80 -5.03 121.20 118.22 1k83 s ILE 1227Ca 0.07 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 1k83 s ILE 1227Cb -0.09 -1.14 0.07 0.00 0.01 0.00 0.00 42.46 41.32 1k83 s ILE 1227CO -0.00 -0.51 0.69 -1.66 0.00 0.00 0.00 174.94 173.46 1k83 s TRP 1228N -3.29 -0.63 0.90 3.97 -2.14 -1.26 -1.47 118.94 115.02 1k83 s TRP 1228Ca 0.00 1.00 -0.11 0.00 2.66 0.00 0.00 56.10 59.65 1k83 s TRP 1228Cb 0.02 0.43 0.13 0.00 -3.10 0.00 0.00 33.47 30.95 1k83 s TRP 1228CO -0.08 -0.62 1.09 -1.54 -2.66 0.00 0.00 176.95 173.14 1k83 s SER 1229N -1.38 3.41 0.48 -2.66 1.04 -0.37 -5.01 113.70 109.21 1k83 s SER 1229Ca -0.09 1.60 -0.01 0.00 0.48 0.00 0.00 55.95 57.93 1k83 s SER 1229Cb -0.00 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1k83 s SER 1229CO 0.07 -2.70 0.72 -1.61 0.98 0.00 0.00 173.24 170.70 1k83 s GLU 1230N -4.87 3.02 0.41 4.02 2.02 -1.26 -4.78 118.70 117.26 1k83 s GLU 1230Ca 0.64 -0.39 0.26 0.00 0.02 0.00 0.00 54.97 55.49 1k83 s GLU 1230Cb -0.19 -2.50 1.40 0.00 0.10 0.00 0.00 34.13 32.95 1k83 s GLU 1230CO 0.57 -0.37 1.78 -0.44 0.02 0.00 0.00 175.26 176.82 1k83 h ASP 1231N 0.27 0.00 0.28 -0.19 3.32 -1.96 -2.39 116.42 115.76 1k83 h ASP 1231Ca -0.46 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.26 1k83 h ASP 1231Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 1k83 h ASP 1231CO 0.58 0.00 -1.86 -1.13 -1.72 0.00 0.00 179.24 175.10 1k83 h ASN 1232N 0.00 0.25 -3.00 6.45 -0.73 -1.97 -3.47 115.58 113.10 1k83 h ASN 1232Ca 0.00 -0.57 -0.58 0.00 1.87 0.00 0.00 56.30 57.02 1k83 h ASN 1232Cb 0.10 -0.08 0.15 0.00 0.27 0.00 0.00 38.32 38.76 1k83 h ASN 1232CO 0.00 1.51 -0.06 0.47 -0.37 0.00 0.00 177.43 178.97 1k83 n ASP 1233N -3.31 0.29 0.28 1.15 8.00 -0.90 -4.86 116.55 117.20 1k83 n ASP 1233Ca -0.25 0.90 0.17 0.00 0.71 0.00 0.00 54.79 56.32 1k83 n ASP 1233Cb 1.05 -1.28 0.79 0.00 -0.02 0.00 0.00 41.12 41.66 1k83 n ASP 1233CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1k83 h GLU 1234N 0.92 0.00 -5.38 -1.24 4.11 -1.91 -3.43 114.58 107.66 1k83 h GLU 1234Ca -0.45 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.37 1k83 h GLU 1234Cb 1.37 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.30 1k83 h GLU 1234CO 0.53 0.04 -0.86 0.15 0.07 0.00 0.00 179.01 178.94 1k83 s LYS 1235N -3.84 2.24 -0.41 1.06 1.02 -1.26 -5.07 119.74 113.47 1k83 s LYS 1235Ca -0.01 -0.71 -0.22 0.00 0.02 0.00 0.00 55.97 55.05 1k83 s LYS 1235Cb 0.10 -1.85 0.02 0.00 -0.52 0.00 0.00 37.83 35.59 1k83 s LYS 1235CO 0.53 0.23 0.70 -0.51 -0.92 0.00 0.00 175.35 175.38 1k83 s LEU 1236N 0.14 4.32 -0.01 3.17 1.43 -1.26 -4.80 118.68 121.66 1k83 s LEU 1236Ca -0.09 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1k83 s LEU 1236Cb -0.14 -2.85 0.01 0.00 0.03 0.00 0.00 46.19 43.24 1k83 s LEU 1236CO 0.04 -0.77 -0.00 -0.63 0.23 0.00 0.00 176.35 175.22 1k83 s ILE 1237N 2.97 0.12 -0.06 -0.59 1.01 -1.26 -1.60 121.20 121.79 1k83 s ILE 1237Ca 0.26 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.98 1k83 s ILE 1237Cb -0.13 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 1k83 s ILE 1237CO 0.19 0.09 -0.17 -0.63 0.00 0.00 0.00 174.94 174.41 1k83 s ILE 1238N 0.52 2.78 -0.07 2.92 1.01 -0.23 -1.24 121.20 126.89 1k83 s ILE 1238Ca -0.05 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1k83 s ILE 1238Cb -0.07 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1k83 s ILE 1238CO -0.01 0.57 -0.20 -0.13 0.00 0.00 0.00 174.94 175.17 1k83 s ARG 1239N -0.43 2.40 0.00 2.79 0.52 -0.54 -0.93 118.95 122.77 1k83 s ARG 1239Ca 0.05 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.55 1k83 s ARG 1239Cb -0.12 -1.92 -0.00 0.00 0.52 0.00 0.00 34.95 33.43 1k83 s ARG 1239CO 0.02 0.19 -0.03 0.00 0.02 0.00 0.00 175.30 175.49 1k83 s ARG 1241N -0.17 0.93 0.24 0.00 0.52 -0.52 -1.05 118.95 118.90 1k83 s ARG 1241Ca 0.00 -0.53 -0.30 0.00 -0.52 0.00 0.00 55.73 54.39 1k83 s ARG 1241Cb -0.02 -0.90 -0.09 0.00 0.52 0.00 0.00 34.95 34.46 1k83 s ARG 1241CO -0.00 0.24 1.24 0.08 0.02 0.00 0.00 175.30 176.88 1k83 s VAL 1242N -0.48 3.24 -0.51 3.52 1.01 -1.26 -0.12 120.40 125.80 1k83 s VAL 1242Ca 0.03 1.11 0.07 0.00 0.00 0.00 0.00 61.98 63.20 1k83 s VAL 1242Cb -0.06 -3.71 0.26 0.00 0.00 0.00 0.00 36.38 32.88 1k83 s VAL 1242CO 0.00 0.21 0.66 0.55 0.00 0.00 0.00 175.10 176.53 1k83 n VAL 1243N 1.88 0.91 -0.21 2.92 3.14 -1.26 -1.68 118.33 124.03 1k83 n VAL 1243Ca 0.03 -4.68 0.00 0.00 -2.96 0.00 0.00 64.34 56.73 1k83 n VAL 1243Cb 0.43 -1.85 0.00 0.00 -1.06 0.00 0.00 33.84 31.36 1k83 n VAL 1243CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1k83 n ALA 1254N 0.96 0.00 -2.23 1.55 0.00 -1.26 -4.89 120.51 114.64 1k83 n ALA 1254Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.63 1k83 n ALA 1254Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1k83 n ALA 1254CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1k83 n GLU 1255N -2.04 -0.83 0.19 0.00 0.00 -1.26 -4.99 120.64 111.72 1k83 n GLU 1255Ca 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 57.16 57.40 1k83 n GLU 1255Cb 0.00 -4.13 -0.04 0.00 0.00 0.00 0.00 31.44 27.27 1k83 n GLU 1255CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1k83 h GLU 1256N -0.12 -0.53 -1.43 5.31 4.39 -2.05 -3.16 114.58 116.99 1k83 h GLU 1256Ca -0.17 0.04 0.41 0.00 0.34 0.00 0.00 59.36 59.98 1k83 h GLU 1256Cb 1.12 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.83 1k83 h GLU 1256CO 0.19 -0.35 1.29 -0.44 -1.16 0.00 0.00 179.01 178.54 1k83 h ASP 1257N -0.98 0.00 0.00 1.42 3.32 -2.00 -0.77 116.42 117.41 1k83 h ASP 1257Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1k83 h ASP 1257Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1k83 h ASP 1257CO 0.09 0.00 -0.02 -0.74 -1.72 0.00 0.00 179.24 176.85 1k83 h HIS 1258N 0.00 0.00 -1.00 4.55 2.76 -1.98 -3.11 115.15 116.37 1k83 h HIS 1258Ca 0.68 0.00 0.41 0.00 -2.20 0.00 0.00 60.37 59.26 1k83 h HIS 1258Cb 3.24 0.00 -0.18 0.00 1.55 0.00 0.00 27.41 32.02 1k83 h HIS 1258CO 0.00 0.00 0.50 0.52 -1.30 0.00 0.00 177.93 177.65 1k83 h MET 1259N -0.66 0.01 -0.33 5.26 2.86 -1.13 0.53 114.93 121.46 1k83 h MET 1259Ca 0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1k83 h MET 1259Cb 0.02 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1k83 h MET 1259CO 0.00 0.00 0.20 1.25 1.06 0.00 0.00 176.91 179.43 1k83 h LEU 1260N 0.01 0.40 -2.03 1.22 5.85 -1.47 0.09 115.31 119.37 1k83 h LEU 1260Ca 0.83 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.49 1k83 h LEU 1260Cb 2.17 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 43.10 1k83 h LEU 1260CO -0.78 0.32 -0.09 0.11 -0.34 0.00 0.00 178.44 177.66 1k83 h LYS 1261N 0.43 0.00 0.05 1.25 1.57 0.14 0.73 116.57 120.74 1k83 h LYS 1261Ca 0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1k83 h LYS 1261Cb -0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1k83 h LYS 1261CO -0.02 0.09 -0.47 0.87 -0.57 0.00 0.00 179.45 179.35 1k83 h LYS 1262N 0.00 0.23 -0.80 3.15 1.57 -1.09 -2.82 116.57 116.81 1k83 h LYS 1262Ca -0.00 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1k83 h LYS 1262Cb 0.25 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1k83 h LYS 1262CO 0.01 1.09 0.52 0.82 -0.57 0.00 0.00 179.45 181.32 1k83 h ILE 1263N -0.48 1.21 -0.85 1.86 2.04 -0.32 0.11 117.51 121.07 1k83 h ILE 1263Ca -0.07 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.47 1k83 h ILE 1263Cb 1.29 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 1k83 h ILE 1263CO 0.09 0.21 0.50 1.05 0.00 0.00 0.00 178.15 180.00 1k83 h GLU 1264N 1.08 0.84 -0.07 2.37 -0.00 0.41 -1.56 114.58 117.64 1k83 h GLU 1264Ca 0.29 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.36 59.56 1k83 h GLU 1264Cb -0.11 -0.19 -0.00 0.00 -0.00 0.00 0.00 28.75 28.45 1k83 h GLU 1264CO -0.06 0.56 -0.09 -0.97 -0.00 0.00 0.00 179.01 178.44 1k83 h ASN 1265N 0.87 0.21 -1.00 3.06 -0.73 -0.99 -2.78 115.58 114.22 1k83 h ASN 1265Ca 0.39 -0.51 0.15 0.00 1.87 0.00 0.00 56.30 58.21 1k83 h ASN 1265Cb 0.30 -0.06 -0.10 0.00 0.27 0.00 0.00 38.32 38.73 1k83 h ASN 1265CO -0.22 0.68 0.62 0.74 -0.37 0.00 0.00 177.43 178.88 1k83 h THR 1266N -0.25 0.82 0.06 -3.57 2.02 -0.52 -2.24 112.91 109.23 1k83 h THR 1266Ca 0.01 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1k83 h THR 1266Cb 0.63 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1k83 h THR 1266CO 0.02 0.16 -0.03 0.24 0.37 0.00 0.00 175.52 176.28 1k83 h MET 1267N 0.88 -0.08 0.00 6.66 2.86 -1.22 0.27 114.93 124.30 1k83 h MET 1267Ca 0.54 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 58.16 1k83 h MET 1267Cb 0.69 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 1k83 h MET 1267CO -0.32 0.15 -0.10 -0.07 1.06 0.00 0.00 176.91 177.62 1k83 h LEU 1268N -0.30 0.00 0.00 1.22 3.38 -1.16 -3.29 115.31 115.17 1k83 h LEU 1268Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1k83 h LEU 1268Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1k83 h LEU 1268CO 0.01 0.10 -1.48 -0.62 0.09 0.00 0.00 178.44 176.55 1k83 n GLU 1269N -3.76 0.20 0.00 1.13 1.02 -0.89 -2.04 120.64 116.30 1k83 n GLU 1269Ca -0.02 0.06 0.14 0.00 -0.02 0.00 0.00 57.16 57.32 1k83 n GLU 1269Cb 0.20 -1.03 0.48 0.00 -0.02 0.00 0.00 31.44 31.07 1k83 n GLU 1269CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1k83 n ASN 1270N -2.99 1.23 -4.68 1.62 3.02 0.93 -4.87 115.26 109.52 1k83 n ASN 1270Ca -0.16 -1.20 -0.35 0.00 -0.03 0.00 0.00 54.58 52.84 1k83 n ASN 1270Cb 0.64 0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.77 1k83 n ASN 1270CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k83 s ILE 1271N -2.22 5.17 -0.33 2.41 1.01 -1.21 -5.01 121.20 121.02 1k83 s ILE 1271Ca 0.32 0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.90 1k83 s ILE 1271Cb 0.20 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1k83 s ILE 1271CO 0.42 0.43 0.49 -0.89 0.00 0.00 0.00 174.94 175.38 1k83 s THR 1272N 0.52 5.05 0.03 2.92 2.01 -1.26 -3.61 115.64 121.30 1k83 s THR 1272Ca 0.06 0.40 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 1k83 s THR 1272Cb -0.12 -3.92 -0.31 0.00 0.01 0.00 0.00 72.50 68.16 1k83 s THR 1272CO 0.00 -0.14 1.00 -0.07 -0.69 0.00 0.00 174.62 174.71 1k83 h LEU 1273N 8.99 0.58 -7.00 4.42 3.38 -0.95 -3.48 115.31 121.25 1k83 h LEU 1273Ca -0.28 -0.67 0.10 0.00 0.09 0.00 0.00 57.88 57.12 1k83 h LEU 1273Cb 1.13 -0.19 -0.24 0.00 0.09 0.00 0.00 40.66 41.45 1k83 h LEU 1273CO 0.75 1.54 0.60 -0.60 0.09 0.00 0.00 178.44 180.82 1k83 s ARG 1274N -2.62 0.51 0.00 1.13 3.52 -1.17 -4.94 118.95 115.37 1k83 s ARG 1274Ca -0.08 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 1k83 s ARG 1274Cb 0.06 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 1k83 s ARG 1274CO 0.90 -0.15 0.00 0.41 -0.81 0.00 0.00 175.30 175.65 1k83 n GLY 1275N 0.84 1.03 3.71 8.12 0.00 -1.25 -0.82 105.19 116.82 1k83 n GLY 1275Ca -0.09 -2.17 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 1k83 n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k83 s VAL 1276N -1.31 4.39 0.09 1.61 1.01 0.11 -4.83 120.40 121.47 1k83 s VAL 1276Ca 0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 1k83 s VAL 1276Cb 0.00 -2.89 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 1k83 s VAL 1276CO 0.00 0.53 1.75 -1.61 0.00 0.00 0.00 175.10 175.77 1k83 s GLU 1277N -1.14 4.17 0.00 2.72 8.01 -1.26 -2.46 118.70 128.73 1k83 s GLU 1277Ca 0.16 2.47 0.00 0.00 0.01 0.00 0.00 54.97 57.60 1k83 s GLU 1277Cb -0.11 -3.65 0.00 0.00 -4.31 0.00 0.00 34.13 26.06 1k83 s GLU 1277CO 0.05 -0.80 0.00 0.09 0.01 0.00 0.00 175.26 174.61 1k83 n ASN 1278N 5.83 0.00 -4.57 -0.19 3.02 -1.26 -4.68 115.26 113.41 1k83 n ASN 1278Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 1k83 n ASN 1278Cb 0.40 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 1k83 n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k83 s ILE 1279N -2.90 3.84 0.00 2.41 1.09 -1.03 -4.30 121.20 120.31 1k83 s ILE 1279Ca 0.00 0.67 0.00 0.00 -1.10 0.00 0.00 60.65 60.22 1k83 s ILE 1279Cb 0.00 -4.64 0.00 0.00 -1.06 0.00 0.00 42.46 36.76 1k83 s ILE 1279CO 0.00 -1.39 0.00 -0.62 -0.10 0.00 0.00 174.94 172.83 1k83 n GLU 1280N 8.78 0.00 -1.92 2.79 1.02 -0.81 0.27 120.64 130.77 1k83 n GLU 1280Ca 0.09 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.90 1k83 n GLU 1280Cb 0.49 -0.07 0.03 0.00 -0.02 0.00 0.00 31.44 31.88 1k83 n GLU 1280CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1k83 s ARG 1281N 0.00 3.01 -0.28 3.49 0.52 -1.25 -4.35 118.95 120.09 1k83 s ARG 1281Ca 0.00 1.41 0.01 0.00 -0.52 0.00 0.00 55.73 56.63 1k83 s ARG 1281Cb 0.00 -1.98 0.16 0.00 0.52 0.00 0.00 34.95 33.65 1k83 s ARG 1281CO 0.00 -1.09 0.42 0.08 0.02 0.00 0.00 175.30 174.73 1k83 s VAL 1282N -2.23 -0.66 -0.07 3.52 1.01 -1.26 -2.24 120.40 118.48 1k83 s VAL 1282Ca 0.68 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1k83 s VAL 1282Cb -0.20 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1k83 s VAL 1282CO 0.37 -0.24 0.00 -0.69 0.00 0.00 0.00 175.10 174.55 1k83 s VAL 1283N 2.57 4.29 0.33 2.92 1.01 -0.29 -4.89 120.40 126.33 1k83 s VAL 1283Ca 0.10 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1k83 s VAL 1283Cb -0.13 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1k83 s VAL 1283CO -0.28 0.56 0.62 -0.04 0.00 0.00 0.00 175.10 175.97 1k83 s MET 1284N -1.01 3.67 0.27 2.72 -1.94 -1.26 0.01 119.30 121.76 1k83 s MET 1284Ca 0.14 0.13 -0.12 0.00 -1.71 0.00 0.00 55.69 54.13 1k83 s MET 1284Cb -0.11 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.16 1k83 s MET 1284CO 0.04 0.14 0.51 -1.64 -0.01 0.00 0.00 175.02 174.05 1k83 s MET 1285N -3.68 1.64 -0.22 2.03 -1.94 -0.72 -4.94 119.30 111.48 1k83 s MET 1285Ca 0.46 -1.30 -0.00 0.00 -1.71 0.00 0.00 55.69 53.13 1k83 s MET 1285Cb -0.11 0.49 0.06 0.00 2.01 0.00 0.00 34.83 37.28 1k83 s MET 1285CO 0.31 -0.69 -0.03 0.21 -0.01 0.00 0.00 175.02 174.81 1k83 s LYS 1286N -3.81 1.31 0.06 2.03 2.20 -1.26 -1.70 119.74 118.57 1k83 s LYS 1286Ca 0.22 -0.77 -0.05 0.00 -0.36 0.00 0.00 55.97 55.01 1k83 s LYS 1286Cb -0.01 -2.39 -0.05 0.00 -1.51 0.00 0.00 37.83 33.87 1k83 s LYS 1286CO 0.10 -0.59 0.30 0.71 -0.36 0.00 0.00 175.35 175.51 1k83 s TYR 1287N 1.56 3.54 0.16 4.03 4.12 -0.82 -4.87 117.35 125.07 1k83 s TYR 1287Ca -0.04 0.52 -0.22 0.00 0.02 0.00 0.00 57.07 57.36 1k83 s TYR 1287Cb -0.18 -1.96 -0.08 0.00 -1.52 0.00 0.00 41.96 38.22 1k83 s TYR 1287CO -0.07 0.55 0.71 -0.51 0.02 0.00 0.00 175.55 176.25 1k83 s ASP 1288N -2.06 7.21 -0.08 2.29 1.01 -1.26 -1.54 116.67 122.24 1k83 s ASP 1288Ca 0.33 1.48 -0.00 0.00 0.71 0.00 0.00 52.55 55.07 1k83 s ASP 1288Cb -0.13 -2.44 0.02 0.00 1.01 0.00 0.00 42.92 41.38 1k83 s ASP 1288CO 0.21 0.17 -0.05 -0.60 0.21 0.00 0.00 175.17 175.11 1k83 s ARG 1289N -1.39 1.14 -0.25 8.23 3.52 -1.20 -4.92 118.95 124.08 1k83 s ARG 1289Ca 0.36 -0.13 -0.29 0.00 -0.13 0.00 0.00 55.73 55.54 1k83 s ARG 1289Cb -0.20 -1.25 -0.00 0.00 -1.56 0.00 0.00 34.95 31.93 1k83 s ARG 1289CO 0.23 -0.22 1.27 0.15 -0.81 0.00 0.00 175.30 175.92 1k83 s LYS 1290N 1.55 4.05 0.04 5.12 -0.14 -1.26 -0.14 119.74 128.96 1k83 s LYS 1290Ca 0.00 1.40 0.03 0.00 -1.36 0.00 0.00 55.97 56.04 1k83 s LYS 1290Cb -0.13 -3.82 -0.02 0.00 -1.68 0.00 0.00 37.83 32.17 1k83 s LYS 1290CO -0.05 -0.95 -0.09 0.08 -0.76 0.00 0.00 175.35 173.59 1k83 s VAL 1291N 4.00 0.63 0.22 3.17 1.01 0.16 -4.78 120.40 124.81 1k83 s VAL 1291Ca 0.55 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1k83 s VAL 1291Cb -0.18 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.43 1k83 s VAL 1291CO 0.19 -0.33 1.35 -2.84 0.00 0.00 0.00 175.10 173.47 1k83 s PRO 1292N -1.53 4.35 0.64 2.72 0.02 -1.26 -0.18 135.00 139.77 1k83 s PRO 1292Ca -0.08 2.13 -0.05 0.00 0.02 0.00 0.00 61.00 63.02 1k83 s PRO 1292Cb -0.10 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.30 1k83 s PRO 1292CO 0.01 -0.30 0.94 -1.54 -0.33 0.00 0.00 177.00 175.78 1k83 s SER 1293N 0.31 5.17 0.54 2.53 1.04 0.08 -4.86 113.70 118.51 1k83 s SER 1293Ca 0.57 0.49 0.22 0.00 0.48 0.00 0.00 55.95 57.71 1k83 s SER 1293Cb -0.38 -1.30 1.49 0.00 0.10 0.00 0.00 66.02 65.92 1k83 s SER 1293CO 0.40 -1.33 2.17 1.55 0.98 0.00 0.00 173.24 177.01 1k83 h PRO 1294N -0.35 0.00 0.00 4.02 0.13 -1.95 -0.35 132.00 133.50 1k83 h PRO 1294Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k83 h PRO 1294Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1k83 h PRO 1294CO 0.59 0.03 0.00 2.41 -0.23 0.00 0.00 178.00 180.80 1k83 n THR 1295N -4.17 0.23 0.00 1.56 -1.04 -1.26 -4.96 114.28 104.65 1k83 n THR 1295Ca -0.03 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1k83 n THR 1295Cb 0.11 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1k83 n THR 1295CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k83 n GLY 1296N 1.38 2.52 3.79 3.41 0.00 -0.14 -1.82 105.19 114.33 1k83 n GLY 1296Ca 0.06 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1k83 n GLY 1296CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k83 s GLU 1297N 0.00 3.29 0.13 1.61 8.01 -1.22 -4.39 118.70 126.13 1k83 s GLU 1297Ca 0.00 1.37 -0.30 0.00 0.01 0.00 0.00 54.97 56.05 1k83 s GLU 1297Cb 0.00 -2.02 -0.07 0.00 -4.31 0.00 0.00 34.13 27.74 1k83 s GLU 1297CO 0.00 -0.86 1.11 0.71 0.01 0.00 0.00 175.26 176.23 1k83 s TYR 1298N -2.19 3.57 0.19 1.61 1.51 -1.26 -0.74 117.35 120.03 1k83 s TYR 1298Ca 0.67 1.54 0.05 0.00 -1.01 0.00 0.00 57.07 58.33 1k83 s TYR 1298Cb -0.19 -3.29 -0.05 0.00 -0.11 0.00 0.00 41.96 38.32 1k83 s TYR 1298CO 0.33 -0.69 -0.09 0.08 -1.11 0.00 0.00 175.55 174.06 1k83 s VAL 1299N 0.17 1.34 -0.06 0.71 1.01 0.75 -4.89 120.40 119.42 1k83 s VAL 1299Ca 0.52 -2.10 -0.16 0.00 0.00 0.00 0.00 61.98 60.24 1k83 s VAL 1299Cb -0.29 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1k83 s VAL 1299CO 0.33 -0.60 0.41 -0.54 0.00 0.00 0.00 175.10 174.70 1k83 s LYS 1300N -3.74 4.10 -0.39 2.72 1.02 -1.26 0.40 119.74 122.59 1k83 s LYS 1300Ca 0.21 0.38 0.01 0.00 0.02 0.00 0.00 55.97 56.60 1k83 s LYS 1300Cb 0.02 -3.31 0.12 0.00 -0.52 0.00 0.00 37.83 34.14 1k83 s LYS 1300CO 0.04 0.47 0.18 -1.21 -0.92 0.00 0.00 175.35 173.91 1k83 s GLU 1301N -0.35 1.08 0.41 1.68 2.02 0.80 -4.88 118.70 119.47 1k83 s GLU 1301Ca 0.23 -1.67 -0.27 0.00 0.02 0.00 0.00 54.97 53.29 1k83 s GLU 1301Cb -0.16 -2.23 -0.10 0.00 0.10 0.00 0.00 34.13 31.74 1k83 s GLU 1301CO 0.11 -1.09 1.47 -1.25 0.02 0.00 0.00 175.26 174.52 1k83 s PRO 1302N 0.83 3.92 0.06 0.39 0.04 -1.26 -3.22 135.00 135.76 1k83 s PRO 1302Ca 0.15 2.53 0.01 0.00 0.04 0.00 0.00 61.00 63.73 1k83 s PRO 1302Cb -0.22 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 1k83 s PRO 1302CO -0.08 -0.67 -0.06 -1.83 0.04 0.00 0.00 177.00 174.40 1k83 s GLU 1303N -2.26 0.64 0.01 4.56 -1.05 -0.59 -4.76 118.70 115.25 1k83 s GLU 1303Ca 0.56 -1.04 -0.20 0.00 -0.15 0.00 0.00 54.97 54.14 1k83 s GLU 1303Cb -0.46 -0.13 -0.06 0.00 -0.44 0.00 0.00 34.13 33.05 1k83 s GLU 1303CO 0.61 -0.02 0.59 -1.58 0.95 0.00 0.00 175.26 175.81 1k83 s TRP 1304N -2.70 3.70 0.11 4.83 0.52 -0.73 -1.93 118.94 122.73 1k83 s TRP 1304Ca 0.01 1.20 0.04 0.00 0.02 0.00 0.00 56.10 57.37 1k83 s TRP 1304Cb -0.01 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.69 1k83 s TRP 1304CO -0.04 0.39 -0.10 0.08 0.02 0.00 0.00 176.95 177.31 1k83 s VAL 1305N -0.35 0.98 -0.16 4.03 1.01 -0.69 -4.22 120.40 121.00 1k83 s VAL 1305Ca 0.30 -1.73 -0.02 0.00 0.00 0.00 0.00 61.98 60.53 1k83 s VAL 1305Cb -0.18 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1k83 s VAL 1305CO 0.17 -0.60 -0.08 -0.76 0.00 0.00 0.00 175.10 173.83 1k83 s LEU 1306N -2.60 2.93 -0.22 3.92 1.43 -0.53 -1.76 118.68 121.85 1k83 s LEU 1306Ca 0.08 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1k83 s LEU 1306Cb -0.02 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 1k83 s LEU 1306CO -0.00 0.12 -0.04 -1.61 0.23 0.00 0.00 176.35 175.05 1k83 s GLU 1307N 0.63 3.38 0.24 1.70 2.02 0.10 -1.41 118.70 125.35 1k83 s GLU 1307Ca -0.05 -0.62 0.07 0.00 0.02 0.00 0.00 54.97 54.39 1k83 s GLU 1307Cb -0.15 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1k83 s GLU 1307CO 0.03 -0.20 0.19 0.95 0.02 0.00 0.00 175.26 176.25 1k83 s THR 1308N 1.48 4.49 -0.35 3.63 -4.23 -0.13 -1.14 115.64 119.40 1k83 s THR 1308Ca 0.06 -1.34 -0.02 0.00 -1.18 0.00 0.00 61.69 59.21 1k83 s THR 1308Cb -0.14 -3.41 0.08 0.00 1.34 0.00 0.00 72.50 70.37 1k83 s THR 1308CO -0.03 -0.31 0.10 -1.81 -0.54 0.00 0.00 174.62 172.03 1k83 s ASP 1309N -3.74 5.09 0.00 3.99 1.11 -0.95 -3.20 116.67 118.97 1k83 s ASP 1309Ca 0.33 -1.64 0.00 0.00 0.18 0.00 0.00 52.55 51.42 1k83 s ASP 1309Cb -0.08 -1.77 0.00 0.00 1.07 0.00 0.00 42.92 42.13 1k83 s ASP 1309CO 0.25 -0.40 0.00 0.61 1.18 0.00 0.00 175.17 176.81 1k83 n GLY 1310N 4.61 3.26 3.13 0.21 0.00 0.19 -1.92 105.19 114.67 1k83 n GLY 1310Ca -0.07 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 1k83 n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k83 s VAL 1311N -1.86 1.16 -0.47 1.61 1.01 -1.26 -4.29 120.40 116.31 1k83 s VAL 1311Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1k83 s VAL 1311Cb 0.00 -1.00 0.23 0.00 0.00 0.00 0.00 36.38 35.60 1k83 s VAL 1311CO 0.00 0.20 0.89 -3.20 0.00 0.00 0.00 175.10 172.99 1k83 n ASN 1312N 2.37 -2.81 0.34 3.32 2.85 -1.26 -4.79 115.26 115.27 1k83 n ASN 1312Ca -0.16 -2.84 -0.18 0.00 -0.11 0.00 0.00 54.58 51.29 1k83 n ASN 1312Cb 0.55 1.61 -0.09 0.00 1.24 0.00 0.00 39.78 43.09 1k83 n ASN 1312CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1k83 h LEU 1313N 4.25 -0.85 -0.84 1.20 5.85 -1.96 -2.17 115.31 120.80 1k83 h LEU 1313Ca -0.08 0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.88 1k83 h LEU 1313Cb 1.09 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 42.24 1k83 h LEU 1313CO 0.14 -0.56 0.31 0.77 -0.34 0.00 0.00 178.44 178.76 1k83 h SER 1314N -0.89 0.21 0.10 1.25 4.64 -1.98 0.22 113.55 117.11 1k83 h SER 1314Ca -0.08 0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.25 1k83 h SER 1314Cb 0.71 0.15 0.02 0.00 -0.31 0.00 0.00 62.40 62.97 1k83 h SER 1314CO 0.10 -0.00 -0.61 -0.33 -0.87 0.00 0.00 176.83 175.11 1k83 h GLU 1315N 0.36 0.23 -0.56 4.77 5.08 -1.99 -3.34 114.58 119.13 1k83 h GLU 1315Ca 0.50 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1k83 h GLU 1315Cb 0.90 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1k83 h GLU 1315CO -0.52 1.18 0.02 0.28 -1.00 0.00 0.00 179.01 178.98 1k83 h VAL 1316N -0.51 1.26 -0.95 3.13 2.07 -1.26 -2.77 116.25 117.21 1k83 h VAL 1316Ca -0.11 -1.07 0.26 0.00 0.82 0.00 0.00 66.70 66.60 1k83 h VAL 1316Cb 1.48 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1k83 h VAL 1316CO 0.12 0.39 0.66 -0.03 0.02 0.00 0.00 177.57 178.72 1k83 h MET 1317N 0.88 0.14 -0.01 1.57 1.85 -1.09 0.76 114.93 119.03 1k83 h MET 1317Ca 0.17 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.25 1k83 h MET 1317Cb 0.49 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.49 1k83 h MET 1317CO 0.02 0.09 -0.03 -2.37 -0.40 0.00 0.00 176.91 174.22 1k83 n THR 1318N -4.36 0.00 -2.37 -0.77 5.66 -1.04 -4.55 114.28 106.84 1k83 n THR 1318Ca 0.20 -0.20 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1k83 n THR 1318Cb 0.93 0.35 -0.03 0.00 -1.55 0.00 0.00 70.33 70.02 1k83 n THR 1318CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1k83 s VAL 1319N -2.07 3.49 0.71 1.08 1.01 0.26 -4.99 120.40 119.89 1k83 s VAL 1319Ca 0.37 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.53 1k83 s VAL 1319Cb 0.21 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1k83 s VAL 1319CO 0.36 0.24 1.14 -2.16 0.00 0.00 0.00 175.10 174.67 1k83 s PRO 1320N -0.56 2.45 0.00 2.72 0.04 -1.26 -3.64 135.00 134.75 1k83 s PRO 1320Ca 0.51 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1k83 s PRO 1320Cb -0.33 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1k83 s PRO 1320CO 0.38 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 176.30 1k83 n GLY 1321N -0.32 3.01 3.56 0.56 0.00 -1.26 -4.98 105.19 105.76 1k83 n GLY 1321Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1k83 n GLY 1321CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1k83 n ILE 1322N -2.00 0.00 -3.77 -0.61 -5.35 -1.24 -1.74 119.36 104.65 1k83 n ILE 1322Ca 0.00 -1.67 -0.34 0.00 -0.27 0.00 0.00 62.75 60.47 1k83 n ILE 1322Cb 0.00 -0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 37.13 1k83 n ILE 1322CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1k83 s ASP 1323N -4.41 5.15 0.31 7.28 -1.08 -0.67 -3.71 116.67 119.54 1k83 s ASP 1323Ca 0.57 -3.24 0.13 0.00 -0.52 0.00 0.00 52.55 49.49 1k83 s ASP 1323Cb -0.04 -1.79 0.72 0.00 -1.46 0.00 0.00 42.92 40.35 1k83 s ASP 1323CO 0.37 -0.25 1.31 -0.81 0.52 0.00 0.00 175.17 176.30 1k83 n PRO 1324N 2.91 0.09 0.20 4.34 -0.04 -1.26 -0.87 135.00 140.36 1k83 n PRO 1324Ca 0.12 0.56 0.09 0.00 -0.04 0.00 0.00 63.50 64.24 1k83 n PRO 1324Cb 0.36 -2.06 0.16 0.00 -0.04 0.00 0.00 33.50 31.91 1k83 n PRO 1324CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1k83 h THR 1325N 0.00 0.27 -0.00 0.52 2.02 -1.93 -3.33 112.91 110.46 1k83 h THR 1325Ca 0.00 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1k83 h THR 1325Cb 0.54 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1k83 h THR 1325CO 0.00 0.15 -0.08 0.54 0.37 0.00 0.00 175.52 176.50 1k83 n ARG 1326N -3.15 2.32 -1.66 6.66 1.74 -0.05 -5.05 116.66 117.48 1k83 n ARG 1326Ca 0.03 -0.42 -0.42 0.00 -0.77 0.00 0.00 57.85 56.27 1k83 n ARG 1326Cb 0.58 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 1k83 n ARG 1326CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1k83 n ILE 1327N -0.35 2.31 -4.16 0.55 3.06 -1.16 -4.75 119.36 114.87 1k83 n ILE 1327Ca 0.02 -0.50 -0.11 0.00 -2.50 0.00 0.00 62.75 59.66 1k83 n ILE 1327Cb 0.08 -1.36 -0.10 0.00 0.54 0.00 0.00 39.64 38.81 1k83 n ILE 1327CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 1k83 s TYR 1328N -1.18 0.97 -0.25 9.51 5.04 -0.04 -5.00 117.35 126.40 1k83 s TYR 1328Ca 0.60 -1.26 -0.26 0.00 -2.44 0.00 0.00 57.07 53.71 1k83 s TYR 1328Cb -0.56 -0.47 0.10 0.00 0.35 0.00 0.00 41.96 41.37 1k83 s TYR 1328CO 0.59 -0.62 0.88 -0.08 -1.34 0.00 0.00 175.55 174.98 1k83 s THR 1329N -4.10 0.00 -2.00 4.34 -1.32 -1.26 -0.51 115.64 110.79 1k83 s THR 1329Ca 0.32 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.01 1k83 s THR 1329Cb 0.07 -1.00 0.62 0.00 -1.51 0.00 0.00 72.50 70.67 1k83 s THR 1329CO 0.07 0.00 1.74 -0.46 -2.21 0.00 0.00 174.62 173.77 1k83 n ASN 1330N 2.21 0.00 -4.30 8.08 0.23 -1.13 -4.23 115.26 116.12 1k83 n ASN 1330Ca -0.13 -1.02 -0.44 0.00 -0.53 0.00 0.00 54.58 52.46 1k83 n ASN 1330Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 1k83 n ASN 1330CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1k83 n SER 1331N -0.90 5.38 0.11 0.53 2.88 -1.26 -4.82 113.62 115.53 1k83 n SER 1331Ca 0.16 -3.05 0.19 0.00 -1.33 0.00 0.00 58.87 54.85 1k83 n SER 1331Cb 0.07 -1.48 0.67 0.00 -0.75 0.00 0.00 64.21 62.72 1k83 n SER 1331CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1k83 h PHE 1332N 6.65 0.00 -0.13 0.66 -5.15 -1.91 0.12 116.94 117.18 1k83 h PHE 1332Ca 0.29 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 58.05 1k83 h PHE 1332Cb 0.81 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.98 1k83 h PHE 1332CO 1.03 0.00 0.06 0.82 -2.00 0.00 0.00 178.31 178.22 1k83 h ILE 1333N 0.00 1.14 -0.46 0.88 2.04 -1.94 0.10 117.51 119.26 1k83 h ILE 1333Ca 0.19 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1k83 h ILE 1333Cb 1.33 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1k83 h ILE 1333CO -0.00 0.12 0.04 0.44 0.00 0.00 0.00 178.15 178.75 1k83 h ASP 1334N 0.07 0.70 -0.07 1.72 3.32 -1.19 -2.19 116.42 118.78 1k83 h ASP 1334Ca 0.04 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1k83 h ASP 1334Cb 0.14 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1k83 h ASP 1334CO -0.00 0.74 0.03 0.40 -1.72 0.00 0.00 179.24 178.69 1k83 h ILE 1335N 0.70 1.11 -0.01 0.35 2.04 -1.07 -1.64 117.51 119.00 1k83 h ILE 1335Ca 0.15 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1k83 h ILE 1335Cb 0.37 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1k83 h ILE 1335CO 0.01 0.10 0.01 -0.03 0.00 0.00 0.00 178.15 178.24 1k83 h MET 1336N -0.02 0.00 0.00 2.37 4.05 -0.71 0.56 114.93 121.18 1k83 h MET 1336Ca 0.02 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.32 1k83 h MET 1336Cb 0.13 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1k83 h MET 1336CO -0.00 0.00 -0.99 0.93 0.23 0.00 0.00 176.91 177.07 1k83 h GLU 1337N 0.00 0.00 0.01 0.39 5.08 -0.94 -2.30 114.58 116.82 1k83 h GLU 1337Ca 0.01 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.96 1k83 h GLU 1337Cb 0.03 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 1k83 h GLU 1337CO -0.00 0.33 -2.46 0.28 -1.00 0.00 0.00 179.01 176.17 1k83 n VAL 1338N -3.00 1.51 0.51 3.13 0.31 -0.66 -4.64 118.33 115.49 1k83 n VAL 1338Ca -0.04 -0.54 0.11 0.00 -0.01 0.00 0.00 64.34 63.86 1k83 n VAL 1338Cb 0.76 -1.53 -0.12 0.00 -0.91 0.00 0.00 33.84 32.05 1k83 n VAL 1338CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1k83 n LEU 1339N -3.46 0.53 0.00 7.52 4.77 0.19 -5.10 117.00 121.44 1k83 n LEU 1339Ca -0.47 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1k83 n LEU 1339Cb 0.97 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1k83 n LEU 1339CO 0.23 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1k83 n GLY 1340N 1.38 2.10 0.29 -0.72 0.00 -0.86 -4.59 105.19 102.79 1k83 n GLY 1340Ca 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 46.02 44.00 1k83 n GLY 1340CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k83 h ILE 1341N 0.00 1.13 -0.56 -0.61 2.10 -1.87 0.19 117.51 117.89 1k83 h ILE 1341Ca 0.00 -0.33 0.05 0.00 1.08 0.00 0.00 64.86 65.66 1k83 h ILE 1341Cb 0.00 0.09 -0.05 0.00 -1.09 0.00 0.00 36.82 35.77 1k83 h ILE 1341CO 0.00 0.18 0.29 -0.33 -1.08 0.00 0.00 178.15 177.21 1k83 h GLU 1342N 0.96 0.54 -0.38 2.19 4.39 -1.94 0.80 114.58 121.13 1k83 h GLU 1342Ca 0.30 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.82 1k83 h GLU 1342Cb -0.02 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1k83 h GLU 1342CO -0.10 0.36 -0.33 0.00 -1.16 0.00 0.00 179.01 177.78 1k83 h ALA 1343N 1.30 0.70 -0.90 3.43 0.00 -1.75 -1.96 119.26 120.09 1k83 h ALA 1343Ca 0.25 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1k83 h ALA 1343Cb 0.15 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1k83 h ALA 1343CO -0.17 0.67 0.57 0.78 0.00 0.00 0.00 179.25 181.09 1k83 h GLY 1344N 0.88 1.36 0.91 0.00 0.00 0.72 -0.61 103.07 106.34 1k83 h GLY 1344Ca 0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1k83 h GLY 1344CO 0.08 0.29 0.10 -0.09 0.00 0.00 0.00 176.54 176.92 1k83 h ARG 1345N 1.03 0.33 -0.07 4.80 2.43 0.10 -0.68 114.38 122.33 1k83 h ARG 1345Ca 0.39 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1k83 h ARG 1345Cb 0.16 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1k83 h ARG 1345CO -0.17 0.36 -0.02 0.00 -1.51 0.00 0.00 179.97 178.63 1k83 h ALA 1346N 0.95 0.04 -0.79 2.80 0.00 -0.80 -0.88 119.26 120.58 1k83 h ALA 1346Ca 0.08 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1k83 h ALA 1346Cb 0.15 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1k83 h ALA 1346CO -0.01 -0.49 0.52 0.00 0.00 0.00 0.00 179.25 179.27 1k83 h ALA 1347N 1.06 1.46 -0.13 0.00 0.00 -1.02 0.09 119.26 120.73 1k83 h ALA 1347Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1k83 h ALA 1347Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1k83 h ALA 1347CO -0.07 0.50 -0.28 1.25 0.00 0.00 0.00 179.25 180.65 1k83 h LEU 1348N 1.05 0.23 -0.08 0.00 5.85 -0.51 -1.19 115.31 120.65 1k83 h LEU 1348Ca 0.29 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1k83 h LEU 1348Cb -0.09 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1k83 h LEU 1348CO -0.07 0.51 -0.15 0.22 -0.34 0.00 0.00 178.44 178.62 1k83 h TYR 1349N 0.21 0.30 -0.25 1.25 3.20 0.25 -2.12 116.97 119.82 1k83 h TYR 1349Ca 0.03 -0.11 0.07 0.00 3.14 0.00 0.00 58.73 61.87 1k83 h TYR 1349Cb 0.60 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1k83 h TYR 1349CO 0.01 0.74 0.18 -0.22 -1.64 0.00 0.00 178.16 177.23 1k83 h LYS 1350N -0.22 0.00 0.00 1.82 3.64 -0.76 0.64 116.57 121.69 1k83 h LYS 1350Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1k83 h LYS 1350Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1k83 h LYS 1350CO 0.03 0.00 -0.00 0.93 -2.27 0.00 0.00 179.45 178.14 1k83 h GLU 1351N 0.00 -0.00 -0.83 1.90 4.39 -1.10 -2.14 114.58 116.80 1k83 h GLU 1351Ca 0.12 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.90 1k83 h GLU 1351Cb 0.47 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 1k83 h GLU 1351CO -0.00 0.90 0.48 0.28 -1.16 0.00 0.00 179.01 179.52 1k83 h VAL 1352N -0.97 0.94 -0.17 3.13 2.07 -1.18 -1.85 116.25 118.22 1k83 h VAL 1352Ca -0.00 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1k83 h VAL 1352Cb 0.91 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1k83 h VAL 1352CO 0.00 0.15 0.08 0.22 0.02 0.00 0.00 177.57 178.04 1k83 h TYR 1353N 0.83 0.15 -0.50 1.57 3.20 -0.94 -2.70 116.97 118.59 1k83 h TYR 1353Ca 0.39 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.26 1k83 h TYR 1353Cb 0.31 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1k83 h TYR 1353CO -0.05 0.09 0.29 -0.91 -1.64 0.00 0.00 178.16 175.94 1k83 h ASN 1354N 0.18 0.59 -0.39 -2.11 2.35 -0.65 -0.32 115.58 115.22 1k83 h ASN 1354Ca 0.07 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1k83 h ASN 1354Cb 0.01 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1k83 h ASN 1354CO -0.05 0.46 0.06 0.58 -1.65 0.00 0.00 177.43 176.83 1k83 h VAL 1355N 0.68 1.22 0.03 2.81 2.07 -1.09 -0.49 116.25 121.48 1k83 h VAL 1355Ca 0.18 -0.85 -0.24 0.00 0.82 0.00 0.00 66.70 66.61 1k83 h VAL 1355Cb -0.01 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1k83 h VAL 1355CO -0.03 0.31 -1.14 0.40 0.02 0.00 0.00 177.57 177.12 1k83 h ILE 1356N 0.70 1.57 -0.00 4.57 2.04 -1.07 -3.22 117.51 122.10 1k83 h ILE 1356Ca 0.15 -3.25 0.00 0.00 1.00 0.00 0.00 64.86 62.76 1k83 h ILE 1356Cb 0.34 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1k83 h ILE 1356CO 0.01 0.91 -0.02 0.00 0.00 0.00 0.00 178.15 179.05 1k83 n ALA 1357N -2.42 2.40 0.09 1.87 0.00 -0.20 -2.75 120.51 119.49 1k83 n ALA 1357Ca -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.29 1k83 n ALA 1357Cb 0.97 -1.46 0.33 0.00 0.00 0.00 0.00 19.45 19.29 1k83 n ALA 1357CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k83 h SER 1358N 0.01 0.29 -0.63 0.00 4.64 -1.10 -1.48 113.55 115.28 1k83 h SER 1358Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1k83 h SER 1358Cb 0.47 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1k83 h SER 1358CO 0.00 0.49 0.00 0.47 -0.87 0.00 0.00 176.83 176.92 1k83 n ASP 1359N -4.21 3.44 0.00 4.97 8.00 -1.24 -4.90 116.55 122.61 1k83 n ASP 1359Ca -0.00 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.47 1k83 n ASP 1359Cb 0.32 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1k83 n ASP 1359CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k83 n GLY 1360N 1.48 2.39 3.76 0.44 0.00 -0.56 -4.99 105.19 107.71 1k83 n GLY 1360Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1k83 n GLY 1360CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k83 n SER 1361N 0.00 3.51 -4.44 1.61 7.64 -1.11 -4.93 113.62 115.90 1k83 n SER 1361Ca 0.00 1.18 -0.31 0.00 1.01 0.00 0.00 58.87 60.75 1k83 n SER 1361Cb 0.00 -1.60 -0.13 0.00 -1.01 0.00 0.00 64.21 61.47 1k83 n SER 1361CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k83 s TYR 1362N -1.15 2.56 -0.12 1.43 5.04 -1.26 -3.88 117.35 119.97 1k83 s TYR 1362Ca 0.57 -0.26 -0.05 0.00 -2.44 0.00 0.00 57.07 54.89 1k83 s TYR 1362Cb -0.47 -1.50 0.06 0.00 0.35 0.00 0.00 41.96 40.39 1k83 s TYR 1362CO 0.61 0.20 0.24 0.08 -1.34 0.00 0.00 175.55 175.34 1k83 s VAL 1363N -0.84 -0.32 0.21 3.14 1.01 -1.26 -4.70 120.40 117.64 1k83 s VAL 1363Ca 0.13 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.07 1k83 s VAL 1363Cb -0.10 -0.40 -0.15 0.00 0.00 0.00 0.00 36.38 35.72 1k83 s VAL 1363CO 0.03 0.11 1.05 -3.20 0.00 0.00 0.00 175.10 173.10 1k83 n ASN 1364N 5.13 1.08 -0.38 3.32 5.15 -0.93 -4.88 115.26 123.74 1k83 n ASN 1364Ca -0.10 1.15 -0.11 0.00 -0.60 0.00 0.00 54.58 54.92 1k83 n ASN 1364Cb 0.50 -1.21 -0.10 0.00 -0.53 0.00 0.00 39.78 38.44 1k83 n ASN 1364CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1k83 h TYR 1365N 2.67 -1.87 -1.14 1.20 3.20 -1.97 -2.53 116.97 116.54 1k83 h TYR 1365Ca -0.41 0.12 0.44 0.00 3.14 0.00 0.00 58.73 62.03 1k83 h TYR 1365Cb 1.35 0.94 -0.17 0.00 1.54 0.00 0.00 36.73 40.39 1k83 h TYR 1365CO 0.51 -0.38 0.67 0.07 -1.64 0.00 0.00 178.16 177.38 1k83 h ARG 1366N -0.05 0.00 -0.22 1.82 0.11 -1.89 0.22 114.38 114.36 1k83 h ARG 1366Ca 0.15 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.20 1k83 h ARG 1366Cb 0.43 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 1k83 h ARG 1366CO -0.89 0.00 0.01 0.45 0.10 0.00 0.00 179.97 179.64 1k83 h HIS 1367N 0.00 0.42 0.00 4.08 3.86 -1.80 0.25 115.15 121.96 1k83 h HIS 1367Ca 0.86 -0.07 -0.16 0.00 -1.16 0.00 0.00 60.37 59.85 1k83 h HIS 1367Cb 2.47 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 30.80 1k83 h HIS 1367CO -0.01 0.55 -0.75 0.52 0.86 0.00 0.00 177.93 179.10 1k83 h MET 1368N 0.16 0.00 -0.35 2.45 2.86 -1.31 -2.80 114.93 115.94 1k83 h MET 1368Ca 0.06 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1k83 h MET 1368Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1k83 h MET 1368CO 0.01 0.75 0.08 0.00 1.06 0.00 0.00 176.91 178.81 1k83 h ALA 1369N 1.25 0.46 -0.76 6.32 0.00 -0.43 -1.57 119.26 124.54 1k83 h ALA 1369Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1k83 h ALA 1369Cb 1.45 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1k83 h ALA 1369CO 0.10 0.13 0.48 1.25 0.00 0.00 0.00 179.25 181.21 1k83 h LEU 1370N 0.41 0.89 0.56 0.00 5.85 -0.38 -0.64 115.31 122.01 1k83 h LEU 1370Ca 0.11 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1k83 h LEU 1370Cb 0.30 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1k83 h LEU 1370CO 0.00 0.67 -0.34 0.25 -0.34 0.00 0.00 178.44 178.68 1k83 h LEU 1371N 1.03 -0.86 -1.91 2.25 5.85 -1.28 -1.87 115.31 118.52 1k83 h LEU 1371Ca 0.28 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.15 1k83 h LEU 1371Cb -0.08 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1k83 h LEU 1371CO -0.06 -0.54 0.30 0.58 -0.34 0.00 0.00 178.44 178.38 1k83 h VAL 1372N -0.86 0.84 -0.05 1.05 2.07 -1.04 -1.90 116.25 116.35 1k83 h VAL 1372Ca -0.07 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 1k83 h VAL 1372Cb 0.70 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1k83 h VAL 1372CO 0.07 0.02 -0.30 0.44 0.02 0.00 0.00 177.57 177.82 1k83 h ASP 1373N 0.10 0.35 -1.01 0.57 3.32 -0.67 -3.01 116.42 116.08 1k83 h ASP 1373Ca 0.20 -0.67 0.08 0.00 0.02 0.00 0.00 57.03 56.67 1k83 h ASP 1373Cb 0.66 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.04 1k83 h ASP 1373CO -0.02 0.96 0.64 0.58 -1.72 0.00 0.00 179.24 179.69 1k83 h VAL 1374N -0.23 1.03 0.00 -1.35 2.07 -0.90 0.38 116.25 117.25 1k83 h VAL 1374Ca -0.02 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1k83 h VAL 1374Cb 0.96 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1k83 h VAL 1374CO 0.06 0.20 0.00 0.23 0.02 0.00 0.00 177.57 178.08 1k83 n MET 1375N -4.54 0.02 -0.00 1.57 2.81 -0.76 -3.68 117.12 112.53 1k83 n MET 1375Ca 0.17 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 1k83 n MET 1375Cb 0.24 -1.53 -0.02 0.00 -0.71 0.00 0.00 33.22 31.20 1k83 n MET 1375CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1k83 n THR 1376N -1.56 0.06 -0.34 2.03 -1.04 0.22 -0.60 114.28 113.05 1k83 n THR 1376Ca 0.04 -0.08 0.33 0.00 -2.04 0.00 0.00 64.05 62.30 1k83 n THR 1376Cb 0.18 -0.02 0.59 0.00 -1.82 0.00 0.00 70.33 69.26 1k83 n THR 1376CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1k83 n THR 1377N -1.76 -0.36 -0.04 12.58 -1.04 0.11 -1.12 114.28 122.64 1k83 n THR 1377Ca -0.02 1.88 -0.06 0.00 -2.04 0.00 0.00 64.05 63.81 1k83 n THR 1377Cb 0.24 -3.07 0.13 0.00 -1.82 0.00 0.00 70.33 65.81 1k83 n THR 1377CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k83 n GLN 1378N -5.02 2.11 -0.33 -2.82 6.02 -1.26 -4.88 117.38 111.19 1k83 n GLN 1378Ca 0.37 -1.52 0.00 0.00 -0.01 0.00 0.00 57.00 55.84 1k83 n GLN 1378Cb 1.30 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.87 1k83 n GLN 1378CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k83 n GLY 1379N -0.09 2.07 3.22 1.08 0.00 -0.28 -4.96 105.19 106.23 1k83 n GLY 1379Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 1k83 n GLY 1379CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k83 s GLY 1380N -2.00 1.44 -0.89 -0.02 0.00 -1.25 -4.79 107.32 99.81 1k83 s GLY 1380Ca 0.00 -1.68 -0.24 0.00 0.00 0.00 0.00 44.72 42.80 1k83 s GLY 1380CO 0.00 -1.37 1.33 1.08 0.00 0.00 0.00 173.10 174.14 1k83 s LEU 1381N -3.16 3.54 -0.26 0.66 1.43 -1.26 -4.22 118.68 115.41 1k83 s LEU 1381Ca 0.38 -1.10 -0.22 0.00 -1.03 0.00 0.00 54.13 52.17 1k83 s LEU 1381Cb 0.07 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1k83 s LEU 1381CO 0.12 -1.59 0.69 -0.89 0.23 0.00 0.00 176.35 174.91 1k83 s THR 1382N 5.03 4.93 0.65 5.49 2.01 0.24 -4.99 115.64 128.99 1k83 s THR 1382Ca 0.40 1.21 -0.17 0.00 0.31 0.00 0.00 61.69 63.43 1k83 s THR 1382Cb -0.04 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 1k83 s THR 1382CO 0.00 -0.04 1.23 -0.55 -0.69 0.00 0.00 174.62 174.58 1k83 s SER 1383N 1.47 4.74 -0.22 3.53 0.15 -1.26 -4.58 113.70 117.52 1k83 s SER 1383Ca 0.29 2.44 -0.17 0.00 0.70 0.00 0.00 55.95 59.21 1k83 s SER 1383Cb -0.15 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.42 1k83 s SER 1383CO 0.09 -1.90 -0.09 0.52 1.20 0.00 0.00 173.24 173.05 1k83 n VAL 1384N -2.02 1.51 -1.35 4.45 0.31 -0.23 -4.70 118.33 116.31 1k83 n VAL 1384Ca 0.14 -0.10 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 1k83 n VAL 1384Cb 0.49 -2.06 -0.08 0.00 -0.91 0.00 0.00 33.84 31.28 1k83 n VAL 1384CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1k83 n THR 1385N -4.40 0.00 -1.80 2.52 -1.04 -1.22 -4.36 114.28 103.99 1k83 n THR 1385Ca -0.35 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 1k83 n THR 1385Cb 0.68 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 1k83 n THR 1385CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1k83 n ARG 1386N 6.79 -0.49 -0.04 -2.82 1.85 -1.26 -4.99 116.66 115.70 1k83 n ARG 1386Ca 0.26 0.47 -0.03 0.00 -1.00 0.00 0.00 57.85 57.54 1k83 n ARG 1386Cb 0.48 -0.47 -0.01 0.00 -1.05 0.00 0.00 32.46 31.41 1k83 n ARG 1386CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1k83 n HIS 1387N 1.97 0.23 -2.62 2.89 8.25 -1.26 -4.98 115.22 119.69 1k83 n HIS 1387Ca 0.00 0.10 -0.35 0.00 -0.26 0.00 0.00 57.72 57.21 1k83 n HIS 1387Cb 0.00 -0.37 -0.05 0.00 1.12 0.00 0.00 29.99 30.69 1k83 n HIS 1387CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1k83 s GLY 1388N -3.64 2.63 0.16 -1.41 0.00 -1.26 -4.94 107.32 98.86 1k83 s GLY 1388Ca -0.11 0.60 0.26 0.00 0.00 0.00 0.00 44.72 45.47 1k83 s GLY 1388CO 0.16 0.98 1.65 0.69 0.00 0.00 0.00 173.10 176.58 1k83 n PHE 1389N -0.30 0.71 -3.35 1.90 3.01 -1.26 -4.36 117.46 113.80 1k83 n PHE 1389Ca 0.06 0.21 -0.25 0.00 1.01 0.00 0.00 57.45 58.48 1k83 n PHE 1389Cb 0.51 -0.80 -0.09 0.00 -0.01 0.00 0.00 39.48 39.09 1k83 n PHE 1389CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1k83 s ASN 1390N -4.25 1.46 0.00 4.37 0.01 -1.26 -5.04 114.94 110.22 1k83 s ASN 1390Ca 0.10 -2.68 0.00 0.00 -0.71 0.00 0.00 52.86 49.56 1k83 s ASN 1390Cb 0.13 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.63 1k83 s ASN 1390CO 0.63 -0.19 0.00 0.54 -1.51 0.00 0.00 177.10 176.57 1k83 n ARG 1391N 3.19 0.00 0.00 -0.60 1.74 -1.26 -4.98 116.66 114.74 1k83 n ARG 1391Ca 0.24 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1k83 n ARG 1391Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1k83 n ARG 1391CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1k83 n SER 1392N 0.00 0.00 0.00 0.55 3.41 -1.26 -4.48 113.62 111.84 1k83 n SER 1392Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1k83 n SER 1392Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1k83 n SER 1392CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k83 n ASN 1393N 0.00 0.00 0.00 4.04 3.02 -1.26 -4.98 115.26 116.08 1k83 n ASN 1393Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1k83 n ASN 1393Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1k83 n ASN 1393CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1k83 n THR 1394N 0.00 0.00 -3.88 3.41 -1.04 -1.26 -4.95 114.28 106.56 1k83 n THR 1394Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1k83 n THR 1394Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1k83 n THR 1394CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1k83 s GLY 1395N 0.00 0.04 0.00 3.41 0.00 -1.26 -4.94 107.32 104.57 1k83 s GLY 1395Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1k83 s GLY 1395CO 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 173.10 172.98 1k83 n ALA 1396N 1.81 1.31 -0.06 3.20 0.00 -1.26 -1.49 120.51 124.02 1k83 n ALA 1396Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1k83 n ALA 1396Cb 0.56 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 1k83 n ALA 1396CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k83 n LEU 1397N -0.52 2.53 -4.33 0.00 4.77 -1.26 -4.86 117.00 113.32 1k83 n LEU 1397Ca 0.00 -0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.63 1k83 n LEU 1397Cb 0.00 -0.44 0.11 0.00 -2.33 0.00 0.00 43.42 40.77 1k83 n LEU 1397CO 0.00 0.62 -0.35 0.23 -1.33 0.00 0.00 177.39 176.56 1k83 n MET 1398N -3.04 -0.37 0.00 3.23 2.81 -0.55 -4.36 117.12 114.83 1k83 n MET 1398Ca -0.24 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.58 1k83 n MET 1398Cb 0.73 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 1k83 n MET 1398CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1k83 n ARG 1399N -1.04 0.00 -1.53 0.03 0.63 -1.26 -4.55 116.66 108.94 1k83 n ARG 1399Ca 0.05 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.68 1k83 n ARG 1399Cb 0.55 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.36 1k83 n ARG 1399CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1k83 s SER 1401N 9.36 6.73 0.38 0.00 1.04 -1.26 -4.83 113.70 125.12 1k83 s SER 1401Ca 1.11 1.93 0.00 0.00 0.48 0.00 0.00 55.95 59.46 1k83 s SER 1401Cb -0.51 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.04 1k83 s SER 1401CO 0.31 -0.51 0.00 0.49 0.98 0.00 0.00 173.24 174.52 1k83 n PHE 1402N -0.35 -2.68 1.12 5.02 3.01 -1.26 -3.57 117.46 118.74 1k83 n PHE 1402Ca 0.06 1.46 0.09 0.00 1.01 0.00 0.00 57.45 60.07 1k83 n PHE 1402Cb 0.51 -2.44 0.53 0.00 -0.01 0.00 0.00 39.48 38.08 1k83 n PHE 1402CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1k83 n GLU 1403N -2.44 0.56 -3.40 -1.08 1.02 -1.26 -3.30 120.64 110.72 1k83 n GLU 1403Ca -0.01 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.87 1k83 n GLU 1403Cb 0.33 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.17 1k83 n GLU 1403CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1k83 n GLU 1404N -1.00 1.96 0.14 3.49 1.02 -1.26 -4.81 120.64 120.17 1k83 n GLU 1404Ca 0.13 -4.26 0.02 0.00 -0.02 0.00 0.00 57.16 53.03 1k83 n GLU 1404Cb 0.06 -1.99 0.08 0.00 -0.02 0.00 0.00 31.44 29.57 1k83 n GLU 1404CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1k83 h THR 1405N 3.04 1.02 -1.02 2.62 2.02 -1.60 -3.15 112.91 115.84 1k83 h THR 1405Ca 0.17 -2.25 0.25 0.00 0.77 0.00 0.00 66.41 65.34 1k83 h THR 1405Cb 0.73 2.37 -0.10 0.00 -1.74 0.00 0.00 68.15 69.41 1k83 h THR 1405CO 0.72 0.55 0.64 0.58 0.37 0.00 0.00 175.52 178.38 1k83 h VAL 1406N 0.00 0.57 0.00 3.16 2.07 -1.89 0.45 116.25 120.60 1k83 h VAL 1406Ca -0.01 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 1k83 h VAL 1406Cb 1.33 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1k83 h VAL 1406CO 0.07 0.09 -0.50 -0.33 0.02 0.00 0.00 177.57 176.92 1k83 h GLU 1407N 0.48 0.00 -0.11 1.57 5.08 -1.95 0.25 114.58 119.89 1k83 h GLU 1407Ca 0.59 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.78 1k83 h GLU 1407Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1k83 h GLU 1407CO -0.33 0.50 -0.66 0.82 -1.00 0.00 0.00 179.01 178.34 1k83 h ILE 1408N 0.00 1.36 -0.04 3.13 2.04 -0.31 -2.81 117.51 120.88 1k83 h ILE 1408Ca -0.01 -2.01 -0.26 0.00 1.00 0.00 0.00 64.86 63.59 1k83 h ILE 1408Cb 1.02 1.99 0.02 0.00 -0.74 0.00 0.00 36.82 39.11 1k83 h ILE 1408CO 0.07 0.61 -0.97 -0.07 0.00 0.00 0.00 178.15 177.79 1k83 h LEU 1409N 0.33 0.93 -0.51 1.44 3.38 -0.92 -2.53 115.31 117.42 1k83 h LEU 1409Ca -0.02 -0.71 0.07 0.00 0.09 0.00 0.00 57.88 57.31 1k83 h LEU 1409Cb 1.22 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1k83 h LEU 1409CO 0.12 1.51 0.19 -0.26 0.09 0.00 0.00 178.44 180.09 1k83 h PHE 1410N 0.43 0.34 -0.26 1.13 0.05 -0.48 0.37 116.94 118.54 1k83 h PHE 1410Ca -0.11 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.62 1k83 h PHE 1410Cb 1.62 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 39.48 1k83 h PHE 1410CO 0.10 0.12 -0.17 0.93 -0.18 0.00 0.00 178.31 179.11 1k83 h GLU 1411N 0.38 0.57 -0.89 1.51 4.39 -1.55 -1.33 114.58 117.65 1k83 h GLU 1411Ca 0.25 -0.27 0.14 0.00 0.34 0.00 0.00 59.36 59.82 1k83 h GLU 1411Cb 0.25 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.81 1k83 h GLU 1411CO -0.24 0.84 0.50 0.00 -1.16 0.00 0.00 179.01 178.95 1k83 h ALA 1412N 0.71 1.36 0.55 3.43 0.00 -0.99 0.65 119.26 124.97 1k83 h ALA 1412Ca 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1k83 h ALA 1412Cb 0.70 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1k83 h ALA 1412CO 0.05 0.00 -0.26 0.78 0.00 0.00 0.00 179.25 179.82 1k83 h GLY 1413N 0.74 -0.77 2.00 0.00 0.00 -0.73 0.10 103.07 104.40 1k83 h GLY 1413Ca 0.48 0.28 0.00 0.00 0.00 0.00 0.00 47.33 48.09 1k83 h GLY 1413CO -0.33 -0.28 0.00 0.00 0.00 0.00 0.00 176.54 175.93 1k83 h ALA 1414N -0.70 1.00 -0.02 3.60 0.00 -0.55 -1.90 119.26 120.69 1k83 h ALA 1414Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1k83 h ALA 1414Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1k83 h ALA 1414CO 0.12 0.00 -0.01 0.43 0.00 0.00 0.00 179.25 179.79 1k83 n SER 1415N -2.53 2.59 -3.56 0.00 7.64 0.22 -4.48 113.62 113.50 1k83 n SER 1415Ca -0.01 -1.79 -0.21 0.00 1.01 0.00 0.00 58.87 57.87 1k83 n SER 1415Cb 0.12 0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.38 1k83 n SER 1415CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k83 n ALA 1416N 1.05 -2.21 -1.80 -0.43 0.00 -0.43 -4.74 120.51 111.96 1k83 n ALA 1416Ca 0.11 -0.10 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 1k83 n ALA 1416Cb 0.48 -3.22 -0.04 0.00 0.00 0.00 0.00 19.45 16.67 1k83 n ALA 1416CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1k83 s GLU 1417N -5.54 4.56 -0.33 0.00 2.12 0.22 -4.78 118.70 114.95 1k83 s GLU 1417Ca 0.18 1.90 -0.00 0.00 0.36 0.00 0.00 54.97 57.41 1k83 s GLU 1417Cb -0.04 -3.17 0.07 0.00 0.26 0.00 0.00 34.13 31.25 1k83 s GLU 1417CO 0.79 0.09 0.04 -1.17 -0.54 0.00 0.00 175.26 174.47 1k83 s LEU 1418N -1.38 4.30 -0.26 2.70 2.96 -1.26 -0.10 118.68 125.64 1k83 s LEU 1418Ca 0.46 -1.64 -0.29 0.00 -0.22 0.00 0.00 54.13 52.45 1k83 s LEU 1418Cb -0.34 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.66 1k83 s LEU 1418CO 0.43 -0.34 1.22 -1.81 -1.32 0.00 0.00 176.35 174.53 1k83 s ASP 1419N 1.29 6.85 0.36 3.68 1.11 0.33 -4.91 116.67 125.38 1k83 s ASP 1419Ca 0.00 1.34 0.15 0.00 0.18 0.00 0.00 52.55 54.22 1k83 s ASP 1419Cb -0.20 -2.54 0.68 0.00 1.07 0.00 0.00 42.92 41.92 1k83 s ASP 1419CO -0.04 -0.90 1.77 0.44 1.18 0.00 0.00 175.17 177.62 1k83 h ASP 1420N 8.54 0.00 -4.93 0.27 3.32 -1.87 -0.70 116.42 121.05 1k83 h ASP 1420Ca -0.24 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.67 1k83 h ASP 1420Cb 1.09 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.75 1k83 h ASP 1420CO 1.01 0.42 -0.47 0.00 -1.72 0.00 0.00 179.24 178.47 1k83 n ARG 1422N -2.49 1.62 -2.37 0.00 1.74 -1.26 -4.71 116.66 109.19 1k83 n ARG 1422Ca -0.04 -0.24 -0.27 0.00 -0.77 0.00 0.00 57.85 56.54 1k83 n ARG 1422Cb 0.57 -0.69 0.04 0.00 -1.02 0.00 0.00 32.46 31.35 1k83 n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1k83 s GLY 1423N -0.30 1.62 0.08 -0.13 0.00 -1.26 -4.48 107.32 102.85 1k83 s GLY 1423Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 1k83 s GLY 1423CO 0.00 -0.42 1.18 -2.08 0.00 0.00 0.00 173.10 171.78 1k83 h VAL 1424N -0.22 1.32 0.14 1.40 2.07 -1.98 -3.22 116.25 115.76 1k83 h VAL 1424Ca -0.45 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 64.63 1k83 h VAL 1424Cb 1.26 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1k83 h VAL 1424CO 0.61 0.74 -0.07 0.28 0.02 0.00 0.00 177.57 179.15 1k83 h SER 1425N 0.29 -0.16 -0.13 0.57 0.02 -1.96 -1.58 113.55 110.61 1k83 h SER 1425Ca -0.14 -0.28 0.04 0.00 -0.84 0.00 0.00 61.79 60.57 1k83 h SER 1425Cb 1.78 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 64.35 1k83 h SER 1425CO 0.21 0.21 0.11 1.05 -1.14 0.00 0.00 176.83 177.27 1k83 h GLU 1426N -0.54 0.00 0.00 3.45 4.11 -1.82 0.83 114.58 120.62 1k83 h GLU 1426Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1k83 h GLU 1426Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1k83 h GLU 1426CO 0.03 0.00 -0.66 -0.91 0.07 0.00 0.00 179.01 177.54 1k83 h ASN 1427N 0.00 0.00 0.01 3.06 2.35 -1.54 -2.89 115.58 116.57 1k83 h ASN 1427Ca 0.06 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 1k83 h ASN 1427Cb 0.28 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.66 1k83 h ASN 1427CO -0.00 0.01 -0.49 0.58 -1.65 0.00 0.00 177.43 175.88 1k83 h VAL 1428N 0.00 1.48 -0.56 2.81 2.07 0.13 0.40 116.25 122.57 1k83 h VAL 1428Ca 0.00 -2.07 0.12 0.00 0.82 0.00 0.00 66.70 65.57 1k83 h VAL 1428Cb 0.97 2.70 -0.03 0.00 -1.52 0.00 0.00 31.29 33.41 1k83 h VAL 1428CO 0.00 0.59 0.38 0.40 0.02 0.00 0.00 177.57 178.96 1k83 h ILE 1429N -0.26 0.83 -0.13 4.57 2.04 -1.15 0.34 117.51 123.75 1k83 h ILE 1429Ca -0.06 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1k83 h ILE 1429Cb 1.23 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1k83 h ILE 1429CO 0.10 0.04 0.00 0.18 0.00 0.00 0.00 178.15 178.47 1k83 n LEU 1430N -4.45 1.92 -0.02 1.44 4.77 -1.07 -4.93 117.00 114.66 1k83 n LEU 1430Ca 0.10 -0.74 -0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1k83 n LEU 1430Cb 0.46 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1k83 n LEU 1430CO 0.35 0.37 -0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1k83 n GLY 1431N 1.20 0.19 3.89 -0.72 0.00 0.12 -4.99 105.19 104.88 1k83 n GLY 1431Ca 0.17 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1k83 n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k83 s GLN 1432N -1.41 3.07 -0.02 1.61 -0.21 0.12 -4.97 119.66 117.85 1k83 s GLN 1432Ca 0.00 -1.00 -0.18 0.00 0.02 0.00 0.00 55.36 54.20 1k83 s GLN 1432Cb 0.00 -2.68 -0.05 0.00 1.00 0.00 0.00 33.01 31.28 1k83 s GLN 1432CO 0.00 0.32 0.51 0.00 -2.12 0.00 0.00 175.29 174.00 1k83 s MET 1433N -3.95 4.20 0.38 2.91 0.23 -1.26 -4.09 119.30 117.72 1k83 s MET 1433Ca 0.36 0.57 -0.27 0.00 -1.03 0.00 0.00 55.69 55.32 1k83 s MET 1433Cb -0.08 -3.32 -0.11 0.00 -1.53 0.00 0.00 34.83 29.79 1k83 s MET 1433CO 0.27 0.44 1.29 0.00 -2.03 0.00 0.00 175.02 174.99 1k83 n ALA 1434N 2.59 1.35 -0.21 3.16 0.00 -1.26 -4.82 120.51 121.33 1k83 n ALA 1434Ca -0.09 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1k83 n ALA 1434Cb 0.51 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1k83 n ALA 1434CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1k83 n PRO 1435N 0.31 0.44 -4.29 0.00 -0.04 -1.25 -4.13 135.00 126.03 1k83 n PRO 1435Ca 0.05 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.25 1k83 n PRO 1435Cb 0.38 -1.28 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 1k83 n PRO 1435CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1k83 s ILE 1436N 1.11 3.17 0.00 0.52 -4.36 -1.24 -4.12 121.20 116.28 1k83 s ILE 1436Ca 0.00 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 1k83 s ILE 1436Cb 0.00 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 41.14 1k83 s ILE 1436CO 0.00 -0.11 0.00 0.61 0.24 0.00 0.00 174.94 175.68 1k83 n GLY 1437N 0.03 1.52 0.10 6.27 0.00 -0.70 0.12 105.19 112.53 1k83 n GLY 1437Ca -0.11 0.43 0.06 0.00 0.00 0.00 0.00 46.02 46.41 1k83 n GLY 1437CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1k83 n THR 1438N 0.00 1.23 -1.43 2.61 5.66 -1.26 -1.49 114.28 119.61 1k83 n THR 1438Ca 0.00 0.65 0.05 0.00 -3.05 0.00 0.00 64.05 61.70 1k83 n THR 1438Cb 0.00 -1.65 0.20 0.00 -1.55 0.00 0.00 70.33 67.32 1k83 n THR 1438CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1k83 n GLY 1439N -1.35 4.98 1.64 1.09 0.00 0.33 -4.68 105.19 107.20 1k83 n GLY 1439Ca -0.01 -1.24 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 1k83 n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k83 n ALA 1440N -1.15 4.05 -3.70 4.61 0.00 -0.55 -3.70 120.51 120.06 1k83 n ALA 1440Ca 0.22 -1.63 -0.04 0.00 0.00 0.00 0.00 53.44 51.99 1k83 n ALA 1440Cb 0.77 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 1k83 n ALA 1440CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1k83 s PHE 1441N -2.18 -0.16 0.21 0.00 -0.12 -1.26 -5.00 117.98 109.47 1k83 s PHE 1441Ca 0.37 -0.10 0.09 0.00 -0.05 0.00 0.00 56.93 57.24 1k83 s PHE 1441Cb 0.30 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 43.26 1k83 s PHE 1441CO 0.09 -0.74 -0.07 -0.51 -0.05 0.00 0.00 175.22 173.94 1k83 s ASP 1442N -2.87 4.35 -0.01 1.98 1.01 -1.26 -5.11 116.67 114.75 1k83 s ASP 1442Ca 0.11 -0.60 0.04 0.00 0.71 0.00 0.00 52.55 52.81 1k83 s ASP 1442Cb -0.01 -0.76 -0.03 0.00 1.01 0.00 0.00 42.92 43.13 1k83 s ASP 1442CO -0.00 0.07 -0.13 -0.69 0.21 0.00 0.00 175.17 174.63 1k83 s VAL 1443N -1.92 3.20 0.12 -1.27 1.01 -1.26 -5.13 120.40 115.15 1k83 s VAL 1443Ca 0.27 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1k83 s VAL 1443Cb -0.08 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 1k83 s VAL 1443CO 0.17 0.48 0.12 -0.04 0.00 0.00 0.00 175.10 175.83 1k83 s MET 1444N -1.09 0.91 0.25 2.72 -1.94 -1.26 -5.14 119.30 113.74 1k83 s MET 1444Ca 0.14 -1.24 -0.30 0.00 -1.71 0.00 0.00 55.69 52.58 1k83 s MET 1444Cb -0.11 0.29 -0.09 0.00 2.01 0.00 0.00 34.83 36.93 1k83 s MET 1444CO 0.04 -0.28 1.01 0.42 -0.01 0.00 0.00 175.02 176.20 1k83 s ILE 1445N -3.97 3.86 -0.25 2.53 1.01 -1.26 -5.03 121.20 118.10 1k83 s ILE 1445Ca 0.15 1.85 -0.08 0.00 0.00 0.00 0.00 60.65 62.57 1k83 s ILE 1445Cb 0.06 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1k83 s ILE 1445CO -0.03 0.43 0.10 -0.62 0.00 0.00 0.00 174.94 174.82 1k83 s ASP 1446N -0.96 5.46 -1.06 3.58 2.15 -1.26 -5.01 116.67 119.56 1k83 s ASP 1446Ca 0.43 -0.11 -0.05 0.00 0.43 0.00 0.00 52.55 53.25 1k83 s ASP 1446Cb -0.28 -1.99 0.29 0.00 -0.30 0.00 0.00 42.92 40.64 1k83 s ASP 1446CO 0.35 -0.01 1.28 1.21 -0.17 0.00 0.00 175.17 177.83 1k83 n GLU 1447N 4.80 3.96 0.04 4.34 4.07 -1.26 -4.26 120.64 132.33 1k83 n GLU 1447Ca -0.16 -4.53 0.00 0.00 -0.06 0.00 0.00 57.16 52.42 1k83 n GLU 1447Cb 0.52 -2.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.39 1k83 n GLU 1447CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1k83 n GLU 1448N 1.79 0.00 -1.66 5.31 1.02 -1.26 -5.10 120.64 120.74 1k83 n GLU 1448Ca 0.25 0.00 -0.63 0.00 -0.02 0.00 0.00 57.16 56.76 1k83 n GLU 1448Cb 0.36 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.69 1k83 n GLU 1448CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1k83 n SER 1449N -2.77 1.03 -0.56 1.62 3.41 -1.26 -5.36 113.62 109.72 1k83 n SER 1449Ca 0.00 1.16 0.14 0.00 -0.26 0.00 0.00 58.87 59.91 1k83 n SER 1449Cb 0.00 -0.95 0.45 0.00 -0.26 0.00 0.00 64.21 63.45 1k83 n SER 1449CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06