#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e6c s PHE 10 N 0.00 -1.39 -0.85 -0.67 5.36 -1.26 -5.08 117.98 114.09 3e6c s PHE 10 Ca 0.00 1.87 0.01 0.00 -0.96 0.00 0.00 56.93 57.85 3e6c s PHE 10 Cb 0.00 0.63 0.28 0.00 -0.34 0.00 0.00 43.02 43.59 3e6c s PHE 10 CO 0.00 -0.73 1.08 0.00 -1.46 0.00 0.00 175.22 174.11 3e6c s GLY 12 N -2.11 1.43 -0.23 0.00 0.00 -1.26 -4.36 107.32 100.78 3e6c s GLY 12 Ca 0.36 -1.48 -0.12 0.00 0.00 0.00 0.00 44.72 43.48 3e6c s GLY 12 CO 0.04 -1.52 0.56 0.00 0.00 0.00 0.00 173.10 172.18 3e6c s ALA 13 N -1.85 -1.51 0.02 3.20 0.00 -1.26 -4.80 121.76 115.56 3e6c s ALA 13 Ca 0.15 2.00 0.05 0.00 0.00 0.00 0.00 51.96 54.15 3e6c s ALA 13 Cb -0.07 -1.26 -0.24 0.00 0.00 0.00 0.00 23.12 21.55 3e6c s ALA 13 CO 0.07 -0.42 0.91 0.82 0.00 0.00 0.00 175.76 177.14 3e6c h ILE 14 N 5.40 1.22 -3.90 0.00 2.04 -1.98 -3.46 117.51 116.84 3e6c h ILE 14 Ca -0.30 -2.95 -0.41 0.00 1.00 0.00 0.00 64.86 62.21 3e6c h ILE 14 Cb 1.19 2.68 -0.21 0.00 -0.74 0.00 0.00 36.82 39.74 3e6c h ILE 14 CO 0.20 0.77 -0.77 0.27 0.00 0.00 0.00 178.15 178.62 3e6c s ILE 15 N -2.64 1.12 -1.40 -0.67 -4.36 -1.26 -5.05 121.20 106.94 3e6c s ILE 15 Ca -0.05 -1.36 -0.11 0.00 -0.26 0.00 0.00 60.65 58.87 3e6c s ILE 15 Cb 0.08 -1.12 0.08 0.00 1.25 0.00 0.00 42.46 42.75 3e6c s ILE 15 CO 0.83 -0.26 2.22 -0.81 0.24 0.00 0.00 174.94 177.16 3e6c n PRO 16 N 1.17 3.48 -3.74 0.37 -0.04 -1.26 -4.80 135.00 130.18 3e6c n PRO 16 Ca -0.20 -3.00 -0.13 0.00 -0.04 0.00 0.00 63.50 60.12 3e6c n PRO 16 Cb 0.55 -3.00 -0.14 0.00 -0.04 0.00 0.00 33.50 30.87 3e6c n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3e6c s ASP 17 N 1.81 -0.19 -1.28 3.54 2.15 -1.25 -0.68 116.67 120.76 3e6c s ASP 17 Ca 0.48 0.41 -0.00 0.00 0.43 0.00 0.00 52.55 53.87 3e6c s ASP 17 Cb 0.13 0.31 -0.00 0.00 -0.30 0.00 0.00 42.92 43.06 3e6c s ASP 17 CO -0.05 -0.15 0.75 0.59 -0.17 0.00 0.00 175.17 176.14 3e6c n ASN 18 N 4.14 -1.43 -4.77 -0.34 3.02 -0.65 -4.90 115.26 110.32 3e6c n ASN 18 Ca -0.25 -0.79 -0.41 0.00 -0.03 0.00 0.00 54.58 53.10 3e6c n ASN 18 Cb 0.53 -4.23 -0.01 0.00 -0.61 0.00 0.00 39.78 35.46 3e6c n ASN 18 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3e6c s PHE 19 N -3.62 2.79 0.00 3.10 2.99 -1.26 -4.21 117.98 117.78 3e6c s PHE 19 Ca 0.02 1.30 0.00 0.00 0.00 0.00 0.00 56.93 58.25 3e6c s PHE 19 Cb -0.00 -3.84 0.00 0.00 0.00 0.00 0.00 43.02 39.17 3e6c s PHE 19 CO 0.80 -2.43 0.00 0.34 -0.00 0.00 0.00 175.22 173.93 3e6c n PHE 20 N 0.54 0.00 -1.85 0.36 7.35 -1.26 -4.66 117.46 117.93 3e6c n PHE 20 Ca 0.01 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.32 3e6c n PHE 20 Cb 0.41 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.28 3e6c n PHE 20 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3e6c s PRO 21 N -1.04 3.08 -0.53 -7.13 0.02 -1.26 -4.69 135.00 123.46 3e6c s PRO 21 Ca 0.00 2.11 0.04 0.00 0.02 0.00 0.00 61.00 63.17 3e6c s PRO 21 Cb 0.00 -2.16 0.14 0.00 0.02 0.00 0.00 34.50 32.50 3e6c s PRO 21 CO 0.00 -1.20 0.31 0.42 -0.33 0.00 0.00 177.00 176.20 3e6c s ILE 22 N -1.37 2.15 0.46 2.83 1.01 -0.08 -4.94 121.20 121.26 3e6c s ILE 22 Ca 0.73 -3.24 0.13 0.00 0.00 0.00 0.00 60.65 58.27 3e6c s ILE 22 Cb -0.38 -2.47 0.23 0.00 0.01 0.00 0.00 42.46 39.85 3e6c s ILE 22 CO 0.43 -0.90 2.06 -0.08 0.00 0.00 0.00 174.94 176.46 3e6c h GLU 23 N 6.29 0.13 0.00 2.79 4.22 -1.94 -2.76 114.58 123.30 3e6c h GLU 23 Ca 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3e6c h GLU 23 Cb 0.87 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3e6c h GLU 23 CO 0.61 0.16 0.00 0.87 -2.18 0.00 0.00 179.01 178.47 3e6c h LYS 24 N 0.13 0.00 0.00 1.92 1.57 -1.97 -2.62 116.57 115.60 3e6c h LYS 24 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3e6c h LYS 24 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3e6c h LYS 24 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3e6c n LEU 25 N -2.48 0.37 0.25 2.94 4.77 -1.04 -2.06 117.00 119.74 3e6c n LEU 25 Ca 0.01 0.58 0.16 0.00 -0.03 0.00 0.00 56.01 56.74 3e6c n LEU 25 Cb 0.23 -0.53 0.70 0.00 -2.33 0.00 0.00 43.42 41.49 3e6c n LEU 25 CO 0.21 -0.38 0.98 0.08 -1.33 0.00 0.00 177.39 176.94 3e6c h ARG 26 N 0.00 0.00 0.00 3.23 0.11 -1.66 -2.49 114.38 113.58 3e6c h ARG 26 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3e6c h ARG 26 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 3e6c h ARG 26 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3e6c n ASN 27 N -2.85 0.00 -0.12 0.08 3.02 -0.87 -3.78 115.26 110.73 3e6c n ASN 27 Ca 0.00 0.23 0.03 0.00 -0.03 0.00 0.00 54.58 54.82 3e6c n ASN 27 Cb 0.25 -0.38 0.05 0.00 -0.61 0.00 0.00 39.78 39.09 3e6c n ASN 27 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3e6c n TYR 28 N -1.38 0.00 0.27 3.10 4.02 -0.94 -4.78 117.16 117.45 3e6c n TYR 28 Ca 0.06 -0.47 0.15 0.00 -0.01 0.00 0.00 57.90 57.63 3e6c n TYR 28 Cb 0.16 -0.07 0.70 0.00 -0.02 0.00 0.00 39.34 40.11 3e6c n TYR 28 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 3e6c h THR 29 N 1.95 0.30 0.00 -0.72 1.35 -1.65 -2.12 112.91 112.02 3e6c h THR 29 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3e6c h THR 29 Cb 0.93 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3e6c h THR 29 CO 0.00 0.09 0.00 0.06 -0.25 0.00 0.00 175.52 175.42 3e6c h GLN 30 N 0.00 0.00 0.00 4.72 -0.00 -1.89 -0.87 115.11 117.08 3e6c h GLN 30 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3e6c h GLN 30 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 3e6c h GLN 30 CO 0.01 0.00 -0.41 -1.33 -0.00 0.00 0.00 178.83 177.10 3e6c n MET 31 N -2.41 0.09 -0.76 0.06 2.81 -0.80 -4.92 117.12 111.18 3e6c n MET 31 Ca -0.01 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 3e6c n MET 31 Cb 0.08 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.03 3e6c n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3e6c n GLY 32 N 1.45 5.34 3.23 3.03 0.00 -0.33 -4.78 105.19 113.12 3e6c n GLY 32 Ca 0.05 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 3e6c n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e6c s LEU 33 N 0.00 2.42 0.25 0.99 1.43 -0.29 -4.90 118.68 118.57 3e6c s LEU 33 Ca 0.00 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 3e6c s LEU 33 Cb 0.00 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 3e6c s LEU 33 CO 0.00 0.05 0.98 -0.63 0.23 0.00 0.00 176.35 176.98 3e6c s ILE 34 N 1.01 3.92 -0.24 -0.59 -1.09 -1.26 -1.38 121.20 121.56 3e6c s ILE 34 Ca -0.02 1.92 -0.03 0.00 -2.23 0.00 0.00 60.65 60.30 3e6c s ILE 34 Cb -0.15 -4.22 0.13 0.00 -1.58 0.00 0.00 42.46 36.65 3e6c s ILE 34 CO -0.04 0.45 0.37 -0.60 -1.23 0.00 0.00 174.94 173.89 3e6c s ARG 35 N -1.29 0.34 -0.02 2.79 3.00 0.39 -4.97 118.95 119.19 3e6c s ARG 35 Ca 0.42 0.48 -0.29 0.00 -1.00 0.00 0.00 55.73 55.34 3e6c s ARG 35 Cb -0.27 -0.52 -0.03 0.00 0.00 0.00 0.00 34.95 34.12 3e6c s ARG 35 CO 0.34 -0.67 0.96 -0.51 0.00 0.00 0.00 175.30 175.41 3e6c s ASP 36 N 2.53 7.32 0.13 -2.12 1.01 -1.26 -0.71 116.67 123.56 3e6c s ASP 36 Ca 0.12 1.60 0.10 0.00 0.71 0.00 0.00 52.55 55.08 3e6c s ASP 36 Cb -0.15 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 3e6c s ASP 36 CO -0.17 -0.27 -0.24 -0.36 0.21 0.00 0.00 175.17 174.34 3e6c s PHE 37 N 1.11 2.38 0.52 4.23 0.40 0.24 -5.02 117.98 121.84 3e6c s PHE 37 Ca 0.50 -0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 56.35 3e6c s PHE 37 Cb -0.20 -1.28 -0.07 0.00 0.51 0.00 0.00 43.02 41.98 3e6c s PHE 37 CO 0.26 0.35 0.96 0.00 0.70 0.00 0.00 175.22 177.49 3e6c s ALA 38 N -1.09 3.12 0.14 5.36 0.00 -1.26 -1.45 121.76 126.59 3e6c s ALA 38 Ca 0.15 0.05 -0.31 0.00 0.00 0.00 0.00 51.96 51.84 3e6c s ALA 38 Cb -0.10 -3.04 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 3e6c s ALA 38 CO 0.07 -0.31 1.60 0.21 0.00 0.00 0.00 175.76 177.33 3e6c s LYS 39 N -4.32 4.21 0.00 0.00 2.20 -1.26 -1.48 119.74 119.09 3e6c s LYS 39 Ca 0.57 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 3e6c s LYS 39 Cb -0.10 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 3e6c s LYS 39 CO 0.37 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 3e6c n GLY 40 N 3.83 1.31 3.83 5.54 0.00 0.94 -4.99 105.19 115.65 3e6c n GLY 40 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3e6c n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3e6c s SER 41 N -1.66 6.61 -0.24 1.61 0.01 -0.55 -4.77 113.70 114.71 3e6c s SER 41 Ca 0.00 1.63 -0.28 0.00 1.31 0.00 0.00 55.95 58.61 3e6c s SER 41 Cb 0.00 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.72 3e6c s SER 41 CO 0.00 -0.60 1.02 0.00 0.41 0.00 0.00 173.24 174.07 3e6c s ALA 42 N -2.48 3.67 0.08 1.44 0.00 -1.26 -1.11 121.76 122.10 3e6c s ALA 42 Ca 0.60 0.13 -0.14 0.00 0.00 0.00 0.00 51.96 52.55 3e6c s ALA 42 Cb -0.11 -3.53 -0.22 0.00 0.00 0.00 0.00 23.12 19.27 3e6c s ALA 42 CO 0.27 -1.06 1.21 0.28 0.00 0.00 0.00 175.76 176.46 3e6c h VAL 43 N 5.46 1.29 -3.20 0.00 2.07 -1.19 -3.43 116.25 117.25 3e6c h VAL 43 Ca -0.20 -2.17 -0.53 0.00 0.82 0.00 0.00 66.70 64.63 3e6c h VAL 43 Cb 1.06 2.31 -0.37 0.00 -1.52 0.00 0.00 31.29 32.78 3e6c h VAL 43 CO 0.97 0.67 -0.80 -0.63 0.02 0.00 0.00 177.57 177.80 3e6c s ILE 44 N -3.41 1.04 0.41 4.57 1.01 -1.01 -4.97 121.20 118.84 3e6c s ILE 44 Ca -0.10 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 3e6c s ILE 44 Cb 0.07 -1.04 -0.11 0.00 0.01 0.00 0.00 42.46 41.39 3e6c s ILE 44 CO 0.91 0.37 0.92 -0.04 0.00 0.00 0.00 174.94 177.10 3e6c s MET 45 N 1.60 4.22 0.15 2.79 -1.94 -1.26 -1.82 119.30 123.04 3e6c s MET 45 Ca 0.03 1.07 -0.34 0.00 -1.71 0.00 0.00 55.69 54.74 3e6c s MET 45 Cb -0.13 -2.25 -0.15 0.00 2.01 0.00 0.00 34.83 34.32 3e6c s MET 45 CO -0.07 0.01 1.44 -2.30 -0.01 0.00 0.00 175.02 174.09 3e6c n PRO 46 N -0.54 1.71 -0.59 2.03 -0.02 -1.25 -0.14 135.00 136.20 3e6c n PRO 46 Ca 0.06 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3e6c n PRO 46 Cb 0.54 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3e6c n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e6c n GLY 47 N 2.82 1.30 3.73 -1.23 0.00 -1.26 -5.00 105.19 105.54 3e6c n GLY 47 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3e6c n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3e6c s GLU 48 N -0.15 4.63 -0.25 1.61 2.12 0.80 -5.00 118.70 122.45 3e6c s GLU 48 Ca 0.00 1.56 -0.20 0.00 0.36 0.00 0.00 54.97 56.69 3e6c s GLU 48 Cb 0.00 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 3e6c s GLU 48 CO 0.00 0.11 0.61 -2.00 -0.54 0.00 0.00 175.26 173.44 3e6c s GLU 49 N 0.04 4.11 -0.14 4.30 2.12 -1.26 -4.87 118.70 123.00 3e6c s GLU 49 Ca 0.49 0.51 -0.03 0.00 0.36 0.00 0.00 54.97 56.31 3e6c s GLU 49 Cb -0.26 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 3e6c s GLU 49 CO 0.31 -0.39 -0.04 0.42 -0.54 0.00 0.00 175.26 175.02 3e6c s ILE 50 N 2.43 3.89 -0.38 -3.70 -1.09 -1.26 -5.02 121.20 116.07 3e6c s ILE 50 Ca 0.25 -0.37 0.12 0.00 -2.23 0.00 0.00 60.65 58.43 3e6c s ILE 50 Cb -0.16 -2.68 0.38 0.00 -1.58 0.00 0.00 42.46 38.42 3e6c s ILE 50 CO 0.09 0.52 0.82 0.35 -1.23 0.00 0.00 174.94 175.49 3e6c n THR 51 N 3.22 0.56 -3.73 2.92 -2.24 -1.23 -4.21 114.28 109.57 3e6c n THR 51 Ca -0.18 -4.36 -0.14 0.00 -2.27 0.00 0.00 64.05 57.11 3e6c n THR 51 Cb 0.53 -0.21 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 3e6c n THR 51 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3e6c s SER 52 N -2.75 -0.24 0.21 3.42 0.01 -1.06 -4.59 113.70 108.69 3e6c s SER 52 Ca 0.38 0.13 -0.23 0.00 1.31 0.00 0.00 55.95 57.54 3e6c s SER 52 Cb 0.37 0.35 -0.08 0.00 0.21 0.00 0.00 66.02 66.86 3e6c s SER 52 CO -0.06 -0.49 0.78 -0.04 0.41 0.00 0.00 173.24 173.84 3e6c s MET 53 N -1.47 4.45 -0.26 12.44 1.00 0.80 -3.79 119.30 132.47 3e6c s MET 53 Ca -0.12 1.07 0.02 0.00 0.00 0.00 0.00 55.69 56.66 3e6c s MET 53 Cb -0.04 -3.04 0.06 0.00 0.00 0.00 0.00 34.83 31.81 3e6c s MET 53 CO 0.04 0.46 -0.08 0.42 0.00 0.00 0.00 175.02 175.85 3e6c s ILE 54 N -1.37 2.00 -0.05 2.53 1.01 -0.59 0.18 121.20 124.90 3e6c s ILE 54 Ca 0.41 -1.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.32 3e6c s ILE 54 Cb -0.20 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 3e6c s ILE 54 CO 0.24 -0.09 0.46 0.12 0.00 0.00 0.00 174.94 175.67 3e6c s PHE 55 N 1.17 3.62 -0.47 3.97 5.36 0.52 -1.36 117.98 130.79 3e6c s PHE 55 Ca -0.07 0.96 -0.15 0.00 -0.96 0.00 0.00 56.93 56.72 3e6c s PHE 55 Cb -0.20 -2.44 0.08 0.00 -0.34 0.00 0.00 43.02 40.12 3e6c s PHE 55 CO -0.06 0.39 0.38 -1.17 -1.46 0.00 0.00 175.22 173.30 3e6c s LEU 56 N -0.20 5.58 0.07 6.12 0.20 0.04 -1.02 118.68 129.48 3e6c s LEU 56 Ca 0.25 -1.37 -0.15 0.00 0.69 0.00 0.00 54.13 53.55 3e6c s LEU 56 Cb -0.16 -2.15 -0.20 0.00 -0.43 0.00 0.00 46.19 43.25 3e6c s LEU 56 CO 0.12 -0.64 1.23 0.58 -0.29 0.00 0.00 176.35 177.35 3e6c h VAL 57 N 5.81 1.30 -2.09 1.68 2.07 -0.77 0.97 116.25 125.23 3e6c h VAL 57 Ca -0.28 -2.07 -0.05 0.00 0.82 0.00 0.00 66.70 65.13 3e6c h VAL 57 Cb 1.11 2.22 -0.21 0.00 -1.52 0.00 0.00 31.29 32.89 3e6c h VAL 57 CO 0.87 0.64 0.08 -0.70 0.02 0.00 0.00 177.57 178.48 3e6c s GLU 58 N -3.52 0.79 0.00 1.57 2.56 -1.04 -4.38 118.70 114.68 3e6c s GLU 58 Ca -0.11 0.96 0.00 0.00 0.00 0.00 0.00 54.97 55.82 3e6c s GLU 58 Cb 0.07 0.38 0.00 0.00 2.00 0.00 0.00 34.13 36.58 3e6c s GLU 58 CO 0.89 -0.10 0.00 0.41 -0.56 0.00 0.00 175.26 175.91 3e6c n GLY 59 N 2.77 0.22 3.60 -1.50 0.00 -1.26 -0.45 105.19 108.57 3e6c n GLY 59 Ca -0.14 -2.01 -0.02 0.00 0.00 0.00 0.00 46.02 43.84 3e6c n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3e6c s LYS 60 N 0.00 0.53 -0.04 1.61 2.20 -1.26 -3.81 119.74 118.97 3e6c s LYS 60 Ca 0.00 1.13 0.06 0.00 -0.36 0.00 0.00 55.97 56.80 3e6c s LYS 60 Cb 0.00 0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 36.78 3e6c s LYS 60 CO 0.00 -0.15 -0.21 0.42 -0.36 0.00 0.00 175.35 175.05 3e6c s ILE 61 N 2.24 2.47 -0.21 5.43 1.01 0.33 -0.17 121.20 132.31 3e6c s ILE 61 Ca -0.07 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.57 3e6c s ILE 61 Cb -0.08 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 3e6c s ILE 61 CO -0.18 0.58 0.07 -0.75 0.00 0.00 0.00 174.94 174.66 3e6c s LYS 62 N -0.56 3.85 -0.17 2.79 2.20 -0.22 -1.30 119.74 126.32 3e6c s LYS 62 Ca 0.08 -0.40 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 3e6c s LYS 62 Cb -0.11 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3e6c s LYS 62 CO 0.00 0.07 -0.18 -1.17 -0.36 0.00 0.00 175.35 173.71 3e6c s LEU 63 N 0.92 2.25 0.17 5.43 0.20 -0.23 -1.50 118.68 125.92 3e6c s LEU 63 Ca 0.04 -0.59 0.08 0.00 0.69 0.00 0.00 54.13 54.36 3e6c s LEU 63 Cb -0.14 -1.51 -0.04 0.00 -0.43 0.00 0.00 46.19 44.07 3e6c s LEU 63 CO 0.03 0.03 -0.18 -1.81 -0.29 0.00 0.00 176.35 174.13 3e6c s ASP 64 N 1.11 2.67 0.03 3.68 1.01 -0.15 -0.25 116.67 124.76 3e6c s ASP 64 Ca 0.00 -0.87 0.01 0.00 0.71 0.00 0.00 52.55 52.40 3e6c s ASP 64 Cb -0.14 -0.16 -0.04 0.00 1.01 0.00 0.00 42.92 43.59 3e6c s ASP 64 CO -0.07 -0.04 0.08 -0.51 0.21 0.00 0.00 175.17 174.83 3e6c s ILE 65 N -2.10 4.62 -0.14 0.77 2.07 -0.18 -1.48 121.20 124.77 3e6c s ILE 65 Ca 0.16 -0.56 0.03 0.00 -1.41 0.00 0.00 60.65 58.87 3e6c s ILE 65 Cb -0.05 -3.15 0.01 0.00 0.13 0.00 0.00 42.46 39.39 3e6c s ILE 65 CO 0.07 0.26 -0.22 -0.63 -1.91 0.00 0.00 174.94 172.51 3e6c s ILE 66 N -1.26 2.04 0.76 2.00 1.01 0.20 -1.49 121.20 124.46 3e6c s ILE 66 Ca 0.25 -0.97 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 3e6c s ILE 66 Cb -0.12 -1.80 0.05 0.00 0.01 0.00 0.00 42.46 40.60 3e6c s ILE 66 CO 0.17 0.55 1.13 -0.36 0.00 0.00 0.00 174.94 176.43 3e6c s PHE 67 N 0.80 3.09 0.26 3.97 0.40 0.15 -4.30 117.98 122.35 3e6c s PHE 67 Ca -0.07 0.93 -0.03 0.00 -0.60 0.00 0.00 56.93 57.16 3e6c s PHE 67 Cb -0.16 -3.25 0.42 0.00 0.51 0.00 0.00 43.02 40.54 3e6c s PHE 67 CO -0.02 -1.53 1.85 0.93 0.70 0.00 0.00 175.22 177.16 3e6c h GLU 68 N -0.89 0.99 0.00 0.44 3.07 -2.00 0.11 114.58 116.29 3e6c h GLU 68 Ca -0.46 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 3e6c h GLU 68 Cb 1.29 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3e6c h GLU 68 CO 0.64 0.65 0.00 -0.40 -1.40 0.00 0.00 179.01 178.50 3e6c n ASP 69 N -4.60 0.00 0.00 1.42 5.68 -1.26 -4.87 116.55 112.92 3e6c n ASP 69 Ca 0.15 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 3e6c n ASP 69 Cb 0.24 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3e6c n ASP 69 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3e6c n GLY 70 N 0.42 1.12 3.77 6.12 0.00 0.39 -5.03 105.19 111.99 3e6c n GLY 70 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3e6c n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3e6c n SER 71 N 0.00 3.87 -4.12 1.61 7.64 -1.26 -4.74 113.62 116.63 3e6c n SER 71 Ca 0.00 1.22 -0.27 0.00 1.01 0.00 0.00 58.87 60.83 3e6c n SER 71 Cb 0.00 -1.63 -0.16 0.00 -1.01 0.00 0.00 64.21 61.41 3e6c n SER 71 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3e6c s GLU 72 N -1.84 1.93 0.05 1.43 2.12 -1.26 -0.67 118.70 120.45 3e6c s GLU 72 Ca 0.55 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 55.31 3e6c s GLU 72 Cb -0.47 -1.62 -0.02 0.00 0.26 0.00 0.00 34.13 32.27 3e6c s GLU 72 CO 0.61 0.19 -0.11 0.15 -0.54 0.00 0.00 175.26 175.56 3e6c s LYS 73 N 0.22 0.68 0.27 4.30 -0.14 -0.56 -5.00 119.74 119.52 3e6c s LYS 73 Ca -0.08 -0.77 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 3e6c s LYS 73 Cb -0.13 -0.59 -0.10 0.00 -1.68 0.00 0.00 37.83 35.33 3e6c s LYS 73 CO 0.03 0.13 1.44 -1.17 -0.76 0.00 0.00 175.35 175.02 3e6c s LEU 74 N -1.42 4.38 -0.17 3.17 2.96 -1.26 -1.01 118.68 125.33 3e6c s LEU 74 Ca -0.04 2.72 -0.16 0.00 -0.22 0.00 0.00 54.13 56.42 3e6c s LEU 74 Cb -0.09 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 3e6c s LEU 74 CO 0.01 -0.71 -0.31 0.18 -1.32 0.00 0.00 176.35 174.21 3e6c n LEU 75 N 1.98 1.91 -3.61 -0.68 4.77 0.66 -4.82 117.00 117.21 3e6c n LEU 75 Ca 0.06 0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 56.34 3e6c n LEU 75 Cb 0.40 -0.77 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 3e6c n LEU 75 CO 0.61 -0.30 0.42 -0.72 -1.33 0.00 0.00 177.39 176.07 3e6c s TYR 76 N -2.75 -0.38 0.01 -1.77 1.13 -0.92 -4.86 117.35 107.82 3e6c s TYR 76 Ca -0.26 0.06 -0.02 0.00 -1.41 0.00 0.00 57.07 55.44 3e6c s TYR 76 Cb 0.04 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.47 3e6c s TYR 76 CO 0.38 -1.01 0.17 0.71 -2.51 0.00 0.00 175.55 173.30 3e6c s TYR 77 N -3.83 3.50 -0.06 -3.49 2.02 0.14 -1.06 117.35 114.57 3e6c s TYR 77 Ca 0.05 0.31 0.03 0.00 -0.37 0.00 0.00 57.07 57.10 3e6c s TYR 77 Cb -0.03 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 3e6c s TYR 77 CO -0.04 0.62 -0.16 0.00 -1.57 0.00 0.00 175.55 174.39 3e6c s ALA 78 N -1.35 1.53 0.00 3.71 0.00 -0.42 -1.63 121.76 123.61 3e6c s ALA 78 Ca 0.28 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3e6c s ALA 78 Cb -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.41 3e6c s ALA 78 CO 0.20 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.59 3e6c n GLY 79 N 3.47 6.37 3.75 0.00 0.00 -1.26 -0.51 105.19 117.01 3e6c n GLY 79 Ca -0.20 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 3e6c n GLY 79 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3e6c s GLY 80 N -0.38 2.19 0.00 -0.02 0.00 -1.25 -1.90 107.32 105.96 3e6c s GLY 80 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.18 3e6c s GLY 80 CO 0.00 2.44 0.00 0.70 0.00 0.00 0.00 173.10 176.24 3e6c n ASN 81 N 2.28 -2.52 -4.80 1.64 5.03 0.33 -4.91 115.26 112.31 3e6c n ASN 81 Ca 0.08 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.21 3e6c n ASN 81 Cb 0.39 -1.15 0.04 0.00 -1.02 0.00 0.00 39.78 38.04 3e6c n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3e6c s SER 82 N -2.25 5.37 -0.13 6.41 0.01 -0.80 -0.90 113.70 121.42 3e6c s SER 82 Ca 0.00 1.75 -0.00 0.00 1.31 0.00 0.00 55.95 59.01 3e6c s SER 82 Cb 0.00 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.74 3e6c s SER 82 CO 0.00 -1.45 -0.09 -0.22 0.41 0.00 0.00 173.24 171.90 3e6c s LEU 83 N -5.17 1.35 -0.48 2.44 2.96 -1.26 -0.78 118.68 117.73 3e6c s LEU 83 Ca 0.61 -0.39 -0.26 0.00 -0.22 0.00 0.00 54.13 53.87 3e6c s LEU 83 Cb -0.16 -0.92 0.03 0.00 0.50 0.00 0.00 46.19 45.64 3e6c s LEU 83 CO 0.48 -0.11 0.98 -0.63 -1.32 0.00 0.00 176.35 175.74 3e6c s ILE 84 N 1.65 4.39 -0.33 6.68 1.01 -0.47 -4.98 121.20 129.15 3e6c s ILE 84 Ca 0.04 0.78 0.01 0.00 0.00 0.00 0.00 60.65 61.48 3e6c s ILE 84 Cb -0.13 -4.49 0.35 0.00 0.01 0.00 0.00 42.46 38.20 3e6c s ILE 84 CO -0.09 -0.92 1.77 0.61 0.00 0.00 0.00 174.94 176.31 3e6c n GLY 85 N 4.95 3.98 2.25 6.18 0.00 -1.26 -1.55 105.19 119.75 3e6c n GLY 85 Ca 0.07 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 3e6c n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3e6c n LYS 86 N -0.26 3.08 0.20 1.61 5.02 -1.26 -4.66 118.16 121.91 3e6c n LYS 86 Ca 0.37 -1.99 0.14 0.00 -2.02 0.00 0.00 58.31 54.81 3e6c n LYS 86 Cb 0.94 -2.41 0.53 0.00 -0.02 0.00 0.00 35.03 34.06 3e6c n LYS 86 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3e6c h LEU 87 N 5.70 0.00 -8.17 -0.35 6.46 -1.82 -2.82 115.31 114.31 3e6c h LEU 87 Ca 0.55 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 58.14 3e6c h LEU 87 Cb 0.77 0.00 -0.18 0.00 -0.73 0.00 0.00 40.66 40.52 3e6c h LEU 87 CO 1.09 0.00 -0.70 -0.31 -0.62 0.00 0.00 178.44 177.90 3e6c s TYR 88 N -3.43 0.50 0.31 1.25 2.02 -1.26 -3.99 117.35 112.75 3e6c s TYR 88 Ca 0.04 -0.80 -0.29 0.00 -0.37 0.00 0.00 57.07 55.65 3e6c s TYR 88 Cb 0.09 -0.34 -0.11 0.00 -0.40 0.00 0.00 41.96 41.20 3e6c s TYR 88 CO 0.52 -0.25 1.46 -2.14 -1.57 0.00 0.00 175.55 173.56 3e6c s PRO 89 N -2.79 4.21 -0.00 -1.71 0.02 -1.26 -4.88 135.00 128.59 3e6c s PRO 89 Ca -0.02 2.42 0.03 0.00 0.02 0.00 0.00 61.00 63.45 3e6c s PRO 89 Cb -0.01 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 3e6c s PRO 89 CO -0.05 -0.45 0.12 0.25 -0.33 0.00 0.00 177.00 176.54 3e6c n THR 90 N 1.47 0.00 0.00 0.99 -2.24 -1.26 -5.01 114.28 108.22 3e6c n THR 90 Ca 0.04 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3e6c n THR 90 Cb 0.40 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3e6c n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e6c n GLY 91 N 1.47 2.26 3.87 3.38 0.00 -1.26 -5.04 105.19 109.87 3e6c n GLY 91 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3e6c n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3e6c s ASN 92 N -2.15 6.57 -0.49 1.61 0.01 -1.26 -5.05 114.94 114.18 3e6c s ASN 92 Ca 0.00 0.67 -0.25 0.00 -0.71 0.00 0.00 52.86 52.57 3e6c s ASN 92 Cb 0.00 -2.14 0.03 0.00 0.41 0.00 0.00 41.25 39.55 3e6c s ASN 92 CO 0.00 0.30 0.94 0.21 -1.51 0.00 0.00 177.10 177.05 3e6c s ASN 93 N -1.37 6.46 -0.03 -1.22 2.47 -1.26 -5.00 114.94 114.99 3e6c s ASN 93 Ca 0.24 0.00 -0.00 0.00 0.42 0.00 0.00 52.86 53.52 3e6c s ASN 93 Cb -0.14 -2.45 -0.04 0.00 -1.45 0.00 0.00 41.25 37.17 3e6c s ASN 93 CO 0.12 -1.12 0.03 -0.63 -3.72 0.00 0.00 177.10 171.79 3e6c s ILE 94 N 3.87 4.44 -0.12 -5.21 -1.09 -1.26 -0.63 121.20 121.20 3e6c s ILE 94 Ca 0.36 -0.42 -0.02 0.00 -2.23 0.00 0.00 60.65 58.34 3e6c s ILE 94 Cb -0.10 -2.97 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3e6c s ILE 94 CO 0.25 0.43 -0.00 -0.47 -1.23 0.00 0.00 174.94 173.91 3e6c s TYR 95 N -1.07 0.97 -0.14 3.97 6.04 -0.55 -3.91 117.35 122.66 3e6c s TYR 95 Ca 0.19 -0.51 0.01 0.00 0.04 0.00 0.00 57.07 56.80 3e6c s TYR 95 Cb -0.12 -0.97 0.02 0.00 -1.04 0.00 0.00 41.96 39.85 3e6c s TYR 95 CO 0.09 -0.46 -0.16 0.00 -1.54 0.00 0.00 175.55 173.48 3e6c s ALA 96 N 1.88 1.92 -0.02 3.97 0.00 -0.75 -0.98 121.76 127.77 3e6c s ALA 96 Ca 0.03 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.14 3e6c s ALA 96 Cb -0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 3e6c s ALA 96 CO -0.07 -0.22 -0.20 0.95 0.00 0.00 0.00 175.76 176.22 3e6c s THR 97 N 1.20 2.60 -0.20 0.00 -4.23 -0.56 -0.59 115.64 113.86 3e6c s THR 97 Ca -0.01 -0.97 -0.29 0.00 -1.18 0.00 0.00 61.69 59.24 3e6c s THR 97 Cb -0.14 -1.99 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 3e6c s THR 97 CO -0.07 0.53 1.39 0.00 -0.54 0.00 0.00 174.62 175.93 3e6c s ALA 98 N -0.72 3.50 -0.60 3.99 0.00 -0.27 -1.05 121.76 126.61 3e6c s ALA 98 Ca 0.11 0.42 0.25 0.00 0.00 0.00 0.00 51.96 52.74 3e6c s ALA 98 Cb -0.10 -3.72 0.49 0.00 0.00 0.00 0.00 23.12 19.79 3e6c s ALA 98 CO 0.01 -1.51 1.53 0.52 0.00 0.00 0.00 175.76 176.31 3e6c h MET 99 N 9.13 0.00 -3.92 0.00 2.86 -0.90 0.27 114.93 122.37 3e6c h MET 99 Ca -0.29 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.19 3e6c h MET 99 Cb 1.12 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.69 3e6c h MET 99 CO 0.99 0.00 -0.20 -1.83 1.06 0.00 0.00 176.91 176.93 3e6c s GLU 100 N -3.17 1.64 0.15 1.72 -1.05 -1.22 -4.75 118.70 112.01 3e6c s GLU 100 Ca 0.07 -1.48 -0.31 0.00 -0.15 0.00 0.00 54.97 53.10 3e6c s GLU 100 Cb 0.11 0.44 -0.10 0.00 -0.44 0.00 0.00 34.13 34.13 3e6c s GLU 100 CO 0.67 -0.67 1.73 -2.14 0.95 0.00 0.00 175.26 175.80 3e6c s PRO 101 N -3.67 4.15 -0.05 -4.83 0.02 -1.26 -4.23 135.00 125.13 3e6c s PRO 101 Ca 0.27 2.52 0.01 0.00 0.02 0.00 0.00 61.00 63.83 3e6c s PRO 101 Cb 0.00 -3.36 0.02 0.00 0.02 0.00 0.00 34.50 31.18 3e6c s PRO 101 CO 0.13 -0.76 -0.07 0.99 -0.33 0.00 0.00 177.00 176.96 3e6c s THR 102 N 1.98 0.70 -0.25 0.99 2.01 -0.53 -4.31 115.64 116.23 3e6c s THR 102 Ca 0.76 -0.23 -0.11 0.00 0.31 0.00 0.00 61.69 62.43 3e6c s THR 102 Cb -0.46 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 3e6c s THR 102 CO 0.34 0.26 0.16 -0.60 -0.69 0.00 0.00 174.62 174.09 3e6c s ARG 103 N 0.78 4.03 0.37 4.92 3.52 0.40 0.83 118.95 133.81 3e6c s ARG 103 Ca -0.12 -0.29 0.08 0.00 -0.13 0.00 0.00 55.73 55.27 3e6c s ARG 103 Cb -0.14 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 3e6c s ARG 103 CO 0.01 0.01 0.13 0.95 -0.81 0.00 0.00 175.30 175.59 3e6c s THR 104 N 1.21 2.64 -0.11 4.11 -4.23 0.11 -0.03 115.64 119.35 3e6c s THR 104 Ca 0.07 -1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 3e6c s THR 104 Cb -0.14 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 70.80 3e6c s THR 104 CO 0.06 -0.11 0.09 0.00 -0.54 0.00 0.00 174.62 174.11 3e6c s TRP 106 N 2.17 3.30 -0.28 0.00 0.52 -0.48 -0.36 118.94 123.82 3e6c s TRP 106 Ca 0.04 0.50 -0.01 0.00 0.02 0.00 0.00 56.10 56.65 3e6c s TRP 106 Cb -0.14 -2.55 0.05 0.00 -1.15 0.00 0.00 33.47 29.68 3e6c s TRP 106 CO -0.06 -0.13 -0.03 -0.06 0.02 0.00 0.00 176.95 176.69 3e6c s PHE 107 N 1.72 3.24 0.98 -1.98 0.40 0.13 -1.14 117.98 121.33 3e6c s PHE 107 Ca 0.17 -1.95 -0.14 0.00 -0.60 0.00 0.00 56.93 54.41 3e6c s PHE 107 Cb -0.15 -2.06 0.18 0.00 0.51 0.00 0.00 43.02 41.50 3e6c s PHE 107 CO 0.09 -0.81 1.17 -1.54 0.70 0.00 0.00 175.22 174.82 3e6c s SER 108 N 1.22 2.94 0.14 1.36 1.04 -1.26 -0.14 113.70 119.00 3e6c s SER 108 Ca -0.06 0.76 -0.17 0.00 0.48 0.00 0.00 55.95 56.96 3e6c s SER 108 Cb -0.19 -1.16 0.01 0.00 0.10 0.00 0.00 66.02 64.77 3e6c s SER 108 CO -0.02 -2.88 1.77 -0.08 0.98 0.00 0.00 173.24 173.01 3e6c h GLU 109 N -1.73 0.32 -0.70 4.02 4.81 -1.92 -0.61 114.58 118.77 3e6c h GLU 109 Ca -0.48 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 3e6c h GLU 109 Cb 1.31 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 3e6c h GLU 109 CO 0.52 0.21 0.43 0.87 -0.73 0.00 0.00 179.01 180.31 3e6c h LYS 110 N 0.33 0.80 -0.61 1.92 6.56 -1.98 -2.37 116.57 121.22 3e6c h LYS 110 Ca 0.13 -0.05 -0.09 0.00 -1.06 0.00 0.00 60.65 59.59 3e6c h LYS 110 Cb 0.04 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.50 3e6c h LYS 110 CO -0.09 0.53 0.04 1.03 -2.06 0.00 0.00 179.45 178.91 3e6c h SER 111 N 0.83 1.02 -0.89 0.86 0.87 -1.81 -2.80 113.55 111.63 3e6c h SER 111 Ca 0.29 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3e6c h SER 111 Cb 0.06 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 3e6c h SER 111 CO -0.12 1.05 0.56 -0.07 -0.53 0.00 0.00 176.83 177.72 3e6c h LEU 112 N 0.95 1.04 -0.80 2.23 3.38 -0.75 -1.90 115.31 119.46 3e6c h LEU 112 Ca 0.18 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.17 3e6c h LEU 112 Cb 0.50 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3e6c h LEU 112 CO 0.02 0.78 0.48 0.03 0.09 0.00 0.00 178.44 179.85 3e6c h ARG 113 N 1.22 0.85 -0.72 1.13 3.08 -1.25 -0.62 114.38 118.08 3e6c h ARG 113 Ca 0.32 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 3e6c h ARG 113 Cb -0.09 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.73 3e6c h ARG 113 CO -0.06 0.57 0.40 1.15 -1.07 0.00 0.00 179.97 180.96 3e6c h THR 114 N 0.88 1.21 -0.65 2.04 2.02 -1.11 -1.21 112.91 116.09 3e6c h THR 114 Ca 0.36 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 3e6c h THR 114 Cb 0.19 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3e6c h THR 114 CO -0.18 0.23 0.30 0.58 0.37 0.00 0.00 175.52 176.83 3e6c h VAL 115 N 0.98 1.23 0.00 3.16 2.07 -0.89 -2.98 116.25 119.82 3e6c h VAL 115 Ca 0.25 -0.65 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 3e6c h VAL 115 Cb 0.02 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3e6c h VAL 115 CO -0.04 0.26 -0.72 -0.26 0.02 0.00 0.00 177.57 176.83 3e6c h PHE 116 N 0.90 0.00 0.00 1.57 0.04 -0.67 0.70 116.94 119.49 3e6c h PHE 116 Ca 0.22 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.95 3e6c h PHE 116 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 3e6c h PHE 116 CO 0.00 0.72 -0.22 0.00 -0.60 0.00 0.00 178.31 178.22 3e6c h ARG 117 N 0.00 0.00 0.08 1.51 3.08 -1.16 -2.99 114.38 114.90 3e6c h ARG 117 Ca -0.01 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 3e6c h ARG 117 Cb 1.32 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.34 3e6c h ARG 117 CO 0.09 0.22 -1.80 1.15 -1.07 0.00 0.00 179.97 178.57 3e6c h THR 118 N 0.00 0.81 -2.10 2.04 2.02 -1.24 -3.45 112.91 110.98 3e6c h THR 118 Ca -0.00 -2.56 -0.35 0.00 0.77 0.00 0.00 66.41 64.27 3e6c h THR 118 Cb 0.70 2.52 -0.33 0.00 -1.74 0.00 0.00 68.15 69.31 3e6c h THR 118 CO 0.03 0.73 -0.66 -0.62 0.37 0.00 0.00 175.52 175.37 3e6c s ASP 119 N -6.67 1.56 0.46 4.18 -1.08 0.18 -5.00 116.67 110.30 3e6c s ASP 119 Ca -0.13 -1.05 0.17 0.00 -0.52 0.00 0.00 52.55 51.03 3e6c s ASP 119 Cb 0.07 0.50 1.10 0.00 -1.46 0.00 0.00 42.92 43.13 3e6c s ASP 119 CO 0.81 -0.35 2.00 -0.08 0.52 0.00 0.00 175.17 178.07 3e6c h GLU 120 N 7.87 0.00 -0.07 4.34 4.81 -1.78 -2.53 114.58 127.21 3e6c h GLU 120 Ca -0.07 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3e6c h GLU 120 Cb 1.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3e6c h GLU 120 CO 0.29 0.18 0.05 -0.44 -0.73 0.00 0.00 179.01 178.36 3e6c h ASP 121 N 0.00 0.00 -0.01 1.04 3.32 -1.94 -2.23 116.42 116.60 3e6c h ASP 121 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3e6c h ASP 121 Cb 0.34 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3e6c h ASP 121 CO 0.02 0.00 0.01 0.24 -1.72 0.00 0.00 179.24 177.79 3e6c h MET 122 N 0.00 0.00 -0.47 3.56 2.86 -1.82 -1.78 114.93 117.28 3e6c h MET 122 Ca 0.03 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 3e6c h MET 122 Cb 0.13 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.70 3e6c h MET 122 CO -0.00 0.00 -0.17 0.82 1.06 0.00 0.00 176.91 178.62 3e6c h ILE 123 N 0.00 0.43 0.00 -1.22 2.04 -1.58 -2.01 117.51 115.17 3e6c h ILE 123 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.70 3e6c h ILE 123 Cb 0.01 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3e6c h ILE 123 CO -0.00 0.00 -0.76 -0.26 0.00 0.00 0.00 178.15 177.13 3e6c h PHE 124 N -0.07 0.00 -0.71 1.37 -1.00 -1.49 -2.15 116.94 112.90 3e6c h PHE 124 Ca 0.23 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.01 3e6c h PHE 124 Cb 0.41 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.94 3e6c h PHE 124 CO -0.45 0.76 0.47 0.93 -1.61 0.00 0.00 178.31 178.42 3e6c h GLU 125 N 0.00 0.93 -0.35 1.51 4.39 -1.30 -1.29 114.58 118.46 3e6c h GLU 125 Ca -0.01 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 3e6c h GLU 125 Cb 1.41 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 3e6c h GLU 125 CO 0.10 0.62 0.07 0.82 -1.16 0.00 0.00 179.01 179.46 3e6c h ILE 126 N 0.96 1.23 -0.65 3.13 2.04 -1.08 -2.03 117.51 121.12 3e6c h ILE 126 Ca 0.26 -0.80 0.13 0.00 1.00 0.00 0.00 64.86 65.46 3e6c h ILE 126 Cb -0.11 1.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.95 3e6c h ILE 126 CO -0.06 0.27 0.13 -0.26 0.00 0.00 0.00 178.15 178.23 3e6c h PHE 127 N 0.42 0.20 -0.82 1.37 0.04 -1.31 -0.07 116.94 116.77 3e6c h PHE 127 Ca 0.11 0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.96 3e6c h PHE 127 Cb 0.33 0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 3e6c h PHE 127 CO 0.02 -0.06 0.51 0.87 -0.60 0.00 0.00 178.31 179.05 3e6c h LYS 128 N 0.25 0.94 -0.11 1.51 1.57 -0.96 0.36 116.57 120.13 3e6c h LYS 128 Ca 0.35 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3e6c h LYS 128 Cb 0.55 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3e6c h LYS 128 CO -0.45 0.62 0.04 -0.97 -0.57 0.00 0.00 179.45 178.12 3e6c h ASN 129 N 0.97 0.15 -0.15 0.86 -0.73 -0.69 -0.97 115.58 115.03 3e6c h ASN 129 Ca 0.34 -0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.33 3e6c h ASN 129 Cb 0.09 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 3e6c h ASN 129 CO -0.14 0.29 0.09 1.88 -0.37 0.00 0.00 177.43 179.18 3e6c h TYR 130 N 0.00 0.19 -0.64 0.67 0.99 -0.64 -2.76 116.97 114.78 3e6c h TYR 130 Ca 0.03 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.85 3e6c h TYR 130 Cb 0.19 -0.06 -0.07 0.00 1.00 0.00 0.00 36.73 37.79 3e6c h TYR 130 CO -0.01 0.14 0.29 1.25 -0.00 0.00 0.00 178.16 179.84 3e6c h LEU 131 N 0.18 0.36 -0.93 3.88 5.85 -0.22 -0.69 115.31 123.75 3e6c h LEU 131 Ca 0.05 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.94 3e6c h LEU 131 Cb 0.00 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 3e6c h LEU 131 CO -0.01 0.22 0.57 0.74 -0.34 0.00 0.00 178.44 179.61 3e6c h THR 132 N 0.52 0.93 -0.31 1.05 2.02 -1.11 0.65 112.91 116.66 3e6c h THR 132 Ca 0.31 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 3e6c h THR 132 Cb 0.33 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 3e6c h THR 132 CO -0.26 0.17 -0.28 0.11 0.37 0.00 0.00 175.52 175.63 3e6c h LYS 133 N 0.92 0.74 -0.32 6.66 1.57 -1.10 -2.11 116.57 122.93 3e6c h LYS 133 Ca 0.45 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3e6c h LYS 133 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3e6c h LYS 133 CO -0.25 1.00 0.12 0.28 -0.57 0.00 0.00 179.45 180.03 3e6c h VAL 134 N 0.50 1.19 -0.90 0.50 2.07 -0.84 -1.55 116.25 117.21 3e6c h VAL 134 Ca 0.05 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.06 3e6c h VAL 134 Cb 0.85 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3e6c h VAL 134 CO 0.07 0.20 0.59 0.00 0.02 0.00 0.00 177.57 178.45 3e6c h ALA 135 N 0.96 1.54 0.40 1.67 0.00 -0.86 -0.10 119.26 122.87 3e6c h ALA 135 Ca 0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3e6c h ALA 135 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3e6c h ALA 135 CO -0.01 0.31 -0.19 -0.92 0.00 0.00 0.00 179.25 178.45 3e6c h TYR 136 N 1.00 -0.49 0.03 0.00 3.20 -1.09 -2.41 116.97 117.21 3e6c h TYR 136 Ca 0.39 -0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.99 3e6c h TYR 136 Cb 0.25 0.16 0.02 0.00 1.54 0.00 0.00 36.73 38.69 3e6c h TYR 136 CO -0.00 -0.19 -1.06 1.88 -1.64 0.00 0.00 178.16 177.15 3e6c h TYR 137 N -0.78 0.85 -0.48 -3.82 -1.99 -1.14 -1.69 116.97 107.92 3e6c h TYR 137 Ca -0.05 -0.49 0.02 0.00 2.00 0.00 0.00 58.73 60.21 3e6c h TYR 137 Cb 0.53 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.14 3e6c h TYR 137 CO 0.00 1.32 0.29 0.00 -0.00 0.00 0.00 178.16 179.78 3e6c h ALA 138 N 0.51 0.61 -0.77 3.88 0.00 -1.12 -1.66 119.26 120.72 3e6c h ALA 138 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3e6c h ALA 138 Cb 1.72 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 3e6c h ALA 138 CO 0.20 -0.00 0.49 -0.09 0.00 0.00 0.00 179.25 179.84 3e6c h ARG 139 N 0.59 1.02 -0.50 0.00 2.43 -1.37 -2.70 114.38 113.85 3e6c h ARG 139 Ca 0.19 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 3e6c h ARG 139 Cb -0.01 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3e6c h ARG 139 CO -0.07 0.70 -0.01 0.37 -1.51 0.00 0.00 179.97 179.44 3e6c h GLN 140 N 1.05 0.89 0.17 0.20 5.75 -1.00 0.23 115.11 122.40 3e6c h GLN 140 Ca 0.28 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3e6c h GLN 140 Cb -0.08 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 3e6c h GLN 140 CO -0.06 0.93 -0.26 0.28 -2.65 0.00 0.00 178.83 177.08 3e6c h VAL 141 N 0.76 0.44 -0.59 2.39 2.07 -1.19 0.29 116.25 120.42 3e6c h VAL 141 Ca 0.14 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3e6c h VAL 141 Cb 0.53 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3e6c h VAL 141 CO 0.03 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.89 3e6c h ALA 142 N 0.21 1.38 -0.49 1.67 0.00 -1.14 -2.17 119.26 118.72 3e6c h ALA 142 Ca 0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3e6c h ALA 142 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3e6c h ALA 142 CO -0.11 0.48 -0.21 1.49 0.00 0.00 0.00 179.25 180.90 3e6c h GLU 143 N 0.83 1.01 0.00 0.00 4.81 -0.26 -2.52 114.58 118.45 3e6c h GLU 143 Ca 0.20 -0.43 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3e6c h GLU 143 Cb 0.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3e6c h GLU 143 CO -0.03 1.11 -0.18 0.52 -0.73 0.00 0.00 179.01 179.71 3e6c h MET 144 N 0.87 0.00 -0.00 1.92 2.86 -0.49 -0.71 114.93 119.38 3e6c h MET 144 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3e6c h MET 144 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.45 3e6c h MET 144 CO 0.07 0.18 -0.12 0.09 1.06 0.00 0.00 176.91 178.18 3e6c n ASN 145 N -3.50 0.22 -0.02 1.22 3.02 -0.86 -4.33 115.26 111.02 3e6c n ASN 145 Ca -0.01 -0.05 -0.03 0.00 -0.03 0.00 0.00 54.58 54.46 3e6c n ASN 145 Cb 0.34 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 3e6c n ASN 145 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3e6c n THR 146 N -1.31 0.26 -4.39 3.41 -1.04 -0.87 -5.07 114.28 105.28 3e6c n THR 146 Ca 0.10 -0.11 -0.26 0.00 -2.04 0.00 0.00 64.05 61.74 3e6c n THR 146 Cb 0.30 -0.71 -0.13 0.00 -1.82 0.00 0.00 70.33 67.98 3e6c n THR 146 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3e6c s TYR 147 N -2.09 1.98 0.54 -1.42 2.02 -0.33 -5.09 117.35 112.96 3e6c s TYR 147 Ca -0.05 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.08 3e6c s TYR 147 Cb 0.02 -1.10 -0.07 0.00 -0.40 0.00 0.00 41.96 40.41 3e6c s TYR 147 CO 0.11 0.23 1.00 -0.80 -1.57 0.00 0.00 175.55 174.53 3e6c s ASN 148 N -1.84 6.42 0.26 2.29 0.01 -1.26 -4.68 114.94 116.13 3e6c s ASN 148 Ca 0.09 1.62 -0.11 0.00 -0.71 0.00 0.00 52.86 53.76 3e6c s ASN 148 Cb -0.10 -2.51 0.39 0.00 0.41 0.00 0.00 41.25 39.44 3e6c s ASN 148 CO 0.04 -0.73 1.53 -2.65 -1.51 0.00 0.00 177.10 173.78 3e6c n PRO 149 N -1.72 -0.13 -0.04 -0.60 -0.02 -1.26 -1.18 135.00 130.04 3e6c n PRO 149 Ca 0.07 1.53 -0.09 0.00 -2.02 0.00 0.00 63.50 62.99 3e6c n PRO 149 Cb 0.54 -2.28 0.08 0.00 -0.02 0.00 0.00 33.50 31.82 3e6c n PRO 149 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3e6c h THR 150 N 0.00 1.29 -0.77 3.45 1.35 -1.93 -2.04 112.91 114.26 3e6c h THR 150 Ca 0.43 -1.54 -0.05 0.00 -0.55 0.00 0.00 66.41 64.70 3e6c h THR 150 Cb 0.68 1.48 -0.03 0.00 -1.73 0.00 0.00 68.15 68.54 3e6c h THR 150 CO -1.00 0.50 0.29 0.40 -0.25 0.00 0.00 175.52 175.45 3e6c h ILE 151 N 0.55 1.26 -0.17 6.82 1.08 -1.67 -2.64 117.51 122.75 3e6c h ILE 151 Ca 0.05 -0.85 -0.03 0.00 -0.39 0.00 0.00 64.86 63.64 3e6c h ILE 151 Cb 0.90 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 3e6c h ILE 151 CO 0.08 0.34 -0.04 0.03 -0.69 0.00 0.00 178.15 177.87 3e6c h ARG 152 N 1.13 0.24 -0.07 2.37 3.08 -0.47 -0.89 114.38 119.78 3e6c h ARG 152 Ca 0.26 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 3e6c h ARG 152 Cb 0.24 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3e6c h ARG 152 CO -0.02 0.31 -0.02 0.82 -1.07 0.00 0.00 179.97 179.99 3e6c h ILE 153 N 0.24 1.29 -0.76 2.04 2.04 -1.17 -2.31 117.51 118.89 3e6c h ILE 153 Ca 0.05 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 65.05 3e6c h ILE 153 Cb 0.24 1.78 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 3e6c h ILE 153 CO 0.01 0.25 0.46 -0.07 0.00 0.00 0.00 178.15 178.80 3e6c h LEU 154 N -0.21 0.71 -1.23 1.44 3.38 -1.13 -2.65 115.31 115.63 3e6c h LEU 154 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3e6c h LEU 154 Cb 0.41 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3e6c h LEU 154 CO 0.01 0.46 0.30 0.03 0.09 0.00 0.00 178.44 179.32 3e6c h ARG 155 N 0.85 0.83 -0.23 1.13 3.08 -1.18 -1.15 114.38 117.71 3e6c h ARG 155 Ca 0.33 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 3e6c h ARG 155 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3e6c h ARG 155 CO -0.17 0.64 0.03 1.25 -1.07 0.00 0.00 179.97 180.65 3e6c h LEU 156 N 0.84 0.38 -0.73 3.04 5.85 -1.07 -2.02 115.31 121.60 3e6c h LEU 156 Ca 0.21 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 3e6c h LEU 156 Cb 0.07 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3e6c h LEU 156 CO -0.03 0.56 -0.15 -0.26 -0.34 0.00 0.00 178.44 178.21 3e6c h PHE 157 N 0.18 0.91 -0.26 1.25 0.04 -1.31 -1.19 116.94 116.56 3e6c h PHE 157 Ca 0.07 -0.18 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 3e6c h PHE 157 Cb 0.35 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3e6c h PHE 157 CO 0.03 0.91 0.07 -0.92 -0.60 0.00 0.00 178.31 177.79 3e6c h TYR 158 N 0.72 0.42 -0.49 -0.55 3.20 -1.22 -1.53 116.97 117.53 3e6c h TYR 158 Ca 0.11 -0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 3e6c h TYR 158 Cb 0.66 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3e6c h TYR 158 CO 0.04 0.48 -0.20 0.93 -1.64 0.00 0.00 178.16 177.77 3e6c h GLU 159 N 0.24 0.99 -0.67 1.82 5.08 -1.29 -0.09 114.58 120.66 3e6c h GLU 159 Ca 0.08 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.95 3e6c h GLU 159 Cb 0.27 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3e6c h GLU 159 CO -0.00 1.09 0.10 -0.07 -1.00 0.00 0.00 179.01 179.13 3e6c h LEU 160 N 0.86 1.07 -0.27 1.33 3.38 -1.25 -0.65 115.31 119.77 3e6c h LEU 160 Ca 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3e6c h LEU 160 Cb 0.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3e6c h LEU 160 CO 0.06 1.06 0.13 0.00 0.09 0.00 0.00 178.44 179.79 3e6c h SER 162 N 0.31 0.76 0.10 0.00 0.02 -0.98 0.80 113.55 114.56 3e6c h SER 162 Ca 0.09 -0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.78 3e6c h SER 162 Cb 0.11 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3e6c h SER 162 CO -0.01 0.54 -1.28 -1.28 -1.14 0.00 0.00 176.83 173.66 3e6c h SER 163 N 0.90 0.33 0.00 3.07 0.87 -1.01 -3.42 113.55 114.30 3e6c h SER 163 Ca 0.26 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 3e6c h SER 163 Cb -0.06 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3e6c h SER 163 CO -0.08 1.56 -0.18 0.00 -0.53 0.00 0.00 176.83 177.61 3e6c n GLN 164 N -4.02 0.89 -2.68 2.24 10.64 0.18 -5.05 117.38 119.58 3e6c n GLN 164 Ca -0.24 -1.51 -0.41 0.00 -1.83 0.00 0.00 57.00 53.01 3e6c n GLN 164 Cb 0.85 -0.90 -0.04 0.00 -0.86 0.00 0.00 30.24 29.28 3e6c n GLN 164 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3e6c s GLY 165 N -1.45 2.97 -0.17 2.61 0.00 0.28 -4.62 107.32 106.93 3e6c s GLY 165 Ca 0.10 0.64 -0.08 0.00 0.00 0.00 0.00 44.72 45.38 3e6c s GLY 165 CO 0.01 1.50 0.12 1.25 0.00 0.00 0.00 173.10 175.97 3e6c s LYS 166 N -0.14 3.89 0.06 2.90 2.20 0.06 -4.87 119.74 123.83 3e6c s LYS 166 Ca 0.47 -0.22 -0.31 0.00 -0.36 0.00 0.00 55.97 55.56 3e6c s LYS 166 Cb -0.25 -3.30 -0.07 0.00 -1.51 0.00 0.00 37.83 32.71 3e6c s LYS 166 CO 0.31 0.46 1.37 1.03 -0.36 0.00 0.00 175.35 178.16 3e6c s ARG 167 N -0.11 4.32 -0.43 4.03 0.52 -1.26 -0.82 118.95 125.20 3e6c s ARG 167 Ca 0.10 2.00 0.02 0.00 -0.52 0.00 0.00 55.73 57.32 3e6c s ARG 167 Cb -0.11 -3.39 0.13 0.00 0.52 0.00 0.00 34.95 32.10 3e6c s ARG 167 CO 0.00 -0.47 0.22 0.08 0.02 0.00 0.00 175.30 175.16 3e6c s VAL 168 N 1.62 1.34 0.00 3.52 1.01 -0.59 -4.92 120.40 122.38 3e6c s VAL 168 Ca 0.64 -2.44 0.00 0.00 0.00 0.00 0.00 61.98 60.17 3e6c s VAL 168 Cb -0.34 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3e6c s VAL 168 CO 0.29 -0.88 0.00 0.61 0.00 0.00 0.00 175.10 175.12 3e6c n GLY 169 N 3.66 3.73 0.17 4.51 0.00 -1.26 -2.27 105.19 113.73 3e6c n GLY 169 Ca 0.08 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3e6c n GLY 169 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3e6c h ASP 170 N 0.00 0.00 -2.30 1.61 3.04 -1.98 -3.46 116.42 113.33 3e6c h ASP 170 Ca 0.00 0.00 -0.59 0.00 -3.24 0.00 0.00 57.03 53.20 3e6c h ASP 170 Cb 0.00 0.00 -0.13 0.00 -1.04 0.00 0.00 39.33 38.16 3e6c h ASP 170 CO 0.00 0.00 -0.52 0.42 -2.04 0.00 0.00 179.24 177.10 3e6c s THR 171 N -3.54 0.81 -0.03 1.15 -4.23 -0.96 -4.80 115.64 104.04 3e6c s THR 171 Ca -0.02 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.56 3e6c s THR 171 Cb 0.06 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 3e6c s THR 171 CO 0.19 0.00 -0.24 -0.31 -0.54 0.00 0.00 174.62 173.72 3e6c s TYR 172 N -3.10 2.41 -0.17 3.99 1.51 -0.36 -1.54 117.35 120.10 3e6c s TYR 172 Ca 0.19 -0.46 -0.04 0.00 -1.01 0.00 0.00 57.07 55.76 3e6c s TYR 172 Cb 0.03 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.31 3e6c s TYR 172 CO 0.11 -0.05 -0.04 -1.21 -1.11 0.00 0.00 175.55 173.26 3e6c s GLU 173 N -0.52 3.61 -0.45 -0.62 2.02 -0.00 -0.59 118.70 122.15 3e6c s GLU 173 Ca 0.07 -0.55 -0.13 0.00 0.02 0.00 0.00 54.97 54.38 3e6c s GLU 173 Cb -0.11 -2.92 0.07 0.00 0.10 0.00 0.00 34.13 31.26 3e6c s GLU 173 CO 0.00 0.16 0.34 0.42 0.02 0.00 0.00 175.26 176.20 3e6c s ILE 174 N 0.57 4.91 -0.92 -1.63 1.01 0.80 -0.76 121.20 125.18 3e6c s ILE 174 Ca -0.03 -1.11 -0.24 0.00 0.00 0.00 0.00 60.65 59.27 3e6c s ILE 174 Cb -0.14 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.44 3e6c s ILE 174 CO 0.03 -0.51 1.41 -0.89 0.00 0.00 0.00 174.94 174.97 3e6c s THR 175 N 1.58 3.83 -0.26 2.92 2.01 -1.26 -1.77 115.64 122.69 3e6c s THR 175 Ca 0.04 -0.34 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 3e6c s THR 175 Cb -0.23 -4.98 0.09 0.00 0.01 0.00 0.00 72.50 67.39 3e6c s THR 175 CO 0.06 -1.88 0.62 -0.32 -0.69 0.00 0.00 174.62 172.40 3e6c s MET 176 N 5.31 0.60 -0.39 4.92 0.00 -0.91 -4.99 119.30 123.84 3e6c s MET 176 Ca 0.43 1.20 -0.22 0.00 0.00 0.00 0.00 55.69 57.09 3e6c s MET 176 Cb -0.03 0.30 0.01 0.00 0.00 0.00 0.00 34.83 35.11 3e6c s MET 176 CO -0.01 -0.17 0.74 -1.25 0.00 0.00 0.00 175.02 174.33 3e6c s PRO 177 N 1.96 3.61 -0.16 4.11 0.04 -1.25 -3.40 135.00 139.92 3e6c s PRO 177 Ca -0.08 0.10 -0.04 0.00 0.04 0.00 0.00 61.00 61.02 3e6c s PRO 177 Cb -0.08 -3.85 0.07 0.00 0.04 0.00 0.00 34.50 30.68 3e6c s PRO 177 CO -0.18 -0.91 0.20 -1.17 0.04 0.00 0.00 177.00 174.98 3e6c s LEU 178 N 3.05 -0.11 0.61 -3.56 2.96 -1.26 -5.05 118.68 115.33 3e6c s LEU 178 Ca 0.29 0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.14 3e6c s LEU 178 Cb -0.13 0.37 -0.04 0.00 0.50 0.00 0.00 46.19 46.89 3e6c s LEU 178 CO 0.18 -0.29 1.03 -0.94 -1.32 0.00 0.00 176.35 175.01 3e6c s SER 179 N 2.32 6.26 0.27 3.68 1.04 -1.26 -4.91 113.70 121.10 3e6c s SER 179 Ca 0.05 1.43 -0.04 0.00 0.48 0.00 0.00 55.95 57.87 3e6c s SER 179 Cb -0.14 -2.47 0.36 0.00 0.10 0.00 0.00 66.02 63.86 3e6c s SER 179 CO -0.10 -0.85 1.93 1.56 0.98 0.00 0.00 173.24 176.77 3e6c h GLN 180 N -0.22 1.21 -0.50 4.02 4.20 -1.98 -1.37 115.11 120.46 3e6c h GLN 180 Ca -0.44 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.25 3e6c h GLN 180 Cb 1.19 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 28.65 3e6c h GLN 180 CO 0.62 0.80 0.23 -0.22 -0.67 0.00 0.00 178.83 179.59 3e6c h LYS 181 N 1.25 0.43 -0.21 1.46 3.64 -1.93 -0.32 116.57 120.88 3e6c h LYS 181 Ca 0.36 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.60 3e6c h LYS 181 Cb -0.08 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3e6c h LYS 181 CO -0.09 0.29 -0.30 0.77 -2.27 0.00 0.00 179.45 177.84 3e6c h SER 182 N 0.44 0.63 -0.51 4.20 0.02 -1.82 -1.51 113.55 115.01 3e6c h SER 182 Ca 0.23 -0.51 0.10 0.00 -0.84 0.00 0.00 61.79 60.77 3e6c h SER 182 Cb 0.18 -0.18 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 3e6c h SER 182 CO -0.19 1.02 -0.15 0.40 -1.14 0.00 0.00 176.83 176.77 3e6c h ILE 183 N 0.26 0.44 -0.91 3.27 2.04 -1.14 0.16 117.51 121.63 3e6c h ILE 183 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 3e6c h ILE 183 Cb 0.88 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 3e6c h ILE 183 CO 0.07 0.00 0.58 1.23 0.00 0.00 0.00 178.15 180.03 3e6c h GLY 184 N -0.03 1.37 1.10 5.37 0.00 -0.77 -0.68 103.07 109.42 3e6c h GLY 184 Ca 0.24 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 46.96 3e6c h GLY 184 CO -0.54 0.32 -0.55 0.83 0.00 0.00 0.00 176.54 176.60 3e6c h GLU 185 N 1.09 0.81 -0.40 4.80 5.08 -0.19 0.11 114.58 125.87 3e6c h GLU 185 Ca 0.39 -0.54 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 3e6c h GLU 185 Cb 0.11 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3e6c h GLU 185 CO -0.15 1.17 -0.06 0.82 -1.00 0.00 0.00 179.01 179.79 3e6c h ILE 186 N 0.56 1.27 0.00 3.13 2.04 -0.53 -3.27 117.51 120.71 3e6c h ILE 186 Ca 0.00 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3e6c h ILE 186 Cb 1.16 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 3e6c h ILE 186 CO 0.12 0.38 -0.74 0.35 0.00 0.00 0.00 178.15 178.26 3e6c n THR 187 N -4.38 0.19 -2.84 -0.27 -2.24 -0.28 -4.98 114.28 99.48 3e6c n THR 187 Ca -0.01 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 3e6c n THR 187 Cb 0.33 0.12 0.05 0.00 -2.10 0.00 0.00 70.33 68.73 3e6c n THR 187 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e6c n GLY 188 N 1.40 -0.13 3.00 3.38 0.00 0.28 -4.96 105.19 108.16 3e6c n GLY 188 Ca 0.03 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 3e6c n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e6c s VAL 189 N -3.23 0.57 0.41 1.61 1.01 -0.51 -4.93 120.40 115.33 3e6c s VAL 189 Ca 0.06 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 3e6c s VAL 189 Cb -0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 3e6c s VAL 189 CO 0.46 0.08 1.43 -2.28 0.00 0.00 0.00 175.10 174.79 3e6c s HIS 190 N -0.34 2.59 0.59 5.22 5.65 -1.26 -4.41 115.29 123.33 3e6c s HIS 190 Ca 0.01 1.25 0.40 0.00 0.25 0.00 0.00 55.06 56.97 3e6c s HIS 190 Cb -0.04 -3.92 2.16 0.00 -1.18 0.00 0.00 32.58 29.60 3e6c s HIS 190 CO -0.00 -2.80 2.30 1.12 -0.65 0.00 0.00 174.74 174.71 3e6c h HIS 191 N 2.71 0.00 0.17 3.88 -0.00 -1.91 -1.48 115.15 118.51 3e6c h HIS 191 Ca -0.51 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 59.56 3e6c h HIS 191 Cb 1.25 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 28.68 3e6c h HIS 191 CO 0.52 0.01 -1.31 -0.39 -0.00 0.00 0.00 177.93 176.76 3e6c h VAL 192 N 0.00 1.37 -0.75 6.12 -1.51 -1.96 -2.08 116.25 117.44 3e6c h VAL 192 Ca -0.00 -2.77 -0.00 0.00 -1.23 0.00 0.00 66.70 62.69 3e6c h VAL 192 Cb 0.06 2.90 -0.04 0.00 -2.13 0.00 0.00 31.29 32.08 3e6c h VAL 192 CO 0.00 0.82 0.45 0.74 -1.23 0.00 0.00 177.57 178.36 3e6c h THR 193 N 0.15 1.21 -0.42 7.19 2.02 -1.67 -1.35 112.91 120.04 3e6c h THR 193 Ca -0.19 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 3e6c h THR 193 Cb 2.01 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 3e6c h THR 193 CO 0.24 0.22 0.19 0.58 0.37 0.00 0.00 175.52 177.11 3e6c h VAL 194 N 1.04 1.19 -0.81 3.16 2.07 -1.29 -1.28 116.25 120.32 3e6c h VAL 194 Ca 0.27 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3e6c h VAL 194 Cb -0.04 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3e6c h VAL 194 CO -0.05 0.20 0.53 -1.28 0.02 0.00 0.00 177.57 176.99 3e6c h SER 195 N 0.53 0.90 -0.06 0.57 0.87 -0.90 -1.86 113.55 113.60 3e6c h SER 195 Ca 0.14 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3e6c h SER 195 Cb 0.15 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3e6c h SER 195 CO -0.02 0.64 0.02 -0.09 -0.53 0.00 0.00 176.83 176.86 3e6c h ARG 196 N 1.07 0.10 -0.57 2.24 2.43 -0.88 -1.23 114.38 117.54 3e6c h ARG 196 Ca 0.31 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3e6c h ARG 196 Cb -0.08 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3e6c h ARG 196 CO -0.08 0.28 0.37 0.28 -1.51 0.00 0.00 179.97 179.31 3e6c h VAL 197 N -0.10 1.13 -0.39 0.20 2.07 -1.16 -2.18 116.25 115.82 3e6c h VAL 197 Ca 0.02 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 3e6c h VAL 197 Cb 0.22 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3e6c h VAL 197 CO -0.00 0.14 -0.18 -0.07 0.02 0.00 0.00 177.57 177.48 3e6c h LEU 198 N 0.76 0.74 -0.65 2.57 3.38 -1.30 -1.04 115.31 119.77 3e6c h LEU 198 Ca 0.21 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.05 3e6c h LEU 198 Cb -0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.39 3e6c h LEU 198 CO -0.05 0.92 0.21 0.00 0.09 0.00 0.00 178.44 179.61 3e6c h ALA 199 N 1.15 0.84 0.18 1.53 0.00 -0.93 -0.52 119.26 121.50 3e6c h ALA 199 Ca 0.10 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3e6c h ALA 199 Cb 0.66 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3e6c h ALA 199 CO 0.05 -0.24 -0.09 0.77 0.00 0.00 0.00 179.25 179.74 3e6c h SER 200 N 0.37 -0.21 -0.63 0.00 0.02 -0.92 -1.18 113.55 111.00 3e6c h SER 200 Ca 0.34 -0.23 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 3e6c h SER 200 Cb 0.48 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 3e6c h SER 200 CO -0.37 0.13 0.42 -0.07 -1.14 0.00 0.00 176.83 175.80 3e6c h LEU 201 N -0.57 0.50 0.15 5.07 3.38 -1.06 -0.77 115.31 122.01 3e6c h LEU 201 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3e6c h LEU 201 Cb 0.42 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3e6c h LEU 201 CO 0.04 0.32 -0.07 0.50 0.09 0.00 0.00 178.44 179.32 3e6c h LYS 202 N 0.56 -0.19 0.00 1.13 3.64 -0.88 -0.34 116.57 120.49 3e6c h LYS 202 Ca 0.28 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.59 3e6c h LYS 202 Cb 0.36 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3e6c h LYS 202 CO -0.08 0.24 -0.37 0.07 -2.27 0.00 0.00 179.45 177.03 3e6c h ARG 203 N -0.73 0.00 -0.03 1.90 0.11 -0.95 -0.06 114.38 114.61 3e6c h ARG 203 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3e6c h ARG 203 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 3e6c h ARG 203 CO 0.03 0.37 0.00 0.39 0.10 0.00 0.00 179.97 180.86 3e6c n GLU 204 N -3.90 1.14 -3.61 0.08 1.02 -0.32 -4.94 120.64 110.12 3e6c n GLU 204 Ca -0.01 -0.22 -0.21 0.00 -0.02 0.00 0.00 57.16 56.70 3e6c n GLU 204 Cb 0.43 -1.30 0.06 0.00 -0.02 0.00 0.00 31.44 30.61 3e6c n GLU 204 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3e6c n ASN 205 N -0.56 -2.83 -0.10 1.62 4.13 -0.04 -4.91 115.26 112.58 3e6c n ASN 205 Ca 0.14 -0.69 -0.13 0.00 1.68 0.00 0.00 54.58 55.58 3e6c n ASN 205 Cb 0.11 -4.61 -0.09 0.00 -1.54 0.00 0.00 39.78 33.66 3e6c n ASN 205 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3e6c n ILE 206 N -4.40 1.10 -3.63 2.41 5.41 -0.16 -4.33 119.36 115.77 3e6c n ILE 206 Ca -0.20 -0.44 -0.11 0.00 1.00 0.00 0.00 62.75 63.00 3e6c n ILE 206 Cb 0.64 -1.14 -0.07 0.00 -0.71 0.00 0.00 39.64 38.35 3e6c n ILE 206 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3e6c s LEU 207 N -6.06 -0.58 -0.21 1.39 0.20 -1.10 -1.00 118.68 111.32 3e6c s LEU 207 Ca -0.25 1.12 -0.01 0.00 0.69 0.00 0.00 54.13 55.68 3e6c s LEU 207 Cb 0.07 2.14 0.06 0.00 -0.43 0.00 0.00 46.19 48.02 3e6c s LEU 207 CO 0.46 -0.20 -0.02 -0.62 -0.29 0.00 0.00 176.35 175.68 3e6c s ASP 208 N 0.28 3.32 -0.56 3.68 -1.08 -0.10 -3.04 116.67 119.18 3e6c s ASP 208 Ca 0.02 -0.95 -0.24 0.00 -0.52 0.00 0.00 52.55 50.86 3e6c s ASP 208 Cb -0.05 -0.92 0.04 0.00 -1.46 0.00 0.00 42.92 40.53 3e6c s ASP 208 CO -0.03 -0.25 0.93 -0.75 0.52 0.00 0.00 175.17 175.59 3e6c s LYS 209 N 1.60 3.30 0.00 4.34 2.36 -1.26 -0.90 119.74 129.18 3e6c s LYS 209 Ca -0.03 -0.34 0.00 0.00 -2.55 0.00 0.00 55.97 53.05 3e6c s LYS 209 Cb -0.18 -4.07 0.00 0.00 -1.05 0.00 0.00 37.83 32.54 3e6c s LYS 209 CO -0.07 -1.50 0.00 1.63 1.55 0.00 0.00 175.35 176.96 3e6c n LYS 210 N 7.43 1.17 -0.02 4.03 5.02 0.99 -4.98 118.16 131.80 3e6c n LYS 210 Ca 0.01 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 3e6c n LYS 210 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.44 3e6c n LYS 210 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3e6c h LYS 211 N 0.00 0.19 0.00 1.97 2.10 -1.95 -3.35 116.57 115.53 3e6c h LYS 211 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3e6c h LYS 211 Cb 0.00 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 3e6c h LYS 211 CO 0.00 0.14 0.00 0.09 -2.00 0.00 0.00 179.45 177.68 3e6c n ASN 212 N -4.98 1.32 -3.71 7.07 3.02 -1.26 -4.10 115.26 112.61 3e6c n ASN 212 Ca -0.04 -1.51 -0.13 0.00 -0.03 0.00 0.00 54.58 52.87 3e6c n ASN 212 Cb 0.03 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.11 3e6c n ASN 212 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3e6c s LYS 213 N -0.51 0.56 -0.18 3.52 1.02 -1.22 -2.13 119.74 120.81 3e6c s LYS 213 Ca 0.00 0.60 -0.08 0.00 0.02 0.00 0.00 55.97 56.51 3e6c s LYS 213 Cb 0.00 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.54 3e6c s LYS 213 CO 0.00 -0.08 0.10 0.42 -0.92 0.00 0.00 175.35 174.87 3e6c s ILE 214 N 0.15 5.13 -0.22 2.17 1.09 -0.73 -0.00 121.20 128.78 3e6c s ILE 214 Ca -0.01 0.09 -0.04 0.00 -1.10 0.00 0.00 60.65 59.59 3e6c s ILE 214 Cb -0.03 -3.31 -0.01 0.00 -1.06 0.00 0.00 42.46 38.05 3e6c s ILE 214 CO 0.01 0.47 -0.04 -0.63 -0.10 0.00 0.00 174.94 174.65 3e6c s ILE 215 N 0.16 3.36 -0.37 2.92 1.01 -0.08 -0.14 121.20 128.06 3e6c s ILE 215 Ca 0.07 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 3e6c s ILE 215 Cb -0.12 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.84 3e6c s ILE 215 CO -0.00 0.41 0.21 -0.69 0.00 0.00 0.00 174.94 174.86 3e6c s VAL 216 N 1.47 4.60 -0.48 2.92 1.01 0.24 -0.92 120.40 129.25 3e6c s VAL 216 Ca 0.06 -0.83 0.24 0.00 0.00 0.00 0.00 61.98 61.44 3e6c s VAL 216 Cb -0.14 -3.56 0.28 0.00 0.00 0.00 0.00 36.38 32.96 3e6c s VAL 216 CO -0.03 -0.22 1.56 1.88 0.00 0.00 0.00 175.10 178.29 3e6c h TYR 217 N 8.44 0.00 -1.48 5.22 0.05 -1.32 -0.95 116.97 126.92 3e6c h TYR 217 Ca -0.26 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.24 3e6c h TYR 217 Cb 1.11 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.61 3e6c h TYR 217 CO 0.58 0.00 -0.63 1.21 -1.05 0.00 0.00 178.16 178.26 3e6c s ASN 218 N -5.74 -0.34 0.19 3.88 3.84 -0.85 -4.87 114.94 111.05 3e6c s ASN 218 Ca 0.07 -1.90 -0.09 0.00 0.21 0.00 0.00 52.86 51.15 3e6c s ASN 218 Cb 0.07 1.13 0.09 0.00 -0.55 0.00 0.00 41.25 41.99 3e6c s ASN 218 CO 0.67 -0.13 1.67 0.25 -2.79 0.00 0.00 177.10 176.78 3e6c h LEU 219 N 5.77 1.07 -0.98 3.21 5.85 -1.84 -1.64 115.31 126.75 3e6c h LEU 219 Ca 0.11 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 3e6c h LEU 219 Cb 1.06 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3e6c h LEU 219 CO 0.14 1.07 -0.29 1.23 -0.34 0.00 0.00 178.44 180.25 3e6c h GLY 220 N 1.02 0.41 0.90 3.75 0.00 -1.99 -0.18 103.07 106.99 3e6c h GLY 220 Ca 0.20 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 3e6c h GLY 220 CO 0.02 0.31 -0.43 -2.09 0.00 0.00 0.00 176.54 174.36 3e6c h GLU 221 N 0.33 0.56 -0.54 4.80 4.57 -1.98 -1.77 114.58 120.56 3e6c h GLU 221 Ca 0.05 -0.40 0.11 0.00 -1.18 0.00 0.00 59.36 57.93 3e6c h GLU 221 Cb 0.69 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.25 3e6c h GLU 221 CO 0.05 1.02 -0.01 1.25 -1.18 0.00 0.00 179.01 180.14 3e6c h LEU 222 N 0.21 -0.25 -0.34 1.64 5.85 -1.07 -1.34 115.31 120.01 3e6c h LEU 222 Ca -0.01 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 3e6c h LEU 222 Cb 1.04 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3e6c h LEU 222 CO 0.09 -0.09 -0.12 0.50 -0.34 0.00 0.00 178.44 178.48 3e6c h LYS 223 N 0.11 0.67 0.44 1.25 3.64 -1.01 -1.82 116.57 119.85 3e6c h LYS 223 Ca 0.27 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3e6c h LYS 223 Cb 0.42 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3e6c h LYS 223 CO -0.46 0.86 -0.29 1.25 -2.27 0.00 0.00 179.45 178.54 3e6c h HIS 224 N 0.45 -0.77 -0.92 1.91 2.76 -1.08 -2.23 115.15 115.27 3e6c h HIS 224 Ca 0.08 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.44 3e6c h HIS 224 Cb 0.64 0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.80 3e6c h HIS 224 CO 0.05 -0.44 0.60 -0.07 -1.30 0.00 0.00 177.93 176.77 3e6c h LEU 225 N -0.71 0.50 -0.29 0.26 3.38 -1.27 -0.91 115.31 116.28 3e6c h LEU 225 Ca -0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3e6c h LEU 225 Cb 0.59 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3e6c h LEU 225 CO 0.03 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 177.22 3e6c n SER 226 N -4.56 0.23 -0.90 -0.43 3.41 -0.68 -2.36 113.62 108.32 3e6c n SER 226 Ca 0.20 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 3e6c n SER 226 Cb 0.66 -0.61 0.26 0.00 -0.26 0.00 0.00 64.21 64.25 3e6c n SER 226 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3e6c n GLU 227 N -1.76 2.20 -2.97 4.33 1.02 -0.34 -4.84 120.64 118.27 3e6c n GLU 227 Ca 0.02 -1.79 -0.20 0.00 -0.02 0.00 0.00 57.16 55.17 3e6c n GLU 227 Cb 0.16 -1.47 0.08 0.00 -0.02 0.00 0.00 31.44 30.18 3e6c n GLU 227 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3e6c n GLN 228 N 1.05 0.50 0.02 3.49 1.13 -1.00 -5.04 117.38 117.54 3e6c n GLN 228 Ca 0.17 -3.15 0.11 0.00 -1.94 0.00 0.00 57.00 52.19 3e6c n GLN 228 Cb 0.52 -0.30 -0.02 0.00 0.11 0.00 0.00 30.24 30.54 3e6c n GLN 228 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3e6c n THR 229 N -2.37 0.11 -3.68 5.09 -2.24 -1.26 -4.93 114.28 105.00 3e6c n THR 229 Ca 0.17 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 3e6c n THR 229 Cb 0.61 0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 3e6c n THR 229 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3e6c s SER 230 N -3.81 -0.32 -0.31 3.42 0.15 -1.26 -4.50 113.70 107.07 3e6c s SER 230 Ca 0.03 0.19 0.19 0.00 0.70 0.00 0.00 55.95 57.06 3e6c s SER 230 Cb 0.15 0.39 0.47 0.00 -1.71 0.00 0.00 66.02 65.32 3e6c s SER 230 CO 0.82 -0.55 0.98 0.00 1.20 0.00 0.00 173.24 175.70 3e6c n TYR 231 N 0.97 1.15 -2.67 3.44 4.19 -1.26 -4.94 117.16 118.04 3e6c n TYR 231 Ca -0.20 -2.68 -0.43 0.00 3.31 0.00 0.00 57.90 57.90 3e6c n TYR 231 Cb 0.57 -0.34 0.00 0.00 0.49 0.00 0.00 39.34 40.06 3e6c n TYR 231 CO 0.00 0.00 0.00 0.98 0.91 0.00 0.00 176.86 178.75 3e6c n TYR 232 N -0.15 4.03 -0.85 2.98 9.36 -1.26 -4.86 117.16 126.41 3e6c n TYR 232 Ca 0.09 -3.09 0.00 0.00 3.32 0.00 0.00 57.90 58.21 3e6c n TYR 232 Cb 0.82 -2.08 0.00 0.00 -0.63 0.00 0.00 39.34 37.45 3e6c n TYR 232 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51