#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s59 s MET 80 N 0.00 3.12 -0.30 -1.46 1.00 -1.26 -4.96 119.30 115.44 1s59 s MET 80 Ca 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 55.69 54.86 1s59 s MET 80 Cb 0.00 -2.70 0.18 0.00 0.00 0.00 0.00 34.83 32.31 1s59 s MET 80 CO 0.00 -0.19 0.82 -1.83 0.00 0.00 0.00 175.02 173.82 1s59 s GLU 81 N 1.30 0.38 0.15 2.03 -1.05 -1.26 -5.14 118.70 115.10 1s59 s GLU 81 Ca 0.04 0.63 -0.25 0.00 -0.15 0.00 0.00 54.97 55.25 1s59 s GLU 81 Cb -0.14 0.35 -0.15 0.00 -0.44 0.00 0.00 34.13 33.76 1s59 s GLU 81 CO -0.09 -0.45 0.49 -0.40 0.95 0.00 0.00 175.26 175.76 1s59 n ASP 82 N 5.43 -0.93 -4.50 0.83 5.75 -1.26 -4.82 116.55 117.05 1s59 n ASP 82 Ca -0.03 0.95 -0.42 0.00 -0.01 0.00 0.00 54.79 55.29 1s59 n ASP 82 Cb 0.53 -0.79 -0.10 0.00 -1.03 0.00 0.00 41.12 39.72 1s59 n ASP 82 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1s59 s VAL 83 N -0.74 5.24 0.74 2.12 -7.23 -1.26 -4.54 120.40 114.74 1s59 s VAL 83 Ca 0.56 -0.38 -0.08 0.00 -1.81 0.00 0.00 61.98 60.27 1s59 s VAL 83 Cb -0.81 -3.85 0.07 0.00 0.56 0.00 0.00 36.38 32.35 1s59 s VAL 83 CO 0.47 -0.18 1.07 -1.83 -0.31 0.00 0.00 175.10 174.32 1s59 s GLU 84 N 1.78 2.06 0.07 4.82 -1.05 0.07 -4.67 118.70 121.78 1s59 s GLU 84 Ca 0.07 -0.20 0.09 0.00 -0.15 0.00 0.00 54.97 54.78 1s59 s GLU 84 Cb -0.18 -2.11 -0.03 0.00 -0.44 0.00 0.00 34.13 31.37 1s59 s GLU 84 CO 0.11 -1.38 -0.24 -1.21 0.95 0.00 0.00 175.26 173.49 1s59 s GLU 85 N -5.35 1.51 0.00 -4.83 2.02 -1.26 -1.45 118.70 109.33 1s59 s GLU 85 Ca 0.61 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 54.51 1s59 s GLU 85 Cb -0.10 -1.73 -0.00 0.00 0.10 0.00 0.00 34.13 32.39 1s59 s GLU 85 CO 0.46 0.43 -0.03 -0.08 0.02 0.00 0.00 175.26 176.06 1s59 s THR 86 N -0.89 0.23 -0.10 3.63 -1.32 -0.16 -4.36 115.64 112.66 1s59 s THR 86 Ca 0.10 -0.24 -0.19 0.00 -1.21 0.00 0.00 61.69 60.15 1s59 s THR 86 Cb -0.10 -0.22 -0.04 0.00 -1.51 0.00 0.00 72.50 70.63 1s59 s THR 86 CO 0.03 -0.01 0.52 -0.47 -2.21 0.00 0.00 174.62 172.48 1s59 s TYR 87 N -0.25 3.54 -0.07 9.09 5.04 -1.26 -1.54 117.35 131.90 1s59 s TYR 87 Ca -0.01 0.96 0.03 0.00 -2.44 0.00 0.00 57.07 55.61 1s59 s TYR 87 Cb -0.02 -2.59 0.01 0.00 0.35 0.00 0.00 41.96 39.71 1s59 s TYR 87 CO -0.00 0.18 -0.15 0.42 -1.34 0.00 0.00 175.55 174.65 1s59 s ILE 88 N 0.57 1.37 -0.08 3.14 1.01 0.61 -1.68 121.20 126.14 1s59 s ILE 88 Ca 0.28 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1s59 s ILE 88 Cb -0.16 -1.22 0.02 0.00 0.01 0.00 0.00 42.46 41.11 1s59 s ILE 88 CO 0.12 0.41 -0.10 -0.32 0.00 0.00 0.00 174.94 175.04 1s59 s MET 89 N 0.48 1.62 -0.12 2.79 1.75 0.41 -0.32 119.30 125.92 1s59 s MET 89 Ca -0.14 -0.35 -0.24 0.00 -1.25 0.00 0.00 55.69 53.71 1s59 s MET 89 Cb -0.15 -1.45 -0.03 0.00 2.84 0.00 0.00 34.83 36.04 1s59 s MET 89 CO 0.05 -0.07 0.74 0.08 -0.65 0.00 0.00 175.02 175.17 1s59 s VAL 90 N 1.01 4.98 0.78 10.11 1.01 -0.46 -0.27 120.40 137.56 1s59 s VAL 90 Ca -0.08 1.49 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 1s59 s VAL 90 Cb -0.15 -4.07 0.09 0.00 0.00 0.00 0.00 36.38 32.26 1s59 s VAL 90 CO -0.00 0.15 1.13 -0.54 0.00 0.00 0.00 175.10 175.83 1s59 s LYS 91 N 1.42 1.87 0.23 2.72 1.02 0.18 -1.35 119.74 125.82 1s59 s LYS 91 Ca 0.37 -0.16 -0.13 0.00 0.02 0.00 0.00 55.97 56.08 1s59 s LYS 91 Cb -0.17 -2.04 0.30 0.00 -0.52 0.00 0.00 37.83 35.40 1s59 s LYS 91 CO 0.15 -1.56 1.60 -1.35 -0.92 0.00 0.00 175.35 173.27 1s59 h PRO 92 N -0.93 -0.02 -0.74 -1.68 0.11 -1.85 0.10 132.00 127.00 1s59 h PRO 92 Ca -0.45 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1s59 h PRO 92 Cb 1.31 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 1s59 h PRO 92 CO 0.59 -0.01 0.48 0.38 -0.21 0.00 0.00 178.00 179.22 1s59 h ASP 93 N -0.02 0.80 -0.83 -2.05 2.03 -1.89 -0.71 116.42 113.75 1s59 h ASP 93 Ca 0.36 -0.01 0.13 0.00 -0.73 0.00 0.00 57.03 56.77 1s59 h ASP 93 Cb 0.57 -0.19 -0.06 0.00 -0.83 0.00 0.00 39.33 38.82 1s59 h ASP 93 CO -0.80 0.57 0.54 1.23 -1.03 0.00 0.00 179.24 179.75 1s59 h GLY 94 N 0.95 1.05 0.42 7.15 0.00 -1.00 0.75 103.07 112.40 1s59 h GLY 94 Ca 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1s59 h GLY 94 CO -0.09 0.12 -0.06 -2.22 0.00 0.00 0.00 176.54 174.29 1s59 h ILE 95 N 0.66 1.06 -0.86 2.60 1.08 -0.65 -1.12 117.51 120.27 1s59 h ILE 95 Ca 0.40 -1.14 0.17 0.00 -0.39 0.00 0.00 64.86 63.90 1s59 h ILE 95 Cb 0.63 1.72 -0.07 0.00 -3.07 0.00 0.00 36.82 36.04 1s59 h ILE 95 CO -0.16 0.25 0.56 1.56 -0.69 0.00 0.00 178.15 179.67 1s59 h GLN 96 N -0.74 0.51 -0.03 2.37 1.08 -0.47 0.52 115.11 118.36 1s59 h GLN 96 Ca -0.02 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1s59 h GLN 96 Cb 0.54 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1s59 h GLN 96 CO 0.03 0.34 0.00 0.54 -0.95 0.00 0.00 178.83 178.79 1s59 n ARG 97 N -4.53 1.59 -3.13 1.46 1.74 0.19 -4.95 116.66 109.04 1s59 n ARG 97 Ca 0.17 -0.87 -0.14 0.00 -0.77 0.00 0.00 57.85 56.25 1s59 n ARG 97 Cb 0.56 -1.47 0.07 0.00 -1.02 0.00 0.00 32.46 30.60 1s59 n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s59 n GLY 98 N 1.15 -0.18 0.64 -0.13 0.00 0.17 -4.94 105.19 101.90 1s59 n GLY 98 Ca 0.19 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1s59 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s59 n LEU 99 N -3.47 2.92 -0.26 0.99 4.77 -0.44 -4.65 117.00 116.86 1s59 n LEU 99 Ca -0.21 -1.99 -0.07 0.00 -0.03 0.00 0.00 56.01 53.71 1s59 n LEU 99 Cb 0.63 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1s59 n LEU 99 CO 0.48 0.73 0.97 0.58 -1.33 0.00 0.00 177.39 178.82 1s59 h VAL 100 N 2.04 1.26 -0.22 4.08 2.07 -1.89 -1.23 116.25 122.35 1s59 h VAL 100 Ca 0.00 -0.92 -0.17 0.00 0.82 0.00 0.00 66.70 66.42 1s59 h VAL 100 Cb 0.73 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1s59 h VAL 100 CO 0.00 0.36 -0.56 1.23 0.02 0.00 0.00 177.57 178.62 1s59 h GLY 101 N 1.08 0.76 0.71 2.17 0.00 -1.96 -3.01 103.07 102.82 1s59 h GLY 101 Ca 0.23 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1s59 h GLY 101 CO -0.00 0.81 -0.00 -2.09 0.00 0.00 0.00 176.54 175.25 1s59 h GLU 102 N 0.53 0.07 -0.24 4.80 4.81 -1.82 -1.80 114.58 120.92 1s59 h GLU 102 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1s59 h GLU 102 Cb 1.14 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1s59 h GLU 102 CO 0.11 0.37 0.15 0.82 -0.73 0.00 0.00 179.01 179.74 1s59 h ILE 103 N -0.23 1.05 -0.61 2.32 2.04 -1.31 -2.08 117.51 118.70 1s59 h ILE 103 Ca 0.01 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1s59 h ILE 103 Cb 0.34 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1s59 h ILE 103 CO 0.00 0.06 0.39 0.40 0.00 0.00 0.00 178.15 179.00 1s59 h ILE 104 N 0.31 1.12 0.00 -0.67 2.04 -1.54 -2.30 117.51 116.47 1s59 h ILE 104 Ca 0.09 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1s59 h ILE 104 Cb -0.03 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1s59 h ILE 104 CO -0.03 0.14 -0.02 0.28 0.00 0.00 0.00 178.15 178.52 1s59 h SER 105 N 0.78 0.00 -0.27 1.72 0.02 -0.94 -1.44 113.55 113.43 1s59 h SER 105 Ca 0.23 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1s59 h SER 105 Cb -0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1s59 h SER 105 CO -0.07 0.02 0.03 0.03 -1.14 0.00 0.00 176.83 175.70 1s59 h ARG 106 N 0.00 0.45 -0.01 3.45 3.08 -0.79 -1.76 114.38 118.80 1s59 h ARG 106 Ca -0.00 -0.13 -0.17 0.00 0.07 0.00 0.00 59.98 59.75 1s59 h ARG 106 Cb 0.04 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1s59 h ARG 106 CO 0.00 0.58 -0.78 0.74 -1.07 0.00 0.00 179.97 179.44 1s59 h PHE 107 N 0.26 0.16 -0.66 3.04 0.04 -1.47 -1.72 116.94 116.59 1s59 h PHE 107 Ca 0.08 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1s59 h PHE 107 Cb 0.35 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 1s59 h PHE 107 CO 0.02 0.84 0.11 0.93 -0.60 0.00 0.00 178.31 179.62 1s59 h GLU 108 N 0.07 1.09 -0.01 1.51 5.08 -1.20 -2.35 114.58 118.76 1s59 h GLU 108 Ca -0.02 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 57.89 1s59 h GLU 108 Cb 1.36 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1s59 h GLU 108 CO 0.11 0.99 -0.75 0.87 -1.00 0.00 0.00 179.01 179.23 1s59 h LYS 109 N 1.02 0.13 -0.94 2.33 1.57 -1.26 -2.98 116.57 116.44 1s59 h LYS 109 Ca 0.20 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1s59 h LYS 109 Cb 0.43 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 1s59 h LYS 109 CO 0.01 0.82 0.62 -0.22 -0.57 0.00 0.00 179.45 180.11 1s59 h LYS 110 N 0.08 1.13 0.00 3.15 1.63 -0.93 -3.46 116.57 118.17 1s59 h LYS 110 Ca -0.02 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1s59 h LYS 110 Cb 1.32 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1s59 h LYS 110 CO 0.11 0.75 0.00 0.41 -3.45 0.00 0.00 179.45 177.26 1s59 n GLY 111 N -1.39 1.78 3.94 5.01 0.00 -0.93 -5.09 105.19 108.51 1s59 n GLY 111 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1s59 n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s59 s PHE 112 N -2.00 3.48 -0.09 1.61 0.08 -0.96 -5.03 117.98 115.06 1s59 s PHE 112 Ca 0.00 0.29 -0.13 0.00 0.12 0.00 0.00 56.93 57.21 1s59 s PHE 112 Cb 0.00 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 1s59 s PHE 112 CO 0.00 0.30 0.31 0.21 -0.10 0.00 0.00 175.22 175.94 1s59 s LYS 113 N -3.76 3.96 -0.26 0.44 2.20 -0.81 -4.57 119.74 116.94 1s59 s LYS 113 Ca 0.38 0.17 -0.14 0.00 -0.36 0.00 0.00 55.97 56.02 1s59 s LYS 113 Cb -0.10 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1s59 s LYS 113 CO 0.31 0.52 0.34 -1.17 -0.36 0.00 0.00 175.35 174.98 1s59 s LEU 114 N -0.40 4.05 0.00 5.43 2.96 -1.26 -0.65 118.68 128.81 1s59 s LEU 114 Ca 0.19 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1s59 s LEU 114 Cb -0.14 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.18 1s59 s LEU 114 CO 0.07 -0.13 0.00 2.30 -1.32 0.00 0.00 176.35 177.27 1s59 n ILE 115 N 4.95 0.00 -3.72 6.68 -5.35 -0.29 -4.94 119.36 116.69 1s59 n ILE 115 Ca -0.10 -0.34 -0.16 0.00 -0.27 0.00 0.00 62.75 61.89 1s59 n ILE 115 Cb 0.51 0.86 -0.16 0.00 -1.74 0.00 0.00 39.64 39.12 1s59 n ILE 115 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s59 s GLY 116 N -1.14 0.05 -0.19 3.28 0.00 -0.99 0.99 107.32 109.33 1s59 s GLY 116 Ca 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 44.72 45.07 1s59 s GLY 116 CO 0.00 1.21 0.49 -2.27 0.00 0.00 0.00 173.10 172.53 1s59 s LEU 117 N 1.65 -0.07 -0.29 0.66 2.96 -1.24 0.72 118.68 123.07 1s59 s LEU 117 Ca -0.03 1.02 -0.23 0.00 -0.22 0.00 0.00 54.13 54.67 1s59 s LEU 117 Cb -0.12 1.67 0.17 0.00 0.50 0.00 0.00 46.19 48.40 1s59 s LEU 117 CO -0.05 -0.19 1.24 -1.59 -1.32 0.00 0.00 176.35 174.44 1s59 s LYS 118 N 0.76 0.23 0.34 1.98 -2.85 -0.24 -4.97 119.74 114.99 1s59 s LYS 118 Ca -0.04 0.30 -0.26 0.00 -1.00 0.00 0.00 55.97 54.97 1s59 s LYS 118 Cb -0.05 0.10 -0.09 0.00 -2.06 0.00 0.00 37.83 35.73 1s59 s LYS 118 CO -0.06 -0.03 1.06 1.41 0.10 0.00 0.00 175.35 177.83 1s59 s MET 119 N 0.37 4.40 -0.21 1.78 -2.45 -1.26 -0.06 119.30 121.87 1s59 s MET 119 Ca 0.02 1.61 -0.12 0.00 -1.25 0.00 0.00 55.69 55.95 1s59 s MET 119 Cb -0.04 -2.84 0.06 0.00 1.25 0.00 0.00 34.83 33.26 1s59 s MET 119 CO -0.12 0.05 0.51 0.12 1.05 0.00 0.00 175.02 176.62 1s59 s PHE 120 N -1.44 -0.74 -0.56 4.11 5.36 0.82 -4.90 117.98 120.64 1s59 s PHE 120 Ca 0.51 1.55 -0.20 0.00 -0.96 0.00 0.00 56.93 57.84 1s59 s PHE 120 Cb -0.26 0.37 0.07 0.00 -0.34 0.00 0.00 43.02 42.86 1s59 s PHE 120 CO 0.33 -0.39 0.73 -1.14 -1.46 0.00 0.00 175.22 173.29 1s59 s GLN 121 N 1.32 3.12 -0.09 10.12 2.00 -1.26 -0.57 119.66 134.30 1s59 s GLN 121 Ca -0.08 -0.94 -0.29 0.00 -2.00 0.00 0.00 55.36 52.05 1s59 s GLN 121 Cb -0.07 -4.16 -0.05 0.00 0.80 0.00 0.00 33.01 29.53 1s59 s GLN 121 CO -0.13 -1.42 1.69 0.00 -0.50 0.00 0.00 175.29 174.93 1s59 s PRO 123 N 4.30 3.32 0.31 0.00 0.04 -1.26 -4.71 135.00 137.00 1s59 s PRO 123 Ca 0.75 1.77 0.06 0.00 0.04 0.00 0.00 61.00 63.62 1s59 s PRO 123 Cb -0.32 -2.10 0.72 0.00 0.04 0.00 0.00 34.50 32.84 1s59 s PRO 123 CO 0.31 -0.91 1.81 -0.22 0.04 0.00 0.00 177.00 178.02 1s59 h LYS 124 N 1.33 0.77 0.10 4.56 3.64 -1.95 -2.51 116.57 122.52 1s59 h LYS 124 Ca -0.50 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 1s59 h LYS 124 Cb 1.27 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1s59 h LYS 124 CO 0.57 0.51 -0.05 0.93 -2.27 0.00 0.00 179.45 179.14 1s59 h GLU 125 N 0.80 -0.13 -0.28 1.90 3.07 -1.99 -1.82 114.58 116.13 1s59 h GLU 125 Ca 0.53 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.46 1s59 h GLU 125 Cb 0.78 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.67 1s59 h GLU 125 CO -0.31 0.11 -0.09 1.25 -1.40 0.00 0.00 179.01 178.57 1s59 h LEU 126 N -0.36 -0.31 -1.27 1.33 5.85 -1.87 0.14 115.31 118.83 1s59 h LEU 126 Ca -0.01 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1s59 h LEU 126 Cb 0.30 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1s59 h LEU 126 CO 0.02 -0.11 0.09 0.00 -0.34 0.00 0.00 178.44 178.10 1s59 h ALA 127 N 1.25 1.41 -0.02 1.25 0.00 -1.46 0.43 119.26 122.12 1s59 h ALA 127 Ca 0.14 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1s59 h ALA 127 Cb 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1s59 h ALA 127 CO -0.30 0.42 -0.56 0.93 0.00 0.00 0.00 179.25 179.74 1s59 h GLU 128 N 0.57 0.05 -0.11 0.00 5.08 -0.40 -1.39 114.58 118.38 1s59 h GLU 128 Ca 0.13 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 1s59 h GLU 128 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1s59 h GLU 128 CO -0.00 0.59 -0.74 1.49 -1.00 0.00 0.00 179.01 179.36 1s59 h GLU 129 N 0.04 0.69 -0.23 2.33 4.22 0.46 -1.38 114.58 120.71 1s59 h GLU 129 Ca -0.00 -0.60 0.04 0.00 0.08 0.00 0.00 59.36 58.88 1s59 h GLU 129 Cb 1.00 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1s59 h GLU 129 CO 0.08 1.21 -0.00 1.25 -2.18 0.00 0.00 179.01 179.36 1s59 h HIS 130 N 0.37 -0.02 -0.47 0.92 2.76 0.06 -2.14 115.15 116.64 1s59 h HIS 130 Ca -0.06 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 1s59 h HIS 130 Cb 1.38 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.37 1s59 h HIS 130 CO 0.10 -0.04 0.04 0.66 -1.30 0.00 0.00 177.93 177.39 1s59 n TYR 131 N -5.15 1.67 -0.23 5.26 4.01 -0.55 -4.69 117.16 117.49 1s59 n TYR 131 Ca -0.02 -0.63 0.11 0.00 -0.16 0.00 0.00 57.90 57.21 1s59 n TYR 131 Cb 0.12 -0.45 0.22 0.00 -0.31 0.00 0.00 39.34 38.93 1s59 n TYR 131 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1s59 n LYS 132 N 0.39 -0.05 0.28 -0.72 4.81 -0.52 0.83 118.16 123.19 1s59 n LYS 132 Ca 0.23 0.98 0.16 0.00 -0.87 0.00 0.00 58.31 58.81 1s59 n LYS 132 Cb 1.02 -1.58 0.85 0.00 0.02 0.00 0.00 35.03 35.33 1s59 n LYS 132 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1s59 h ASP 133 N 0.00 0.00 -0.48 3.14 3.45 -1.85 -2.51 116.42 118.17 1s59 h ASP 133 Ca 0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.88 1s59 h ASP 133 Cb 0.92 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.69 1s59 h ASP 133 CO -0.60 0.06 0.00 0.18 -1.57 0.00 0.00 179.24 177.31 1s59 n LEU 134 N -3.47 3.58 0.28 1.55 4.77 0.24 -4.52 117.00 119.43 1s59 n LEU 134 Ca -0.02 -1.65 0.15 0.00 -0.03 0.00 0.00 56.01 54.47 1s59 n LEU 134 Cb 0.20 -0.31 0.82 0.00 -2.33 0.00 0.00 43.42 41.79 1s59 n LEU 134 CO 0.27 0.81 1.04 0.77 -1.33 0.00 0.00 177.39 178.95 1s59 h SER 135 N 4.34 0.00 0.55 -1.43 4.64 -1.38 -1.33 113.55 118.94 1s59 h SER 135 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1s59 h SER 135 Cb 0.98 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 1s59 h SER 135 CO 0.00 0.00 -1.59 0.00 -0.87 0.00 0.00 176.83 174.37 1s59 n ALA 136 N -1.87 1.95 -0.76 5.18 0.00 -1.26 -4.94 120.51 118.80 1s59 n ALA 136 Ca -0.02 -0.64 -0.32 0.00 0.00 0.00 0.00 53.44 52.45 1s59 n ALA 136 Cb 0.22 -0.84 0.13 0.00 0.00 0.00 0.00 19.45 18.96 1s59 n ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s59 n LYS 137 N -2.82 -0.39 0.00 0.00 4.76 -0.50 -4.92 118.16 114.30 1s59 n LYS 137 Ca -0.12 -0.07 0.13 0.00 -2.87 0.00 0.00 58.31 55.38 1s59 n LYS 137 Cb 0.86 -1.97 0.43 0.00 -1.84 0.00 0.00 35.03 32.52 1s59 n LYS 137 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1s59 n SER 138 N -2.00 0.26 0.00 4.39 3.41 -1.26 -3.44 113.62 114.98 1s59 n SER 138 Ca 0.08 0.11 0.11 0.00 -0.26 0.00 0.00 58.87 58.91 1s59 n SER 138 Cb 0.53 -0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 1s59 n SER 138 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1s59 n PHE 139 N -1.50 0.06 -0.22 7.33 1.16 -1.26 -4.47 117.46 118.55 1s59 n PHE 139 Ca 0.06 0.02 0.01 0.00 -1.87 0.00 0.00 57.45 55.67 1s59 n PHE 139 Cb 0.34 -0.22 0.09 0.00 -1.61 0.00 0.00 39.48 38.08 1s59 n PHE 139 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1s59 h PHE 140 N 0.00 -0.25 -0.13 2.97 3.57 -1.78 0.56 116.94 121.87 1s59 h PHE 140 Ca 0.00 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1s59 h PHE 140 Cb 0.66 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 1s59 h PHE 140 CO 0.00 -0.26 -0.10 -1.35 -2.23 0.00 0.00 178.31 174.37 1s59 h PRO 141 N 0.03 -0.11 -0.43 6.41 0.11 -1.82 -0.03 132.00 136.16 1s59 h PRO 141 Ca 0.33 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.40 1s59 h PRO 141 Cb 0.52 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1s59 h PRO 141 CO -0.65 -0.07 0.09 -0.97 -0.21 0.00 0.00 178.00 176.19 1s59 h ASN 142 N -0.11 0.59 -0.27 -2.05 -1.24 -1.47 -1.49 115.58 109.53 1s59 h ASN 142 Ca 0.09 -0.09 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 1s59 h ASN 142 Cb 0.24 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1s59 h ASN 142 CO -0.20 0.60 0.06 0.25 -1.29 0.00 0.00 177.43 176.85 1s59 h LEU 143 N 0.62 0.41 -0.68 0.34 5.85 0.93 -2.10 115.31 120.69 1s59 h LEU 143 Ca 0.14 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 1s59 h LEU 143 Cb 0.26 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1s59 h LEU 143 CO -0.00 0.54 0.01 0.40 -0.34 0.00 0.00 178.44 179.04 1s59 h ILE 144 N 0.26 1.26 0.01 4.05 1.08 -0.82 -2.07 117.51 121.29 1s59 h ILE 144 Ca 0.08 -1.13 0.03 0.00 -0.39 0.00 0.00 64.86 63.45 1s59 h ILE 144 Cb 0.29 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1s59 h ILE 144 CO 0.00 0.41 -0.22 -0.08 -0.69 0.00 0.00 178.15 177.57 1s59 h GLU 145 N 0.94 -0.34 0.44 2.37 4.57 -1.13 -2.53 114.58 118.90 1s59 h GLU 145 Ca 0.17 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1s59 h GLU 145 Cb 0.54 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1s59 h GLU 145 CO 0.03 -0.23 -0.21 -0.92 -1.18 0.00 0.00 179.01 176.50 1s59 h TYR 146 N -0.35 -0.55 0.00 0.92 3.20 -1.26 -0.78 116.97 118.15 1s59 h TYR 146 Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1s59 h TYR 146 Cb 0.42 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1s59 h TYR 146 CO -0.25 -0.28 0.09 0.97 -1.64 0.00 0.00 178.16 177.05 1s59 h ILE 147 N -0.72 0.00 -0.01 1.81 6.09 -1.36 0.98 117.51 124.31 1s59 h ILE 147 Ca -0.06 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1s59 h ILE 147 Cb 0.52 0.57 0.00 0.00 0.47 0.00 0.00 36.82 38.38 1s59 h ILE 147 CO 0.10 0.00 -0.23 0.35 -3.07 0.00 0.00 178.15 175.30 1s59 n THR 148 N -2.45 0.00 0.24 2.19 -2.24 -0.96 -4.59 114.28 106.47 1s59 n THR 148 Ca -0.02 -0.39 0.06 0.00 -2.27 0.00 0.00 64.05 61.44 1s59 n THR 148 Cb 0.13 1.08 0.30 0.00 -2.10 0.00 0.00 70.33 69.75 1s59 n THR 148 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s59 n SER 149 N -0.46 0.25 -3.73 3.42 3.41 0.34 -4.77 113.62 112.08 1s59 n SER 149 Ca 0.03 0.59 -0.07 0.00 -0.26 0.00 0.00 58.87 59.17 1s59 n SER 149 Cb 0.18 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.48 1s59 n SER 149 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1s59 s GLY 150 N -3.23 -0.25 0.67 5.00 0.00 -1.26 -5.09 107.32 103.16 1s59 s GLY 150 Ca 0.02 0.07 -0.15 0.00 0.00 0.00 0.00 44.72 44.67 1s59 s GLY 150 CO 0.18 0.02 1.11 2.56 0.00 0.00 0.00 173.10 176.97 1s59 s PRO 151 N -3.61 2.76 0.44 2.90 0.04 -1.26 -4.63 135.00 131.64 1s59 s PRO 151 Ca 0.09 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.55 1s59 s PRO 151 Cb -0.03 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1s59 s PRO 151 CO 0.01 -1.28 0.04 0.14 0.04 0.00 0.00 177.00 175.95 1s59 s VAL 152 N -2.37 1.20 -0.16 -0.36 -7.23 0.26 -4.11 120.40 107.63 1s59 s VAL 152 Ca 0.67 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 1s59 s VAL 152 Cb -0.20 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1s59 s VAL 152 CO 0.42 0.00 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.34 1s59 s VAL 153 N -2.98 2.27 -0.22 1.32 1.01 -0.46 -0.13 120.40 121.22 1s59 s VAL 153 Ca 0.20 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1s59 s VAL 153 Cb 0.04 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1s59 s VAL 153 CO 0.10 0.53 0.35 0.00 0.00 0.00 0.00 175.10 176.09 1s59 s MET 155 N 1.33 0.99 -0.15 0.00 -1.94 0.56 -1.08 119.30 119.01 1s59 s MET 155 Ca 0.16 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 1s59 s MET 155 Cb -0.15 -0.97 0.02 0.00 2.01 0.00 0.00 34.83 35.74 1s59 s MET 155 CO 0.07 0.26 -0.15 0.00 -0.01 0.00 0.00 175.02 175.19 1s59 s ALA 156 N -0.52 1.92 -0.09 3.03 0.00 0.22 -0.28 121.76 126.03 1s59 s ALA 156 Ca 0.03 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1s59 s ALA 156 Cb -0.06 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 1s59 s ALA 156 CO 0.00 -0.39 -0.17 -1.58 0.00 0.00 0.00 175.76 173.62 1s59 s TRP 157 N 1.46 2.68 0.05 0.00 0.52 -0.59 -1.14 118.94 121.91 1s59 s TRP 157 Ca 0.05 -0.53 0.04 0.00 0.02 0.00 0.00 56.10 55.67 1s59 s TRP 157 Cb -0.13 -1.71 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1s59 s TRP 157 CO -0.11 -0.10 -0.02 -2.00 0.02 0.00 0.00 176.95 174.74 1s59 s GLU 158 N -0.11 2.59 0.00 4.98 2.12 0.17 -0.99 118.70 127.47 1s59 s GLU 158 Ca -0.03 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.54 1s59 s GLU 158 Cb -0.14 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.69 1s59 s GLU 158 CO 0.04 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 1s59 n GLY 159 N 1.02 2.18 3.63 -1.50 0.00 -0.53 -1.93 105.19 108.07 1s59 n GLY 159 Ca -0.13 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1s59 n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s59 s VAL 160 N -2.00 4.70 -1.13 1.61 1.01 -1.26 -0.75 120.40 122.58 1s59 s VAL 160 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1s59 s VAL 160 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1s59 s VAL 160 CO 0.00 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.43 1s59 n GLY 161 N 3.91 0.04 0.17 4.51 0.00 -1.26 -4.92 105.19 107.64 1s59 n GLY 161 Ca 0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 1s59 n GLY 161 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s59 h VAL 162 N 0.00 1.39 0.76 1.61 3.04 -1.86 -2.44 116.25 118.74 1s59 h VAL 162 Ca -0.30 -2.01 -0.03 0.00 -1.01 0.00 0.00 66.70 63.35 1s59 h VAL 162 Cb 1.17 2.01 0.00 0.00 -2.01 0.00 0.00 31.29 32.47 1s59 h VAL 162 CO 0.36 0.60 -0.40 0.58 -1.01 0.00 0.00 177.57 177.70 1s59 h VAL 163 N 0.20 0.18 -0.75 1.51 2.07 -1.88 0.46 116.25 118.05 1s59 h VAL 163 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1s59 h VAL 163 Cb 1.14 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1s59 h VAL 163 CO 0.10 0.00 0.37 0.00 0.02 0.00 0.00 177.57 178.06 1s59 h ALA 164 N -0.86 1.25 -0.42 1.67 0.00 -1.88 -1.37 119.26 117.65 1s59 h ALA 164 Ca -0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1s59 h ALA 164 Cb 0.84 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1s59 h ALA 164 CO 0.14 0.58 0.24 1.03 0.00 0.00 0.00 179.25 181.25 1s59 h SER 165 N 1.05 0.52 -0.47 0.00 0.87 -1.21 -0.68 113.55 113.63 1s59 h SER 165 Ca 0.26 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1s59 h SER 165 Cb 0.08 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1s59 h SER 165 CO -0.04 0.44 0.27 0.00 -0.53 0.00 0.00 176.83 176.98 1s59 h ALA 166 N 1.10 0.60 -0.92 6.23 0.00 0.55 0.07 119.26 126.88 1s59 h ALA 166 Ca 0.15 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1s59 h ALA 166 Cb 0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1s59 h ALA 166 CO -0.03 -0.05 0.60 0.00 0.00 0.00 0.00 179.25 179.78 1s59 h ARG 167 N 0.54 1.06 0.18 0.00 2.47 -0.83 0.05 114.38 117.85 1s59 h ARG 167 Ca 0.19 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 1s59 h ARG 167 Cb 0.04 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 28.12 1s59 h ARG 167 CO -0.10 0.70 -0.09 -0.22 0.56 0.00 0.00 179.97 180.83 1s59 h LYS 168 N 1.09 -0.23 -0.44 0.04 3.64 -0.18 -2.30 116.57 118.19 1s59 h LYS 168 Ca 0.39 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.85 1s59 h LYS 168 Cb 0.13 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1s59 h LYS 168 CO -0.14 0.11 0.30 -0.07 -2.27 0.00 0.00 179.45 177.38 1s59 h LEU 169 N -0.61 0.27 -0.04 5.20 3.38 -0.63 -2.74 115.31 120.15 1s59 h LEU 169 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1s59 h LEU 169 Cb 0.45 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1s59 h LEU 169 CO 0.04 0.17 -0.07 0.40 0.09 0.00 0.00 178.44 179.07 1s59 h ILE 170 N 0.30 1.43 0.00 1.22 2.04 -0.89 0.42 117.51 122.04 1s59 h ILE 170 Ca 0.20 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1s59 h ILE 170 Cb 0.40 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1s59 h ILE 170 CO -0.04 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.09 1s59 n GLY 171 N 0.44 1.13 3.63 5.37 0.00 -0.88 -1.32 105.19 113.57 1s59 n GLY 171 Ca -0.08 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 1s59 n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s59 n LYS 172 N 0.95 0.53 -0.09 1.61 5.02 -1.26 -4.90 118.16 120.01 1s59 n LYS 172 Ca 0.00 0.24 -0.06 0.00 -2.02 0.00 0.00 58.31 56.47 1s59 n LYS 172 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 1s59 n LYS 172 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1s59 h THR 173 N -0.25 0.51 -3.36 -0.18 2.02 -1.96 -3.36 112.91 106.32 1s59 h THR 173 Ca -0.48 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.15 1s59 h THR 173 Cb 1.33 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 1s59 h THR 173 CO 0.47 0.00 1.00 -0.62 0.37 0.00 0.00 175.52 176.75 1s59 s ASP 174 N -5.14 6.44 0.31 4.18 -1.08 -1.26 -4.59 116.67 115.53 1s59 s ASP 174 Ca -0.14 0.46 0.06 0.00 -0.52 0.00 0.00 52.55 52.41 1s59 s ASP 174 Cb 0.14 -2.55 0.75 0.00 -1.46 0.00 0.00 42.92 39.80 1s59 s ASP 174 CO 0.70 -1.42 1.78 -0.65 0.52 0.00 0.00 175.17 176.10 1s59 h PRO 175 N 9.97 0.73 -0.40 4.34 0.11 -1.82 0.23 132.00 145.17 1s59 h PRO 175 Ca -0.25 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.87 1s59 h PRO 175 Cb 1.08 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1s59 h PRO 175 CO 1.14 0.49 0.27 -0.07 -0.21 0.00 0.00 178.00 179.61 1s59 h LEU 176 N 0.76 0.29 -0.39 2.35 3.38 -1.80 -1.10 115.31 118.79 1s59 h LEU 176 Ca 0.57 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 1s59 h LEU 176 Cb 0.90 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1s59 h LEU 176 CO -0.36 0.19 -0.47 0.00 0.09 0.00 0.00 178.44 177.89 1s59 n GLN 177 N -4.48 0.57 -2.29 1.13 1.13 0.67 -4.91 117.38 109.20 1s59 n GLN 177 Ca 0.05 -0.39 -0.41 0.00 -1.94 0.00 0.00 57.00 54.31 1s59 n GLN 177 Cb 0.23 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 1s59 n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s59 s ALA 178 N -2.70 3.47 0.18 -1.58 0.00 -0.42 -4.76 121.76 115.96 1s59 s ALA 178 Ca 0.17 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1s59 s ALA 178 Cb 0.18 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1s59 s ALA 178 CO 0.63 -0.44 1.37 -1.21 0.00 0.00 0.00 175.76 176.10 1s59 s GLU 179 N -0.67 4.34 0.28 0.00 8.01 -1.26 -4.32 118.70 125.08 1s59 s GLU 179 Ca 0.52 2.11 -0.29 0.00 0.01 0.00 0.00 54.97 57.32 1s59 s GLU 179 Cb -0.35 -3.20 -0.14 0.00 -4.31 0.00 0.00 34.13 26.14 1s59 s GLU 179 CO 0.41 -0.35 1.14 -2.30 0.01 0.00 0.00 175.26 174.17 1s59 n PRO 180 N 3.07 1.60 0.00 0.39 -0.02 -1.26 -1.82 135.00 136.95 1s59 n PRO 180 Ca 0.08 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1s59 n PRO 180 Cb 0.42 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1s59 n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s59 n GLY 181 N 1.34 2.40 3.92 -1.23 0.00 -1.26 -4.96 105.19 105.40 1s59 n GLY 181 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1s59 n GLY 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s59 s THR 182 N -2.29 5.03 0.15 2.61 -4.23 -0.75 -4.91 115.64 111.24 1s59 s THR 182 Ca 0.00 -0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.18 1s59 s THR 182 Cb 0.00 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 70.02 1s59 s THR 182 CO 0.00 -0.61 1.72 0.40 -0.54 0.00 0.00 174.62 175.59 1s59 h ILE 183 N 0.70 0.81 -0.30 2.99 2.04 -0.78 0.42 117.51 123.38 1s59 h ILE 183 Ca -0.48 -0.04 -0.18 0.00 1.00 0.00 0.00 64.86 65.16 1s59 h ILE 183 Cb 1.21 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1s59 h ILE 183 CO 0.62 0.02 -0.50 0.03 0.00 0.00 0.00 178.15 178.33 1s59 h ARG 184 N 0.12 0.87 0.00 2.37 3.08 -1.46 0.38 114.38 119.74 1s59 h ARG 184 Ca 0.15 -0.53 -0.06 0.00 0.07 0.00 0.00 59.98 59.61 1s59 h ARG 184 Cb 0.18 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1s59 h ARG 184 CO -0.22 1.17 -0.28 0.78 -1.07 0.00 0.00 179.97 180.34 1s59 h GLY 185 N 0.65 0.00 0.62 0.04 0.00 -1.69 -1.60 103.07 101.09 1s59 h GLY 185 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.99 1s59 h GLY 185 CO 0.11 0.00 -1.94 -0.55 0.00 0.00 0.00 176.54 174.16 1s59 h ASP 186 N 0.00 0.42 -0.12 0.19 3.32 -0.84 -3.42 116.42 115.97 1s59 h ASP 186 Ca -0.00 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 56.11 1s59 h ASP 186 Cb 0.64 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1s59 h ASP 186 CO 0.04 1.84 0.00 0.18 -1.72 0.00 0.00 179.24 179.58 1s59 n LEU 187 N -3.53 2.09 -4.19 1.55 4.77 0.12 -5.05 117.00 112.76 1s59 n LEU 187 Ca -0.31 -1.54 -0.11 0.00 -0.03 0.00 0.00 56.01 54.02 1s59 n LEU 187 Cb 1.04 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.95 1s59 n LEU 187 CO 0.43 0.49 -0.32 0.00 -1.33 0.00 0.00 177.39 176.66 1s59 s ALA 188 N -0.80 1.06 0.00 -1.18 0.00 -0.60 -4.99 121.76 115.25 1s59 s ALA 188 Ca 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1s59 s ALA 188 Cb 0.06 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1s59 s ALA 188 CO 0.09 -0.39 0.00 1.33 0.00 0.00 0.00 175.76 176.79 1s59 n VAL 189 N -0.14 0.00 -4.42 0.00 0.24 -1.26 -4.56 118.33 108.19 1s59 n VAL 189 Ca -0.07 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.01 1s59 n VAL 189 Cb 0.63 0.05 -0.13 0.00 -1.47 0.00 0.00 33.84 32.92 1s59 n VAL 189 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1s59 s GLN 190 N -1.37 1.09 0.15 7.34 -0.44 -1.26 -4.00 119.66 121.18 1s59 s GLN 190 Ca 0.00 -0.89 -0.16 0.00 -2.50 0.00 0.00 55.36 51.81 1s59 s GLN 190 Cb 0.00 -1.17 0.05 0.00 -1.64 0.00 0.00 33.01 30.25 1s59 s GLN 190 CO 0.00 0.29 1.77 1.15 0.50 0.00 0.00 175.29 179.00 1s59 h THR 191 N 4.38 0.95 0.00 -0.34 2.02 -1.94 -2.06 112.91 115.92 1s59 h THR 191 Ca -0.41 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1s59 h THR 191 Cb 1.17 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1s59 h THR 191 CO 0.43 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.99 1s59 n GLY 192 N -1.21 -0.50 2.35 2.16 0.00 -1.26 -2.97 105.19 103.76 1s59 n GLY 192 Ca 0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1s59 n GLY 192 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s59 n ARG 193 N -1.00 1.01 -0.90 1.61 5.12 -0.79 -4.98 116.66 116.73 1s59 n ARG 193 Ca 0.12 -3.12 -0.19 0.00 -1.93 0.00 0.00 57.85 52.74 1s59 n ARG 193 Cb 0.05 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 29.94 1s59 n ARG 193 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1s59 n ASN 194 N 0.21 5.03 0.00 0.55 0.23 -1.12 -4.44 115.26 115.73 1s59 n ASN 194 Ca 0.19 -3.16 0.00 0.00 -0.53 0.00 0.00 54.58 51.08 1s59 n ASN 194 Cb 0.70 -0.86 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 1s59 n ASN 194 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1s59 n ILE 195 N -0.33 0.00 -4.07 1.53 5.41 -1.26 -4.78 119.36 115.85 1s59 n ILE 195 Ca 0.40 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 64.06 1s59 n ILE 195 Cb 0.96 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.80 1s59 n ILE 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1s59 s VAL 196 N 0.00 0.17 -0.03 1.39 0.11 -1.26 0.52 120.40 121.29 1s59 s VAL 196 Ca 0.00 -1.74 0.06 0.00 -2.93 0.00 0.00 61.98 57.36 1s59 s VAL 196 Cb 0.00 -1.68 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 1s59 s VAL 196 CO 0.00 -0.76 -0.20 -2.28 -3.33 0.00 0.00 175.10 168.54 1s59 s HIS 197 N -3.95 1.85 -0.01 1.54 2.46 0.63 -4.94 115.29 112.86 1s59 s HIS 197 Ca 0.12 -0.44 0.05 0.00 0.47 0.00 0.00 55.06 55.27 1s59 s HIS 197 Cb 0.07 -1.21 -0.01 0.00 -0.13 0.00 0.00 32.58 31.30 1s59 s HIS 197 CO -0.06 -0.10 -0.17 0.20 -2.47 0.00 0.00 174.74 172.14 1s59 s GLY 198 N -0.26 0.87 0.55 1.59 0.00 -1.26 -0.44 107.32 108.37 1s59 s GLY 198 Ca 0.02 -0.78 -0.21 0.00 0.00 0.00 0.00 44.72 43.75 1s59 s GLY 198 CO 0.01 -0.66 1.33 1.44 0.00 0.00 0.00 173.10 175.22 1s59 n SER 199 N 2.54 2.53 -0.67 1.64 7.64 -0.68 -4.89 113.62 121.74 1s59 n SER 199 Ca -0.15 0.96 0.12 0.00 1.01 0.00 0.00 58.87 60.81 1s59 n SER 199 Cb 0.54 -1.56 0.36 0.00 -1.01 0.00 0.00 64.21 62.54 1s59 n SER 199 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1s59 n ASP 200 N -1.02 2.04 -3.55 6.43 5.68 -1.26 -4.73 116.55 120.13 1s59 n ASP 200 Ca 0.11 -1.73 -0.08 0.00 -0.50 0.00 0.00 54.79 52.60 1s59 n ASP 200 Cb 0.45 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.31 1s59 n ASP 200 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1s59 s SER 201 N -1.73 -0.30 0.48 -1.12 1.04 -1.26 -4.98 113.70 105.84 1s59 s SER 201 Ca 0.34 0.11 0.15 0.00 0.48 0.00 0.00 55.95 57.03 1s59 s SER 201 Cb 0.20 0.29 1.11 0.00 0.10 0.00 0.00 66.02 67.71 1s59 s SER 201 CO 0.30 -0.43 2.06 1.55 0.98 0.00 0.00 173.24 177.70 1s59 h PRO 202 N 2.15 0.01 -0.03 4.02 0.13 -1.92 0.41 132.00 136.76 1s59 h PRO 202 Ca -0.17 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1s59 h PRO 202 Cb 1.20 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s59 h PRO 202 CO 0.28 0.11 0.02 1.05 -0.23 0.00 0.00 178.00 179.23 1s59 h GLU 203 N 0.01 0.05 0.00 0.86 9.09 -1.95 -1.56 114.58 121.08 1s59 h GLU 203 Ca 0.00 -0.01 -0.06 0.00 0.05 0.00 0.00 59.36 59.34 1s59 h GLU 203 Cb 0.18 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.27 1s59 h GLU 203 CO 0.01 0.17 -0.29 -0.91 0.05 0.00 0.00 179.01 178.04 1s59 h ASN 204 N -0.08 0.00 -0.72 3.06 2.35 -1.72 -2.15 115.58 116.33 1s59 h ASN 204 Ca 0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1s59 h ASN 204 Cb 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1s59 h ASN 204 CO -0.00 0.29 0.22 1.23 -1.65 0.00 0.00 177.43 177.52 1s59 h GLY 205 N 1.72 1.21 0.57 2.83 0.00 0.29 0.21 103.07 109.90 1s59 h GLY 205 Ca -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.58 1s59 h GLY 205 CO 0.04 0.67 -0.07 0.50 0.00 0.00 0.00 176.54 177.68 1s59 h LYS 206 N 1.07 0.14 -0.29 4.80 1.57 -0.98 -2.19 116.57 120.69 1s59 h LYS 206 Ca 0.23 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1s59 h LYS 206 Cb 0.32 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 1s59 h LYS 206 CO -0.01 0.63 0.01 -0.09 -0.57 0.00 0.00 179.45 179.43 1s59 h ARG 207 N -0.34 0.09 -0.37 3.15 2.43 -1.26 -1.93 114.38 116.16 1s59 h ARG 207 Ca 0.01 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1s59 h ARG 207 Cb 0.62 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1s59 h ARG 207 CO 0.02 0.06 -0.14 0.93 -1.51 0.00 0.00 179.97 179.33 1s59 h GLU 208 N 0.10 0.74 0.00 0.20 5.08 -1.01 -1.36 114.58 118.32 1s59 h GLU 208 Ca 0.14 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1s59 h GLU 208 Cb 0.18 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1s59 h GLU 208 CO -0.23 0.92 -0.11 0.82 -1.00 0.00 0.00 179.01 179.41 1s59 h ILE 209 N 0.54 0.87 0.00 3.13 2.04 -1.24 -0.25 117.51 122.60 1s59 h ILE 209 Ca 0.09 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1s59 h ILE 209 Cb 0.68 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1s59 h ILE 209 CO 0.05 0.11 -0.49 0.61 0.00 0.00 0.00 178.15 178.43 1s59 n GLY 210 N -1.07 -1.39 0.13 5.37 0.00 -0.74 -2.20 105.19 105.29 1s59 n GLY 210 Ca -0.02 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1s59 n GLY 210 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s59 n LEU 211 N -1.86 2.57 0.08 0.99 7.94 -0.51 -4.41 117.00 121.80 1s59 n LEU 211 Ca 0.04 0.19 0.06 0.00 -1.11 0.00 0.00 56.01 55.19 1s59 n LEU 211 Cb 0.39 -1.06 -0.03 0.00 0.53 0.00 0.00 43.42 43.26 1s59 n LEU 211 CO 0.35 0.78 -0.06 -0.50 -1.11 0.00 0.00 177.39 176.84 1s59 h TRP 212 N -0.13 0.00 -3.55 1.96 4.06 -1.23 -3.47 115.95 113.59 1s59 h TRP 212 Ca -0.45 0.00 -0.68 0.00 2.06 0.00 0.00 58.89 59.81 1s59 h TRP 212 Cb 1.90 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 29.88 1s59 h TRP 212 CO 0.07 0.29 -0.67 -0.06 -3.56 0.00 0.00 178.44 174.50 1s59 s PHE 213 N -3.14 3.01 0.87 0.49 0.40 -0.94 -5.09 117.98 113.58 1s59 s PHE 213 Ca -0.01 0.08 -0.13 0.00 -0.60 0.00 0.00 56.93 56.27 1s59 s PHE 213 Cb 0.09 -1.73 0.12 0.00 0.51 0.00 0.00 43.02 42.00 1s59 s PHE 213 CO 0.79 0.38 1.17 0.15 0.70 0.00 0.00 175.22 178.41 1s59 s LYS 214 N -0.87 1.48 0.00 0.44 3.01 -1.26 -4.63 119.74 117.91 1s59 s LYS 214 Ca 0.13 0.14 0.00 0.00 -1.01 0.00 0.00 55.97 55.23 1s59 s LYS 214 Cb -0.11 -1.89 0.00 0.00 -1.01 0.00 0.00 37.83 34.82 1s59 s LYS 214 CO 0.02 -1.93 0.50 -1.91 0.51 0.00 0.00 175.35 172.54 1s59 n GLU 215 N -3.55 0.00 -0.26 1.68 0.00 -1.26 -2.96 120.64 114.29 1s59 n GLU 215 Ca 0.08 0.48 -0.02 0.00 0.00 0.00 0.00 57.16 57.70 1s59 n GLU 215 Cb 0.60 -1.00 0.07 0.00 0.00 0.00 0.00 31.44 31.11 1s59 n GLU 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1s59 n GLY 216 N -0.97 2.23 0.15 8.31 0.00 -1.26 -4.22 105.19 109.42 1s59 n GLY 216 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1s59 n GLY 216 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s59 h GLU 217 N 0.61 0.36 -6.88 1.61 5.08 -1.92 -3.45 114.58 109.99 1s59 h GLU 217 Ca 0.08 -0.39 -0.53 0.00 -1.00 0.00 0.00 59.36 57.52 1s59 h GLU 217 Cb 1.15 0.11 0.08 0.00 0.50 0.00 0.00 28.75 30.59 1s59 h GLU 217 CO 0.19 1.08 0.70 -0.51 -1.00 0.00 0.00 179.01 179.47 1s59 s LEU 218 N -7.64 4.39 -0.26 1.33 1.43 -1.26 -4.82 118.68 111.85 1s59 s LEU 218 Ca -0.05 2.79 0.02 0.00 -1.03 0.00 0.00 54.13 55.87 1s59 s LEU 218 Cb 0.09 -3.65 0.06 0.00 0.03 0.00 0.00 46.19 42.72 1s59 s LEU 218 CO 0.86 -0.66 -0.08 0.00 0.23 0.00 0.00 176.35 176.70 1s59 s LYS 220 N 1.17 4.18 -0.04 0.00 -0.14 -1.26 -4.47 119.74 119.17 1s59 s LYS 220 Ca -0.06 0.73 -0.25 0.00 -1.36 0.00 0.00 55.97 55.03 1s59 s LYS 220 Cb -0.20 -3.04 0.05 0.00 -1.68 0.00 0.00 37.83 32.97 1s59 s LYS 220 CO -0.06 0.51 0.55 1.67 -0.76 0.00 0.00 175.35 177.26 1s59 s TRP 221 N -1.34 -0.49 -0.07 3.18 1.48 -1.26 -5.13 118.94 115.30 1s59 s TRP 221 Ca 0.36 0.84 -0.27 0.00 -1.06 0.00 0.00 56.10 55.98 1s59 s TRP 221 Cb -0.18 0.29 -0.03 0.00 -1.16 0.00 0.00 33.47 32.40 1s59 s TRP 221 CO 0.20 -0.52 0.86 -0.51 -4.06 0.00 0.00 176.95 172.92 1s59 s ASP 222 N -1.18 7.13 0.39 -2.66 1.01 -1.26 -5.03 116.67 115.07 1s59 s ASP 222 Ca -0.11 1.37 -0.24 0.00 0.71 0.00 0.00 52.55 54.28 1s59 s ASP 222 Cb -0.02 -2.49 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 1s59 s ASP 222 CO 0.08 -0.27 0.99 -0.55 0.21 0.00 0.00 175.17 175.63 1s59 s SER 223 N 0.98 6.96 0.36 0.27 0.15 -1.26 -4.94 113.70 116.23 1s59 s SER 223 Ca 0.44 1.88 0.19 0.00 0.70 0.00 0.00 55.95 59.16 1s59 s SER 223 Cb -0.19 -2.57 0.31 0.00 -1.71 0.00 0.00 66.02 61.87 1s59 s SER 223 CO 0.20 -0.34 1.57 0.00 1.20 0.00 0.00 173.24 175.87 1s59 h ALA 224 N 2.51 0.84 -0.03 5.45 0.00 -2.07 -3.12 119.26 122.84 1s59 h ALA 224 Ca -0.48 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1s59 h ALA 224 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1s59 h ALA 224 CO 0.63 0.35 0.00 1.28 0.00 0.00 0.00 179.25 181.51 1s59 n LEU 225 N -3.20 1.93 -0.28 0.00 4.77 -1.26 -4.54 117.00 114.42 1s59 n LEU 225 Ca 0.02 -0.65 0.23 0.00 -0.03 0.00 0.00 56.01 55.58 1s59 n LEU 225 Cb 0.61 -0.01 0.43 0.00 -2.33 0.00 0.00 43.42 42.12 1s59 n LEU 225 CO 0.37 0.33 0.84 0.00 -1.33 0.00 0.00 177.39 177.60 1s59 n ALA 226 N 0.51 0.74 0.39 -1.18 0.00 -1.18 0.23 120.51 120.02 1s59 n ALA 226 Ca 0.18 0.89 0.14 0.00 0.00 0.00 0.00 53.44 54.64 1s59 n ALA 226 Cb 0.42 -0.81 0.50 0.00 0.00 0.00 0.00 19.45 19.56 1s59 n ALA 226 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1s59 h THR 227 N 0.00 0.00 -0.01 0.00 2.02 -1.80 -2.71 112.91 110.42 1s59 h THR 227 Ca 0.67 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1s59 h THR 227 Cb 1.66 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1s59 h THR 227 CO -0.71 0.00 -0.36 0.79 0.37 0.00 0.00 175.52 175.61 1s59 n TRP 228 N -2.52 0.00 -0.05 3.16 7.02 0.61 -4.52 117.44 121.13 1s59 n TRP 228 Ca 0.02 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.29 1s59 n TRP 228 Cb 0.30 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.07 1s59 n TRP 228 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1s59 n LEU 229 N -0.53 2.60 -4.25 -0.99 4.77 -0.47 -4.97 117.00 113.15 1s59 n LEU 229 Ca 0.04 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 55.95 1s59 n LEU 229 Cb 0.24 -1.03 -0.12 0.00 -2.33 0.00 0.00 43.42 40.18 1s59 n LEU 229 CO 0.18 0.80 -0.49 -0.13 -1.33 0.00 0.00 177.39 176.42 1s59 s ARG 230 N -2.52 1.04 0.00 3.23 0.52 -1.03 -5.11 118.95 115.08 1s59 s ARG 230 Ca -0.28 -1.13 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 1s59 s ARG 230 Cb 0.08 -1.16 0.00 0.00 0.52 0.00 0.00 34.95 34.38 1s59 s ARG 230 CO 0.68 0.26 0.48 -1.91 0.02 0.00 0.00 175.30 174.83