#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3h n TYR 112 N 0.00 -1.10 -4.26 0.00 9.36 -1.26 -5.02 117.16 114.88 1c3h n TYR 112 Ca 0.00 0.78 -0.19 0.00 3.32 0.00 0.00 57.90 61.82 1c3h n TYR 112 Cb 0.00 -1.90 -0.15 0.00 -0.63 0.00 0.00 39.34 36.66 1c3h n TYR 112 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1c3h s MET 113 N -1.07 0.75 -0.68 2.98 -1.94 -1.26 -5.08 119.30 113.00 1c3h s MET 113 Ca 0.62 -0.22 -0.26 0.00 -1.71 0.00 0.00 55.69 54.12 1c3h s MET 113 Cb -0.77 -0.72 -0.02 0.00 2.01 0.00 0.00 34.83 35.32 1c3h s MET 113 CO 0.59 0.07 1.84 0.71 -0.01 0.00 0.00 175.02 178.22 1c3h s TYR 114 N 0.27 1.73 0.01 -0.03 2.02 -1.26 -4.93 117.35 115.16 1c3h s TYR 114 Ca -0.04 0.69 0.05 0.00 -0.37 0.00 0.00 57.07 57.41 1c3h s TYR 114 Cb -0.08 -4.12 -0.02 0.00 -0.40 0.00 0.00 41.96 37.34 1c3h s TYR 114 CO 0.00 -2.19 -0.16 1.03 -1.57 0.00 0.00 175.55 172.66 1c3h s ARG 115 N 6.94 1.23 -0.30 -0.62 0.52 -1.26 -4.95 118.95 120.51 1c3h s ARG 115 Ca 0.66 -0.68 -0.10 0.00 -0.52 0.00 0.00 55.73 55.09 1c3h s ARG 115 Cb -0.11 -1.23 0.14 0.00 0.52 0.00 0.00 34.95 34.27 1c3h s ARG 115 CO 0.16 0.33 0.70 0.45 0.02 0.00 0.00 175.30 176.96 1c3h s SER 116 N -0.68 -1.08 0.05 0.23 0.15 -1.26 -4.95 113.70 106.16 1c3h s SER 116 Ca 0.05 1.40 -0.26 0.00 0.70 0.00 0.00 55.95 57.84 1c3h s SER 116 Cb -0.07 2.19 0.07 0.00 -1.71 0.00 0.00 66.02 66.50 1c3h s SER 116 CO 0.00 -0.21 0.61 0.00 1.20 0.00 0.00 173.24 174.85 1c3h s ALA 117 N 2.83 -1.60 -0.01 5.45 0.00 -1.26 0.07 121.76 127.24 1c3h s ALA 117 Ca -0.03 0.84 -0.24 0.00 0.00 0.00 0.00 51.96 52.53 1c3h s ALA 117 Cb -0.11 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.48 1c3h s ALA 117 CO -0.19 -0.55 0.53 -0.59 0.00 0.00 0.00 175.76 174.96 1c3h s PHE 118 N -2.44 -0.45 -0.16 0.00 -0.12 0.10 -4.41 117.98 110.51 1c3h s PHE 118 Ca -0.05 0.67 -0.05 0.00 -0.05 0.00 0.00 56.93 57.45 1c3h s PHE 118 Cb -0.01 0.30 0.08 0.00 -0.63 0.00 0.00 43.02 42.77 1c3h s PHE 118 CO -0.01 -0.57 0.30 0.45 -0.05 0.00 0.00 175.22 175.34 1c3h s SER 119 N -1.51 0.29 0.06 1.98 0.15 0.13 -1.29 113.70 113.50 1c3h s SER 119 Ca -0.10 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1c3h s SER 119 Cb -0.02 0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 65.10 1c3h s SER 119 CO 0.04 -0.25 -0.04 0.68 1.20 0.00 0.00 173.24 174.87 1c3h s VAL 120 N 2.46 0.35 0.07 4.45 -7.23 -0.45 -0.54 120.40 119.52 1c3h s VAL 120 Ca 0.02 -1.65 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1c3h s VAL 120 Cb -0.12 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 1c3h s VAL 120 CO -0.10 -0.84 0.07 0.61 -0.31 0.00 0.00 175.10 174.52 1c3h n GLY 121 N 0.41 3.73 0.06 2.32 0.00 0.23 -0.53 105.19 111.39 1c3h n GLY 121 Ca -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1c3h n GLY 121 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c3h n LEU 122 N 0.00 1.84 0.00 0.99 4.77 -0.86 -1.37 117.00 122.37 1c3h n LEU 122 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1c3h n LEU 122 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1c3h n LEU 122 CO 0.07 0.30 0.00 1.21 -1.33 0.00 0.00 177.39 177.64 1c3h n GLU 123 N -2.17 0.00 0.00 3.23 2.13 -1.26 -4.82 120.64 117.75 1c3h n GLU 123 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1c3h n GLU 123 Cb 0.32 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.09 1c3h n GLU 123 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1c3h n THR 124 N -2.00 0.00 0.00 6.31 5.66 -1.24 -3.35 114.28 119.65 1c3h n THR 124 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1c3h n THR 124 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1c3h n THR 124 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1c3h n ARG 125 N -0.29 0.00 -1.52 1.09 -4.01 -1.26 -5.10 116.66 105.58 1c3h n ARG 125 Ca 0.00 0.00 -0.33 0.00 -1.04 0.00 0.00 57.85 56.48 1c3h n ARG 125 Cb 0.00 0.00 -0.13 0.00 -3.04 0.00 0.00 32.46 29.29 1c3h n ARG 125 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1c3h n VAL 126 N 0.00 -0.02 -0.02 8.89 0.31 -1.26 -4.46 118.33 121.77 1c3h n VAL 126 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1c3h n VAL 126 Cb 0.00 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1c3h n VAL 126 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1c3h n THR 127 N 7.39 0.00 -3.09 2.52 -2.24 -1.26 -2.31 114.28 115.29 1c3h n THR 127 Ca 0.57 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.94 1c3h n THR 127 Cb 0.23 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 1c3h n THR 127 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1c3h s VAL 128 N 0.00 4.96 0.67 2.28 1.01 -1.26 -4.86 120.40 123.19 1c3h s VAL 128 Ca 0.00 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.07 1c3h s VAL 128 Cb 0.00 -3.97 0.09 0.00 0.00 0.00 0.00 36.38 32.51 1c3h s VAL 128 CO 0.00 -0.02 0.93 -2.16 0.00 0.00 0.00 175.10 173.85 1c3h s PRO 129 N 2.56 1.99 0.00 2.72 0.04 -1.26 -4.49 135.00 136.56 1c3h s PRO 129 Ca 0.27 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.40 1c3h s PRO 129 Cb -0.15 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1c3h s PRO 129 CO 0.09 -1.21 0.00 0.09 0.04 0.00 0.00 177.00 176.01 1c3h n ASN 130 N -2.70 -1.75 -4.34 6.66 3.02 0.65 -4.94 115.26 111.85 1c3h n ASN 130 Ca 0.12 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.49 1c3h n ASN 130 Cb 0.60 -2.61 -0.10 0.00 -0.61 0.00 0.00 39.78 37.06 1c3h n ASN 130 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1c3h s VAL 131 N -1.17 1.73 0.14 2.41 -7.23 -1.26 -5.00 120.40 110.02 1c3h s VAL 131 Ca 0.00 -2.19 -0.31 0.00 -1.81 0.00 0.00 61.98 57.66 1c3h s VAL 131 Cb 0.00 -2.03 -0.10 0.00 0.56 0.00 0.00 36.38 34.82 1c3h s VAL 131 CO 0.00 -0.58 1.59 -2.84 -0.31 0.00 0.00 175.10 172.95 1c3h s PRO 132 N -3.60 4.21 -0.10 4.82 0.02 -1.26 -4.36 135.00 134.74 1c3h s PRO 132 Ca 0.22 2.35 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 1c3h s PRO 132 Cb -0.01 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1c3h s PRO 132 CO 0.07 -0.64 1.49 0.42 -0.33 0.00 0.00 177.00 178.01 1c3h s ILE 133 N 1.53 3.86 -0.60 2.83 1.01 0.09 -4.79 121.20 125.13 1c3h s ILE 133 Ca 0.71 1.05 -0.17 0.00 0.00 0.00 0.00 60.65 62.24 1c3h s ILE 133 Cb -0.43 -3.68 0.13 0.00 0.01 0.00 0.00 42.46 38.50 1c3h s ILE 133 CO 0.31 -0.09 0.60 0.00 0.00 0.00 0.00 174.94 175.76 1c3h s ARG 134 N 3.77 3.09 0.12 2.79 1.70 -1.26 -4.50 118.95 124.65 1c3h s ARG 134 Ca 0.66 -1.70 -0.30 0.00 -0.47 0.00 0.00 55.73 53.92 1c3h s ARG 134 Cb -0.29 -4.32 -0.06 0.00 -0.57 0.00 0.00 34.95 29.71 1c3h s ARG 134 CO 0.24 -1.39 1.07 -0.06 -1.08 0.00 0.00 175.30 174.07 1c3h s PHE 135 N 1.74 3.63 -0.10 5.89 0.08 -1.26 -4.93 117.98 123.02 1c3h s PHE 135 Ca 0.08 1.61 0.02 0.00 0.12 0.00 0.00 56.93 58.76 1c3h s PHE 135 Cb -0.26 -3.23 -0.02 0.00 -0.57 0.00 0.00 43.02 38.94 1c3h s PHE 135 CO 0.02 -0.45 0.09 0.25 -0.10 0.00 0.00 175.22 175.03 1c3h n THR 136 N 2.94 0.00 -2.87 0.64 -2.24 -0.84 -4.55 114.28 107.36 1c3h n THR 136 Ca 0.04 -0.44 -0.43 0.00 -2.27 0.00 0.00 64.05 60.95 1c3h n THR 136 Cb 0.48 0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 69.65 1c3h n THR 136 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1c3h s LYS 137 N -1.23 3.72 -0.39 -0.78 2.20 -0.47 -4.92 119.74 117.87 1c3h s LYS 137 Ca 0.01 0.36 -0.17 0.00 -0.36 0.00 0.00 55.97 55.81 1c3h s LYS 137 Cb 0.02 -3.84 0.01 0.00 -1.51 0.00 0.00 37.83 32.51 1c3h s LYS 137 CO 0.09 -0.98 0.43 0.42 -0.36 0.00 0.00 175.35 174.95 1c3h s ILE 138 N 3.40 5.09 -0.02 5.43 1.09 -1.26 0.74 121.20 135.66 1c3h s ILE 138 Ca 0.35 -0.12 0.05 0.00 -1.10 0.00 0.00 60.65 59.83 1c3h s ILE 138 Cb -0.12 -3.97 -0.24 0.00 -1.06 0.00 0.00 42.46 37.07 1c3h s ILE 138 CO 0.20 -0.30 0.74 -0.26 -0.10 0.00 0.00 174.94 175.22 1c3h h PHE 139 N 8.62 0.19 -1.66 3.97 -1.00 -1.18 -3.47 116.94 122.41 1c3h h PHE 139 Ca -0.28 -0.14 0.07 0.00 2.81 0.00 0.00 57.97 60.44 1c3h h PHE 139 Cb 1.12 -0.01 -0.25 0.00 3.61 0.00 0.00 35.95 40.42 1c3h h PHE 139 CO 0.66 1.22 0.33 -0.47 -1.61 0.00 0.00 178.31 178.44 1c3h s TYR 140 N -2.61 -0.64 -0.25 -0.55 5.04 -0.42 -4.92 117.35 112.99 1c3h s TYR 140 Ca -0.08 1.37 0.09 0.00 -2.44 0.00 0.00 57.07 56.01 1c3h s TYR 140 Cb 0.08 0.40 0.28 0.00 0.35 0.00 0.00 41.96 43.07 1c3h s TYR 140 CO 0.82 -0.31 1.23 -1.71 -1.34 0.00 0.00 175.55 174.24 1c3h n ASN 141 N 3.27 -1.10 -0.29 4.32 5.15 -1.26 0.18 115.26 125.53 1c3h n ASN 141 Ca -0.17 -1.89 0.12 0.00 -0.60 0.00 0.00 54.58 52.04 1c3h n ASN 141 Cb 0.57 0.55 0.28 0.00 -0.53 0.00 0.00 39.78 40.65 1c3h n ASN 141 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1c3h h GLN 142 N 0.83 0.30 -0.00 1.20 5.75 -1.97 0.14 115.11 121.36 1c3h h GLN 142 Ca -0.32 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1c3h h GLN 142 Cb 1.22 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1c3h h GLN 142 CO -0.13 0.20 -0.10 1.04 -2.65 0.00 0.00 178.83 177.19 1c3h n GLN 143 N -5.13 0.46 -2.81 1.69 3.00 -1.26 -4.91 117.38 108.42 1c3h n GLN 143 Ca 0.20 -0.12 -0.22 0.00 -0.01 0.00 0.00 57.00 56.86 1c3h n GLN 143 Cb 0.62 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.38 1c3h n GLN 143 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1c3h n ASN 144 N -1.16 -5.91 0.15 1.08 5.03 0.49 -4.85 115.26 110.08 1c3h n ASN 144 Ca 0.13 -0.19 0.12 0.00 0.87 0.00 0.00 54.58 55.51 1c3h n ASN 144 Cb 0.28 -4.83 0.26 0.00 -1.02 0.00 0.00 39.78 34.47 1c3h n ASN 144 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.26 175.88 1c3h h HIS 145 N -0.87 0.00 -2.74 3.10 3.86 -1.88 -3.43 115.15 113.19 1c3h h HIS 145 Ca -0.51 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.05 1c3h h HIS 145 Cb 1.36 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.77 1c3h h HIS 145 CO 0.55 0.00 -0.43 -0.47 0.86 0.00 0.00 177.93 178.44 1c3h s TYR 146 N -3.17 3.61 -0.26 2.45 5.04 -1.26 -0.79 117.35 122.96 1c3h s TYR 146 Ca 0.08 0.58 0.02 0.00 -2.44 0.00 0.00 57.07 55.31 1c3h s TYR 146 Cb 0.09 -1.98 0.06 0.00 0.35 0.00 0.00 41.96 40.48 1c3h s TYR 146 CO 0.65 0.70 -0.09 0.34 -1.34 0.00 0.00 175.55 175.81 1c3h s ASP 147 N -1.23 4.31 0.57 4.32 2.15 -0.44 -4.99 116.67 121.37 1c3h s ASP 147 Ca 0.19 -1.36 0.32 0.00 0.43 0.00 0.00 52.55 52.13 1c3h s ASP 147 Cb -0.13 -1.46 1.71 0.00 -0.30 0.00 0.00 42.92 42.74 1c3h s ASP 147 CO 0.09 -0.21 2.16 1.23 -0.17 0.00 0.00 175.17 178.27 1c3h h GLY 148 N 7.81 0.00 2.00 2.66 0.00 -1.87 0.41 103.07 114.09 1c3h h GLY 148 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1c3h h GLY 148 CO 0.45 0.00 -0.37 1.76 0.00 0.00 0.00 176.54 178.38 1c3h h SER 149 N 0.00 0.00 0.00 0.19 0.02 -1.94 -3.27 113.55 108.56 1c3h h SER 149 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1c3h h SER 149 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1c3h h SER 149 CO 0.01 0.37 -1.02 0.35 -1.14 0.00 0.00 176.83 175.40 1c3h n THR 150 N -4.10 0.00 -1.08 -2.27 -2.24 -0.90 -5.00 114.28 98.69 1c3h n THR 150 Ca -0.02 -0.20 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 1c3h n THR 150 Cb 0.40 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 69.15 1c3h n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c3h n GLY 151 N 1.86 0.61 3.56 3.38 0.00 0.14 -4.69 105.19 110.04 1c3h n GLY 151 Ca -0.01 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1c3h n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3h s LYS 152 N -1.73 2.18 -0.13 1.61 1.02 -1.17 -4.52 119.74 116.99 1c3h s LYS 152 Ca 0.00 -0.97 -0.10 0.00 0.02 0.00 0.00 55.97 54.92 1c3h s LYS 152 Cb 0.00 -2.31 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 1c3h s LYS 152 CO 0.00 0.53 0.20 0.12 -0.92 0.00 0.00 175.35 175.28 1c3h s PHE 153 N -1.12 3.54 -0.20 3.18 5.36 0.42 -1.32 117.98 127.83 1c3h s PHE 153 Ca 0.19 0.55 -0.02 0.00 -0.96 0.00 0.00 56.93 56.69 1c3h s PHE 153 Cb -0.11 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 1c3h s PHE 153 CO 0.11 0.51 -0.10 0.71 -1.46 0.00 0.00 175.22 174.99 1c3h s TYR 154 N -0.38 2.89 -0.08 10.12 2.02 0.02 -1.44 117.35 130.51 1c3h s TYR 154 Ca 0.14 -1.14 -0.30 0.00 -0.37 0.00 0.00 57.07 55.40 1c3h s TYR 154 Cb -0.13 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1c3h s TYR 154 CO 0.04 -0.61 1.38 0.00 -1.57 0.00 0.00 175.55 174.78 1c3h n ASN 156 N 6.22 1.92 -3.67 0.00 4.13 -1.26 -0.66 115.26 121.94 1c3h n ASN 156 Ca 0.14 -1.58 -0.14 0.00 1.68 0.00 0.00 54.58 54.68 1c3h n ASN 156 Cb 0.44 -0.05 -0.14 0.00 -1.54 0.00 0.00 39.78 38.49 1c3h n ASN 156 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1c3h s ILE 157 N -0.71 -0.33 0.21 2.41 1.01 -1.26 -4.93 121.20 117.60 1c3h s ILE 157 Ca 0.09 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.72 1c3h s ILE 157 Cb 0.05 -0.40 -0.09 0.00 0.01 0.00 0.00 42.46 42.03 1c3h s ILE 157 CO 0.08 0.12 1.24 -2.16 0.00 0.00 0.00 174.94 174.21 1c3h s PRO 158 N 2.23 4.45 0.00 2.79 0.04 -1.26 -4.74 135.00 138.51 1c3h s PRO 158 Ca 0.00 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1c3h s PRO 158 Cb -0.12 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1c3h s PRO 158 CO -0.08 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1c3h n GLY 159 N 2.01 -1.16 3.65 0.56 0.00 -0.73 -0.97 105.19 108.56 1c3h n GLY 159 Ca 0.04 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 1c3h n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c3h s LEU 160 N 0.00 4.12 0.14 0.99 0.20 0.92 -0.72 118.68 124.33 1c3h s LEU 160 Ca 0.00 0.41 0.08 0.00 0.69 0.00 0.00 54.13 55.31 1c3h s LEU 160 Cb 0.00 -2.45 -0.04 0.00 -0.43 0.00 0.00 46.19 43.27 1c3h s LEU 160 CO 0.00 -0.10 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.56 1c3h s TYR 161 N 1.51 2.69 -0.10 5.38 1.51 -0.07 0.80 117.35 129.07 1c3h s TYR 161 Ca 0.17 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 1c3h s TYR 161 Cb -0.15 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 1c3h s TYR 161 CO 0.08 0.47 -0.11 -0.47 -1.11 0.00 0.00 175.55 174.41 1c3h s TYR 162 N -1.46 2.84 0.03 2.71 5.04 -0.48 -1.05 117.35 124.99 1c3h s TYR 162 Ca 0.23 -0.30 0.06 0.00 -2.44 0.00 0.00 57.07 54.62 1c3h s TYR 162 Cb -0.10 -1.77 -0.02 0.00 0.35 0.00 0.00 41.96 40.42 1c3h s TYR 162 CO 0.15 0.05 -0.18 -0.06 -1.34 0.00 0.00 175.55 174.17 1c3h s PHE 163 N -0.21 1.58 -0.11 4.97 0.40 0.28 -1.63 117.98 123.26 1c3h s PHE 163 Ca 0.02 -0.35 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 1c3h s PHE 163 Cb -0.13 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.47 1c3h s PHE 163 CO 0.03 0.05 0.31 0.45 0.70 0.00 0.00 175.22 176.76 1c3h s SER 164 N -1.01 -0.31 0.02 1.36 0.15 0.01 -1.19 113.70 112.73 1c3h s SER 164 Ca 0.06 0.58 -0.12 0.00 0.70 0.00 0.00 55.95 57.16 1c3h s SER 164 Cb -0.08 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.85 1c3h s SER 164 CO 0.01 -0.14 0.26 -0.72 1.20 0.00 0.00 173.24 173.86 1c3h s TYR 165 N 0.04 -0.08 -0.23 3.44 -0.85 -0.48 0.32 117.35 119.51 1c3h s TYR 165 Ca -0.01 -0.01 -0.03 0.00 -0.52 0.00 0.00 57.07 56.50 1c3h s TYR 165 Cb -0.02 0.05 0.11 0.00 0.38 0.00 0.00 41.96 42.47 1c3h s TYR 165 CO 0.01 -0.43 0.23 -1.01 -1.52 0.00 0.00 175.55 172.83 1c3h s HIS 166 N -2.07 -0.28 0.14 -3.49 3.76 -0.11 -1.70 115.29 111.55 1c3h s HIS 166 Ca -0.09 0.03 0.06 0.00 -0.15 0.00 0.00 55.06 54.92 1c3h s HIS 166 Cb -0.03 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.19 1c3h s HIS 166 CO -0.01 -0.70 -0.15 0.96 -0.85 0.00 0.00 174.74 173.99 1c3h s ILE 167 N 2.32 1.46 -0.20 0.60 -4.36 0.53 0.24 121.20 121.78 1c3h s ILE 167 Ca 0.08 -1.83 -0.01 0.00 -0.26 0.00 0.00 60.65 58.62 1c3h s ILE 167 Cb -0.15 -1.67 0.01 0.00 1.25 0.00 0.00 42.46 41.90 1c3h s ILE 167 CO -0.19 -0.44 -0.13 -0.89 0.24 0.00 0.00 174.94 173.53 1c3h s THR 168 N -2.30 2.65 -0.17 8.37 2.01 -1.26 -1.10 115.64 123.85 1c3h s THR 168 Ca 0.12 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.33 1c3h s THR 168 Cb -0.04 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1c3h s THR 168 CO 0.04 0.47 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.69 1c3h s VAL 169 N 1.37 3.60 -0.96 3.82 1.01 0.40 -4.61 120.40 125.02 1c3h s VAL 169 Ca 0.05 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1c3h s VAL 169 Cb -0.14 -2.58 0.22 0.00 0.00 0.00 0.00 36.38 33.89 1c3h s VAL 169 CO -0.08 0.48 0.98 -0.31 0.00 0.00 0.00 175.10 176.17 1c3h s TYR 170 N 0.63 3.81 -0.11 5.22 2.02 -0.98 0.36 117.35 128.32 1c3h s TYR 170 Ca -0.03 -2.14 -0.33 0.00 -0.37 0.00 0.00 57.07 54.19 1c3h s TYR 170 Cb -0.15 -3.93 0.15 0.00 -0.40 0.00 0.00 41.96 37.63 1c3h s TYR 170 CO 0.02 -1.08 1.42 0.00 -1.57 0.00 0.00 175.55 174.34 1c3h s MET 171 N 0.19 0.06 0.43 -0.62 0.23 0.42 -4.70 119.30 115.31 1c3h s MET 171 Ca 0.26 -0.03 -0.08 0.00 -1.03 0.00 0.00 55.69 54.80 1c3h s MET 171 Cb -0.09 0.02 -0.05 0.00 -1.53 0.00 0.00 34.83 33.18 1c3h s MET 171 CO -0.08 -0.03 0.77 -1.59 -2.03 0.00 0.00 175.02 172.06 1c3h s LYS 172 N -2.07 3.67 -0.95 3.16 0.00 0.21 -3.91 119.74 119.85 1c3h s LYS 172 Ca 0.14 0.35 -0.21 0.00 0.00 0.00 0.00 55.97 56.25 1c3h s LYS 172 Cb 0.07 -2.39 0.03 0.00 0.00 0.00 0.00 37.83 35.53 1c3h s LYS 172 CO -0.06 -0.10 0.57 -3.47 0.00 0.00 0.00 175.35 172.29 1c3h n ASP 173 N -1.69 -3.76 -4.76 0.03 4.64 -1.26 -1.26 116.55 108.49 1c3h n ASP 173 Ca 0.02 -1.05 -0.40 0.00 -1.38 0.00 0.00 54.79 51.98 1c3h n ASP 173 Cb 0.54 -1.38 -0.06 0.00 -1.04 0.00 0.00 41.12 39.19 1c3h n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1c3h s VAL 174 N -3.43 4.18 -0.05 5.18 1.01 -1.26 -4.19 120.40 121.84 1c3h s VAL 174 Ca 0.29 1.94 0.02 0.00 0.00 0.00 0.00 61.98 64.23 1c3h s VAL 174 Cb -0.16 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 31.98 1c3h s VAL 174 CO 0.83 0.51 -0.09 -0.54 0.00 0.00 0.00 175.10 175.81 1c3h s LYS 175 N -1.18 1.29 -0.10 2.72 1.02 0.65 -4.45 119.74 119.70 1c3h s LYS 175 Ca 0.39 -0.28 -0.00 0.00 0.02 0.00 0.00 55.97 56.10 1c3h s LYS 175 Cb -0.25 -1.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.90 1c3h s LYS 175 CO 0.30 -0.01 -0.08 0.08 -0.92 0.00 0.00 175.35 174.72 1c3h s VAL 176 N 0.71 3.56 -0.05 3.17 1.01 0.16 -0.51 120.40 128.45 1c3h s VAL 176 Ca -0.13 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1c3h s VAL 176 Cb -0.15 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1c3h s VAL 176 CO 0.02 0.56 -0.14 -0.44 0.00 0.00 0.00 175.10 175.11 1c3h s SER 177 N -0.32 1.84 -0.25 3.32 0.01 0.36 0.73 113.70 119.39 1c3h s SER 177 Ca 0.04 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.88 1c3h s SER 177 Cb -0.13 -0.69 -0.05 0.00 0.21 0.00 0.00 66.02 65.36 1c3h s SER 177 CO 0.02 0.08 0.21 -0.22 0.41 0.00 0.00 173.24 173.74 1c3h s LEU 178 N 0.38 4.08 -0.05 2.44 1.98 -0.17 -0.75 118.68 126.60 1c3h s LEU 178 Ca -0.10 0.13 -0.02 0.00 -2.89 0.00 0.00 54.13 51.25 1c3h s LEU 178 Cb -0.13 -2.18 -0.04 0.00 0.66 0.00 0.00 46.19 44.50 1c3h s LEU 178 CO 0.03 -0.01 0.08 -0.36 -1.89 0.00 0.00 176.35 174.20 1c3h s PHE 179 N 1.39 3.33 -0.10 5.38 0.40 0.18 -1.09 117.98 127.46 1c3h s PHE 179 Ca 0.09 0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 56.70 1c3h s PHE 179 Cb -0.15 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.61 1c3h s PHE 179 CO 0.07 0.57 -0.07 0.21 0.70 0.00 0.00 175.22 176.71 1c3h s LYS 180 N -1.36 1.41 0.00 0.44 2.20 -0.67 -1.46 119.74 120.30 1c3h s LYS 180 Ca 0.19 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.58 1c3h s LYS 180 Cb -0.12 -1.48 0.00 0.00 -1.51 0.00 0.00 37.83 34.72 1c3h s LYS 180 CO 0.09 -0.25 0.00 1.63 -0.36 0.00 0.00 175.35 176.46 1c3h n LYS 181 N 4.86 0.00 0.00 4.03 5.02 0.24 -2.50 118.16 129.81 1c3h n LYS 181 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1c3h n LYS 181 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1c3h n LYS 181 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1c3h n ASP 182 N 2.55 0.00 -4.13 4.39 3.85 -1.26 -4.73 116.55 117.21 1c3h n ASP 182 Ca 0.00 -1.00 -0.12 0.00 -0.71 0.00 0.00 54.79 52.96 1c3h n ASP 182 Cb 0.00 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 39.66 1c3h n ASP 182 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1c3h s LYS 183 N 0.00 0.73 -0.02 0.11 -2.85 -1.04 -5.12 119.74 111.55 1c3h s LYS 183 Ca 0.00 -1.13 -0.30 0.00 -1.00 0.00 0.00 55.97 53.54 1c3h s LYS 183 Cb 0.00 -0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.46 1c3h s LYS 183 CO 0.00 0.01 1.46 0.00 0.10 0.00 0.00 175.35 176.92 1c3h s ALA 184 N -2.79 3.61 -0.17 0.59 0.00 -1.26 -1.67 121.76 120.06 1c3h s ALA 184 Ca 0.04 0.89 0.18 0.00 0.00 0.00 0.00 51.96 53.07 1c3h s ALA 184 Cb -0.00 -3.63 -0.26 0.00 0.00 0.00 0.00 23.12 19.23 1c3h s ALA 184 CO -0.03 -1.03 0.13 1.55 0.00 0.00 0.00 175.76 176.37 1c3h n VAL 185 N 4.86 1.15 -4.63 0.00 3.14 -0.25 -4.92 118.33 117.69 1c3h n VAL 185 Ca 0.14 -0.78 -0.24 0.00 -2.96 0.00 0.00 64.34 60.49 1c3h n VAL 185 Cb 0.43 -0.40 -0.16 0.00 -1.06 0.00 0.00 33.84 32.65 1c3h n VAL 185 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1c3h s LEU 186 N -5.31 1.77 -0.14 6.55 1.98 -1.08 -5.01 118.68 117.45 1c3h s LEU 186 Ca -0.09 -0.29 -0.01 0.00 -2.89 0.00 0.00 54.13 50.85 1c3h s LEU 186 Cb 0.07 -0.82 0.03 0.00 0.66 0.00 0.00 46.19 46.14 1c3h s LEU 186 CO 0.82 0.08 -0.06 0.12 -1.89 0.00 0.00 176.35 175.42 1c3h s PHE 187 N 0.35 1.53 -0.15 5.38 2.19 -1.26 -1.00 117.98 125.02 1c3h s PHE 187 Ca -0.09 -0.87 -0.03 0.00 0.33 0.00 0.00 56.93 56.27 1c3h s PHE 187 Cb -0.13 -1.24 -0.03 0.00 -1.31 0.00 0.00 43.02 40.31 1c3h s PHE 187 CO 0.03 -0.55 -0.05 0.99 1.83 0.00 0.00 175.22 177.46 1c3h s THR 188 N 1.69 3.77 -0.41 0.12 2.01 0.22 -4.97 115.64 118.08 1c3h s THR 188 Ca 0.03 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.68 1c3h s THR 188 Cb -0.14 -2.64 0.19 0.00 0.01 0.00 0.00 72.50 69.92 1c3h s THR 188 CO -0.08 0.50 0.38 0.00 -0.69 0.00 0.00 174.62 174.74 1c3h n TYR 189 N 3.49 -0.77 -1.56 4.92 9.36 -1.26 0.40 117.16 131.74 1c3h n TYR 189 Ca -0.17 -3.37 -0.48 0.00 3.32 0.00 0.00 57.90 57.20 1c3h n TYR 189 Cb 0.53 0.12 -0.05 0.00 -0.63 0.00 0.00 39.34 39.30 1c3h n TYR 189 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1c3h n ASP 190 N 2.50 2.82 0.03 2.98 8.00 -1.26 -4.81 116.55 126.80 1c3h n ASP 190 Ca 0.28 0.51 0.11 0.00 0.71 0.00 0.00 54.79 56.40 1c3h n ASP 190 Cb 0.49 -1.37 0.47 0.00 -0.02 0.00 0.00 41.12 40.68 1c3h n ASP 190 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c3h n GLN 191 N 7.91 0.06 -2.10 -1.24 10.64 -1.26 -3.68 117.38 127.71 1c3h n GLN 191 Ca 0.33 0.17 -0.39 0.00 -1.83 0.00 0.00 57.00 55.27 1c3h n GLN 191 Cb 0.31 -1.58 0.03 0.00 -0.86 0.00 0.00 30.24 28.14 1c3h n GLN 191 CO 0.00 0.00 0.00 2.48 -1.83 0.00 0.00 177.06 177.71 1c3h n TYR 192 N -1.68 2.98 -3.20 2.61 -0.00 -1.26 -4.98 117.16 111.63 1c3h n TYR 192 Ca 0.05 -2.44 -0.40 0.00 -0.00 0.00 0.00 57.90 55.11 1c3h n TYR 192 Cb 0.28 -1.12 -0.07 0.00 -0.00 0.00 0.00 39.34 38.43 1c3h n TYR 192 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1c3h s GLN 193 N -4.09 3.99 -0.07 -3.48 -0.21 -1.24 -5.03 119.66 109.53 1c3h s GLN 193 Ca 0.49 0.28 0.02 0.00 0.02 0.00 0.00 55.36 56.17 1c3h s GLN 193 Cb 0.39 -3.69 -0.03 0.00 1.00 0.00 0.00 33.01 30.69 1c3h s GLN 193 CO -0.35 -0.44 -0.11 -1.83 -2.12 0.00 0.00 175.29 170.45 1c3h s GLU 194 N 2.40 2.72 2.66 2.91 4.04 -1.26 -5.02 118.70 127.15 1c3h s GLU 194 Ca 0.22 -0.62 0.00 0.00 0.04 0.00 0.00 54.97 54.61 1c3h s GLU 194 Cb -0.15 -2.51 0.00 0.00 0.02 0.00 0.00 34.13 31.48 1c3h s GLU 194 CO 0.10 0.60 0.00 0.36 -1.84 0.00 0.00 175.26 174.48 1c3h n LYS 195 N 2.41 0.00 -1.13 -4.83 -0.00 -1.26 -3.57 118.16 109.78 1c3h n LYS 195 Ca -0.18 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.87 1c3h n LYS 195 Cb 0.53 0.00 0.08 0.00 -0.00 0.00 0.00 35.03 35.64 1c3h n LYS 195 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1c3h n ASN 196 N -2.92 6.39 -3.81 -5.58 2.04 -1.26 -4.81 115.26 105.30 1c3h n ASN 196 Ca 0.00 -3.48 -0.19 0.00 -0.44 0.00 0.00 54.58 50.47 1c3h n ASN 196 Cb 0.00 -0.95 -0.17 0.00 -2.53 0.00 0.00 39.78 36.13 1c3h n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1c3h s VAL 197 N -3.63 0.27 -0.05 3.53 1.01 -1.23 -0.44 120.40 119.86 1c3h s VAL 197 Ca 0.51 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.61 1c3h s VAL 197 Cb 0.41 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 36.41 1c3h s VAL 197 CO 0.02 0.19 -0.17 -0.62 0.00 0.00 0.00 175.10 174.52 1c3h s ASP 198 N 1.29 2.15 -0.37 3.32 2.15 0.16 -4.31 116.67 121.05 1c3h s ASP 198 Ca -0.06 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 52.58 1c3h s ASP 198 Cb -0.13 -0.67 0.10 0.00 -0.30 0.00 0.00 42.92 41.92 1c3h s ASP 198 CO -0.02 0.14 0.11 -1.58 -0.17 0.00 0.00 175.17 173.65 1c3h s GLN 199 N 0.14 1.68 0.07 4.34 0.74 -1.26 0.15 119.66 125.52 1c3h s GLN 199 Ca -0.06 -1.87 0.03 0.00 0.05 0.00 0.00 55.36 53.51 1c3h s GLN 199 Cb -0.12 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 1c3h s GLN 199 CO 0.03 -0.99 0.07 0.00 -0.55 0.00 0.00 175.29 173.85 1c3h s ALA 200 N 0.97 3.54 0.06 1.58 0.00 -0.26 -4.94 121.76 122.72 1c3h s ALA 200 Ca 0.10 -1.01 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 1c3h s ALA 200 Cb -0.20 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.49 1c3h s ALA 200 CO -0.07 0.74 0.16 -1.54 0.00 0.00 0.00 175.76 175.06 1c3h s SER 201 N -2.32 0.13 -0.07 0.00 1.04 -1.26 -0.35 113.70 110.87 1c3h s SER 201 Ca 0.28 -0.58 -0.31 0.00 0.48 0.00 0.00 55.95 55.82 1c3h s SER 201 Cb -0.12 0.30 0.12 0.00 0.10 0.00 0.00 66.02 66.41 1c3h s SER 201 CO 0.21 -0.64 1.08 -0.83 0.98 0.00 0.00 173.24 174.04 1c3h s GLY 202 N -2.53 -0.36 -0.01 7.32 0.00 -0.69 -4.98 107.32 106.05 1c3h s GLY 202 Ca 0.01 1.15 -0.15 0.00 0.00 0.00 0.00 44.72 45.73 1c3h s GLY 202 CO -0.08 0.37 0.31 -1.35 0.00 0.00 0.00 173.10 172.35 1c3h s SER 203 N -2.45 -0.19 0.01 1.64 1.04 -1.26 -1.38 113.70 111.11 1c3h s SER 203 Ca 0.09 0.09 -0.28 0.00 0.48 0.00 0.00 55.95 56.32 1c3h s SER 203 Cb -0.00 0.31 0.10 0.00 0.10 0.00 0.00 66.02 66.53 1c3h s SER 203 CO -0.06 -0.44 0.86 0.54 0.98 0.00 0.00 173.24 175.12 1c3h s VAL 204 N -1.31 0.00 -0.14 5.02 0.11 -0.33 -4.98 120.40 118.76 1c3h s VAL 204 Ca -0.13 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.88 1c3h s VAL 204 Cb -0.05 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1c3h s VAL 204 CO 0.04 0.00 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.02 1c3h s LEU 205 N -2.49 3.30 -0.04 2.54 1.43 -1.26 -0.55 118.68 121.60 1c3h s LEU 205 Ca 0.05 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1c3h s LEU 205 Cb -0.01 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.44 1c3h s LEU 205 CO -0.09 0.20 -0.07 -0.76 0.23 0.00 0.00 176.35 175.86 1c3h s LEU 206 N 0.16 1.51 -0.01 1.79 1.43 -0.21 -4.96 118.68 118.39 1c3h s LEU 206 Ca -0.01 -0.17 -0.25 0.00 -1.03 0.00 0.00 54.13 52.67 1c3h s LEU 206 Cb -0.14 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1c3h s LEU 206 CO 0.03 -0.01 0.77 -2.28 0.23 0.00 0.00 176.35 175.09 1c3h s HIS 207 N 0.68 3.66 0.13 0.29 5.65 -1.26 -0.89 115.29 123.55 1c3h s HIS 207 Ca -0.10 1.41 0.08 0.00 0.25 0.00 0.00 55.06 56.70 1c3h s HIS 207 Cb -0.13 -2.86 -0.04 0.00 -1.18 0.00 0.00 32.58 28.37 1c3h s HIS 207 CO 0.01 0.16 -0.19 -0.51 -0.65 0.00 0.00 174.74 173.55 1c3h s LEU 208 N 0.45 2.37 0.26 8.88 1.43 0.10 -4.97 118.68 127.19 1c3h s LEU 208 Ca 0.40 -0.77 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 1c3h s LEU 208 Cb -0.19 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 1c3h s LEU 208 CO 0.22 0.01 0.05 -1.61 0.23 0.00 0.00 176.35 175.25 1c3h s GLU 209 N -2.33 2.48 0.33 1.70 0.41 -1.26 -1.77 118.70 118.26 1c3h s GLU 209 Ca 0.10 -1.30 -0.29 0.00 -0.41 0.00 0.00 54.97 53.08 1c3h s GLU 209 Cb -0.08 -2.29 -0.12 0.00 -1.78 0.00 0.00 34.13 29.87 1c3h s GLU 209 CO 0.05 0.38 1.40 0.28 -0.49 0.00 0.00 175.26 176.88 1c3h n VAL 210 N -0.93 1.74 0.00 2.63 0.31 -1.26 -1.31 118.33 119.51 1c3h n VAL 210 Ca -0.07 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1c3h n VAL 210 Cb 0.58 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1c3h n VAL 210 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c3h n GLY 211 N 1.03 3.14 3.72 2.92 0.00 0.17 -5.00 105.19 111.17 1c3h n GLY 211 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1c3h n GLY 211 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c3h n ASP 212 N 0.12 3.59 -4.65 1.61 8.00 -0.43 -4.68 116.55 120.11 1c3h n ASP 212 Ca 0.00 1.13 -0.32 0.00 0.71 0.00 0.00 54.79 56.31 1c3h n ASP 212 Cb 0.00 -1.55 -0.09 0.00 -0.02 0.00 0.00 41.12 39.46 1c3h n ASP 212 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1c3h s GLN 213 N -0.22 2.63 -0.01 -1.24 -0.21 -1.26 -0.95 119.66 118.39 1c3h s GLN 213 Ca 0.67 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 55.33 1c3h s GLN 213 Cb -0.54 -2.57 0.02 0.00 1.00 0.00 0.00 33.01 30.92 1c3h s GLN 213 CO 0.46 0.59 0.02 0.08 -2.12 0.00 0.00 175.29 174.32 1c3h s VAL 214 N -1.11 -0.03 0.33 1.09 1.01 -0.52 0.79 120.40 121.97 1c3h s VAL 214 Ca 0.20 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1c3h s VAL 214 Cb -0.11 -0.06 0.04 0.00 0.00 0.00 0.00 36.38 36.24 1c3h s VAL 214 CO 0.11 0.06 0.74 -1.66 0.00 0.00 0.00 175.10 174.35 1c3h s TRP 215 N 0.67 0.03 0.04 5.22 -2.14 -0.54 -0.44 118.94 121.79 1c3h s TRP 215 Ca -0.06 -0.59 0.05 0.00 2.66 0.00 0.00 56.10 58.16 1c3h s TRP 215 Cb -0.08 0.73 -0.04 0.00 -3.10 0.00 0.00 33.47 30.98 1c3h s TRP 215 CO -0.02 -1.40 -0.10 -0.51 -2.66 0.00 0.00 176.95 172.26 1c3h s LEU 216 N -3.01 3.01 -0.03 -4.66 1.43 -1.26 0.47 118.68 114.63 1c3h s LEU 216 Ca 0.14 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 1c3h s LEU 216 Cb -0.05 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1c3h s LEU 216 CO 0.10 0.24 0.12 -1.10 0.23 0.00 0.00 176.35 175.94 1c3h s GLN 217 N -1.68 0.23 0.20 1.70 -0.21 0.07 -0.73 119.66 119.23 1c3h s GLN 217 Ca 0.18 0.01 0.11 0.00 0.02 0.00 0.00 55.36 55.67 1c3h s GLN 217 Cb -0.11 0.10 -0.04 0.00 1.00 0.00 0.00 33.01 33.96 1c3h s GLN 217 CO 0.09 -0.04 -0.18 0.14 -2.12 0.00 0.00 175.29 173.19 1c3h s VAL 218 N -0.33 2.70 -0.00 1.09 -7.23 -1.26 -0.49 120.40 114.88 1c3h s VAL 218 Ca -0.04 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1c3h s VAL 218 Cb -0.03 -2.33 -0.00 0.00 0.56 0.00 0.00 36.38 34.57 1c3h s VAL 218 CO 0.00 -0.16 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.27 1c3h s TYR 219 N -1.82 0.50 -4.61 2.82 2.02 0.33 -0.25 117.35 116.33 1c3h s TYR 219 Ca 0.24 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 1c3h s TYR 219 Cb -0.08 -0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.16 1c3h s TYR 219 CO 0.13 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 1c3h n GLY 220 N 2.90 -2.25 3.54 0.71 0.00 -1.26 -0.25 105.19 108.58 1c3h n GLY 220 Ca -0.13 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 1c3h n GLY 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c3h s ASP 221 N -1.58 5.17 -0.02 1.61 1.11 -0.39 -4.90 116.67 117.66 1c3h s ASP 221 Ca 0.00 -0.06 0.04 0.00 0.18 0.00 0.00 52.55 52.71 1c3h s ASP 221 Cb 0.00 -1.87 0.05 0.00 1.07 0.00 0.00 42.92 42.17 1c3h s ASP 221 CO 0.00 0.14 0.90 0.61 1.18 0.00 0.00 175.17 178.01 1c3h n GLY 222 N 3.72 1.62 0.36 0.21 0.00 -1.26 0.63 105.19 110.47 1c3h n GLY 222 Ca -0.17 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.68 1c3h n GLY 222 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c3h n ASP 223 N -0.50 1.05 -2.70 1.61 8.00 -1.26 -3.87 116.55 118.88 1c3h n ASP 223 Ca 0.03 -1.93 -0.06 0.00 0.71 0.00 0.00 54.79 53.54 1c3h n ASP 223 Cb 0.43 -0.12 0.08 0.00 -0.02 0.00 0.00 41.12 41.49 1c3h n ASP 223 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1c3h n HIS 224 N 0.05 -0.62 -3.17 1.24 8.25 -1.26 -5.12 115.22 114.59 1c3h n HIS 224 Ca 0.08 -2.25 -0.39 0.00 -0.26 0.00 0.00 57.72 54.90 1c3h n HIS 224 Cb 0.18 0.64 -0.06 0.00 1.12 0.00 0.00 29.99 31.87 1c3h n HIS 224 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1c3h s ASN 225 N -2.22 7.11 0.00 0.41 0.01 -1.25 -4.99 114.94 114.00 1c3h s ASN 225 Ca 0.23 1.31 0.00 0.00 -0.71 0.00 0.00 52.86 53.69 1c3h s ASN 225 Cb 0.42 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.68 1c3h s ASN 225 CO -0.04 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.33 1c3h n GLY 226 N 2.03 -1.76 3.75 0.66 0.00 -1.26 -4.97 105.19 103.65 1c3h n GLY 226 Ca -0.07 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 1c3h n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c3h s LEU 227 N 0.00 4.36 0.00 0.99 2.96 -1.26 -5.08 118.68 120.65 1c3h s LEU 227 Ca 0.00 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 54.88 1c3h s LEU 227 Cb 0.00 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.91 1c3h s LEU 227 CO 0.00 0.08 0.00 0.00 -1.32 0.00 0.00 176.35 175.11 1c3h n TYR 228 N 3.08 -0.36 -3.83 5.38 9.36 -1.26 -5.10 117.16 124.43 1c3h n TYR 228 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1c3h n TYR 228 Cb 0.51 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.23 1c3h n TYR 228 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1c3h n ALA 229 N -3.00 -1.75 -0.04 2.98 0.00 -1.26 -5.07 120.51 112.37 1c3h n ALA 229 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 52.90 1c3h n ALA 229 Cb 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 1c3h n ALA 229 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1c3h h ASP 230 N 1.07 -0.74 0.00 0.00 2.03 -2.05 -3.46 116.42 113.27 1c3h h ASP 230 Ca -0.13 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 1c3h h ASP 230 Cb 0.64 0.30 0.00 0.00 -0.83 0.00 0.00 39.33 39.44 1c3h h ASP 230 CO 0.18 -0.17 0.00 -3.20 -1.03 0.00 0.00 179.24 175.02 1c3h n ASN 231 N -3.76 0.00 -3.86 4.15 2.85 -1.26 -4.92 115.26 108.47 1c3h n ASN 231 Ca -0.02 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.21 1c3h n ASN 231 Cb 0.14 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.16 1c3h n ASN 231 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1c3h n VAL 232 N 0.00 -3.46 -4.07 3.44 0.31 -1.26 -4.94 118.33 108.35 1c3h n VAL 232 Ca 0.00 -0.43 -0.32 0.00 -0.01 0.00 0.00 64.34 63.57 1c3h n VAL 232 Cb 0.00 -3.09 -0.15 0.00 -0.91 0.00 0.00 33.84 29.69 1c3h n VAL 232 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1c3h s ASN 233 N -4.23 4.11 0.04 4.52 3.84 -1.21 -5.07 114.94 116.94 1c3h s ASN 233 Ca 0.09 -1.18 -0.30 0.00 0.21 0.00 0.00 52.86 51.68 1c3h s ASN 233 Cb -0.05 -1.54 -0.07 0.00 -0.55 0.00 0.00 41.25 39.04 1c3h s ASN 233 CO 0.85 -0.14 1.46 -1.81 -2.79 0.00 0.00 177.10 174.67 1c3h s ASP 234 N 1.16 6.79 -0.12 -4.21 1.01 -1.26 -3.69 116.67 116.35 1c3h s ASP 234 Ca -0.05 2.24 -0.03 0.00 0.71 0.00 0.00 52.55 55.42 1c3h s ASP 234 Cb -0.18 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 1c3h s ASP 234 CO -0.07 -0.75 -0.01 -0.44 0.21 0.00 0.00 175.17 174.11 1c3h s SER 235 N 1.87 5.09 0.10 0.27 0.01 -1.26 -4.89 113.70 114.90 1c3h s SER 235 Ca 0.66 0.03 0.05 0.00 1.31 0.00 0.00 55.95 58.00 1c3h s SER 235 Cb -0.34 -1.61 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 1c3h s SER 235 CO 0.28 0.28 -0.12 0.42 0.41 0.00 0.00 173.24 174.51 1c3h s THR 236 N -0.31 1.09 -0.07 1.44 -4.23 0.14 -2.02 115.64 111.68 1c3h s THR 236 Ca 0.06 -1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1c3h s THR 236 Cb -0.12 -1.31 0.03 0.00 1.34 0.00 0.00 72.50 72.44 1c3h s THR 236 CO 0.02 -0.43 0.05 0.12 -0.54 0.00 0.00 174.62 173.84 1c3h s PHE 237 N -2.02 0.28 0.11 3.99 5.36 0.30 -0.93 117.98 125.06 1c3h s PHE 237 Ca 0.04 0.04 0.06 0.00 -0.96 0.00 0.00 56.93 56.11 1c3h s PHE 237 Cb -0.06 -0.61 -0.03 0.00 -0.34 0.00 0.00 43.02 41.98 1c3h s PHE 237 CO 0.02 -0.28 -0.14 0.99 -1.46 0.00 0.00 175.22 174.35 1c3h s THR 238 N 2.10 1.28 -0.15 0.12 2.01 0.15 -1.34 115.64 119.81 1c3h s THR 238 Ca 0.04 -1.58 -0.29 0.00 0.31 0.00 0.00 61.69 60.17 1c3h s THR 238 Cb -0.13 -1.39 0.09 0.00 0.01 0.00 0.00 72.50 71.08 1c3h s THR 238 CO -0.04 -0.34 0.82 -0.83 -0.69 0.00 0.00 174.62 173.54 1c3h s GLY 239 N -2.21 -0.43 -0.02 4.40 0.00 -0.41 -0.81 107.32 107.83 1c3h s GLY 239 Ca 0.05 1.82 -0.21 0.00 0.00 0.00 0.00 44.72 46.38 1c3h s GLY 239 CO 0.03 1.24 0.46 -0.11 0.00 0.00 0.00 173.10 174.72 1c3h s PHE 240 N -0.69 -0.38 0.02 1.90 -0.12 -0.65 -0.72 117.98 117.34 1c3h s PHE 240 Ca -0.05 0.60 -0.30 0.00 -0.05 0.00 0.00 56.93 57.13 1c3h s PHE 240 Cb -0.02 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 1c3h s PHE 240 CO 0.04 -0.49 1.24 -1.17 -0.05 0.00 0.00 175.22 174.79 1c3h s LEU 241 N -1.32 4.33 -0.15 -1.99 2.96 0.11 -1.38 118.68 121.25 1c3h s LEU 241 Ca -0.12 1.99 -0.12 0.00 -0.22 0.00 0.00 54.13 55.66 1c3h s LEU 241 Cb -0.03 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1c3h s LEU 241 CO 0.06 -0.56 -0.24 -0.11 -1.32 0.00 0.00 176.35 174.19 1c3h n LEU 242 N 4.56 1.71 -4.06 -0.68 0.00 0.24 -4.83 117.00 113.94 1c3h n LEU 242 Ca 0.10 0.47 -0.28 0.00 0.00 0.00 0.00 56.01 56.30 1c3h n LEU 242 Cb 0.46 -0.79 -0.17 0.00 0.00 0.00 0.00 43.42 42.92 1c3h n LEU 242 CO 0.56 -0.39 -0.49 -0.31 0.00 0.00 0.00 177.39 176.76 1c3h s TYR 243 N -2.42 1.90 0.27 1.96 2.02 -1.01 -4.97 117.35 115.10 1c3h s TYR 243 Ca -0.19 -0.84 -0.29 0.00 -0.37 0.00 0.00 57.07 55.38 1c3h s TYR 243 Cb 0.03 -1.36 -0.09 0.00 -0.40 0.00 0.00 41.96 40.13 1c3h s TYR 243 CO 0.29 -0.42 0.96 -1.58 -1.57 0.00 0.00 175.55 173.23 1c3h s HIS 244 N 0.85 3.84 0.62 2.71 5.65 -1.26 -0.06 115.29 127.64 1c3h s HIS 244 Ca -0.10 1.85 -0.17 0.00 0.25 0.00 0.00 55.06 56.89 1c3h s HIS 244 Cb -0.15 -3.01 -0.02 0.00 -1.18 0.00 0.00 32.58 28.22 1c3h s HIS 244 CO 0.01 0.23 1.17 -0.51 -0.65 0.00 0.00 174.74 175.00 1c3h s ASP 245 N -1.27 5.09 0.00 9.88 1.01 -0.14 -4.91 116.67 126.32 1c3h s ASP 245 Ca 0.44 2.27 0.00 0.00 0.71 0.00 0.00 52.55 55.97 1c3h s ASP 245 Cb -0.25 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.10 1c3h s ASP 245 CO 0.31 -1.66 0.00 0.41 0.21 0.00 0.00 175.17 174.44 1c3h n THR 246 N -1.91 0.00 -0.56 -1.27 -1.04 -1.26 -5.02 114.28 103.23 1c3h n THR 246 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1c3h n THR 246 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1c3h n THR 246 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02