#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyx n VAL 122 N 0.00 -5.17 0.00 2.52 0.31 -1.26 -1.16 118.33 113.57 1xyx n VAL 122 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 64.34 63.48 1xyx n VAL 122 Cb 0.00 -3.90 0.00 0.00 -0.91 0.00 0.00 33.84 29.03 1xyx n VAL 122 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xyx n GLY 123 N -1.78 1.36 0.00 2.92 0.00 -1.26 -2.49 105.19 103.95 1xyx n GLY 123 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1xyx n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyx n GLY 124 N -1.18 0.55 0.22 -0.02 0.00 -0.30 -5.03 105.19 99.42 1xyx n GLY 124 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1xyx n GLY 124 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xyx h LEU 125 N 0.00 0.00 0.00 0.99 -0.00 -0.87 -3.47 115.31 111.96 1xyx h LEU 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1xyx h LEU 125 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1xyx h LEU 125 CO 0.00 0.23 0.00 0.61 -0.00 0.00 0.00 178.44 179.28 1xyx n GLY 126 N -0.62 0.37 0.00 0.83 0.00 -1.26 -4.57 105.19 99.94 1xyx n GLY 126 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xyx n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyx n GLY 127 N -2.00 0.53 3.80 -0.02 0.00 -1.26 -5.11 105.19 101.13 1xyx n GLY 127 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1xyx n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyx s TYR 128 N 0.00 3.52 0.66 1.61 1.51 -1.26 -4.97 117.35 118.42 1xyx s TYR 128 Ca 0.00 1.69 -0.15 0.00 -1.01 0.00 0.00 57.07 57.61 1xyx s TYR 128 Cb 0.00 -2.88 -0.00 0.00 -0.11 0.00 0.00 41.96 38.97 1xyx s TYR 128 CO 0.00 0.07 1.10 -1.64 -1.11 0.00 0.00 175.55 173.97 1xyx s MET 129 N -2.56 2.84 -0.11 -0.62 -1.94 0.31 -4.89 119.30 112.32 1xyx s MET 129 Ca 0.55 1.36 0.03 0.00 -1.71 0.00 0.00 55.69 55.93 1xyx s MET 129 Cb -0.14 -1.96 0.01 0.00 2.01 0.00 0.00 34.83 34.75 1xyx s MET 129 CO 0.19 -1.22 -0.20 -1.17 -0.01 0.00 0.00 175.02 172.61 1xyx s LEU 130 N -4.86 1.97 0.93 -0.03 2.96 -1.26 -1.13 118.68 117.26 1xyx s LEU 130 Ca 0.66 -0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 53.91 1xyx s LEU 130 Cb -0.20 -1.29 0.18 0.00 0.50 0.00 0.00 46.19 45.38 1xyx s LEU 130 CO 0.42 0.09 1.29 -0.83 -1.32 0.00 0.00 176.35 175.99 1xyx s GLY 131 N 0.69 1.76 0.73 7.98 0.00 -0.04 -5.00 107.32 113.44 1xyx s GLY 131 Ca -0.11 -1.19 -0.11 0.00 0.00 0.00 0.00 44.72 43.31 1xyx s GLY 131 CO 0.02 -0.46 1.07 -0.45 0.00 0.00 0.00 173.10 173.29 1xyx s SER 132 N -4.85 5.05 0.97 1.64 0.15 -1.26 -4.54 113.70 110.87 1xyx s SER 132 Ca 0.72 1.60 -0.12 0.00 0.70 0.00 0.00 55.95 58.85 1xyx s SER 132 Cb -0.05 -2.42 0.10 0.00 -1.71 0.00 0.00 66.02 61.94 1xyx s SER 132 CO 0.52 -1.65 0.66 0.00 1.20 0.00 0.00 173.24 173.97 1xyx n ALA 133 N -3.26 -2.17 -2.23 5.45 0.00 -1.26 -4.40 120.51 112.64 1xyx n ALA 133 Ca 0.08 -0.69 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 1xyx n ALA 133 Cb 0.54 -1.92 -0.10 0.00 0.00 0.00 0.00 19.45 17.97 1xyx n ALA 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1xyx s MET 134 N -4.01 1.19 0.53 0.00 -1.94 0.14 -4.91 119.30 110.30 1xyx s MET 134 Ca 0.61 -1.61 -0.09 0.00 -1.71 0.00 0.00 55.69 52.89 1xyx s MET 134 Cb -0.21 -0.01 0.12 0.00 2.01 0.00 0.00 34.83 36.74 1xyx s MET 134 CO 0.64 -0.28 0.66 0.45 -0.01 0.00 0.00 175.02 176.48 1xyx n SER 135 N -0.29 -0.28 -4.67 3.03 2.88 -1.26 -4.91 113.62 108.13 1xyx n SER 135 Ca -0.02 -1.16 -0.44 0.00 -1.33 0.00 0.00 58.87 55.92 1xyx n SER 135 Cb 0.65 -0.52 -0.04 0.00 -0.75 0.00 0.00 64.21 63.55 1xyx n SER 135 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xyx n ARG 136 N -2.60 2.63 -1.28 -1.46 3.00 -1.26 -5.00 116.66 110.70 1xyx n ARG 136 Ca 0.08 0.96 -0.29 0.00 -0.01 0.00 0.00 57.85 58.60 1xyx n ARG 136 Cb 0.30 -2.87 0.18 0.00 0.00 0.00 0.00 32.46 30.06 1xyx n ARG 136 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xyx s PRO 137 N 3.86 0.32 -0.22 5.56 0.04 -1.26 -5.00 135.00 138.31 1xyx s PRO 137 Ca 0.88 0.32 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 1xyx s PRO 137 Cb -0.53 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1xyx s PRO 137 CO 0.44 -2.76 1.04 -1.64 0.04 0.00 0.00 177.00 174.12 1xyx s MET 138 N -5.14 4.27 0.03 4.56 -1.94 -1.26 -5.03 119.30 114.78 1xyx s MET 138 Ca 0.66 1.37 0.05 0.00 -1.71 0.00 0.00 55.69 56.06 1xyx s MET 138 Cb -0.16 -3.64 -0.02 0.00 2.01 0.00 0.00 34.83 33.02 1xyx s MET 138 CO 0.56 -0.62 -0.15 0.42 -0.01 0.00 0.00 175.02 175.23 1xyx s ILE 139 N 3.14 1.19 -0.31 2.53 1.01 -1.26 -4.91 121.20 122.60 1xyx s ILE 139 Ca 0.44 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1xyx s ILE 139 Cb -0.15 -1.06 0.10 0.00 0.01 0.00 0.00 42.46 41.36 1xyx s ILE 139 CO 0.07 0.08 0.11 -1.38 0.00 0.00 0.00 174.94 173.81 1xyx s HIS 140 N -0.77 1.54 -0.96 3.97 -3.43 -1.26 -4.98 115.29 109.40 1xyx s HIS 140 Ca 0.03 -1.66 0.27 0.00 -0.80 0.00 0.00 55.06 52.90 1xyx s HIS 140 Cb -0.08 -1.62 0.92 0.00 -1.43 0.00 0.00 32.58 30.38 1xyx s HIS 140 CO 0.01 -0.87 1.72 1.19 -2.00 0.00 0.00 174.74 174.79 1xyx n PHE 141 N 4.84 0.10 -1.13 0.38 3.72 -1.26 -4.94 117.46 119.17 1xyx n PHE 141 Ca -0.02 0.03 -0.05 0.00 -0.05 0.00 0.00 57.45 57.36 1xyx n PHE 141 Cb 0.42 -0.46 -0.02 0.00 -0.94 0.00 0.00 39.48 38.48 1xyx n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xyx n GLY 142 N 1.48 0.56 3.28 1.37 0.00 -1.26 -4.99 105.19 105.63 1xyx n GLY 142 Ca 0.06 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1xyx n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xyx s ASN 143 N -2.25 2.86 -0.01 1.61 0.01 -1.26 -5.05 114.94 110.85 1xyx s ASN 143 Ca 0.00 -0.44 -0.24 0.00 -0.71 0.00 0.00 52.86 51.47 1xyx s ASN 143 Cb 0.00 -0.37 -0.16 0.00 0.41 0.00 0.00 41.25 41.13 1xyx s ASN 143 CO 0.00 0.29 1.11 0.44 -1.51 0.00 0.00 177.10 177.43 1xyx h ASP 144 N 5.60 -0.33 0.25 -1.22 3.32 -2.01 -3.23 116.42 118.79 1xyx h ASP 144 Ca -0.41 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.40 1xyx h ASP 144 Cb 1.13 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1xyx h ASP 144 CO 0.47 0.09 -0.19 4.11 -1.72 0.00 0.00 179.24 182.00 1xyx h TRP 145 N -0.82 0.00 -0.23 4.55 5.08 -1.99 -2.65 115.95 119.89 1xyx h TRP 145 Ca -0.04 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.81 1xyx h TRP 145 Cb 0.51 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.67 1xyx h TRP 145 CO 0.04 0.19 -0.33 0.93 -1.28 0.00 0.00 178.44 177.98 1xyx h GLU 146 N 0.00 0.64 -0.16 0.12 5.08 -1.99 0.12 114.58 118.39 1xyx h GLU 146 Ca -0.00 -0.37 -0.13 0.00 -1.00 0.00 0.00 59.36 57.86 1xyx h GLU 146 Cb 0.36 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1xyx h GLU 146 CO 0.02 0.98 -0.44 0.22 -1.00 0.00 0.00 179.01 178.79 1xyx h ASP 147 N 0.34 0.42 -0.02 1.42 3.58 -1.50 -0.65 116.42 120.02 1xyx h ASP 147 Ca 0.02 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 1xyx h ASP 147 Cb 0.91 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 1xyx h ASP 147 CO 0.08 0.81 0.01 -0.09 -2.88 0.00 0.00 179.24 177.17 1xyx h ARG 148 N 0.32 0.02 -0.28 0.28 2.43 -1.42 -2.90 114.38 112.84 1xyx h ARG 148 Ca 0.02 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1xyx h ARG 148 Cb 0.91 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.40 1xyx h ARG 148 CO 0.08 0.08 -0.09 -0.92 -1.51 0.00 0.00 179.97 177.61 1xyx h TYR 149 N -0.04 -0.20 -0.44 2.20 3.20 0.00 -1.72 116.97 119.97 1xyx h TYR 149 Ca 0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1xyx h TYR 149 Cb 0.07 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1xyx h TYR 149 CO -0.05 -0.15 0.27 -0.92 -1.64 0.00 0.00 178.16 175.67 1xyx h TYR 150 N -0.03 0.51 0.00 -3.82 3.20 -1.20 -0.67 116.97 114.95 1xyx h TYR 150 Ca 0.14 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1xyx h TYR 150 Cb 0.24 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1xyx h TYR 150 CO -0.29 0.31 0.00 0.54 -1.64 0.00 0.00 178.16 177.08 1xyx n ARG 151 N -4.82 0.09 -0.02 1.82 1.74 -0.70 -0.97 116.66 113.80 1xyx n ARG 151 Ca 0.02 0.18 0.02 0.00 -0.77 0.00 0.00 57.85 57.30 1xyx n ARG 151 Cb 0.05 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1xyx n ARG 151 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xyx n GLU 152 N -1.21 0.42 0.00 5.56 -0.58 -0.31 -4.80 120.64 119.71 1xyx n GLU 152 Ca 0.03 -1.00 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 1xyx n GLU 152 Cb 0.03 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1xyx n GLU 152 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xyx n ASN 153 N 0.18 0.12 0.04 1.62 5.03 -0.14 -4.94 115.26 117.16 1xyx n ASN 153 Ca 0.03 -0.08 0.22 0.00 0.87 0.00 0.00 54.58 55.62 1xyx n ASN 153 Cb 0.16 0.18 0.71 0.00 -1.02 0.00 0.00 39.78 39.81 1xyx n ASN 153 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xyx h MET 154 N 0.00 0.00 0.00 3.52 -0.00 -1.56 -0.52 114.93 116.36 1xyx h MET 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1xyx h MET 154 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1xyx h MET 154 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.91 179.39 1xyx n TYR 155 N -3.66 0.00 1.20 -0.10 0.18 -1.26 -1.49 117.16 112.03 1xyx n TYR 155 Ca 0.10 0.00 0.14 0.00 1.88 0.00 0.00 57.90 60.02 1xyx n TYR 155 Cb 0.76 -0.50 0.68 0.00 -0.38 0.00 0.00 39.34 39.91 1xyx n TYR 155 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1xyx n ARG 156 N -1.50 0.20 -4.33 -3.48 1.74 -0.20 -4.95 116.66 104.13 1xyx n ARG 156 Ca 0.02 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.90 1xyx n ARG 156 Cb 0.08 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.91 1xyx n ARG 156 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1xyx s TYR 157 N -2.80 1.75 0.88 -1.55 2.02 -0.56 -5.13 117.35 111.97 1xyx s TYR 157 Ca 0.21 -0.52 -0.10 0.00 -0.37 0.00 0.00 57.07 56.29 1xyx s TYR 157 Cb 0.20 -0.85 0.12 0.00 -0.40 0.00 0.00 41.96 41.04 1xyx s TYR 157 CO 0.50 0.34 1.12 -1.25 -1.57 0.00 0.00 175.55 174.69 1xyx s PRO 158 N -3.18 1.31 -0.00 -1.71 0.04 -1.26 -4.98 135.00 125.22 1xyx s PRO 158 Ca 0.19 1.36 0.21 0.00 0.04 0.00 0.00 61.00 62.79 1xyx s PRO 158 Cb -0.03 -1.77 -0.23 0.00 0.04 0.00 0.00 34.50 32.50 1xyx s PRO 158 CO 0.07 -2.37 0.87 0.09 0.04 0.00 0.00 177.00 175.70 1xyx n ASN 159 N -4.04 0.94 -4.12 6.66 4.13 -1.26 -5.02 115.26 112.56 1xyx n ASN 159 Ca 0.10 -0.94 -0.16 0.00 1.68 0.00 0.00 54.58 55.26 1xyx n ASN 159 Cb 0.53 1.05 -0.10 0.00 -1.54 0.00 0.00 39.78 39.72 1xyx n ASN 159 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1xyx s GLN 160 N -3.01 1.45 0.05 3.52 -0.21 -1.26 -0.68 119.66 119.52 1xyx s GLN 160 Ca 0.07 -1.80 -0.04 0.00 0.02 0.00 0.00 55.36 53.61 1xyx s GLN 160 Cb 0.16 -0.05 -0.02 0.00 1.00 0.00 0.00 33.01 34.10 1xyx s GLN 160 CO 0.87 -0.40 0.06 0.14 -2.12 0.00 0.00 175.29 173.84 1xyx s VAL 161 N -3.77 0.17 -0.10 1.09 -7.23 -1.26 -4.98 120.40 104.31 1xyx s VAL 161 Ca 0.37 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 59.12 1xyx s VAL 161 Cb 0.06 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 1xyx s VAL 161 CO 0.15 -0.77 0.04 -0.31 -0.31 0.00 0.00 175.10 173.91 1xyx s TYR 162 N -3.35 3.29 0.00 2.82 2.02 -1.26 -0.86 117.35 120.01 1xyx s TYR 162 Ca 0.01 0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.99 1xyx s TYR 162 Cb 0.03 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1xyx s TYR 162 CO -0.08 0.52 0.00 2.48 -1.57 0.00 0.00 175.55 176.90 1xyx n TYR 163 N 2.20 0.00 -3.76 2.71 4.11 -0.28 -4.44 117.16 117.69 1xyx n TYR 163 Ca -0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.61 1xyx n TYR 163 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.82 1xyx n TYR 163 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 1xyx s ARG 164 N 2.40 0.92 0.83 -3.48 1.70 -1.26 -0.53 118.95 119.52 1xyx s ARG 164 Ca 0.00 -0.80 -0.11 0.00 -0.47 0.00 0.00 55.73 54.35 1xyx s ARG 164 Cb 0.00 0.39 0.10 0.00 -0.57 0.00 0.00 34.95 34.86 1xyx s ARG 164 CO 0.00 -0.32 1.13 -1.25 -1.08 0.00 0.00 175.30 173.78 1xyx s PRO 165 N -3.63 1.67 0.00 3.89 0.04 -1.26 -4.96 135.00 130.74 1xyx s PRO 165 Ca 0.03 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1xyx s PRO 165 Cb 0.03 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1xyx s PRO 165 CO -0.10 -2.13 0.59 1.33 0.04 0.00 0.00 177.00 176.73 1xyx n VAL 166 N -3.75 0.00 -2.51 -0.36 0.24 -1.26 -4.87 118.33 105.82 1xyx n VAL 166 Ca 0.11 1.09 0.00 0.00 -2.04 0.00 0.00 64.34 63.50 1xyx n VAL 166 Cb 0.52 -1.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.13 1xyx n VAL 166 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xyx n ASP 167 N -1.16 0.00 0.11 -1.34 2.03 -1.26 -3.21 116.55 111.72 1xyx n ASP 167 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1xyx n ASP 167 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1xyx n ASP 167 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1xyx h GLN 168 N 0.00 -0.22 -2.32 -0.67 -0.00 -2.04 -3.49 115.11 106.36 1xyx h GLN 168 Ca 0.00 0.02 0.21 0.00 -0.00 0.00 0.00 58.65 58.87 1xyx h GLN 168 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 27.48 27.45 1xyx h GLN 168 CO 0.00 -0.05 -0.50 2.48 0.00 0.00 0.00 178.83 180.75 1xyx n TYR 169 N -5.14 -2.10 -3.87 3.99 0.18 -1.20 -5.10 117.16 103.92 1xyx n TYR 169 Ca -0.09 1.10 -0.10 0.00 1.88 0.00 0.00 57.90 60.70 1xyx n TYR 169 Cb 0.16 -1.91 -0.02 0.00 -0.38 0.00 0.00 39.34 37.19 1xyx n TYR 169 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1xyx n SER 170 N -4.20 -0.99 -0.96 9.48 2.88 -1.26 -5.08 113.62 113.49 1xyx n SER 170 Ca -0.02 -2.28 -0.13 0.00 -1.33 0.00 0.00 58.87 55.11 1xyx n SER 170 Cb 0.60 1.82 -0.03 0.00 -0.75 0.00 0.00 64.21 65.86 1xyx n SER 170 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1xyx n ASN 171 N -1.75 0.15 -0.13 -3.46 3.02 -1.26 -4.68 115.26 107.15 1xyx n ASN 171 Ca -0.00 0.13 -0.06 0.00 -0.03 0.00 0.00 54.58 54.62 1xyx n ASN 171 Cb 0.40 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.39 1xyx n ASN 171 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 1xyx h GLN 172 N 2.15 0.41 -0.73 3.52 3.07 -1.98 -0.76 115.11 120.78 1xyx h GLN 172 Ca -0.02 -0.02 0.10 0.00 0.09 0.00 0.00 58.65 58.79 1xyx h GLN 172 Cb 0.31 -0.09 -0.07 0.00 0.08 0.00 0.00 27.48 27.71 1xyx h GLN 172 CO 0.26 0.27 0.36 -0.91 0.09 0.00 0.00 178.83 178.90 1xyx h ASN 173 N 0.42 0.47 0.67 0.06 2.35 -1.98 0.25 115.58 117.82 1xyx h ASN 173 Ca 0.18 0.06 -0.16 0.00 -0.55 0.00 0.00 56.30 55.83 1xyx h ASN 173 Cb 0.08 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1xyx h ASN 173 CO -0.12 0.26 -0.74 0.78 -1.65 0.00 0.00 177.43 175.96 1xyx h ASN 174 N 0.61 0.07 -0.32 5.81 4.21 -1.58 0.08 115.58 124.47 1xyx h ASN 174 Ca 0.36 -0.05 -0.07 0.00 1.21 0.00 0.00 56.30 57.75 1xyx h ASN 174 Cb 0.39 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.56 1xyx h ASN 174 CO -0.28 0.79 -0.07 0.15 -1.29 0.00 0.00 177.43 176.73 1xyx h PHE 175 N 0.03 0.68 -0.12 1.19 3.57 -0.36 -1.64 116.94 120.30 1xyx h PHE 175 Ca -0.01 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.38 1xyx h PHE 175 Cb 1.31 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 1xyx h PHE 175 CO 0.01 0.78 -0.09 0.28 -2.23 0.00 0.00 178.31 177.05 1xyx h VAL 176 N 0.38 0.73 -0.49 1.41 2.07 -0.23 -0.01 116.25 120.12 1xyx h VAL 176 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1xyx h VAL 176 Cb 0.55 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 1xyx h VAL 176 CO 0.03 0.00 0.05 -0.74 0.02 0.00 0.00 177.57 176.93 1xyx h HIS 177 N -0.10 0.07 -0.49 1.57 -0.00 -0.92 0.11 115.15 115.39 1xyx h HIS 177 Ca 0.08 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1xyx h HIS 177 Cb 0.22 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 1xyx h HIS 177 CO -0.21 -0.06 0.32 0.22 -0.00 0.00 0.00 177.93 178.20 1xyx h ASP 178 N 0.17 0.56 -0.19 3.26 3.58 -0.39 0.13 116.42 123.54 1xyx h ASP 178 Ca 0.25 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.70 1xyx h ASP 178 Cb 0.35 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 1xyx h ASP 178 CO -0.36 0.42 0.00 0.00 -2.88 0.00 0.00 179.24 176.42 1xyx h VAL 180 N 0.06 0.93 -0.36 0.00 2.07 -0.12 0.15 116.25 118.98 1xyx h VAL 180 Ca 0.09 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1xyx h VAL 180 Cb 0.11 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1xyx h VAL 180 CO -0.15 0.04 -0.14 -1.13 0.02 0.00 0.00 177.57 176.21 1xyx h ASN 181 N 0.23 0.65 0.71 0.57 -1.24 -0.57 -0.50 115.58 115.42 1xyx h ASN 181 Ca 0.13 -0.19 -0.26 0.00 0.71 0.00 0.00 56.30 56.69 1xyx h ASN 181 Cb 0.09 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1xyx h ASN 181 CO -0.13 0.81 -1.24 0.40 -1.29 0.00 0.00 177.43 175.98 1xyx h ILE 182 N 0.59 1.47 -0.02 2.57 1.08 -0.62 0.30 117.51 122.89 1xyx h ILE 182 Ca 0.10 -3.11 -0.17 0.00 -0.39 0.00 0.00 64.86 61.28 1xyx h ILE 182 Cb 0.59 2.86 0.01 0.00 -3.07 0.00 0.00 36.82 37.21 1xyx h ILE 182 CO 0.04 0.89 -0.66 0.74 -0.69 0.00 0.00 178.15 178.47 1xyx h THR 183 N 0.05 1.39 -0.39 -0.27 2.02 -0.62 -0.24 112.91 114.84 1xyx h THR 183 Ca -0.12 -2.05 0.08 0.00 0.77 0.00 0.00 66.41 65.08 1xyx h THR 183 Cb 1.92 2.47 -0.08 0.00 -1.74 0.00 0.00 68.15 70.72 1xyx h THR 183 CO 0.17 0.61 -0.13 0.40 0.37 0.00 0.00 175.52 176.93 1xyx h ILE 184 N 0.04 0.54 -0.02 3.11 2.04 -1.15 -1.30 117.51 120.76 1xyx h ILE 184 Ca -0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1xyx h ILE 184 Cb 1.35 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.91 1xyx h ILE 184 CO 0.13 0.00 -0.49 0.50 0.00 0.00 0.00 178.15 178.30 1xyx h LYS 185 N -0.05 -0.60 -0.08 2.37 3.64 -0.30 0.85 116.57 122.40 1xyx h LYS 185 Ca 0.19 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1xyx h LYS 185 Cb 0.34 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1xyx h LYS 185 CO -0.43 -0.40 -0.08 1.96 -2.27 0.00 0.00 179.45 178.23 1xyx h GLN 186 N -0.62 -0.10 0.00 1.90 7.50 -0.32 0.50 115.11 123.97 1xyx h GLN 186 Ca 0.03 0.01 -0.04 0.00 0.50 0.00 0.00 58.65 59.15 1xyx h GLN 186 Cb 0.69 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.24 1xyx h GLN 186 CO -0.36 -0.07 -0.21 0.45 -1.50 0.00 0.00 178.83 177.14 1xyx h HIS 187 N -0.10 0.00 -0.17 2.96 3.86 -0.94 0.61 115.15 121.36 1xyx h HIS 187 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1xyx h HIS 187 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1xyx h HIS 187 CO -0.19 0.21 0.00 2.41 0.86 0.00 0.00 177.93 181.23 1xyx n THR 188 N -3.74 0.22 0.02 2.45 -1.04 0.26 -3.90 114.28 108.56 1xyx n THR 188 Ca -0.01 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1xyx n THR 188 Cb 0.32 0.26 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1xyx n THR 188 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1xyx n VAL 189 N 0.21 0.07 0.24 12.58 0.31 0.16 -4.47 118.33 127.43 1xyx n VAL 189 Ca 0.15 0.02 0.18 0.00 -0.01 0.00 0.00 64.34 64.68 1xyx n VAL 189 Cb 0.29 -0.42 0.87 0.00 -0.91 0.00 0.00 33.84 33.66 1xyx n VAL 189 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xyx h THR 190 N 0.00 0.27 0.00 2.52 1.03 -0.01 0.25 112.91 116.97 1xyx h THR 190 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.09 1xyx h THR 190 Cb 0.00 0.78 -0.06 0.00 -1.07 0.00 0.00 68.15 67.81 1xyx h THR 190 CO 0.00 0.00 -2.16 0.41 -0.01 0.00 0.00 175.52 173.76 1xyx n THR 191 N -3.46 1.17 0.22 0.00 -1.04 -1.21 -4.63 114.28 105.32 1xyx n THR 191 Ca 0.01 -0.48 0.06 0.00 -2.04 0.00 0.00 64.05 61.60 1xyx n THR 191 Cb 0.35 -1.14 0.49 0.00 -1.82 0.00 0.00 70.33 68.21 1xyx n THR 191 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1xyx h THR 192 N 0.00 1.03 -0.83 12.58 2.02 -0.82 -1.32 112.91 125.57 1xyx h THR 192 Ca -0.46 -0.91 0.15 0.00 0.77 0.00 0.00 66.41 65.97 1xyx h THR 192 Cb 1.75 1.51 -0.10 0.00 -1.74 0.00 0.00 68.15 69.57 1xyx h THR 192 CO -0.06 0.25 0.39 0.00 0.37 0.00 0.00 175.52 176.47 1xyx h THR 193 N 0.00 0.68 0.16 3.16 1.03 -0.81 -2.81 112.91 114.32 1xyx h THR 193 Ca -0.00 -0.19 -0.26 0.00 -0.01 0.00 0.00 66.41 65.95 1xyx h THR 193 Cb 0.49 0.09 0.02 0.00 -1.07 0.00 0.00 68.15 67.68 1xyx h THR 193 CO 0.03 0.10 -1.21 0.11 -0.01 0.00 0.00 175.52 174.55 1xyx h LYS 194 N 0.54 0.35 0.00 0.00 6.56 -1.51 -3.47 116.57 119.04 1xyx h LYS 194 Ca 0.46 -0.59 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1xyx h LYS 194 Cb 0.69 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.58 1xyx h LYS 194 CO -0.39 1.28 0.00 0.41 -2.06 0.00 0.00 179.45 178.69 1xyx n GLY 195 N 1.72 -0.46 2.61 3.86 0.00 -1.01 -5.16 105.19 106.75 1xyx n GLY 195 Ca -0.19 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1xyx n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xyx s GLU 196 N 0.00 0.10 0.00 1.61 2.12 -1.07 -4.94 118.70 116.51 1xyx s GLU 196 Ca 0.00 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1xyx s GLU 196 Cb 0.00 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1xyx s GLU 196 CO 0.00 -0.69 0.00 -1.71 -0.54 0.00 0.00 175.26 172.32 1xyx n ASN 197 N 5.27 0.27 -3.41 -1.70 2.85 -1.26 -2.24 115.26 115.03 1xyx n ASN 197 Ca -0.07 -0.90 -0.15 0.00 -0.11 0.00 0.00 54.58 53.36 1xyx n ASN 197 Cb 0.49 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.45 1xyx n ASN 197 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xyx s PHE 198 N -1.75 1.13 0.44 1.20 0.40 -1.26 -5.11 117.98 113.03 1xyx s PHE 198 Ca 0.00 -1.32 0.08 0.00 -0.60 0.00 0.00 56.93 55.09 1xyx s PHE 198 Cb 0.00 -0.21 0.01 0.00 0.51 0.00 0.00 43.02 43.33 1xyx s PHE 198 CO 0.00 -1.04 0.54 0.95 0.70 0.00 0.00 175.22 176.37 1xyx s THR 199 N -3.30 2.79 0.26 0.64 -4.23 -1.26 -4.88 115.64 105.66 1xyx s THR 199 Ca 0.32 -1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.72 1xyx s THR 199 Cb 0.01 -2.89 0.24 0.00 1.34 0.00 0.00 72.50 71.19 1xyx s THR 199 CO 0.20 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 175.95 1xyx h GLU 200 N 0.70 0.55 -0.33 3.99 4.81 -2.03 0.17 114.58 122.44 1xyx h GLU 200 Ca -0.39 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1xyx h GLU 200 Cb 1.28 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 1xyx h GLU 200 CO 0.48 0.36 0.07 1.15 -0.73 0.00 0.00 179.01 180.35 1xyx h THR 201 N 0.57 1.23 -0.39 0.32 2.02 -1.98 0.11 112.91 114.79 1xyx h THR 201 Ca 0.46 -0.77 -0.13 0.00 0.77 0.00 0.00 66.41 66.74 1xyx h THR 201 Cb 0.67 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1xyx h THR 201 CO -0.38 0.26 -0.25 0.44 0.37 0.00 0.00 175.52 175.96 1xyx h ASP 202 N 0.38 0.89 -0.56 4.18 3.32 -1.54 0.15 116.42 123.25 1xyx h ASP 202 Ca 0.10 -0.43 0.08 0.00 0.02 0.00 0.00 57.03 56.81 1xyx h ASP 202 Cb 0.31 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.55 1xyx h ASP 202 CO 0.00 1.13 0.20 0.58 -1.72 0.00 0.00 179.24 179.42 1xyx h VAL 203 N 0.67 0.79 -0.46 -1.35 2.07 -0.67 0.90 116.25 118.20 1xyx h VAL 203 Ca 0.08 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 1xyx h VAL 203 Cb 0.82 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1xyx h VAL 203 CO 0.07 0.07 -0.22 0.50 0.02 0.00 0.00 177.57 178.01 1xyx h LYS 204 N 0.37 0.94 -0.00 1.57 3.64 -0.24 -1.21 116.57 121.64 1xyx h LYS 204 Ca 0.27 -0.39 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 1xyx h LYS 204 Cb 0.32 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1xyx h LYS 204 CO -0.28 1.06 -0.50 0.52 -2.27 0.00 0.00 179.45 177.97 1xyx h MET 205 N 0.81 0.00 -0.58 1.90 2.86 -0.33 -2.14 114.93 117.45 1xyx h MET 205 Ca 0.11 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1xyx h MET 205 Cb 0.78 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1xyx h MET 205 CO 0.06 0.50 0.15 0.52 1.06 0.00 0.00 176.91 179.21 1xyx h MET 206 N 0.00 0.93 -0.10 1.72 2.86 -0.46 -2.20 114.93 117.68 1xyx h MET 206 Ca -0.00 -0.22 0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1xyx h MET 206 Cb 0.89 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 1xyx h MET 206 CO 0.07 0.85 0.15 1.49 1.06 0.00 0.00 176.91 180.53 1xyx h GLU 207 N 0.84 0.00 0.00 1.72 4.81 -0.55 0.15 114.58 121.54 1xyx h GLU 207 Ca 0.18 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1xyx h GLU 207 Cb 0.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1xyx h GLU 207 CO 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.24 1xyx h ARG 208 N 0.00 0.00 -0.67 1.92 2.47 -1.26 -3.27 114.38 113.57 1xyx h ARG 208 Ca 0.05 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.71 1xyx h ARG 208 Cb 0.35 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.64 1xyx h ARG 208 CO -0.00 0.05 0.20 -0.24 0.56 0.00 0.00 179.97 180.54 1xyx h VAL 209 N -1.00 1.25 -0.38 2.04 3.04 -1.13 -0.92 116.25 119.15 1xyx h VAL 209 Ca -0.00 -0.87 -0.12 0.00 -1.01 0.00 0.00 66.70 64.70 1xyx h VAL 209 Cb 0.09 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 29.88 1xyx h VAL 209 CO -0.00 0.34 -0.23 0.58 -1.01 0.00 0.00 177.57 177.25 1xyx h VAL 210 N 1.00 1.28 0.31 1.51 2.07 -0.90 0.90 116.25 122.42 1xyx h VAL 210 Ca 0.22 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1xyx h VAL 210 Cb 0.30 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1xyx h VAL 210 CO -0.01 0.46 -0.32 -0.08 0.02 0.00 0.00 177.57 177.64 1xyx h GLU 211 N 0.62 -0.64 -0.66 1.57 4.81 -1.53 -0.67 114.58 118.08 1xyx h GLU 211 Ca 0.08 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1xyx h GLU 211 Cb 0.79 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1xyx h GLU 211 CO 0.06 -0.43 0.19 1.96 -0.73 0.00 0.00 179.01 180.07 1xyx h GLN 212 N -0.67 1.01 0.32 1.92 1.08 -0.99 0.19 115.11 117.97 1xyx h GLN 212 Ca -0.02 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1xyx h GLN 212 Cb 0.61 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1xyx h GLN 212 CO -0.07 0.87 -0.23 0.52 -0.95 0.00 0.00 178.83 178.97 1xyx h MET 213 N 0.97 -0.53 -0.17 1.46 2.86 -0.64 -1.03 114.93 117.84 1xyx h MET 213 Ca 0.21 0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.76 1xyx h MET 213 Cb 0.29 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1xyx h MET 213 CO -0.01 -0.35 -0.43 0.00 1.06 0.00 0.00 176.91 177.18 1xyx h VAL 215 N 0.34 0.95 -0.02 0.00 2.07 -0.60 0.78 116.25 119.77 1xyx h VAL 215 Ca 0.03 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xyx h VAL 215 Cb 0.91 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1xyx h VAL 215 CO 0.08 0.04 0.01 0.74 0.02 0.00 0.00 177.57 178.45 1xyx h THR 216 N 0.19 1.07 -0.19 2.57 2.02 -0.85 -2.48 112.91 115.24 1xyx h THR 216 Ca 0.10 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1xyx h THR 216 Cb 0.06 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1xyx h THR 216 CO -0.09 0.06 0.11 -0.61 0.37 0.00 0.00 175.52 175.35 1xyx h GLN 217 N -0.05 0.27 -0.77 6.66 5.75 -0.16 0.27 115.11 127.08 1xyx h GLN 217 Ca 0.01 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1xyx h GLN 217 Cb 0.08 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.54 1xyx h GLN 217 CO -0.00 0.25 0.39 -0.92 -2.65 0.00 0.00 178.83 175.90 1xyx h TYR 218 N 0.21 1.09 -0.35 3.99 3.20 -0.95 -0.44 116.97 123.73 1xyx h TYR 218 Ca 0.07 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1xyx h TYR 218 Cb 0.06 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 1xyx h TYR 218 CO -0.04 0.79 0.21 1.96 -1.64 0.00 0.00 178.16 179.44 1xyx h GLN 219 N 1.08 0.47 -0.23 1.82 4.20 -0.92 0.20 115.11 121.74 1xyx h GLN 219 Ca 0.27 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.99 1xyx h GLN 219 Cb 0.09 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 1xyx h GLN 219 CO -0.04 0.35 -0.16 0.87 -0.67 0.00 0.00 178.83 179.19 1xyx h LYS 220 N 0.45 -0.14 -0.25 1.46 1.57 0.36 0.29 116.57 120.31 1xyx h LYS 220 Ca 0.13 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1xyx h LYS 220 Cb -0.00 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1xyx h LYS 220 CO -0.02 -0.10 0.13 0.93 -0.57 0.00 0.00 179.45 179.82 1xyx h GLU 221 N -0.15 0.27 -0.05 3.15 3.07 -0.92 -2.61 114.58 117.34 1xyx h GLU 221 Ca 0.13 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.93 1xyx h GLU 221 Cb 0.34 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1xyx h GLU 221 CO -0.32 0.18 -0.19 0.66 -1.40 0.00 0.00 179.01 177.94 1xyx h SER 222 N 0.27 0.07 -0.27 1.42 4.64 -0.43 -2.82 113.55 116.44 1xyx h SER 222 Ca 0.10 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 1xyx h SER 222 Cb 0.01 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1xyx h SER 222 CO -0.06 0.27 -0.14 -0.61 -0.87 0.00 0.00 176.83 175.43 1xyx h GLN 223 N 0.08 0.69 -0.03 4.77 4.15 -0.06 0.23 115.11 124.94 1xyx h GLN 223 Ca 0.01 -0.23 0.01 0.00 0.77 0.00 0.00 58.65 59.21 1xyx h GLN 223 Cb 0.38 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1xyx h GLN 223 CO 0.03 0.80 0.03 0.00 -1.93 0.00 0.00 178.83 177.75 1xyx h ALA 224 N 1.22 1.85 0.00 3.38 0.00 -1.31 0.13 119.26 124.54 1xyx h ALA 224 Ca 0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1xyx h ALA 224 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xyx h ALA 224 CO 0.04 -0.04 -0.22 -0.92 0.00 0.00 0.00 179.25 178.10 1xyx h TYR 225 N 0.00 0.00 -0.63 0.00 3.20 -1.15 -2.23 116.97 116.16 1xyx h TYR 225 Ca 0.01 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1xyx h TYR 225 Cb 0.06 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1xyx h TYR 225 CO 0.00 0.50 0.41 1.88 -1.64 0.00 0.00 178.16 179.32 1xyx h TYR 226 N -1.00 0.67 0.00 -3.82 0.05 -0.48 -2.29 116.97 110.10 1xyx h TYR 226 Ca -0.04 0.02 -0.22 0.00 0.05 0.00 0.00 58.73 58.53 1xyx h TYR 226 Cb 0.55 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 1xyx h TYR 226 CO 0.07 0.38 -1.55 -3.47 -1.05 0.00 0.00 178.16 172.54 1xyx n ASP 227 N -4.47 0.87 -1.46 3.88 2.03 0.45 -4.33 116.55 113.52 1xyx n ASP 227 Ca 0.08 0.40 -0.06 0.00 0.52 0.00 0.00 54.79 55.73 1xyx n ASP 227 Cb 0.18 0.05 0.03 0.00 -0.72 0.00 0.00 41.12 40.66 1xyx n ASP 227 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xyx n GLY 228 N 1.47 2.86 0.23 0.27 0.00 -0.84 -3.33 105.19 105.86 1xyx n GLY 228 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1xyx n GLY 228 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xyx n ARG 229 N 0.58 0.00 -1.20 1.61 -4.01 -1.23 -4.90 116.66 107.52 1xyx n ARG 229 Ca 0.13 -0.66 -0.20 0.00 -1.04 0.00 0.00 57.85 56.08 1xyx n ARG 229 Cb 0.64 -0.45 0.15 0.00 -3.04 0.00 0.00 32.46 29.76 1xyx n ARG 229 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1xyx n ARG 230 N 0.00 2.36 -1.18 2.89 5.12 -1.21 -4.67 116.66 119.96 1xyx n ARG 230 Ca 0.00 -3.27 -0.36 0.00 -1.93 0.00 0.00 57.85 52.29 1xyx n ARG 230 Cb 0.58 -2.09 -0.03 0.00 -1.16 0.00 0.00 32.46 29.77 1xyx n ARG 230 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1xyx n SER 231 N -1.04 4.67 0.00 0.55 3.41 -1.26 -5.20 113.62 114.75 1xyx n SER 231 Ca 0.50 -2.59 0.09 0.00 -0.26 0.00 0.00 58.87 56.60 1xyx n SER 231 Cb 1.15 -1.31 0.51 0.00 -0.26 0.00 0.00 64.21 64.30 1xyx n SER 231 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64