#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whr s SER 127 N 0.00 2.14 0.26 1.61 0.01 -1.26 -5.14 113.70 111.32 1whr s SER 127 Ca 0.00 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 56.91 1whr s SER 127 Cb 0.00 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 1whr s SER 127 CO 0.00 0.22 0.29 -0.44 0.41 0.00 0.00 173.24 173.72 1whr s SER 128 N -0.40 0.58 0.00 2.44 0.01 -1.26 -5.01 113.70 110.06 1whr s SER 128 Ca 0.06 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 55.92 1whr s SER 128 Cb -0.07 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1whr s SER 128 CO -0.01 -1.03 0.00 0.61 0.41 0.00 0.00 173.24 173.22 1whr n GLY 129 N -0.42 0.49 3.61 3.44 0.00 -1.26 -4.96 105.19 106.08 1whr n GLY 129 Ca 0.02 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1whr n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whr s SER 130 N -2.47 5.84 -0.07 1.61 0.01 -1.26 -4.95 113.70 112.40 1whr s SER 130 Ca 0.00 1.69 -0.05 0.00 1.31 0.00 0.00 55.95 58.90 1whr s SER 130 Cb 0.00 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.74 1whr s SER 130 CO 0.00 -1.69 0.18 -0.55 0.41 0.00 0.00 173.24 171.59 1whr s SER 131 N 6.55 -0.18 0.00 2.44 0.15 -1.26 -4.97 113.70 116.43 1whr s SER 131 Ca 0.87 0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1whr s SER 131 Cb -0.29 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1whr s SER 131 CO 0.34 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1whr n GLY 132 N 3.56 -1.47 3.44 9.45 0.00 -1.26 -5.13 105.19 113.78 1whr n GLY 132 Ca -0.19 0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 1whr n GLY 132 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1whr n THR 133 N -0.34 1.70 -3.94 2.61 5.66 -1.26 -4.95 114.28 113.76 1whr n THR 133 Ca 0.00 -0.50 -0.32 0.00 -3.05 0.00 0.00 64.05 60.18 1whr n THR 133 Cb 0.00 -0.50 -0.14 0.00 -1.55 0.00 0.00 70.33 68.14 1whr n THR 133 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1whr s ASP 134 N -0.94 4.82 1.12 1.09 1.01 -1.26 -5.11 116.67 117.41 1whr s ASP 134 Ca 0.63 -2.31 -0.13 0.00 0.71 0.00 0.00 52.55 51.45 1whr s ASP 134 Cb -0.62 -1.68 0.26 0.00 1.01 0.00 0.00 42.92 41.89 1whr s ASP 134 CO 0.58 -0.39 1.05 -0.94 0.21 0.00 0.00 175.17 175.68 1whr s SER 135 N 0.89 1.36 -0.19 0.27 1.04 -1.26 -5.07 113.70 110.74 1whr s SER 135 Ca 0.12 1.49 -0.17 0.00 0.48 0.00 0.00 55.95 57.86 1whr s SER 135 Cb -0.21 -2.24 0.05 0.00 0.10 0.00 0.00 66.02 63.73 1whr s SER 135 CO -0.06 -3.96 0.50 0.28 0.98 0.00 0.00 173.24 170.99 1whr s THR 136 N -2.57 -0.00 -0.75 2.02 -1.32 -1.26 -5.09 115.64 106.68 1whr s THR 136 Ca 0.68 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 61.19 1whr s THR 136 Cb -0.24 -0.71 0.29 0.00 -1.51 0.00 0.00 72.50 70.34 1whr s THR 136 CO 0.63 0.00 1.04 0.61 -2.21 0.00 0.00 174.62 174.69 1whr n GLY 137 N 2.87 5.21 3.92 6.08 0.00 -1.26 -5.05 105.19 116.95 1whr n GLY 137 Ca -0.14 -2.74 -0.30 0.00 0.00 0.00 0.00 46.02 42.84 1whr n GLY 137 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1whr s ILE 138 N -3.21 5.26 -0.43 -0.61 -4.36 -1.26 -4.32 121.20 112.26 1whr s ILE 138 Ca 0.40 -0.28 -0.05 0.00 -0.26 0.00 0.00 60.65 60.46 1whr s ILE 138 Cb 0.17 -3.67 0.05 0.00 1.25 0.00 0.00 42.46 40.26 1whr s ILE 138 CO -0.03 -0.01 0.14 0.47 0.24 0.00 0.00 174.94 175.75 1whr n ASP 139 N -0.14 -1.19 -0.15 4.36 8.00 -1.26 -4.76 116.55 121.41 1whr n ASP 139 Ca -0.04 0.10 -0.08 0.00 0.71 0.00 0.00 54.79 55.47 1whr n ASP 139 Cb 0.52 -1.13 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 1whr n ASP 139 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1whr h LEU 140 N -0.20 -1.29 -0.38 0.64 3.38 -1.98 -1.36 115.31 114.13 1whr h LEU 140 Ca -0.14 0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.12 1whr h LEU 140 Cb 1.09 0.59 -0.09 0.00 0.09 0.00 0.00 40.66 42.34 1whr h LEU 140 CO 0.21 -0.34 -0.33 -0.74 0.09 0.00 0.00 178.44 177.32 1whr h HIS 141 N -0.27 -0.93 -0.52 1.13 2.76 -1.95 0.87 115.15 116.25 1whr h HIS 141 Ca 0.17 0.06 0.09 0.00 -2.20 0.00 0.00 60.37 58.49 1whr h HIS 141 Cb 0.56 0.46 -0.10 0.00 1.55 0.00 0.00 27.41 29.88 1whr h HIS 141 CO -0.61 -0.39 -0.37 0.93 -1.30 0.00 0.00 177.93 176.19 1whr h GLU 142 N -0.27 -0.21 0.34 5.26 4.39 -1.64 0.87 114.58 123.32 1whr h GLU 142 Ca 0.16 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1whr h GLU 142 Cb 0.54 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1whr h GLU 142 CO -0.53 -0.14 -0.22 0.35 -1.16 0.00 0.00 179.01 177.32 1whr h PHE 143 N -0.22 -0.57 -0.07 4.33 3.57 -0.69 -2.09 116.94 121.20 1whr h PHE 143 Ca 0.20 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1whr h PHE 143 Cb 0.56 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1whr h PHE 143 CO -0.63 -0.34 -0.24 -0.07 -2.23 0.00 0.00 178.31 174.80 1whr h LEU 144 N -0.54 -0.77 -0.70 0.59 3.38 -0.02 -1.32 115.31 115.93 1whr h LEU 144 Ca -0.03 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.12 1whr h LEU 144 Cb 0.45 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 41.39 1whr h LEU 144 CO 0.03 -0.21 -0.49 0.58 0.09 0.00 0.00 178.44 178.44 1whr h VAL 145 N -0.25 0.04 -0.74 1.22 2.07 -0.86 0.71 116.25 118.44 1whr h VAL 145 Ca 0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.68 1whr h VAL 145 Cb 0.30 0.04 -0.14 0.00 -1.52 0.00 0.00 31.29 29.96 1whr h VAL 145 CO -0.20 0.00 -0.21 0.78 0.02 0.00 0.00 177.57 177.96 1whr h ASN 146 N -0.17 -0.77 0.06 0.57 2.35 -0.96 0.46 115.58 117.13 1whr h ASN 146 Ca 0.18 0.23 0.02 0.00 -0.55 0.00 0.00 56.30 56.18 1whr h ASN 146 Cb 0.54 0.49 -0.03 0.00 0.05 0.00 0.00 38.32 39.36 1whr h ASN 146 CO -0.77 -0.26 -0.21 0.74 -1.65 0.00 0.00 177.43 175.28 1whr h THR 147 N -0.02 0.52 0.00 2.81 2.02 0.26 0.65 112.91 119.15 1whr h THR 147 Ca 0.35 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.52 1whr h THR 147 Cb 0.55 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1whr h THR 147 CO -0.77 0.00 -0.05 -0.07 0.37 0.00 0.00 175.52 175.00 1whr h LEU 148 N -0.37 0.00 0.12 2.58 3.38 -0.09 0.78 115.31 121.72 1whr h LEU 148 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1whr h LEU 148 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1whr h LEU 148 CO -0.15 0.05 -0.06 0.11 0.09 0.00 0.00 178.44 178.48 1whr h LYS 149 N 0.00 -0.16 0.00 1.13 1.79 0.12 -3.22 116.57 116.23 1whr h LYS 149 Ca -0.00 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1whr h LYS 149 Cb 0.24 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1whr h LYS 149 CO 0.01 -0.11 -0.32 0.87 -1.08 0.00 0.00 179.45 178.82 1whr h LYS 150 N -0.61 0.00 -3.15 3.15 1.57 -0.91 -3.35 116.57 113.26 1whr h LYS 150 Ca -0.02 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.13 1whr h LYS 150 Cb 0.13 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.02 1whr h LYS 150 CO 0.03 0.32 -0.56 -0.80 -0.57 0.00 0.00 179.45 177.87 1whr s ASN 151 N -6.41 4.79 0.51 0.86 0.01 0.27 -4.91 114.94 110.07 1whr s ASN 151 Ca -0.00 -3.69 0.30 0.00 -0.71 0.00 0.00 52.86 48.75 1whr s ASN 151 Cb 0.11 -1.65 1.25 0.00 0.41 0.00 0.00 41.25 41.37 1whr s ASN 151 CO 0.67 -0.12 1.95 1.55 -1.51 0.00 0.00 177.10 179.64 1whr h PRO 152 N 5.63 0.00 -0.02 -0.60 0.13 -1.70 -3.06 132.00 132.39 1whr h PRO 152 Ca 0.10 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.00 1whr h PRO 152 Cb 0.78 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.93 1whr h PRO 152 CO 0.72 0.10 -0.90 -0.09 -0.23 0.00 0.00 178.00 177.60 1whr h ARG 153 N 0.00 0.64 -1.01 0.86 1.12 -1.91 -3.18 114.38 110.89 1whr h ARG 153 Ca -0.00 -0.66 0.29 0.00 -1.11 0.00 0.00 59.98 58.50 1whr h ARG 153 Cb 0.56 0.18 -0.04 0.00 -0.01 0.00 0.00 29.97 30.67 1whr h ARG 153 CO 0.01 1.26 0.78 0.22 -3.11 0.00 0.00 179.97 179.14 1whr h ASP 154 N 0.28 0.00 -0.39 -3.80 1.82 -1.88 -2.74 116.42 109.70 1whr h ASP 154 Ca -0.11 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.57 1whr h ASP 154 Cb 1.56 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.53 1whr h ASP 154 CO 0.18 0.00 -0.23 0.54 -1.61 0.00 0.00 179.24 178.11 1whr n ARG 155 N -4.07 -0.17 -0.34 0.28 1.74 -1.20 -0.21 116.66 112.69 1whr n ARG 155 Ca 0.21 0.95 -0.07 0.00 -0.77 0.00 0.00 57.85 58.17 1whr n ARG 155 Cb 1.12 -1.40 -0.06 0.00 -1.02 0.00 0.00 32.46 31.11 1whr n ARG 155 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1whr n MET 156 N -3.90 -0.33 0.00 5.56 2.81 -1.03 -0.08 117.12 120.15 1whr n MET 156 Ca 0.01 1.25 0.00 0.00 -1.81 0.00 0.00 57.70 57.15 1whr n MET 156 Cb 0.10 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 30.77 1whr n MET 156 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1whr n MET 157 N -5.07 0.00 -0.17 0.03 0.00 0.71 -1.08 117.12 111.55 1whr n MET 157 Ca 0.03 0.64 -0.10 0.00 -0.00 0.00 0.00 57.70 58.26 1whr n MET 157 Cb 0.24 -1.33 -0.08 0.00 0.00 0.00 0.00 33.22 32.05 1whr n MET 157 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1whr h LEU 158 N 0.00 -1.54 -0.88 -0.89 3.38 -0.98 -0.04 115.31 114.37 1whr h LEU 158 Ca 0.00 0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.36 1whr h LEU 158 Cb 0.00 0.64 -0.17 0.00 0.09 0.00 0.00 40.66 41.23 1whr h LEU 158 CO 0.00 -0.28 -0.21 0.18 0.09 0.00 0.00 178.44 178.21 1whr n LEU 159 N -4.80 -0.31 0.07 1.67 4.77 0.88 0.48 117.00 119.75 1whr n LEU 159 Ca -0.02 1.51 -0.12 0.00 -0.03 0.00 0.00 56.01 57.36 1whr n LEU 159 Cb 0.25 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 1whr n LEU 159 CO -0.03 -1.45 0.74 0.50 -1.33 0.00 0.00 177.39 175.82 1whr h LYS 160 N 0.00 -0.32 0.11 3.23 3.64 0.64 0.25 116.57 124.13 1whr h LYS 160 Ca 0.42 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1whr h LYS 160 Cb 0.65 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1whr h LYS 160 CO -0.90 -0.21 -0.16 -0.07 -2.27 0.00 0.00 179.45 175.84 1whr h LEU 161 N -0.33 -0.45 -0.18 5.20 3.38 0.59 -0.57 115.31 122.95 1whr h LEU 161 Ca 0.04 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1whr h LEU 161 Cb 0.38 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1whr h LEU 161 CO -0.15 -0.24 -0.23 -0.08 0.09 0.00 0.00 178.44 177.83 1whr h GLU 162 N -0.32 -0.25 0.38 1.13 4.81 -0.58 -0.43 114.58 119.32 1whr h GLU 162 Ca 0.02 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1whr h GLU 162 Cb 0.34 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1whr h GLU 162 CO -0.08 -0.17 -0.44 1.96 -0.73 0.00 0.00 179.01 179.55 1whr h GLN 163 N -0.26 -0.82 -0.78 1.92 1.08 -0.73 -0.28 115.11 115.24 1whr h GLN 163 Ca 0.12 0.06 0.18 0.00 -1.45 0.00 0.00 58.65 57.55 1whr h GLN 163 Cb 0.44 0.19 -0.12 0.00 -0.05 0.00 0.00 27.48 27.94 1whr h GLN 163 CO -0.34 -0.55 0.17 0.93 -0.95 0.00 0.00 178.83 178.10 1whr h GLU 164 N -0.85 0.23 0.23 1.46 4.39 -0.82 -1.04 114.58 118.18 1whr h GLU 164 Ca -0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1whr h GLU 164 Cb 0.77 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1whr h GLU 164 CO -0.10 0.15 -0.11 0.82 -1.16 0.00 0.00 179.01 178.61 1whr h ILE 165 N 0.24 0.79 -0.55 3.13 2.04 -0.58 -2.02 117.51 120.55 1whr h ILE 165 Ca 0.45 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 66.32 1whr h ILE 165 Cb 0.81 0.83 -0.10 0.00 -0.74 0.00 0.00 36.82 37.62 1whr h ILE 165 CO -0.57 0.02 -0.42 -0.07 0.00 0.00 0.00 178.15 177.11 1whr h LEU 166 N -0.34 -1.44 -0.91 1.44 3.38 0.24 0.18 115.31 117.85 1whr h LEU 166 Ca -0.03 0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1whr h LEU 166 Cb 0.26 0.66 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 1whr h LEU 166 CO 0.05 -0.34 0.57 -0.33 0.09 0.00 0.00 178.44 178.48 1whr h GLU 167 N -0.24 0.98 -0.67 1.13 5.08 -1.33 -0.98 114.58 118.54 1whr h GLU 167 Ca 0.18 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1whr h GLU 167 Cb 0.56 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1whr h GLU 167 CO -0.67 0.65 0.44 0.35 -1.00 0.00 0.00 179.01 178.78 1whr h PHE 168 N 1.01 0.86 0.00 4.33 3.57 0.01 -0.23 116.94 126.49 1whr h PHE 168 Ca 0.41 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 1whr h PHE 168 Cb 0.24 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1whr h PHE 168 CO -0.02 0.55 -0.00 0.82 -2.23 0.00 0.00 178.31 177.42 1whr h ILE 169 N 0.92 1.35 -0.90 1.41 2.04 0.33 -3.19 117.51 119.47 1whr h ILE 169 Ca 0.25 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1whr h ILE 169 Cb -0.09 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1whr h ILE 169 CO -0.05 0.27 0.58 -1.13 0.00 0.00 0.00 178.15 177.82 1whr h ASN 170 N -0.45 1.04 -3.38 1.72 -0.73 -1.10 -3.42 115.58 109.26 1whr h ASN 170 Ca -0.00 -0.04 -0.53 0.00 1.87 0.00 0.00 56.30 57.61 1whr h ASN 170 Cb 0.45 -0.26 0.06 0.00 0.27 0.00 0.00 38.32 38.84 1whr h ASN 170 CO 0.00 0.77 0.76 -0.62 -0.37 0.00 0.00 177.43 177.97 1whr s ASP 171 N -6.23 6.64 -0.21 1.15 2.15 -0.12 -4.94 116.67 115.11 1whr s ASP 171 Ca -0.12 2.68 -0.08 0.00 0.43 0.00 0.00 52.55 55.45 1whr s ASP 171 Cb 0.18 -2.62 -0.19 0.00 -0.30 0.00 0.00 42.92 39.98 1whr s ASP 171 CO 0.81 -0.71 0.00 -3.20 -0.17 0.00 0.00 175.17 171.90 1whr n ASN 172 N 2.33 2.00 -0.32 -0.34 2.85 -1.26 -4.38 115.26 116.14 1whr n ASN 172 Ca 0.07 0.17 0.11 0.00 -0.11 0.00 0.00 54.58 54.82 1whr n ASN 172 Cb 0.40 -0.73 0.24 0.00 1.24 0.00 0.00 39.78 40.93 1whr n ASN 172 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 1whr h ASN 173 N -0.37 -0.43 -3.49 1.20 4.21 -1.95 -3.35 115.58 111.41 1whr h ASN 173 Ca -0.52 0.25 -0.60 0.00 1.21 0.00 0.00 56.30 56.64 1whr h ASN 173 Cb 1.78 0.44 -0.11 0.00 -1.12 0.00 0.00 38.32 39.30 1whr h ASN 173 CO -0.13 -0.29 0.03 0.20 -1.29 0.00 0.00 177.43 175.95 1whr s ASN 174 N -5.08 6.55 -0.26 5.81 -0.87 -1.26 -4.94 114.94 114.89 1whr s ASN 174 Ca -0.13 0.66 -0.00 0.00 -1.57 0.00 0.00 52.86 51.82 1whr s ASN 174 Cb 0.27 -2.31 -0.17 0.00 -0.02 0.00 0.00 41.25 39.02 1whr s ASN 174 CO 0.77 -0.26 -0.22 0.00 -2.57 0.00 0.00 177.10 174.82 1whr n GLN 175 N 5.19 0.65 -4.34 -0.60 6.02 -1.26 -4.89 117.38 118.15 1whr n GLN 175 Ca -0.03 0.17 -0.24 0.00 -0.01 0.00 0.00 57.00 56.89 1whr n GLN 175 Cb 0.50 -1.52 -0.08 0.00 1.02 0.00 0.00 30.24 30.15 1whr n GLN 175 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1whr s PHE 176 N -2.52 2.57 -0.05 1.08 0.40 -1.26 -2.69 117.98 115.51 1whr s PHE 176 Ca -0.35 -0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 55.67 1whr s PHE 176 Cb 0.10 -1.21 0.04 0.00 0.51 0.00 0.00 43.02 42.45 1whr s PHE 176 CO 0.59 0.61 0.09 0.21 0.70 0.00 0.00 175.22 177.43 1whr s LYS 177 N -3.65 0.02 -0.22 0.44 2.20 -0.83 -5.01 119.74 112.70 1whr s LYS 177 Ca 0.32 0.32 -0.01 0.00 -0.36 0.00 0.00 55.97 56.24 1whr s LYS 177 Cb -0.05 -0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.04 1whr s LYS 177 CO 0.19 -0.20 -0.10 0.21 -0.36 0.00 0.00 175.35 175.09 1whr s LYS 178 N 1.36 3.03 0.36 4.03 2.20 -1.26 -0.94 119.74 128.52 1whr s LYS 178 Ca -0.06 -0.84 -0.20 0.00 -0.36 0.00 0.00 55.97 54.51 1whr s LYS 178 Cb -0.12 -2.87 -0.10 0.00 -1.51 0.00 0.00 37.83 33.22 1whr s LYS 178 CO -0.04 -0.29 0.86 -0.06 -0.36 0.00 0.00 175.35 175.46 1whr s PHE 179 N 1.36 3.41 0.73 4.03 0.08 -1.18 -5.05 117.98 121.36 1whr s PHE 179 Ca 0.03 1.49 -0.12 0.00 0.12 0.00 0.00 56.93 58.45 1whr s PHE 179 Cb -0.15 -2.74 0.04 0.00 -0.57 0.00 0.00 43.02 39.60 1whr s PHE 179 CO -0.07 0.04 1.10 -1.25 -0.10 0.00 0.00 175.22 174.94 1whr s PRO 180 N -2.85 2.44 -0.08 0.24 0.04 -1.26 -4.54 135.00 128.99 1whr s PRO 180 Ca 0.56 1.24 -0.40 0.00 0.04 0.00 0.00 61.00 62.44 1whr s PRO 180 Cb -0.11 -1.91 -0.20 0.00 0.04 0.00 0.00 34.50 32.32 1whr s PRO 180 CO 0.17 -1.51 1.14 1.04 0.04 0.00 0.00 177.00 177.87 1whr n GLN 181 N -3.16 0.00 -4.19 4.56 6.02 -1.26 -4.94 117.38 114.41 1whr n GLN 181 Ca 0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.91 1whr n GLN 181 Cb 0.53 -1.47 -0.12 0.00 1.02 0.00 0.00 30.24 30.20 1whr n GLN 181 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1whr s MET 182 N 0.48 0.88 0.90 -1.09 -1.94 -1.26 -5.10 119.30 112.18 1whr s MET 182 Ca 0.92 -1.07 -0.14 0.00 -1.71 0.00 0.00 55.69 53.69 1whr s MET 182 Cb -1.28 -0.82 0.14 0.00 2.01 0.00 0.00 34.83 34.89 1whr s MET 182 CO 0.60 0.17 1.23 0.95 -0.01 0.00 0.00 175.02 177.96 1whr s THR 183 N -1.68 1.98 0.03 2.05 -4.23 -1.26 -4.64 115.64 107.90 1whr s THR 183 Ca 0.02 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 1whr s THR 183 Cb -0.08 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 1whr s THR 183 CO 0.02 0.00 1.14 -1.28 -0.54 0.00 0.00 174.62 173.96 1whr h SER 184 N -1.41 -0.46 -0.32 3.99 0.87 -2.01 0.20 113.55 114.41 1whr h SER 184 Ca -0.46 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.21 1whr h SER 184 Cb 1.29 0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 63.36 1whr h SER 184 CO 0.52 -0.11 -0.55 0.22 -0.53 0.00 0.00 176.83 176.39 1whr h TYR 185 N -0.11 -1.67 -0.21 2.24 3.20 -2.00 -1.73 116.97 116.70 1whr h TYR 185 Ca 0.02 0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1whr h TYR 185 Cb 0.15 0.77 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 1whr h TYR 185 CO -0.60 -0.51 -0.27 0.45 -1.64 0.00 0.00 178.16 175.59 1whr h HIS 186 N -0.46 -0.82 -0.99 -3.82 3.86 -1.84 -0.46 115.15 110.62 1whr h HIS 186 Ca 0.06 0.04 0.25 0.00 -1.16 0.00 0.00 60.37 59.56 1whr h HIS 186 Cb 0.63 0.38 -0.19 0.00 1.06 0.00 0.00 27.41 29.29 1whr h HIS 186 CO -0.68 -0.23 -0.08 0.54 0.86 0.00 0.00 177.93 178.34 1whr n ARG 187 N -3.97 -0.08 0.13 2.45 1.74 0.67 -1.22 116.66 116.36 1whr n ARG 187 Ca -0.02 1.51 -0.07 0.00 -0.77 0.00 0.00 57.85 58.50 1whr n ARG 187 Cb 0.16 -2.35 -0.04 0.00 -1.02 0.00 0.00 32.46 29.21 1whr n ARG 187 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1whr h MET 188 N 0.00 -0.40 -0.86 5.56 4.05 -0.20 -1.28 114.93 121.79 1whr h MET 188 Ca 0.56 0.03 0.16 0.00 -0.28 0.00 0.00 59.70 60.16 1whr h MET 188 Cb 1.05 0.09 -0.16 0.00 -0.80 0.00 0.00 31.60 31.78 1whr h MET 188 CO -0.97 -0.27 -0.26 1.28 0.23 0.00 0.00 176.91 176.92 1whr n LEU 189 N -3.56 -0.40 0.37 3.39 4.77 -0.36 -0.39 117.00 120.82 1whr n LEU 189 Ca -0.05 1.49 -0.19 0.00 -0.03 0.00 0.00 56.01 57.23 1whr n LEU 189 Cb 0.19 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1whr n LEU 189 CO 0.11 -1.40 0.55 0.25 -1.33 0.00 0.00 177.39 175.57 1whr h LEU 190 N 0.00 -1.26 -1.32 2.23 5.85 -1.17 -1.99 115.31 117.64 1whr h LEU 190 Ca 0.37 0.08 0.42 0.00 0.84 0.00 0.00 57.88 59.60 1whr h LEU 190 Cb 0.59 0.39 -0.13 0.00 0.37 0.00 0.00 40.66 41.87 1whr h LEU 190 CO -0.88 -0.70 0.79 0.45 -0.34 0.00 0.00 178.44 177.76 1whr h HIS 191 N -1.10 0.60 0.33 1.25 3.86 0.49 0.22 115.15 120.80 1whr h HIS 191 Ca -0.08 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1whr h HIS 191 Cb 0.91 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1whr h HIS 191 CO -0.16 -0.23 -0.16 0.00 0.86 0.00 0.00 177.93 178.24 1whr h ARG 192 N 0.11 -0.43 0.16 2.45 2.47 -0.60 -2.20 114.38 116.34 1whr h ARG 192 Ca 0.81 0.03 0.02 0.00 -1.26 0.00 0.00 59.98 59.58 1whr h ARG 192 Cb 2.43 0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 30.80 1whr h ARG 192 CO -0.47 -0.11 -0.38 0.28 0.56 0.00 0.00 179.97 179.86 1whr h VAL 193 N -0.82 0.23 -0.13 2.04 2.07 -0.04 0.18 116.25 119.78 1whr h VAL 193 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1whr h VAL 193 Cb 0.52 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1whr h VAL 193 CO 0.07 0.00 -0.46 0.00 0.02 0.00 0.00 177.57 177.20 1whr h ALA 194 N -0.10 -0.69 -0.17 1.67 0.00 -1.22 0.22 119.26 118.96 1whr h ALA 194 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1whr h ALA 194 Cb 0.65 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1whr h ALA 194 CO -0.20 -0.98 0.21 0.00 0.00 0.00 0.00 179.25 178.28 1whr h ALA 195 N -0.03 1.77 0.00 0.00 0.00 -1.19 0.33 119.26 120.14 1whr h ALA 195 Ca 0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 1whr h ALA 195 Cb 0.65 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1whr h ALA 195 CO -0.41 -0.30 -0.93 -0.92 0.00 0.00 0.00 179.25 176.69 1whr h TYR 196 N 0.00 0.52 -0.31 0.00 5.03 0.15 -3.11 116.97 119.26 1whr h TYR 196 Ca 0.08 -0.29 -0.01 0.00 2.58 0.00 0.00 58.73 61.10 1whr h TYR 196 Cb 0.50 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 1whr h TYR 196 CO 0.00 1.11 0.01 1.19 -1.32 0.00 0.00 178.16 179.15 1whr n PHE 197 N -3.72 1.10 -3.57 -3.82 3.01 -0.01 -4.88 117.46 105.57 1whr n PHE 197 Ca -0.06 -0.40 -0.21 0.00 1.01 0.00 0.00 57.45 57.79 1whr n PHE 197 Cb 0.83 -0.33 0.07 0.00 -0.01 0.00 0.00 39.48 40.05 1whr n PHE 197 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1whr n GLY 198 N 0.30 -0.43 3.67 1.37 0.00 -1.06 -4.14 105.19 104.91 1whr n GLY 198 Ca 0.15 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 1whr n GLY 198 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1whr s MET 199 N -5.89 2.94 -0.73 1.61 -1.94 -0.51 -4.17 119.30 110.61 1whr s MET 199 Ca 0.26 -0.44 -0.12 0.00 -1.71 0.00 0.00 55.69 53.68 1whr s MET 199 Cb -0.12 -2.76 0.19 0.00 2.01 0.00 0.00 34.83 34.15 1whr s MET 199 CO 0.75 0.69 0.65 0.34 -0.01 0.00 0.00 175.02 177.44 1whr s ASP 200 N -0.96 6.36 0.52 3.03 -1.08 -1.26 -4.22 116.67 119.05 1whr s ASP 200 Ca 0.14 -2.54 0.00 0.00 -0.52 0.00 0.00 52.55 49.63 1whr s ASP 200 Cb -0.11 -2.14 0.02 0.00 -1.46 0.00 0.00 42.92 39.23 1whr s ASP 200 CO 0.03 -0.59 0.75 -1.38 0.52 0.00 0.00 175.17 174.50 1whr s HIS 201 N 0.41 3.03 0.21 -5.34 -3.43 -1.26 -4.05 115.29 104.86 1whr s HIS 201 Ca 0.15 0.14 -0.23 0.00 -0.80 0.00 0.00 55.06 54.33 1whr s HIS 201 Cb -0.16 -2.59 0.05 0.00 -1.43 0.00 0.00 32.58 28.45 1whr s HIS 201 CO -0.06 -0.68 0.71 1.21 -2.00 0.00 0.00 174.74 173.92 1whr s ASN 202 N -4.34 -0.37 0.42 7.38 2.47 -0.17 -5.00 114.94 115.33 1whr s ASN 202 Ca 0.53 -0.33 -0.10 0.00 0.42 0.00 0.00 52.86 53.38 1whr s ASN 202 Cb -0.10 0.64 -0.06 0.00 -1.45 0.00 0.00 41.25 40.28 1whr s ASN 202 CO 0.39 -1.13 0.78 0.68 -3.72 0.00 0.00 177.10 174.11 1whr s VAL 203 N -3.75 4.79 0.94 -5.21 -7.23 -1.26 -1.03 120.40 107.65 1whr s VAL 203 Ca 0.07 0.59 -0.12 0.00 -1.81 0.00 0.00 61.98 60.71 1whr s VAL 203 Cb -0.03 -3.75 0.15 0.00 0.56 0.00 0.00 36.38 33.31 1whr s VAL 203 CO -0.02 -0.58 1.11 -0.62 -0.31 0.00 0.00 175.10 174.68 1whr s ASP 204 N -3.30 3.20 0.16 4.85 2.15 -1.11 -4.83 116.67 117.79 1whr s ASP 204 Ca 0.51 1.15 -0.17 0.00 0.43 0.00 0.00 52.55 54.46 1whr s ASP 204 Cb -0.10 -1.79 0.11 0.00 -0.30 0.00 0.00 42.92 40.84 1whr s ASP 204 CO 0.34 -2.77 1.22 1.67 -0.17 0.00 0.00 175.17 175.46 1whr n GLN 205 N -3.93 -0.24 -0.00 4.34 -0.06 -1.26 -1.13 117.38 115.10 1whr n GLN 205 Ca 0.06 1.21 -0.15 0.00 -2.00 0.00 0.00 57.00 56.11 1whr n GLN 205 Cb 0.58 -1.78 -0.14 0.00 -4.06 0.00 0.00 30.24 24.83 1whr n GLN 205 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 1whr h THR 206 N 0.00 0.74 0.00 1.69 1.35 -1.97 -3.36 112.91 111.36 1whr h THR 206 Ca 0.23 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 1whr h THR 206 Cb 0.42 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1whr h THR 206 CO -0.77 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 1whr n GLY 207 N 1.78 1.94 0.10 5.82 0.00 -0.28 -4.95 105.19 109.60 1whr n GLY 207 Ca -0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1whr n GLY 207 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1whr h LYS 208 N 0.00 0.20 -4.20 1.61 1.63 -1.95 -3.45 116.57 110.41 1whr h LYS 208 Ca 0.00 -0.10 -0.18 0.00 -0.85 0.00 0.00 60.65 59.52 1whr h LYS 208 Cb 0.00 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 31.44 1whr h LYS 208 CO 0.00 0.62 -0.70 0.00 -3.45 0.00 0.00 179.45 175.92 1whr s ALA 209 N -4.32 0.38 0.08 5.00 0.00 -1.26 -4.84 121.76 116.79 1whr s ALA 209 Ca -0.15 -0.86 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1whr s ALA 209 Cb 0.04 0.17 -0.07 0.00 0.00 0.00 0.00 23.12 23.26 1whr s ALA 209 CO 0.72 -0.21 0.62 0.54 0.00 0.00 0.00 175.76 177.43 1whr s VAL 210 N -2.35 4.67 0.04 0.00 0.11 -1.26 -2.73 120.40 118.88 1whr s VAL 210 Ca -0.06 1.34 0.08 0.00 -2.93 0.00 0.00 61.98 60.41 1whr s VAL 210 Cb -0.03 -3.96 -0.03 0.00 -1.53 0.00 0.00 36.38 30.83 1whr s VAL 210 CO -0.04 0.53 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.40 1whr s ILE 211 N -1.00 1.91 0.43 7.04 1.01 -0.20 -3.13 121.20 127.27 1whr s ILE 211 Ca 0.31 -1.28 0.05 0.00 0.00 0.00 0.00 60.65 59.73 1whr s ILE 211 Cb -0.20 -1.64 -0.06 0.00 0.01 0.00 0.00 42.46 40.56 1whr s ILE 211 CO 0.21 0.31 0.01 0.27 0.00 0.00 0.00 174.94 175.73 1whr s ILE 212 N -0.79 1.71 -0.02 2.92 -4.36 -0.12 -1.00 121.20 119.54 1whr s ILE 212 Ca 0.10 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.34 1whr s ILE 212 Cb -0.09 -2.76 0.02 0.00 1.25 0.00 0.00 42.46 40.88 1whr s ILE 212 CO 0.02 0.00 0.31 0.21 0.24 0.00 0.00 174.94 175.71 1whr s ASN 213 N -3.74 -0.20 -0.19 4.36 2.47 -1.26 -1.96 114.94 114.43 1whr s ASN 213 Ca 0.27 0.12 -0.16 0.00 0.42 0.00 0.00 52.86 53.52 1whr s ASN 213 Cb 0.08 0.34 -0.04 0.00 -1.45 0.00 0.00 41.25 40.17 1whr s ASN 213 CO 0.14 -0.42 0.38 -0.75 -3.72 0.00 0.00 177.10 172.73 1whr s LYS 214 N -1.22 4.19 0.14 0.43 2.36 -1.09 -4.28 119.74 120.26 1whr s LYS 214 Ca -0.13 0.18 0.09 0.00 -2.55 0.00 0.00 55.97 53.57 1whr s LYS 214 Cb -0.05 -3.52 -0.04 0.00 -1.05 0.00 0.00 37.83 33.17 1whr s LYS 214 CO 0.04 0.01 -0.21 0.95 1.55 0.00 0.00 175.35 177.69 1whr s THR 215 N 1.16 1.88 0.38 3.43 -4.23 -1.26 -5.01 115.64 111.99 1whr s THR 215 Ca 0.19 -1.77 0.15 0.00 -1.18 0.00 0.00 61.69 59.08 1whr s THR 215 Cb -0.14 -1.77 0.36 0.00 1.34 0.00 0.00 72.50 72.28 1whr s THR 215 CO 0.07 -0.15 1.80 0.28 -0.54 0.00 0.00 174.62 176.08 1whr h SER 216 N 3.63 0.52 -0.23 3.99 0.02 -1.97 0.41 113.55 119.92 1whr h SER 216 Ca -0.45 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.59 1whr h SER 216 Cb 1.19 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1whr h SER 216 CO 0.45 0.16 0.15 0.78 -1.14 0.00 0.00 176.83 177.23 1whr h ASN 217 N 0.49 0.21 -2.13 3.07 4.21 -1.95 -3.41 115.58 116.07 1whr h ASN 217 Ca 0.55 -0.00 -0.57 0.00 1.21 0.00 0.00 56.30 57.49 1whr h ASN 217 Cb 1.25 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 38.40 1whr h ASN 217 CO -0.28 0.15 1.35 0.41 -1.29 0.00 0.00 177.43 177.77 1whr n THR 218 N -4.50 0.56 -4.23 2.81 -1.04 0.14 -4.96 114.28 103.06 1whr n THR 218 Ca 0.01 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.05 61.60 1whr n THR 218 Cb 0.12 -2.39 -0.10 0.00 -1.82 0.00 0.00 70.33 66.14 1whr n THR 218 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1whr s ARG 219 N 5.34 1.06 0.23 -2.82 0.52 -1.26 -4.91 118.95 117.11 1whr s ARG 219 Ca 0.95 -1.49 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 1whr s ARG 219 Cb -0.42 -0.32 -0.09 0.00 0.52 0.00 0.00 34.95 34.64 1whr s ARG 219 CO 0.40 -0.08 1.18 0.42 0.02 0.00 0.00 175.30 177.24 1whr s ILE 220 N -3.59 3.45 0.00 1.52 1.01 -1.26 -4.77 121.20 117.55 1whr s ILE 220 Ca 0.21 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1whr s ILE 220 Cb 0.05 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1whr s ILE 220 CO 0.02 0.25 0.00 -0.81 0.00 0.00 0.00 174.94 174.40 1whr n PRO 221 N 1.96 -0.58 0.09 2.79 -0.04 -1.26 -4.99 135.00 132.96 1whr n PRO 221 Ca 0.02 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.27 1whr n PRO 221 Cb 0.44 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.75 1whr n PRO 221 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1whr h GLU 222 N 0.00 0.37 -3.55 0.54 4.39 -1.99 -3.47 114.58 110.88 1whr h GLU 222 Ca 0.00 -0.64 -0.20 0.00 0.34 0.00 0.00 59.36 58.87 1whr h GLU 222 Cb 0.00 0.24 -0.26 0.00 -0.10 0.00 0.00 28.75 28.63 1whr h GLU 222 CO 0.00 1.28 -0.60 1.14 -1.16 0.00 0.00 179.01 179.66 1whr s GLN 223 N -2.60 0.17 0.28 2.33 1.03 -1.26 -5.17 119.66 114.44 1whr s GLN 223 Ca -0.12 0.01 0.09 0.00 0.04 0.00 0.00 55.36 55.38 1whr s GLN 223 Cb 0.06 0.07 -0.04 0.00 0.03 0.00 0.00 33.01 33.13 1whr s GLN 223 CO 0.87 -0.03 0.04 1.03 -2.54 0.00 0.00 175.29 174.67 1whr s ARG 224 N -0.24 2.37 0.55 9.60 0.52 -1.26 -5.00 118.95 125.49 1whr s ARG 224 Ca -0.03 -1.41 0.27 0.00 -0.52 0.00 0.00 55.73 54.05 1whr s ARG 224 Cb -0.02 -2.20 1.46 0.00 0.52 0.00 0.00 34.95 34.70 1whr s ARG 224 CO 0.00 0.32 1.97 0.74 0.02 0.00 0.00 175.30 178.35 1whr h PHE 225 N 1.79 0.00 0.00 -0.53 0.04 -2.01 0.15 116.94 116.38 1whr h PHE 225 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1whr h PHE 225 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1whr h PHE 225 CO 0.66 0.00 0.12 0.45 -0.60 0.00 0.00 178.31 178.94 1whr n SER 226 N -4.15 0.45 0.11 2.17 2.88 -1.26 -0.40 113.62 113.41 1whr n SER 226 Ca 0.10 0.67 -0.04 0.00 -1.33 0.00 0.00 58.87 58.27 1whr n SER 226 Cb 0.65 -0.69 0.08 0.00 -0.75 0.00 0.00 64.21 63.50 1whr n SER 226 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1whr h GLU 227 N 0.00 0.07 0.00 -1.46 4.39 -1.09 -2.54 114.58 113.95 1whr h GLU 227 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1whr h GLU 227 Cb 0.24 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1whr h GLU 227 CO 0.00 0.77 0.00 0.72 -1.16 0.00 0.00 179.01 179.34 1whr n HIS 228 N -3.70 0.81 -1.24 4.33 8.25 0.46 -2.67 115.22 121.47 1whr n HIS 228 Ca -0.02 0.30 0.09 0.00 -0.26 0.00 0.00 57.72 57.83 1whr n HIS 228 Cb 0.71 -0.98 0.15 0.00 1.12 0.00 0.00 29.99 30.99 1whr n HIS 228 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1whr n ILE 229 N -2.22 1.84 -2.99 1.59 -5.35 -1.11 -5.02 119.36 106.10 1whr n ILE 229 Ca 0.03 -2.34 -0.41 0.00 -0.27 0.00 0.00 62.75 59.76 1whr n ILE 229 Cb 0.28 -0.19 -0.05 0.00 -1.74 0.00 0.00 39.64 37.94 1whr n ILE 229 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1whr s LYS 230 N -2.78 4.27 0.30 6.28 2.47 -0.97 -5.03 119.74 124.28 1whr s LYS 230 Ca 0.32 0.85 -0.13 0.00 -1.56 0.00 0.00 55.97 55.44 1whr s LYS 230 Cb 0.29 -3.57 0.01 0.00 -1.46 0.00 0.00 37.83 33.10 1whr s LYS 230 CO 0.01 -0.27 0.59 0.16 0.16 0.00 0.00 175.35 176.00 1whr s ASP 231 N 1.15 0.07 -0.11 1.43 -4.77 -1.26 -5.05 116.67 108.12 1whr s ASP 231 Ca 0.34 -1.00 -0.17 0.00 -3.30 0.00 0.00 52.55 48.42 1whr s ASP 231 Cb -0.16 0.68 -0.27 0.00 -1.09 0.00 0.00 42.92 42.08 1whr s ASP 231 CO 0.12 -1.31 0.56 -0.08 0.70 0.00 0.00 175.17 175.16 1whr h GLU 232 N 2.13 0.22 -6.19 2.11 4.81 -2.05 -3.46 114.58 112.14 1whr h GLU 232 Ca -0.26 -0.37 -0.72 0.00 -0.13 0.00 0.00 59.36 57.88 1whr h GLU 232 Cb 1.25 0.14 0.04 0.00 0.63 0.00 0.00 28.75 30.80 1whr h GLU 232 CO 0.34 1.18 0.58 1.17 -0.73 0.00 0.00 179.01 181.55 1whr n LYS 233 N -4.01 0.97 -4.54 1.92 4.81 -1.26 -4.95 118.16 111.11 1whr n LYS 233 Ca -0.24 0.35 -0.33 0.00 -0.87 0.00 0.00 58.31 57.22 1whr n LYS 233 Cb 0.86 -1.99 -0.15 0.00 0.02 0.00 0.00 35.03 33.77 1whr n LYS 233 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1whr s ASN 234 N 1.60 3.67 -0.04 3.14 0.01 -1.26 -5.12 114.94 116.94 1whr s ASN 234 Ca 0.91 -0.46 -0.01 0.00 -0.71 0.00 0.00 52.86 52.58 1whr s ASN 234 Cb -1.05 -1.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1whr s ASN 234 CO 0.56 0.09 0.05 -0.89 -1.51 0.00 0.00 177.10 175.40 1whr s THR 235 N 0.80 4.60 -0.73 1.60 2.01 -1.26 -5.06 115.64 117.61 1whr s THR 235 Ca -0.05 -0.33 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 1whr s THR 235 Cb -0.15 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.35 1whr s THR 235 CO 0.00 0.45 1.26 -0.70 -0.69 0.00 0.00 174.62 174.94 1whr s GLU 236 N -1.40 3.21 0.41 4.92 2.12 -1.26 -4.99 118.70 121.71 1whr s GLU 236 Ca 0.19 -0.24 -0.25 0.00 0.36 0.00 0.00 54.97 55.02 1whr s GLU 236 Cb -0.12 -4.17 -0.11 0.00 0.26 0.00 0.00 34.13 29.99 1whr s GLU 236 CO 0.09 -2.10 1.10 1.19 -0.54 0.00 0.00 175.26 175.00 1whr n PHE 237 N 9.22 1.53 -3.57 5.30 3.01 -1.26 -4.96 117.46 126.73 1whr n PHE 237 Ca 0.03 0.55 -0.37 0.00 1.01 0.00 0.00 57.45 58.67 1whr n PHE 237 Cb 0.49 -2.28 -0.07 0.00 -0.01 0.00 0.00 39.48 37.61 1whr n PHE 237 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1whr s GLN 238 N -2.03 4.10 0.96 -1.08 -2.07 -1.26 -5.08 119.66 113.19 1whr s GLN 238 Ca 0.62 0.13 -0.11 0.00 -1.82 0.00 0.00 55.36 54.18 1whr s GLN 238 Cb -0.55 -3.36 0.17 0.00 -1.09 0.00 0.00 33.01 28.17 1whr s GLN 238 CO 0.58 0.39 1.10 -1.14 -1.32 0.00 0.00 175.29 174.89 1whr s GLN 239 N 0.01 0.71 0.14 9.60 0.74 -1.26 -5.06 119.66 124.54 1whr s GLN 239 Ca 0.18 1.22 -0.19 0.00 0.05 0.00 0.00 55.36 56.62 1whr s GLN 239 Cb -0.14 -1.72 0.05 0.00 1.10 0.00 0.00 33.01 32.31 1whr s GLN 239 CO 0.06 -2.73 0.49 -0.98 -0.55 0.00 0.00 175.29 171.57 1whr s ARG 240 N -4.68 1.17 -0.15 1.67 3.03 -1.26 -5.16 118.95 113.57 1whr s ARG 240 Ca 0.66 -0.63 0.02 0.00 2.03 0.00 0.00 55.73 57.81 1whr s ARG 240 Cb -0.22 0.52 0.01 0.00 -1.03 0.00 0.00 34.95 34.23 1whr s ARG 240 CO 0.59 -0.48 -0.20 -0.06 -1.13 0.00 0.00 175.30 174.02 1whr s PHE 241 N -3.79 2.73 -0.51 5.89 0.40 -1.26 -5.08 117.98 116.36 1whr s PHE 241 Ca 0.03 -1.33 0.04 0.00 -0.60 0.00 0.00 56.93 55.06 1whr s PHE 241 Cb 0.01 -1.86 0.13 0.00 0.51 0.00 0.00 43.02 41.81 1whr s PHE 241 CO -0.12 -0.62 0.26 0.42 0.70 0.00 0.00 175.22 175.86 1whr s ILE 242 N 0.94 2.36 -0.08 0.64 -1.09 -1.26 -5.08 121.20 117.62 1whr s ILE 242 Ca -0.04 -3.18 -0.29 0.00 -2.23 0.00 0.00 60.65 54.90 1whr s ILE 242 Cb -0.15 -2.64 -0.06 0.00 -1.58 0.00 0.00 42.46 38.04 1whr s ILE 242 CO -0.04 -0.82 1.77 -0.76 -1.23 0.00 0.00 174.94 173.86 1whr s LEU 243 N -0.18 4.18 -0.13 2.97 1.43 -1.26 -4.89 118.68 120.81 1whr s LEU 243 Ca 0.17 2.18 -0.18 0.00 -1.03 0.00 0.00 54.13 55.27 1whr s LEU 243 Cb -0.25 -3.53 -0.26 0.00 0.03 0.00 0.00 46.19 42.18 1whr s LEU 243 CO -0.00 -1.12 0.52 0.77 0.23 0.00 0.00 176.35 176.76 1whr h SER 244 N 10.52 0.27 0.00 2.29 4.64 -2.07 -3.51 113.55 125.69 1whr h SER 244 Ca -0.41 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.10 1whr h SER 244 Cb 1.19 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1whr h SER 244 CO 0.96 1.52 0.00 0.61 -0.87 0.00 0.00 176.83 179.06 1whr n GLY 245 N 1.67 0.85 3.76 -0.77 0.00 -1.26 -5.09 105.19 104.36 1whr n GLY 245 Ca -0.24 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1whr n GLY 245 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whr s PRO 246 N -1.41 4.47 0.15 1.61 0.04 -1.26 -5.04 135.00 133.56 1whr s PRO 246 Ca 0.00 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 1whr s PRO 246 Cb 0.00 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.44 1whr s PRO 246 CO 0.00 -0.03 0.40 -1.54 0.04 0.00 0.00 177.00 175.87 1whr s SER 247 N -0.63 -0.16 -0.57 6.66 1.04 -1.26 -5.12 113.70 113.66 1whr s SER 247 Ca 0.47 -0.50 -0.28 0.00 0.48 0.00 0.00 55.95 56.11 1whr s SER 247 Cb -0.37 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.27 1whr s SER 247 CO 0.48 -0.92 1.19 -0.94 0.98 0.00 0.00 173.24 174.03 1whr s SER 248 N -2.86 6.47 0.00 7.02 1.04 -1.26 -5.30 113.70 118.80 1whr s SER 248 Ca 0.08 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1whr s SER 248 Cb 0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1whr s SER 248 CO -0.07 -1.46 0.08 0.61 0.98 0.00 0.00 173.24 173.39