#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr8 n ALA 133 N 0.00 0.00 -0.64 6.98 0.00 -1.26 -4.79 120.51 120.80 1fr8 n ALA 133 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1fr8 n ALA 133 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1fr8 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fr8 s PRO 135 N -4.60 3.46 0.22 0.00 0.04 -1.26 -4.92 135.00 127.94 1fr8 s PRO 135 Ca 0.67 -0.35 -0.18 0.00 0.04 0.00 0.00 61.00 61.19 1fr8 s PRO 135 Cb -0.23 -3.05 0.21 0.00 0.04 0.00 0.00 34.50 31.47 1fr8 s PRO 135 CO 0.59 0.63 1.57 0.93 0.04 0.00 0.00 177.00 180.75 1fr8 h GLU 136 N 3.39 -0.06 -6.20 4.56 4.39 -2.02 -3.39 114.58 115.26 1fr8 h GLU 136 Ca -0.47 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.54 1fr8 h GLU 136 Cb 1.17 0.01 -0.31 0.00 -0.10 0.00 0.00 28.75 29.53 1fr8 h GLU 136 CO 0.73 -0.04 -0.89 -2.00 -1.16 0.00 0.00 179.01 175.65 1fr8 s GLU 137 N -5.99 2.39 0.21 2.33 2.12 -1.26 -5.12 118.70 113.38 1fr8 s GLU 137 Ca -0.14 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 53.98 1fr8 s GLU 137 Cb 0.19 -2.11 -0.08 0.00 0.26 0.00 0.00 34.13 32.39 1fr8 s GLU 137 CO 0.71 0.44 1.14 0.45 -0.54 0.00 0.00 175.26 177.46 1fr8 s SER 138 N -0.31 7.18 0.32 -1.70 0.15 -1.26 -4.95 113.70 113.14 1fr8 s SER 138 Ca 0.01 2.21 0.06 0.00 0.70 0.00 0.00 55.95 58.93 1fr8 s SER 138 Cb -0.12 -2.61 0.56 0.00 -1.71 0.00 0.00 66.02 62.13 1fr8 s SER 138 CO 0.02 -0.26 1.79 -0.65 1.20 0.00 0.00 173.24 175.33 1fr8 h PRO 139 N 4.76 0.32 0.00 5.44 0.11 -1.95 -3.04 132.00 137.64 1fr8 h PRO 139 Ca -0.45 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1fr8 h PRO 139 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1fr8 h PRO 139 CO 0.71 0.55 0.00 1.28 -0.21 0.00 0.00 178.00 180.34 1fr8 n LEU 140 N -4.15 0.00 -4.65 2.35 4.77 -1.26 -4.84 117.00 109.22 1fr8 n LEU 140 Ca -0.01 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 1fr8 n LEU 140 Cb 0.38 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1fr8 n LEU 140 CO 0.40 -0.08 1.64 -0.76 -1.33 0.00 0.00 177.39 177.27 1fr8 s LEU 141 N -2.37 4.28 0.26 2.23 1.02 -1.15 -4.87 118.68 118.07 1fr8 s LEU 141 Ca 0.20 2.55 0.21 0.00 0.02 0.00 0.00 54.13 57.11 1fr8 s LEU 141 Cb 0.12 -3.53 0.08 0.00 0.02 0.00 0.00 46.19 42.88 1fr8 s LEU 141 CO 0.25 -1.20 1.22 0.58 0.02 0.00 0.00 176.35 177.21 1fr8 h VAL 142 N 5.88 0.20 0.00 -1.59 2.07 -1.93 -3.51 116.25 117.37 1fr8 h VAL 142 Ca -0.48 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 65.71 1fr8 h VAL 142 Cb 1.24 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1fr8 h VAL 142 CO 0.94 0.11 0.00 0.61 0.02 0.00 0.00 177.57 179.26 1fr8 n GLY 143 N 1.20 0.65 3.62 2.17 0.00 -1.26 -4.83 105.19 106.74 1fr8 n GLY 143 Ca -0.00 -0.87 -0.47 0.00 0.00 0.00 0.00 46.02 44.68 1fr8 n GLY 143 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fr8 n PRO 144 N 11.45 1.53 -4.45 1.61 -0.02 -1.26 -2.74 135.00 141.12 1fr8 n PRO 144 Ca 0.00 0.54 -0.21 0.00 -2.02 0.00 0.00 63.50 61.81 1fr8 n PRO 144 Cb 0.00 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 1fr8 n PRO 144 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1fr8 s MET 145 N -0.52 1.64 -0.29 -0.52 -1.94 -0.57 -4.95 119.30 112.15 1fr8 s MET 145 Ca 0.70 -1.90 -0.10 0.00 -1.71 0.00 0.00 55.69 52.68 1fr8 s MET 145 Cb -0.76 -0.91 -0.03 0.00 2.01 0.00 0.00 34.83 35.14 1fr8 s MET 145 CO 0.52 -0.15 0.15 -1.17 -0.01 0.00 0.00 175.02 174.35 1fr8 s LEU 146 N -3.48 3.92 -0.20 -0.03 2.96 -1.26 -4.86 118.68 115.73 1fr8 s LEU 146 Ca 0.35 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 1fr8 s LEU 146 Cb 0.08 -2.03 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1fr8 s LEU 146 CO 0.15 -0.11 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.30 1fr8 s ILE 147 N 1.67 2.38 0.03 6.68 -1.09 -1.26 -5.10 121.20 124.51 1fr8 s ILE 147 Ca 0.06 -0.97 -0.00 0.00 -2.23 0.00 0.00 60.65 57.51 1fr8 s ILE 147 Cb -0.16 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.60 1fr8 s ILE 147 CO 0.07 0.41 -0.03 -1.61 -1.23 0.00 0.00 174.94 172.55 1fr8 s GLU 148 N 1.30 0.41 -0.13 2.79 2.02 -1.26 -5.07 118.70 118.76 1fr8 s GLU 148 Ca 0.03 -0.80 0.15 0.00 0.02 0.00 0.00 54.97 54.37 1fr8 s GLU 148 Cb -0.14 0.11 0.36 0.00 0.10 0.00 0.00 34.13 34.55 1fr8 s GLU 148 CO -0.09 -0.06 1.18 1.19 0.02 0.00 0.00 175.26 177.49 1fr8 n PHE 149 N 1.16 0.00 0.51 1.61 3.01 -1.26 -4.70 117.46 117.80 1fr8 n PHE 149 Ca -0.21 -1.07 0.12 0.00 1.01 0.00 0.00 57.45 57.30 1fr8 n PHE 149 Cb 0.57 -0.19 0.12 0.00 -0.01 0.00 0.00 39.48 39.96 1fr8 n PHE 149 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1fr8 h ASN 150 N 0.71 0.00 -3.54 4.37 -0.00 -1.97 -3.43 115.58 111.71 1fr8 h ASN 150 Ca -0.05 -0.22 -0.77 0.00 -0.00 0.00 0.00 56.30 55.26 1fr8 h ASN 150 Cb 1.21 0.00 -0.25 0.00 -0.00 0.00 0.00 38.32 39.28 1fr8 h ASN 150 CO 0.02 0.11 0.05 0.27 -0.00 0.00 0.00 177.43 177.88 1fr8 s ILE 151 N -3.20 5.45 0.66 6.14 -5.25 -1.26 -5.06 121.20 118.68 1fr8 s ILE 151 Ca 0.05 -2.13 -0.17 0.00 -0.99 0.00 0.00 60.65 57.41 1fr8 s ILE 151 Cb 0.13 -4.45 -0.06 0.00 2.95 0.00 0.00 42.46 41.03 1fr8 s ILE 151 CO 0.75 -1.01 0.49 -2.65 -1.79 0.00 0.00 174.94 170.73 1fr8 n PRO 152 N 4.49 0.38 -4.34 0.37 -0.02 -1.26 -4.99 135.00 129.63 1fr8 n PRO 152 Ca 0.06 0.16 -0.18 0.00 -2.02 0.00 0.00 63.50 61.52 1fr8 n PRO 152 Cb 0.45 -1.75 -0.10 0.00 -0.02 0.00 0.00 33.50 32.08 1fr8 n PRO 152 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1fr8 s VAL 153 N -1.83 1.72 -0.08 -1.45 -7.23 -1.26 -5.14 120.40 105.13 1fr8 s VAL 153 Ca 0.66 -2.18 0.05 0.00 -1.81 0.00 0.00 61.98 58.70 1fr8 s VAL 153 Cb -0.39 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1fr8 s VAL 153 CO 0.57 -0.58 -0.24 -0.62 -0.31 0.00 0.00 175.10 173.92 1fr8 s ASP 154 N -3.26 3.16 0.35 4.85 -1.08 -1.26 -5.01 116.67 114.42 1fr8 s ASP 154 Ca 0.22 -0.52 0.07 0.00 -0.52 0.00 0.00 52.55 51.80 1fr8 s ASP 154 Cb -0.01 -1.15 0.67 0.00 -1.46 0.00 0.00 42.92 40.97 1fr8 s ASP 154 CO 0.07 0.20 1.86 -0.07 0.52 0.00 0.00 175.17 177.75 1fr8 h LEU 155 N 6.38 0.32 -1.42 -1.34 3.38 -1.99 -1.18 115.31 119.47 1fr8 h LEU 155 Ca -0.26 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 57.73 1fr8 h LEU 155 Cb 1.21 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1fr8 h LEU 155 CO 0.48 0.49 0.49 0.11 0.09 0.00 0.00 178.44 180.09 1fr8 h LYS 156 N 0.32 0.64 -0.35 1.13 1.79 -1.99 0.28 116.57 118.40 1fr8 h LYS 156 Ca 0.06 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.42 1fr8 h LYS 156 Cb 0.43 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1fr8 h LYS 156 CO 0.03 0.43 -0.08 1.25 -1.08 0.00 0.00 179.45 179.99 1fr8 h LEU 157 N 0.66 0.67 -0.92 2.94 5.85 -1.65 -1.26 115.31 121.61 1fr8 h LEU 157 Ca 0.34 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1fr8 h LEU 157 Cb 0.44 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1fr8 h LEU 157 CO -0.12 0.88 0.03 0.58 -0.34 0.00 0.00 178.44 179.47 1fr8 h VAL 158 N 0.46 1.24 0.93 1.05 2.07 -0.65 0.35 116.25 121.71 1fr8 h VAL 158 Ca 0.09 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 1fr8 h VAL 158 Cb 0.58 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1fr8 h VAL 158 CO 0.03 0.35 -0.48 -0.33 0.02 0.00 0.00 177.57 177.16 1fr8 h GLU 159 N 0.77 -1.25 -0.75 1.57 5.08 -0.43 -0.53 114.58 119.04 1fr8 h GLU 159 Ca 0.15 0.09 0.16 0.00 -1.00 0.00 0.00 59.36 58.76 1fr8 h GLU 159 Cb 0.43 0.28 -0.14 0.00 0.50 0.00 0.00 28.75 29.82 1fr8 h GLU 159 CO 0.02 -0.83 -0.11 0.37 -1.00 0.00 0.00 179.01 177.45 1fr8 h GLN 160 N -1.30 0.03 0.00 2.33 5.75 -0.66 -0.09 115.11 121.17 1fr8 h GLN 160 Ca -0.13 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 1fr8 h GLN 160 Cb 1.01 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1fr8 h GLN 160 CO 0.19 0.02 0.00 1.04 -2.65 0.00 0.00 178.83 177.43 1fr8 n GLN 161 N -5.44 0.08 -3.30 1.69 6.02 0.12 -3.91 117.38 112.64 1fr8 n GLN 161 Ca 0.12 0.18 -0.26 0.00 -0.01 0.00 0.00 57.00 57.03 1fr8 n GLN 161 Cb 0.42 -1.61 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 1fr8 n GLN 161 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1fr8 n ASN 162 N -1.75 2.49 -0.29 1.08 3.02 -0.05 -4.96 115.26 114.79 1fr8 n ASN 162 Ca 0.05 -3.19 -0.04 0.00 -0.03 0.00 0.00 54.58 51.37 1fr8 n ASN 162 Cb 0.29 -0.65 0.07 0.00 -0.61 0.00 0.00 39.78 38.89 1fr8 n ASN 162 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fr8 h PRO 163 N 3.97 1.03 0.00 3.52 0.13 -1.66 -3.00 132.00 135.98 1fr8 h PRO 163 Ca 0.15 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1fr8 h PRO 163 Cb 0.74 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1fr8 h PRO 163 CO 0.70 0.68 0.00 1.63 -0.23 0.00 0.00 178.00 180.78 1fr8 n LYS 164 N -4.54 0.08 -2.59 0.86 5.02 -1.26 -4.64 118.16 111.08 1fr8 n LYS 164 Ca 0.08 0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 56.20 1fr8 n LYS 164 Cb 0.02 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 1fr8 n LYS 164 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fr8 s VAL 165 N -2.73 3.97 1.12 -0.18 1.01 -1.14 -4.75 120.40 117.70 1fr8 s VAL 165 Ca 0.07 0.74 -0.15 0.00 0.00 0.00 0.00 61.98 62.64 1fr8 s VAL 165 Cb 0.06 -4.76 0.25 0.00 0.00 0.00 0.00 36.38 31.93 1fr8 s VAL 165 CO 0.15 -1.45 1.07 -0.54 0.00 0.00 0.00 175.10 174.33 1fr8 s LYS 166 N 5.07 -0.53 0.83 2.72 1.02 0.43 -4.84 119.74 124.44 1fr8 s LYS 166 Ca 0.40 0.41 -0.16 0.00 0.02 0.00 0.00 55.97 56.64 1fr8 s LYS 166 Cb -0.08 -1.63 -0.08 0.00 -0.52 0.00 0.00 37.83 35.52 1fr8 s LYS 166 CO 0.22 -3.35 -0.06 -0.11 -0.92 0.00 0.00 175.35 171.13 1fr8 n LEU 167 N -4.59 -2.47 0.00 3.17 0.00 -1.26 -2.49 117.00 109.36 1fr8 n LEU 167 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 56.01 56.48 1fr8 n LEU 167 Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 43.42 42.99 1fr8 n LEU 167 CO 0.54 -4.50 0.00 0.61 0.00 0.00 0.00 177.39 174.04 1fr8 n GLY 168 N 2.38 0.04 1.25 -3.96 0.00 0.17 -2.79 105.19 102.29 1fr8 n GLY 168 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1fr8 n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr8 n GLY 169 N -0.46 0.96 3.88 -0.02 0.00 -1.00 -1.41 105.19 107.14 1fr8 n GLY 169 Ca 0.00 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 1fr8 n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fr8 s ARG 170 N -2.93 3.44 -0.15 1.61 1.81 -1.12 -2.01 118.95 119.60 1fr8 s ARG 170 Ca 0.00 -0.14 -0.08 0.00 -1.72 0.00 0.00 55.73 53.79 1fr8 s ARG 170 Cb 0.00 -3.18 0.05 0.00 -0.45 0.00 0.00 34.95 31.37 1fr8 s ARG 170 CO 0.00 0.78 0.36 -0.47 -0.68 0.00 0.00 175.30 175.28 1fr8 s TYR 171 N -1.04 -0.51 -0.06 -0.53 5.04 -0.62 -0.43 117.35 119.20 1fr8 s TYR 171 Ca 0.16 1.12 0.03 0.00 -2.44 0.00 0.00 57.07 55.94 1fr8 s TYR 171 Cb -0.12 0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.39 1fr8 s TYR 171 CO 0.05 -0.30 -0.15 0.99 -1.34 0.00 0.00 175.55 174.79 1fr8 s THR 172 N 1.29 1.34 0.20 4.34 2.01 -1.26 -1.40 115.64 122.16 1fr8 s THR 172 Ca -0.09 -0.63 -0.32 0.00 0.31 0.00 0.00 61.69 60.96 1fr8 s THR 172 Cb -0.09 -1.18 -0.14 0.00 0.01 0.00 0.00 72.50 71.10 1fr8 s THR 172 CO -0.11 0.39 1.39 -2.65 -0.69 0.00 0.00 174.62 172.95 1fr8 n PRO 173 N 3.50 1.82 0.00 4.92 -0.02 -1.26 -4.88 135.00 139.07 1fr8 n PRO 173 Ca -0.20 0.65 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 1fr8 n PRO 173 Cb 0.52 -2.30 0.30 0.00 -0.02 0.00 0.00 33.50 32.01 1fr8 n PRO 173 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1fr8 n MET 174 N 2.28 0.30 -0.00 -0.52 0.00 -1.26 -4.61 117.12 113.30 1fr8 n MET 174 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 57.70 57.65 1fr8 n MET 174 Cb 0.29 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 32.00 1fr8 n MET 174 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1fr8 n ASP 175 N -1.20 0.70 -4.92 7.83 9.92 -1.26 -5.07 116.55 122.55 1fr8 n ASP 175 Ca 0.08 0.10 -0.27 0.00 -0.53 0.00 0.00 54.79 54.18 1fr8 n ASP 175 Cb 0.34 -0.34 0.05 0.00 -0.64 0.00 0.00 41.12 40.53 1fr8 n ASP 175 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fr8 s ILE 177 N -3.17 3.89 0.04 0.00 -1.09 -1.26 -4.68 121.20 114.93 1fr8 s ILE 177 Ca 0.58 -1.05 -0.27 0.00 -2.23 0.00 0.00 60.65 57.68 1fr8 s ILE 177 Cb -0.11 -3.18 -0.05 0.00 -1.58 0.00 0.00 42.46 37.55 1fr8 s ILE 177 CO 0.46 -0.16 0.83 -0.55 -1.23 0.00 0.00 174.94 174.29 1fr8 s SER 178 N 1.43 7.27 0.09 3.58 0.15 -1.26 -0.97 113.70 123.99 1fr8 s SER 178 Ca -0.01 1.52 0.27 0.00 0.70 0.00 0.00 55.95 58.44 1fr8 s SER 178 Cb -0.19 -2.50 0.95 0.00 -1.71 0.00 0.00 66.02 62.56 1fr8 s SER 178 CO 0.03 -0.05 1.78 -0.81 1.20 0.00 0.00 173.24 175.39 1fr8 n PRO 179 N 3.05 0.12 -3.17 5.44 -0.04 -1.26 -4.68 135.00 134.46 1fr8 n PRO 179 Ca -0.00 0.08 -0.45 0.00 -0.04 0.00 0.00 63.50 63.09 1fr8 n PRO 179 Cb 0.50 -1.62 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1fr8 n PRO 179 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1fr8 s HIS 180 N -3.05 3.18 -0.73 0.54 3.76 -1.26 -4.98 115.29 112.75 1fr8 s HIS 180 Ca 0.12 -1.23 -0.16 0.00 -0.15 0.00 0.00 55.06 53.65 1fr8 s HIS 180 Cb 0.16 -3.97 0.17 0.00 1.11 0.00 0.00 32.58 30.05 1fr8 s HIS 180 CO 0.58 -1.21 0.72 0.15 -0.85 0.00 0.00 174.74 174.13 1fr8 s LYS 181 N 2.08 3.36 -0.22 1.40 1.02 -1.26 -1.97 119.74 124.15 1fr8 s LYS 181 Ca 0.13 -2.04 -0.09 0.00 0.02 0.00 0.00 55.97 53.98 1fr8 s LYS 181 Cb -0.21 -4.42 -0.05 0.00 -0.52 0.00 0.00 37.83 32.63 1fr8 s LYS 181 CO 0.02 -1.38 0.12 0.08 -0.92 0.00 0.00 175.35 173.27 1fr8 s VAL 182 N 1.12 5.11 -0.20 3.17 1.01 -0.37 -0.92 120.40 129.31 1fr8 s VAL 182 Ca 0.14 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 1fr8 s VAL 182 Cb -0.17 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1fr8 s VAL 182 CO -0.04 0.38 0.06 0.00 0.00 0.00 0.00 175.10 175.50 1fr8 s ALA 183 N 0.90 3.27 -0.25 5.51 0.00 -0.10 -1.99 121.76 129.10 1fr8 s ALA 183 Ca 0.06 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 1fr8 s ALA 183 Cb -0.13 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 1fr8 s ALA 183 CO 0.03 -0.07 0.23 0.42 0.00 0.00 0.00 175.76 176.37 1fr8 s ILE 184 N 0.84 5.30 -0.12 0.00 1.09 -0.58 -1.14 121.20 126.59 1fr8 s ILE 184 Ca 0.03 0.31 -0.01 0.00 -1.10 0.00 0.00 60.65 59.88 1fr8 s ILE 184 Cb -0.14 -3.57 -0.02 0.00 -1.06 0.00 0.00 42.46 37.68 1fr8 s ILE 184 CO 0.02 0.29 -0.10 -0.63 -0.10 0.00 0.00 174.94 174.42 1fr8 s ILE 185 N 1.38 3.34 -0.13 2.92 -1.09 0.94 -0.62 121.20 127.95 1fr8 s ILE 185 Ca 0.10 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1fr8 s ILE 185 Cb -0.15 -2.41 0.02 0.00 -1.58 0.00 0.00 42.46 38.35 1fr8 s ILE 185 CO 0.07 0.53 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.57 1fr8 s ILE 186 N 0.13 1.35 0.13 2.92 1.01 0.32 -1.49 121.20 125.57 1fr8 s ILE 186 Ca -0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 1fr8 s ILE 186 Cb -0.14 -1.30 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 1fr8 s ILE 186 CO 0.04 0.42 1.22 -2.16 0.00 0.00 0.00 174.94 174.46 1fr8 s PRO 187 N 1.57 4.45 -0.01 2.79 0.04 -1.26 -0.49 135.00 142.10 1fr8 s PRO 187 Ca 0.05 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 1fr8 s PRO 187 Cb -0.13 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 1fr8 s PRO 187 CO -0.10 -0.19 0.07 0.12 0.04 0.00 0.00 177.00 176.94 1fr8 s PHE 188 N 0.51 0.04 -0.30 0.56 5.36 0.79 -4.53 117.98 120.41 1fr8 s PHE 188 Ca 0.57 -0.08 -0.14 0.00 -0.96 0.00 0.00 56.93 56.31 1fr8 s PHE 188 Cb -0.32 -0.05 0.18 0.00 -0.34 0.00 0.00 43.02 42.49 1fr8 s PHE 188 CO 0.33 -0.16 1.09 0.50 -1.46 0.00 0.00 175.22 175.52 1fr8 s ARG 189 N -0.80 0.15 -1.11 10.12 3.52 -1.26 -1.60 118.95 127.97 1fr8 s ARG 189 Ca -0.09 0.27 -0.15 0.00 -0.13 0.00 0.00 55.73 55.63 1fr8 s ARG 189 Cb -0.05 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 1fr8 s ARG 189 CO 0.00 -0.17 0.84 -1.71 -0.81 0.00 0.00 175.30 173.46 1fr8 n ASN 190 N 5.48 -5.77 -2.48 -2.12 4.05 -1.26 -4.93 115.26 108.23 1fr8 n ASN 190 Ca -0.07 -0.90 -0.00 0.00 0.45 0.00 0.00 54.58 54.05 1fr8 n ASN 190 Cb 0.54 -4.06 0.06 0.00 1.23 0.00 0.00 39.78 37.55 1fr8 n ASN 190 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1fr8 n ARG 191 N -3.84 1.27 -0.13 1.20 5.12 -1.26 -4.94 116.66 114.07 1fr8 n ARG 191 Ca -0.09 -2.60 0.12 0.00 -1.93 0.00 0.00 57.85 53.36 1fr8 n ARG 191 Cb 0.60 -0.76 0.47 0.00 -1.16 0.00 0.00 32.46 31.60 1fr8 n ARG 191 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1fr8 h GLN 192 N 1.83 0.48 0.10 5.56 5.75 -2.00 -1.91 115.11 124.93 1fr8 h GLN 192 Ca -0.25 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1fr8 h GLN 192 Cb 1.38 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.83 1fr8 h GLN 192 CO 0.05 0.32 -0.05 0.93 -2.65 0.00 0.00 178.83 177.43 1fr8 h GLU 193 N 0.50 -0.13 -0.95 1.69 4.39 -2.00 -2.41 114.58 115.66 1fr8 h GLU 193 Ca 0.32 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.11 1fr8 h GLU 193 Cb 0.58 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.19 1fr8 h GLU 193 CO -0.10 0.15 0.61 0.45 -1.16 0.00 0.00 179.01 178.96 1fr8 h HIS 194 N -0.42 1.09 -0.32 4.33 3.86 -1.79 -1.59 115.15 120.31 1fr8 h HIS 194 Ca -0.01 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1fr8 h HIS 194 Cb 0.35 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 1fr8 h HIS 194 CO 0.02 0.53 0.08 1.25 0.86 0.00 0.00 177.93 180.66 1fr8 h LEU 195 N 1.03 0.05 -0.61 2.43 6.46 -1.22 0.18 115.31 123.62 1fr8 h LEU 195 Ca 0.43 0.05 0.10 0.00 -0.12 0.00 0.00 57.88 58.33 1fr8 h LEU 195 Cb 0.29 0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 40.20 1fr8 h LEU 195 CO -0.18 0.06 0.20 0.11 -0.62 0.00 0.00 178.44 178.01 1fr8 h LYS 196 N 0.20 0.35 -0.15 1.25 1.57 -0.78 0.27 116.57 119.29 1fr8 h LYS 196 Ca 0.15 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 1fr8 h LYS 196 Cb 0.15 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1fr8 h LYS 196 CO -0.18 0.23 -0.62 1.88 -0.57 0.00 0.00 179.45 180.20 1fr8 h TYR 197 N 0.36 0.65 0.37 -1.35 -1.99 -1.10 -2.47 116.97 111.44 1fr8 h TYR 197 Ca 0.31 -0.25 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 1fr8 h TYR 197 Cb 0.41 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1fr8 h TYR 197 CO -0.19 0.99 -0.18 2.35 -0.00 0.00 0.00 178.16 181.14 1fr8 h TRP 198 N 0.37 -0.46 -0.54 4.88 7.01 0.78 -2.69 115.95 125.31 1fr8 h TRP 198 Ca -0.01 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.04 1fr8 h TRP 198 Cb 1.17 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 28.33 1fr8 h TRP 198 CO 0.05 -0.28 0.25 -0.07 -2.79 0.00 0.00 178.44 175.60 1fr8 h LEU 199 N -0.50 0.34 -1.34 0.65 3.38 -0.56 -0.01 115.31 117.28 1fr8 h LEU 199 Ca -0.05 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.08 1fr8 h LEU 199 Cb 0.38 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1fr8 h LEU 199 CO 0.08 0.23 0.54 0.22 0.09 0.00 0.00 178.44 179.61 1fr8 h TYR 200 N 0.49 0.78 0.03 1.13 3.20 -1.31 -2.27 116.97 119.02 1fr8 h TYR 200 Ca 0.24 0.02 -0.35 0.00 3.14 0.00 0.00 58.73 61.79 1fr8 h TYR 200 Cb 0.19 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 1fr8 h TYR 200 CO -0.12 0.32 -1.93 0.66 -1.64 0.00 0.00 178.16 175.46 1fr8 n TYR 201 N -4.53 0.65 0.01 -3.82 4.02 -1.01 -4.63 117.16 107.85 1fr8 n TYR 201 Ca 0.15 0.23 -0.13 0.00 -0.01 0.00 0.00 57.90 58.14 1fr8 n TYR 201 Cb 0.41 -1.07 -0.09 0.00 -0.02 0.00 0.00 39.34 38.57 1fr8 n TYR 201 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1fr8 h LEU 202 N -0.65 0.00 -0.72 7.72 -0.00 -1.02 -3.07 115.31 117.57 1fr8 h LEU 202 Ca -0.50 -0.27 0.11 0.00 -0.00 0.00 0.00 57.88 57.22 1fr8 h LEU 202 Cb 1.62 -0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 42.16 1fr8 h LEU 202 CO -0.20 0.28 -0.42 0.45 -0.00 0.00 0.00 178.44 178.55 1fr8 h HIS 203 N -0.27 -1.22 0.00 1.13 3.86 -1.60 0.40 115.15 117.45 1fr8 h HIS 203 Ca 0.00 0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1fr8 h HIS 203 Cb 0.27 0.64 -0.00 0.00 1.06 0.00 0.00 27.41 29.38 1fr8 h HIS 203 CO 0.02 -0.41 -0.15 -1.00 0.86 0.00 0.00 177.93 177.25 1fr8 h PRO 204 N -0.14 0.00 -0.21 2.45 0.13 -1.80 -2.78 132.00 129.65 1fr8 h PRO 204 Ca 0.23 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.16 1fr8 h PRO 204 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1fr8 h PRO 204 CO -0.78 0.15 -0.65 0.82 -0.23 0.00 0.00 178.00 177.30 1fr8 h ILE 205 N 0.00 1.29 -0.02 -3.56 2.04 -0.20 -2.51 117.51 114.54 1fr8 h ILE 205 Ca -0.00 -1.87 -0.00 0.00 1.00 0.00 0.00 64.86 63.99 1fr8 h ILE 205 Cb 0.28 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1fr8 h ILE 205 CO 0.02 0.60 0.01 -0.07 0.00 0.00 0.00 178.15 178.71 1fr8 h LEU 206 N 0.56 0.03 -1.55 1.44 3.38 -0.75 -1.45 115.31 116.96 1fr8 h LEU 206 Ca -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1fr8 h LEU 206 Cb 1.26 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1fr8 h LEU 206 CO 0.14 0.11 0.19 1.56 0.09 0.00 0.00 178.44 180.52 1fr8 h GLN 207 N -0.05 0.49 0.00 1.13 4.20 -1.54 0.76 115.11 120.10 1fr8 h GLN 207 Ca 0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1fr8 h GLN 207 Cb 0.09 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1fr8 h GLN 207 CO -0.00 0.37 -0.11 0.00 -0.67 0.00 0.00 178.83 178.42 1fr8 h ARG 208 N 0.50 0.00 -0.01 1.46 3.08 -0.97 -2.07 114.38 116.37 1fr8 h ARG 208 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1fr8 h ARG 208 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1fr8 h ARG 208 CO -0.02 0.11 -0.37 1.04 -1.07 0.00 0.00 179.97 179.66 1fr8 n GLN 209 N -3.29 0.55 -3.01 0.04 6.02 0.20 -4.33 117.38 113.56 1fr8 n GLN 209 Ca -0.00 -0.33 -0.13 0.00 -0.01 0.00 0.00 57.00 56.53 1fr8 n GLN 209 Cb 0.35 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 30.17 1fr8 n GLN 209 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1fr8 n GLN 210 N -0.94 -2.17 -4.59 -1.09 6.02 -0.78 -4.77 117.38 109.07 1fr8 n GLN 210 Ca 0.10 0.74 -0.34 0.00 -0.01 0.00 0.00 57.00 57.49 1fr8 n GLN 210 Cb 0.35 -5.21 -0.11 0.00 1.02 0.00 0.00 30.24 26.29 1fr8 n GLN 210 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1fr8 s LEU 211 N -5.08 3.19 -0.86 1.08 1.43 -1.20 -4.77 118.68 112.47 1fr8 s LEU 211 Ca 0.37 -0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 53.24 1fr8 s LEU 211 Cb -0.05 -1.70 0.13 0.00 0.03 0.00 0.00 46.19 44.59 1fr8 s LEU 211 CO 0.63 0.33 1.05 -0.62 0.23 0.00 0.00 176.35 177.98 1fr8 s ASP 212 N -0.64 6.54 0.44 2.29 2.15 -0.83 -4.46 116.67 122.15 1fr8 s ASP 212 Ca 0.10 -1.88 0.03 0.00 0.43 0.00 0.00 52.55 51.22 1fr8 s ASP 212 Cb -0.12 -2.38 -0.03 0.00 -0.30 0.00 0.00 42.92 40.09 1fr8 s ASP 212 CO 0.02 -1.09 0.06 -0.72 -0.17 0.00 0.00 175.17 173.26 1fr8 s TYR 213 N 2.74 1.93 -0.05 -5.34 -0.85 -0.49 -1.23 117.35 114.05 1fr8 s TYR 213 Ca 0.29 -1.04 -0.18 0.00 -0.52 0.00 0.00 57.07 55.62 1fr8 s TYR 213 Cb -0.08 -1.43 0.04 0.00 0.38 0.00 0.00 41.96 40.86 1fr8 s TYR 213 CO -0.05 0.04 0.40 0.20 -1.52 0.00 0.00 175.55 174.62 1fr8 s GLY 214 N -3.71 -0.27 -0.18 5.49 0.00 -0.84 -1.59 107.32 106.23 1fr8 s GLY 214 Ca 0.19 0.68 -0.06 0.00 0.00 0.00 0.00 44.72 45.54 1fr8 s GLY 214 CO 0.10 0.45 0.02 -0.42 0.00 0.00 0.00 173.10 173.26 1fr8 s ILE 215 N -1.00 4.37 -0.10 0.90 -1.09 -0.85 -1.53 121.20 121.90 1fr8 s ILE 215 Ca -0.10 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1fr8 s ILE 215 Cb -0.04 -2.96 0.02 0.00 -1.58 0.00 0.00 42.46 37.91 1fr8 s ILE 215 CO 0.05 0.46 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.83 1fr8 s TYR 216 N 0.47 1.45 -0.31 3.97 1.51 0.21 -0.45 117.35 124.21 1fr8 s TYR 216 Ca 0.00 -0.68 -0.07 0.00 -1.01 0.00 0.00 57.07 55.31 1fr8 s TYR 216 Cb -0.13 -1.18 0.01 0.00 -0.11 0.00 0.00 41.96 40.55 1fr8 s TYR 216 CO 0.02 -0.45 0.10 0.08 -1.11 0.00 0.00 175.55 174.18 1fr8 s VAL 217 N 1.45 4.04 -0.36 0.71 1.01 0.13 -0.52 120.40 126.86 1fr8 s VAL 217 Ca 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 1fr8 s VAL 217 Cb -0.13 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 1fr8 s VAL 217 CO -0.05 0.03 0.36 -0.63 0.00 0.00 0.00 175.10 174.81 1fr8 s ILE 218 N 1.50 5.17 -0.41 2.22 -1.09 0.36 -1.55 121.20 127.41 1fr8 s ILE 218 Ca 0.02 -0.12 -0.15 0.00 -2.23 0.00 0.00 60.65 58.17 1fr8 s ILE 218 Cb -0.17 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1fr8 s ILE 218 CO 0.03 -0.17 0.31 0.21 -1.23 0.00 0.00 174.94 174.09 1fr8 s ASN 219 N 1.74 6.12 -0.28 3.58 2.47 0.15 -0.15 114.94 128.56 1fr8 s ASN 219 Ca 0.11 -0.84 -0.28 0.00 0.42 0.00 0.00 52.86 52.26 1fr8 s ASN 219 Cb -0.17 -2.16 -0.03 0.00 -1.45 0.00 0.00 41.25 37.44 1fr8 s ASN 219 CO 0.12 -0.45 1.88 -1.58 -3.72 0.00 0.00 177.10 173.35 1fr8 s GLN 220 N 1.73 3.35 0.36 0.43 0.74 -0.63 -1.09 119.66 124.55 1fr8 s GLN 220 Ca 0.06 1.62 0.19 0.00 0.05 0.00 0.00 55.36 57.28 1fr8 s GLN 220 Cb -0.19 -4.22 0.49 0.00 1.10 0.00 0.00 33.01 30.19 1fr8 s GLN 220 CO 0.10 -1.84 1.64 0.00 -0.55 0.00 0.00 175.29 174.65 1fr8 h ALA 221 N 13.11 0.87 -3.00 1.58 0.00 -1.65 -3.47 119.26 126.71 1fr8 h ALA 221 Ca -0.36 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1fr8 h ALA 221 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1fr8 h ALA 221 CO 1.01 0.46 0.00 0.41 0.00 0.00 0.00 179.25 181.13 1fr8 n GLY 222 N 0.64 -2.85 0.74 0.00 0.00 -1.26 -4.98 105.19 97.47 1fr8 n GLY 222 Ca 0.01 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1fr8 n GLY 222 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1fr8 n GLU 223 N 0.00 0.00 -2.93 1.61 2.13 -1.26 -5.09 120.64 115.10 1fr8 n GLU 223 Ca 0.00 -0.93 -0.19 0.00 0.66 0.00 0.00 57.16 56.70 1fr8 n GLU 223 Cb 0.00 -0.17 0.03 0.00 0.27 0.00 0.00 31.44 31.57 1fr8 n GLU 223 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1fr8 s SER 224 N -0.93 5.38 0.17 4.31 0.01 -1.26 -5.02 113.70 116.35 1fr8 s SER 224 Ca 0.06 -0.46 -0.33 0.00 1.31 0.00 0.00 55.95 56.54 1fr8 s SER 224 Cb 0.07 -0.41 -0.16 0.00 0.21 0.00 0.00 66.02 65.73 1fr8 s SER 224 CO -0.03 -1.03 1.09 0.23 0.41 0.00 0.00 173.24 173.90 1fr8 n MET 225 N -2.09 1.00 -1.89 12.44 2.81 -1.26 -4.85 117.12 123.28 1fr8 n MET 225 Ca 0.10 0.35 -0.42 0.00 -1.81 0.00 0.00 57.70 55.93 1fr8 n MET 225 Cb 0.60 -1.80 -0.03 0.00 -0.71 0.00 0.00 33.22 31.28 1fr8 n MET 225 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1fr8 s PHE 226 N -0.31 3.00 -0.66 2.03 5.36 -1.26 -4.76 117.98 121.38 1fr8 s PHE 226 Ca 0.73 0.64 -0.00 0.00 -0.96 0.00 0.00 56.93 57.33 1fr8 s PHE 226 Cb -0.88 -3.97 0.17 0.00 -0.34 0.00 0.00 43.02 38.00 1fr8 s PHE 226 CO 0.53 -3.50 0.47 1.21 -1.46 0.00 0.00 175.22 172.47 1fr8 s ASN 227 N 0.99 5.11 0.05 6.13 3.84 -1.26 -2.99 114.94 126.82 1fr8 s ASN 227 Ca 0.69 -3.17 -0.24 0.00 0.21 0.00 0.00 52.86 50.35 1fr8 s ASN 227 Cb -0.45 -1.79 -0.12 0.00 -0.55 0.00 0.00 41.25 38.34 1fr8 s ASN 227 CO 0.34 -0.27 1.36 -0.09 -2.79 0.00 0.00 177.10 175.66 1fr8 h ARG 228 N 6.52 -0.69 -0.90 0.43 2.43 -1.93 -2.39 114.38 117.86 1fr8 h ARG 228 Ca 0.02 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.37 1fr8 h ARG 228 Cb 0.89 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 30.51 1fr8 h ARG 228 CO 0.73 -0.46 0.51 0.00 -1.51 0.00 0.00 179.97 179.25 1fr8 h ALA 229 N -1.30 1.34 -0.40 2.80 0.00 -1.88 -0.85 119.26 118.98 1fr8 h ALA 229 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fr8 h ALA 229 Cb 0.60 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1fr8 h ALA 229 CO 0.00 0.05 0.25 -0.22 0.00 0.00 0.00 179.25 179.34 1fr8 h LYS 230 N 0.78 0.54 -0.24 0.00 3.64 -1.63 -0.78 116.57 118.88 1fr8 h LYS 230 Ca 0.46 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.81 1fr8 h LYS 230 Cb 0.55 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1fr8 h LYS 230 CO -0.30 0.38 0.16 -0.07 -2.27 0.00 0.00 179.45 177.34 1fr8 h LEU 231 N 0.53 0.26 -0.44 5.20 3.38 -0.66 0.14 115.31 123.73 1fr8 h LEU 231 Ca 0.15 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1fr8 h LEU 231 Cb -0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1fr8 h LEU 231 CO -0.03 0.19 -0.03 -0.07 0.09 0.00 0.00 178.44 178.59 1fr8 h LEU 232 N 0.31 0.79 -0.23 1.67 3.38 -0.13 -1.59 115.31 119.51 1fr8 h LEU 232 Ca 0.09 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1fr8 h LEU 232 Cb -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1fr8 h LEU 232 CO -0.02 0.93 0.09 0.78 0.09 0.00 0.00 178.44 180.31 1fr8 h ASN 233 N 0.63 0.13 -0.95 -0.43 2.35 0.29 -1.04 115.58 116.56 1fr8 h ASN 233 Ca 0.12 0.02 0.12 0.00 -0.55 0.00 0.00 56.30 56.01 1fr8 h ASN 233 Cb 0.54 -0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.83 1fr8 h ASN 233 CO 0.03 0.10 0.61 0.58 -1.65 0.00 0.00 177.43 177.10 1fr8 h VAL 234 N 0.21 0.90 0.21 2.81 2.07 -0.81 -1.74 116.25 119.91 1fr8 h VAL 234 Ca 0.10 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1fr8 h VAL 234 Cb 0.05 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1fr8 h VAL 234 CO -0.08 0.16 -0.10 1.23 0.02 0.00 0.00 177.57 178.80 1fr8 h GLY 235 N 0.89 -0.29 0.02 2.17 0.00 -0.23 0.16 103.07 105.79 1fr8 h GLY 235 Ca 0.47 0.11 0.10 0.00 0.00 0.00 0.00 47.33 48.00 1fr8 h GLY 235 CO -0.23 -0.11 -0.13 -2.75 0.00 0.00 0.00 176.54 173.32 1fr8 h PHE 236 N -0.32 -0.28 -0.50 5.60 3.57 -0.41 0.12 116.94 124.73 1fr8 h PHE 236 Ca -0.03 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1fr8 h PHE 236 Cb 0.24 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1fr8 h PHE 236 CO -0.05 -0.22 -0.05 0.87 -2.23 0.00 0.00 178.31 176.63 1fr8 h LYS 237 N -0.01 0.91 -0.14 1.11 1.57 -1.09 -2.98 116.57 115.94 1fr8 h LYS 237 Ca 0.23 -0.32 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 1fr8 h LYS 237 Cb 0.37 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1fr8 h LYS 237 CO -0.50 0.96 -0.65 0.93 -0.57 0.00 0.00 179.45 179.62 1fr8 h GLU 238 N 0.77 0.53 -0.47 3.15 4.39 -0.14 -3.17 114.58 119.64 1fr8 h GLU 238 Ca 0.13 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.37 1fr8 h GLU 238 Cb 0.59 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1fr8 h GLU 238 CO 0.04 1.01 -0.01 0.00 -1.16 0.00 0.00 179.01 178.89 1fr8 h ALA 239 N 0.90 1.11 0.00 3.43 0.00 -0.79 -2.32 119.26 121.59 1fr8 h ALA 239 Ca -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1fr8 h ALA 239 Cb 1.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1fr8 h ALA 239 CO 0.12 0.56 -0.06 -0.07 0.00 0.00 0.00 179.25 179.80 1fr8 h LEU 240 N 0.72 0.00 0.00 0.00 3.38 -1.49 0.36 115.31 118.28 1fr8 h LEU 240 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1fr8 h LEU 240 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1fr8 h LEU 240 CO 0.02 0.06 0.00 0.29 0.09 0.00 0.00 178.44 178.90 1fr8 n LYS 241 N -3.38 0.02 -0.06 1.13 5.02 -0.87 -3.40 118.16 116.61 1fr8 n LYS 241 Ca -0.02 0.24 -0.07 0.00 -2.02 0.00 0.00 58.31 56.44 1fr8 n LYS 241 Cb 0.21 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.64 1fr8 n LYS 241 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1fr8 n ASP 242 N -1.48 2.47 -3.54 4.39 8.00 0.09 -5.07 116.55 121.41 1fr8 n ASP 242 Ca 0.04 -0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.37 1fr8 n ASP 242 Cb 0.17 0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.59 1fr8 n ASP 242 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1fr8 s TYR 243 N -2.28 -0.46 -1.42 1.24 5.04 -1.07 -5.03 117.35 113.37 1fr8 s TYR 243 Ca -0.11 0.50 -0.10 0.00 -2.44 0.00 0.00 57.07 54.91 1fr8 s TYR 243 Cb 0.04 0.38 -0.06 0.00 0.35 0.00 0.00 41.96 42.67 1fr8 s TYR 243 CO 0.41 -0.68 2.62 -0.40 -1.34 0.00 0.00 175.55 176.17 1fr8 n ASP 244 N 0.31 6.89 -4.76 4.32 5.75 -1.26 -4.44 116.55 123.36 1fr8 n ASP 244 Ca -0.18 -2.57 -0.39 0.00 -0.01 0.00 0.00 54.79 51.64 1fr8 n ASP 244 Cb 0.61 -1.46 0.02 0.00 -1.03 0.00 0.00 41.12 39.25 1fr8 n ASP 244 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1fr8 s TYR 245 N 2.73 2.52 0.00 2.11 4.12 -1.26 -4.92 117.35 122.65 1fr8 s TYR 245 Ca 0.60 1.36 0.00 0.00 0.02 0.00 0.00 57.07 59.04 1fr8 s TYR 245 Cb 0.16 -3.77 0.00 0.00 -1.52 0.00 0.00 41.96 36.82 1fr8 s TYR 245 CO -0.05 -2.60 0.71 0.27 0.02 0.00 0.00 175.55 173.90 1fr8 n ASN 246 N -0.44 1.20 -3.78 2.29 0.23 -0.10 -4.88 115.26 109.77 1fr8 n ASN 246 Ca 0.07 -1.50 -0.13 0.00 -0.53 0.00 0.00 54.58 52.49 1fr8 n ASN 246 Cb 0.44 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.02 1fr8 n ASN 246 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1fr8 s PHE 248 N 0.23 1.21 -0.17 0.00 0.08 0.79 -0.93 117.98 119.19 1fr8 s PHE 248 Ca -0.01 -0.46 -0.04 0.00 0.12 0.00 0.00 56.93 56.55 1fr8 s PHE 248 Cb -0.02 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.44 1fr8 s PHE 248 CO -0.00 -0.29 -0.03 0.08 -0.10 0.00 0.00 175.22 174.87 1fr8 s VAL 249 N 0.97 3.86 -0.26 -0.44 1.01 -0.29 -0.51 120.40 124.74 1fr8 s VAL 249 Ca -0.09 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1fr8 s VAL 249 Cb -0.15 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.54 1fr8 s VAL 249 CO 0.00 0.47 0.01 -0.36 0.00 0.00 0.00 175.10 175.23 1fr8 s PHE 250 N 0.60 3.09 0.02 5.22 0.40 0.25 -0.04 117.98 127.52 1fr8 s PHE 250 Ca -0.02 -1.12 0.03 0.00 -0.60 0.00 0.00 56.93 55.22 1fr8 s PHE 250 Cb -0.14 -2.17 -0.01 0.00 0.51 0.00 0.00 43.02 41.21 1fr8 s PHE 250 CO 0.02 -0.61 -0.10 0.45 0.70 0.00 0.00 175.22 175.69 1fr8 s SER 251 N 1.45 1.12 0.53 1.36 0.15 -0.55 -0.45 113.70 117.31 1fr8 s SER 251 Ca 0.03 -0.33 -0.18 0.00 0.70 0.00 0.00 55.95 56.17 1fr8 s SER 251 Cb -0.16 -0.07 -0.07 0.00 -1.71 0.00 0.00 66.02 64.01 1fr8 s SER 251 CO -0.01 0.01 1.04 -1.81 1.20 0.00 0.00 173.24 173.67 1fr8 s ASP 252 N -0.78 6.17 0.23 5.45 1.01 -0.83 -4.01 116.67 123.91 1fr8 s ASP 252 Ca -0.00 1.84 -0.07 0.00 0.71 0.00 0.00 52.55 55.03 1fr8 s ASP 252 Cb -0.06 -2.54 0.20 0.00 1.01 0.00 0.00 42.92 41.53 1fr8 s ASP 252 CO 0.00 -0.90 1.83 -0.37 0.21 0.00 0.00 175.17 175.95 1fr8 h VAL 253 N 1.06 1.26 0.00 -1.27 -1.51 -1.94 -3.16 116.25 110.69 1fr8 h VAL 253 Ca -0.48 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 1fr8 h VAL 253 Cb 1.21 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1fr8 h VAL 253 CO 0.59 0.31 0.00 -0.90 -1.23 0.00 0.00 177.57 176.33 1fr8 n ASP 254 N -4.31 0.70 -4.23 4.19 5.68 -1.26 -4.63 116.55 112.69 1fr8 n ASP 254 Ca 0.09 -1.45 -0.28 0.00 -0.50 0.00 0.00 54.79 52.65 1fr8 n ASP 254 Cb 0.13 -0.35 -0.16 0.00 -1.14 0.00 0.00 41.12 39.60 1fr8 n ASP 254 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1fr8 s LEU 255 N -0.03 2.03 -0.03 -2.12 1.43 -1.20 -1.71 118.68 117.05 1fr8 s LEU 255 Ca 0.00 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1fr8 s LEU 255 Cb 0.00 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1fr8 s LEU 255 CO 0.00 0.25 -0.08 -0.63 0.23 0.00 0.00 176.35 176.12 1fr8 s ILE 256 N -0.40 0.75 0.32 -0.59 -1.09 -0.75 -4.94 121.20 114.51 1fr8 s ILE 256 Ca 0.05 -0.32 -0.26 0.00 -2.23 0.00 0.00 60.65 57.89 1fr8 s ILE 256 Cb -0.10 -0.69 -0.10 0.00 -1.58 0.00 0.00 42.46 40.00 1fr8 s ILE 256 CO 0.00 0.25 0.95 -2.16 -1.23 0.00 0.00 174.94 172.75 1fr8 s PRO 257 N 0.34 4.57 -0.06 2.79 0.04 -1.26 -0.63 135.00 140.80 1fr8 s PRO 257 Ca -0.05 1.35 0.19 0.00 0.04 0.00 0.00 61.00 62.53 1fr8 s PRO 257 Cb -0.10 -2.81 0.65 0.00 0.04 0.00 0.00 34.50 32.28 1fr8 s PRO 257 CO 0.01 0.27 1.56 -1.33 0.04 0.00 0.00 177.00 177.54 1fr8 n MET 258 N 0.57 3.25 -3.21 4.56 2.81 0.64 -4.84 117.12 120.91 1fr8 n MET 258 Ca 0.02 -2.73 0.04 0.00 -1.81 0.00 0.00 57.70 53.21 1fr8 n MET 258 Cb 0.50 -1.71 -0.01 0.00 -0.71 0.00 0.00 33.22 31.28 1fr8 n MET 258 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1fr8 s ASN 259 N -0.99 -1.30 0.00 7.83 3.04 -1.26 -1.51 114.94 120.74 1fr8 s ASN 259 Ca 0.48 0.92 0.05 0.00 0.04 0.00 0.00 52.86 54.34 1fr8 s ASN 259 Cb 0.28 2.13 0.29 0.00 -1.54 0.00 0.00 41.25 42.42 1fr8 s ASN 259 CO 0.27 -0.24 0.69 -0.90 -3.04 0.00 0.00 177.10 173.87 1fr8 n ASP 260 N 5.43 0.00 0.00 -4.21 3.85 -1.11 -1.40 116.55 119.11 1fr8 n ASP 260 Ca -0.03 -0.25 0.15 0.00 -0.71 0.00 0.00 54.79 53.96 1fr8 n ASP 260 Cb 0.51 0.00 0.80 0.00 -1.35 0.00 0.00 41.12 41.08 1fr8 n ASP 260 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1fr8 n HIS 261 N -0.88 0.00 -2.79 2.11 8.25 -1.26 -4.14 115.22 116.51 1fr8 n HIS 261 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.06 1fr8 n HIS 261 Cb 0.02 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1fr8 n HIS 261 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1fr8 n ASN 262 N -1.22 5.45 -4.69 0.41 5.15 -0.50 -5.00 115.26 114.86 1fr8 n ASN 262 Ca 0.17 -3.12 -0.43 0.00 -0.60 0.00 0.00 54.58 50.59 1fr8 n ASN 262 Cb 0.21 -1.45 -0.03 0.00 -0.53 0.00 0.00 39.78 37.97 1fr8 n ASN 262 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1fr8 n THR 263 N 3.23 0.33 -1.27 -0.44 -1.04 -1.26 -4.89 114.28 108.94 1fr8 n THR 263 Ca 0.34 -0.06 -0.37 0.00 -2.04 0.00 0.00 64.05 61.92 1fr8 n THR 263 Cb 0.38 -2.02 -0.02 0.00 -1.82 0.00 0.00 70.33 66.84 1fr8 n THR 263 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1fr8 n TYR 264 N 5.42 2.41 -4.36 -1.42 4.02 -1.26 -4.82 117.16 117.14 1fr8 n TYR 264 Ca 0.18 -2.77 -0.21 0.00 -0.01 0.00 0.00 57.90 55.09 1fr8 n TYR 264 Cb 0.35 -2.30 -0.08 0.00 -0.02 0.00 0.00 39.34 37.29 1fr8 n TYR 264 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1fr8 s ARG 265 N 2.81 1.76 0.27 -0.72 1.70 -1.26 -4.95 118.95 118.56 1fr8 s ARG 265 Ca 0.59 -2.03 -0.03 0.00 -0.47 0.00 0.00 55.73 53.78 1fr8 s ARG 265 Cb 0.15 -0.06 -0.05 0.00 -0.57 0.00 0.00 34.95 34.43 1fr8 s ARG 265 CO -0.05 -0.55 0.51 0.00 -1.08 0.00 0.00 175.30 174.13 1fr8 n PHE 267 N -1.00 0.25 0.28 0.00 3.01 -1.26 -5.03 117.46 113.72 1fr8 n PHE 267 Ca -0.03 -1.11 0.15 0.00 1.01 0.00 0.00 57.45 57.47 1fr8 n PHE 267 Cb 0.54 -0.06 0.84 0.00 -0.01 0.00 0.00 39.48 40.79 1fr8 n PHE 267 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1fr8 h SER 268 N 0.63 0.00 -3.71 4.37 4.64 -2.01 -3.43 113.55 114.05 1fr8 h SER 268 Ca -0.16 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.76 1fr8 h SER 268 Cb 0.54 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.48 1fr8 h SER 268 CO 0.25 0.06 -0.64 -1.10 -0.87 0.00 0.00 176.83 174.54 1fr8 s GLN 269 N -4.31 1.44 0.43 4.77 -1.52 -1.26 -5.05 119.66 114.15 1fr8 s GLN 269 Ca -0.04 -1.75 -0.26 0.00 -1.95 0.00 0.00 55.36 51.37 1fr8 s GLN 269 Cb 0.14 -0.69 -0.09 0.00 -0.22 0.00 0.00 33.01 32.15 1fr8 s GLN 269 CO 0.55 -0.12 1.40 -2.30 -0.25 0.00 0.00 175.29 174.57 1fr8 n PRO 270 N -0.50 2.25 -4.23 2.91 -0.02 -1.23 -4.68 135.00 129.51 1fr8 n PRO 270 Ca -0.04 0.80 -0.34 0.00 -2.02 0.00 0.00 63.50 61.90 1fr8 n PRO 270 Cb 0.65 -2.57 -0.12 0.00 -0.02 0.00 0.00 33.50 31.43 1fr8 n PRO 270 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1fr8 s ARG 271 N -2.31 3.67 -0.39 -0.52 1.81 0.06 -0.52 118.95 120.75 1fr8 s ARG 271 Ca 0.59 -0.51 -0.14 0.00 -1.72 0.00 0.00 55.73 53.96 1fr8 s ARG 271 Cb -0.47 -3.00 0.01 0.00 -0.45 0.00 0.00 34.95 31.04 1fr8 s ARG 271 CO 0.59 0.14 0.27 -1.58 -0.68 0.00 0.00 175.30 174.04 1fr8 s HIS 272 N 0.64 3.24 -0.12 -0.53 5.65 -0.08 0.14 115.29 124.23 1fr8 s HIS 272 Ca -0.01 -0.60 -0.05 0.00 0.25 0.00 0.00 55.06 54.65 1fr8 s HIS 272 Cb -0.14 -2.53 -0.02 0.00 -1.18 0.00 0.00 32.58 28.70 1fr8 s HIS 272 CO 0.02 -0.56 -0.07 0.82 -0.65 0.00 0.00 174.74 174.30 1fr8 h ILE 273 N 5.65 0.04 0.00 0.89 2.04 -1.40 -3.36 117.51 121.37 1fr8 h ILE 273 Ca -0.28 -1.03 -0.60 0.00 1.00 0.00 0.00 64.86 63.95 1fr8 h ILE 273 Cb 1.12 0.08 0.11 0.00 -0.74 0.00 0.00 36.82 37.39 1fr8 h ILE 273 CO 0.70 0.01 1.71 -1.54 0.00 0.00 0.00 178.15 179.03 1fr8 n SER 274 N -4.69 1.56 0.04 1.72 3.41 -1.04 -4.65 113.62 109.98 1fr8 n SER 274 Ca -0.04 -2.55 -0.19 0.00 -0.26 0.00 0.00 58.87 55.83 1fr8 n SER 274 Cb 0.15 -0.72 -0.09 0.00 -0.26 0.00 0.00 64.21 63.28 1fr8 n SER 274 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1fr8 h VAL 275 N 4.77 1.30 -3.19 -3.33 2.07 -1.78 -3.43 116.25 112.65 1fr8 h VAL 275 Ca 0.31 -2.26 -0.59 0.00 0.82 0.00 0.00 66.70 64.99 1fr8 h VAL 275 Cb 0.66 2.35 -0.40 0.00 -1.52 0.00 0.00 31.29 32.39 1fr8 h VAL 275 CO 1.99 0.70 -0.75 0.00 0.02 0.00 0.00 177.57 179.52 1fr8 s ALA 276 N -3.35 1.71 -0.08 1.67 0.00 -0.13 -3.59 121.76 117.99 1fr8 s ALA 276 Ca -0.09 -1.83 -0.13 0.00 0.00 0.00 0.00 51.96 49.91 1fr8 s ALA 276 Cb 0.07 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1fr8 s ALA 276 CO 0.91 -1.70 0.32 -1.64 0.00 0.00 0.00 175.76 173.65 1fr8 s MET 277 N 1.45 3.93 0.19 0.00 1.00 -1.26 0.03 119.30 124.65 1fr8 s MET 277 Ca 0.11 0.21 -0.14 0.00 0.00 0.00 0.00 55.69 55.86 1fr8 s MET 277 Cb -0.18 -3.28 0.19 0.00 0.00 0.00 0.00 34.83 31.56 1fr8 s MET 277 CO -0.22 0.55 1.65 0.38 0.00 0.00 0.00 175.02 177.39 1fr8 h ASP 278 N 5.43 -0.42 0.00 3.03 2.03 -1.29 0.66 116.42 125.86 1fr8 h ASP 278 Ca -0.49 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 1fr8 h ASP 278 Cb 1.20 0.30 0.00 0.00 -0.83 0.00 0.00 39.33 40.01 1fr8 h ASP 278 CO 0.65 -0.15 0.00 2.29 -1.03 0.00 0.00 179.24 181.00 1fr8 n LYS 279 N -5.34 0.59 -0.51 4.15 -0.00 -1.26 -1.31 118.16 114.48 1fr8 n LYS 279 Ca 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.43 1fr8 n LYS 279 Cb 0.29 -1.44 0.20 0.00 -0.00 0.00 0.00 35.03 34.07 1fr8 n LYS 279 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1fr8 n PHE 280 N -0.94 0.05 -2.22 5.58 0.99 -0.13 -0.60 117.46 120.18 1fr8 n PHE 280 Ca 0.13 -1.41 -0.21 0.00 -0.00 0.00 0.00 57.45 55.96 1fr8 n PHE 280 Cb 0.06 -0.24 -0.03 0.00 -1.00 0.00 0.00 39.48 38.27 1fr8 n PHE 280 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1fr8 n GLY 281 N -1.17 0.05 3.01 1.37 0.00 -0.42 -2.44 105.19 105.58 1fr8 n GLY 281 Ca 0.19 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1fr8 n GLY 281 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fr8 n PHE 282 N -3.66 -1.79 -4.22 1.61 3.01 0.21 -4.97 117.46 107.65 1fr8 n PHE 282 Ca -0.24 0.42 -0.19 0.00 1.01 0.00 0.00 57.45 58.44 1fr8 n PHE 282 Cb 0.69 -3.89 -0.12 0.00 -0.01 0.00 0.00 39.48 36.15 1fr8 n PHE 282 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1fr8 s SER 283 N -2.59 1.97 0.06 4.37 1.04 -1.02 -4.69 113.70 112.84 1fr8 s SER 283 Ca 0.28 -0.70 -0.31 0.00 0.48 0.00 0.00 55.95 55.70 1fr8 s SER 283 Cb -0.13 -0.08 -0.06 0.00 0.10 0.00 0.00 66.02 65.86 1fr8 s SER 283 CO 0.34 -0.07 1.19 -0.22 0.98 0.00 0.00 173.24 175.46 1fr8 s LEU 284 N -2.01 4.37 0.42 2.42 2.96 -1.24 -4.47 118.68 121.13 1fr8 s LEU 284 Ca 0.03 2.01 0.14 0.00 -0.22 0.00 0.00 54.13 56.09 1fr8 s LEU 284 Cb -0.08 -3.58 1.02 0.00 0.50 0.00 0.00 46.19 44.05 1fr8 s LEU 284 CO 0.03 -0.46 1.94 -0.65 -1.32 0.00 0.00 176.35 175.89 1fr8 h PRO 285 N 6.79 0.42 -1.21 0.98 0.11 -1.92 -3.45 132.00 133.73 1fr8 h PRO 285 Ca -0.42 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 65.91 1fr8 h PRO 285 Cb 1.21 -0.10 -0.24 0.00 0.11 0.00 0.00 31.00 31.99 1fr8 h PRO 285 CO 0.81 0.28 0.88 1.52 -0.21 0.00 0.00 178.00 181.28 1fr8 s TYR 286 N -5.42 -0.09 0.60 0.65 -0.85 -1.26 -4.99 117.35 105.99 1fr8 s TYR 286 Ca -0.08 0.12 0.30 0.00 -0.52 0.00 0.00 57.07 56.88 1fr8 s TYR 286 Cb 0.20 0.50 1.65 0.00 0.38 0.00 0.00 41.96 44.69 1fr8 s TYR 286 CO 0.76 -0.10 2.05 0.28 -1.52 0.00 0.00 175.55 177.01 1fr8 h VAL 287 N 2.09 0.38 -0.55 -3.49 2.07 -2.04 -0.16 116.25 114.54 1fr8 h VAL 287 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1fr8 h VAL 287 Cb 1.17 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1fr8 h VAL 287 CO 0.23 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.83 1fr8 n GLN 288 N -3.65 4.66 -2.79 1.57 0.00 -1.26 -4.93 117.38 110.98 1fr8 n GLN 288 Ca 0.03 -3.14 -0.42 0.00 0.00 0.00 0.00 57.00 53.47 1fr8 n GLN 288 Cb 0.40 -2.23 -0.03 0.00 0.00 0.00 0.00 30.24 28.38 1fr8 n GLN 288 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1fr8 s TYR 289 N -2.80 3.61 -0.18 2.61 5.04 -0.08 -4.90 117.35 120.65 1fr8 s TYR 289 Ca 0.54 1.56 0.22 0.00 -2.44 0.00 0.00 57.07 56.95 1fr8 s TYR 289 Cb 0.41 -3.05 0.48 0.00 0.35 0.00 0.00 41.96 40.15 1fr8 s TYR 289 CO 0.15 -0.03 1.14 0.34 -1.34 0.00 0.00 175.55 175.81 1fr8 n PHE 290 N 4.10 0.91 -3.35 4.97 7.35 -1.26 -4.98 117.46 125.20 1fr8 n PHE 290 Ca 0.05 -1.60 -0.19 0.00 -0.76 0.00 0.00 57.45 54.95 1fr8 n PHE 290 Cb 0.51 -0.21 -0.00 0.00 0.35 0.00 0.00 39.48 40.12 1fr8 n PHE 290 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1fr8 s GLY 291 N -3.20 1.78 0.00 7.13 0.00 -1.26 -4.85 107.32 106.92 1fr8 s GLY 291 Ca 0.31 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1fr8 s GLY 291 CO -0.08 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.17 1fr8 n GLY 292 N -1.68 1.15 2.89 0.20 0.00 -1.26 -4.76 105.19 101.74 1fr8 n GLY 292 Ca 0.03 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1fr8 n GLY 292 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fr8 s VAL 293 N 0.00 0.60 0.18 1.61 1.01 -1.26 -1.97 120.40 120.57 1fr8 s VAL 293 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 1fr8 s VAL 293 Cb 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1fr8 s VAL 293 CO 0.00 0.25 0.28 -0.94 0.00 0.00 0.00 175.10 174.69 1fr8 s SER 294 N 1.04 0.05 -0.01 3.32 1.04 0.40 -1.08 113.70 118.46 1fr8 s SER 294 Ca -0.09 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 55.41 1fr8 s SER 294 Cb -0.14 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 1fr8 s SER 294 CO -0.01 -0.92 -0.04 0.00 0.98 0.00 0.00 173.24 173.25 1fr8 s ALA 295 N -4.00 0.41 0.02 5.32 0.00 0.12 0.85 121.76 124.48 1fr8 s ALA 295 Ca 0.20 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.00 1fr8 s ALA 295 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1fr8 s ALA 295 CO 0.03 0.08 -0.05 -0.51 0.00 0.00 0.00 175.76 175.31 1fr8 s LEU 296 N 0.01 2.15 0.67 0.00 1.02 0.34 -0.76 118.68 122.10 1fr8 s LEU 296 Ca 0.00 -0.34 -0.11 0.00 0.02 0.00 0.00 54.13 53.71 1fr8 s LEU 296 Cb -0.03 -0.13 -0.01 0.00 0.02 0.00 0.00 46.19 46.04 1fr8 s LEU 296 CO -0.00 -0.12 1.05 -0.94 0.02 0.00 0.00 176.35 176.36 1fr8 s SER 297 N -0.93 5.67 0.17 2.29 1.04 -1.26 -0.15 113.70 120.53 1fr8 s SER 297 Ca -0.06 1.49 -0.16 0.00 0.48 0.00 0.00 55.95 57.69 1fr8 s SER 297 Cb -0.06 -2.42 0.11 0.00 0.10 0.00 0.00 66.02 63.75 1fr8 s SER 297 CO -0.00 -1.24 1.67 0.50 0.98 0.00 0.00 173.24 175.15 1fr8 h LYS 298 N -0.58 0.02 0.04 4.02 3.64 -1.84 0.33 116.57 122.21 1fr8 h LYS 298 Ca -0.44 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1fr8 h LYS 298 Cb 1.21 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1fr8 h LYS 298 CO 0.59 0.01 -0.24 0.37 -2.27 0.00 0.00 179.45 177.92 1fr8 h GLN 299 N 0.02 -0.38 -0.82 1.90 5.75 -1.92 0.21 115.11 119.87 1fr8 h GLN 299 Ca 0.20 0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.77 1fr8 h GLN 299 Cb 0.31 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.90 1fr8 h GLN 299 CO -0.42 -0.26 0.52 1.96 -2.65 0.00 0.00 178.83 177.99 1fr8 h GLN 300 N -0.40 0.98 -0.07 1.69 4.20 -1.69 0.69 115.11 120.52 1fr8 h GLN 300 Ca 0.05 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1fr8 h GLN 300 Cb 0.46 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1fr8 h GLN 300 CO -0.19 0.65 0.03 0.35 -0.67 0.00 0.00 178.83 179.00 1fr8 h PHE 301 N 1.01 0.09 -0.32 2.96 3.57 0.49 -3.02 116.94 121.72 1fr8 h PHE 301 Ca 0.33 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.88 1fr8 h PHE 301 Cb 0.03 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1fr8 h PHE 301 CO -0.03 0.17 0.03 -0.07 -2.23 0.00 0.00 178.31 176.17 1fr8 h LEU 302 N -0.01 -0.07 -1.33 0.59 4.07 -0.24 -1.75 115.31 116.57 1fr8 h LEU 302 Ca 0.02 0.06 0.29 0.00 0.08 0.00 0.00 57.88 58.34 1fr8 h LEU 302 Cb 0.11 0.11 -0.10 0.00 1.08 0.00 0.00 40.66 41.85 1fr8 h LEU 302 CO -0.00 -0.00 0.68 -1.28 -1.08 0.00 0.00 178.44 176.76 1fr8 h SER 303 N 0.12 0.44 -0.64 -0.43 0.87 -0.75 0.43 113.55 113.60 1fr8 h SER 303 Ca 0.15 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1fr8 h SER 303 Cb 0.19 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1fr8 h SER 303 CO -0.23 0.04 0.00 2.30 -0.53 0.00 0.00 176.83 178.40 1fr8 n ILE 304 N -4.68 0.85 -3.28 2.23 -5.35 -0.93 -4.92 119.36 103.27 1fr8 n ILE 304 Ca 0.27 -0.88 -0.18 0.00 -0.27 0.00 0.00 62.75 61.69 1fr8 n ILE 304 Cb 0.95 0.52 0.06 0.00 -1.74 0.00 0.00 39.64 39.43 1fr8 n ILE 304 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1fr8 n ASN 305 N 1.48 -5.34 0.00 7.28 4.05 0.14 -4.72 115.26 118.15 1fr8 n ASN 305 Ca 0.22 -0.39 0.00 0.00 0.45 0.00 0.00 54.58 54.86 1fr8 n ASN 305 Cb 0.58 -3.97 0.00 0.00 1.23 0.00 0.00 39.78 37.61 1fr8 n ASN 305 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1fr8 n GLY 306 N -1.63 2.44 3.67 8.20 0.00 -0.70 -0.93 105.19 116.23 1fr8 n GLY 306 Ca -0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1fr8 n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fr8 s PHE 307 N 0.00 2.67 0.67 1.61 0.08 -1.26 -4.85 117.98 116.90 1fr8 s PHE 307 Ca 0.00 -0.31 -0.16 0.00 0.12 0.00 0.00 56.93 56.58 1fr8 s PHE 307 Cb 0.00 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 41.09 1fr8 s PHE 307 CO 0.00 0.52 1.19 -1.25 -0.10 0.00 0.00 175.22 175.58 1fr8 s PRO 308 N -3.73 2.51 0.00 0.24 0.04 -1.26 -4.10 135.00 128.71 1fr8 s PRO 308 Ca 0.34 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.14 1fr8 s PRO 308 Cb -0.04 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1fr8 s PRO 308 CO 0.21 -1.54 0.34 0.09 0.04 0.00 0.00 177.00 176.14 1fr8 n ASN 309 N -2.31 0.62 -0.65 6.66 3.02 -1.26 -3.77 115.26 117.57 1fr8 n ASN 309 Ca 0.13 -0.81 0.13 0.00 -0.03 0.00 0.00 54.58 54.00 1fr8 n ASN 309 Cb 0.50 0.64 0.37 0.00 -0.61 0.00 0.00 39.78 40.69 1fr8 n ASN 309 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1fr8 n ASN 310 N -0.61 2.04 -4.49 6.41 5.03 -1.26 -4.68 115.26 117.69 1fr8 n ASN 310 Ca 0.01 -1.68 -0.43 0.00 0.87 0.00 0.00 54.58 53.36 1fr8 n ASN 310 Cb 0.08 -0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.81 1fr8 n ASN 310 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1fr8 s TYR 311 N -2.00 2.95 -1.41 3.10 1.51 -1.26 -4.91 117.35 115.33 1fr8 s TYR 311 Ca 0.34 -1.25 -0.08 0.00 -1.01 0.00 0.00 57.07 55.08 1fr8 s TYR 311 Cb 0.21 -4.42 -0.00 0.00 -0.11 0.00 0.00 41.96 37.64 1fr8 s TYR 311 CO 0.32 -1.63 2.73 0.91 -1.11 0.00 0.00 175.55 176.78 1fr8 n TRP 312 N 7.26 2.40 0.00 2.71 7.02 -1.26 -4.61 117.44 130.95 1fr8 n TRP 312 Ca 0.27 -2.90 0.00 0.00 -1.02 0.00 0.00 57.50 53.86 1fr8 n TRP 312 Cb 0.49 -2.16 0.00 0.00 -2.42 0.00 0.00 31.31 27.23 1fr8 n TRP 312 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fr8 n GLY 313 N 2.67 1.20 0.50 6.99 0.00 -1.16 -4.70 105.19 110.69 1fr8 n GLY 313 Ca 0.70 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.79 1fr8 n GLY 313 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1fr8 n TRP 314 N -2.00 0.29 -0.92 1.61 2.14 -1.26 -5.01 117.44 112.29 1fr8 n TRP 314 Ca 0.00 -0.15 0.10 0.00 2.07 0.00 0.00 57.50 59.53 1fr8 n TRP 314 Cb 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 30.44 1fr8 n TRP 314 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1fr8 n GLY 315 N 1.01 -3.16 0.00 -1.67 0.00 -1.26 -4.96 105.19 95.14 1fr8 n GLY 315 Ca 0.12 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1fr8 n GLY 315 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr8 n GLY 316 N -3.38 0.82 0.37 -0.02 0.00 -1.26 -4.98 105.19 96.75 1fr8 n GLY 316 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1fr8 n GLY 316 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1fr8 h GLU 317 N 1.81 0.57 0.00 1.61 9.09 -1.94 0.37 114.58 126.09 1fr8 h GLU 317 Ca 0.00 -0.03 -0.07 0.00 0.05 0.00 0.00 59.36 59.30 1fr8 h GLU 317 Cb 0.00 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 26.96 1fr8 h GLU 317 CO 0.00 0.38 -0.35 0.38 0.05 0.00 0.00 179.01 179.47 1fr8 h ASP 318 N 0.59 0.00 0.10 3.06 2.03 -1.93 -0.54 116.42 119.74 1fr8 h ASP 318 Ca 0.38 0.00 -0.24 0.00 -0.73 0.00 0.00 57.03 56.43 1fr8 h ASP 318 Cb 0.64 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.16 1fr8 h ASP 318 CO -0.14 0.35 -0.96 0.44 -1.03 0.00 0.00 179.24 177.89 1fr8 h ASP 319 N 0.00 0.77 0.08 4.15 3.32 -0.77 -2.55 116.42 121.42 1fr8 h ASP 319 Ca -0.00 -0.60 0.01 0.00 0.02 0.00 0.00 57.03 56.46 1fr8 h ASP 319 Cb 1.16 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1fr8 h ASP 319 CO 0.05 1.39 -0.13 -0.78 -1.72 0.00 0.00 179.24 178.05 1fr8 h ASP 320 N 0.36 -0.37 -1.00 6.45 3.58 -0.59 -1.54 116.42 123.30 1fr8 h ASP 320 Ca -0.10 0.04 0.14 0.00 0.42 0.00 0.00 57.03 57.53 1fr8 h ASP 320 Cb 1.60 0.14 -0.09 0.00 1.72 0.00 0.00 39.33 42.70 1fr8 h ASP 320 CO 0.18 -0.20 0.63 0.40 -2.88 0.00 0.00 179.24 177.37 1fr8 h ILE 321 N -0.27 0.87 -0.21 2.25 2.04 -1.08 0.20 117.51 121.32 1fr8 h ILE 321 Ca 0.02 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1fr8 h ILE 321 Cb 0.28 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1fr8 h ILE 321 CO -0.07 0.17 -0.21 0.22 0.00 0.00 0.00 178.15 178.26 1fr8 h TYR 322 N 0.94 0.40 -0.39 1.37 3.20 -0.98 -2.32 116.97 119.19 1fr8 h TYR 322 Ca 0.52 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 62.20 1fr8 h TYR 322 Cb 0.58 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1fr8 h TYR 322 CO -0.00 0.56 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.95 1fr8 h ASN 323 N 0.33 0.85 -0.91 -2.11 2.35 0.25 -2.73 115.58 113.62 1fr8 h ASN 323 Ca 0.06 -0.41 0.04 0.00 -0.55 0.00 0.00 56.30 55.43 1fr8 h ASN 323 Cb 0.55 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.63 1fr8 h ASN 323 CO 0.04 1.08 0.59 0.03 -1.65 0.00 0.00 177.43 177.51 1fr8 h ARG 324 N 0.62 1.10 -0.32 0.81 3.08 -0.30 -1.13 114.38 118.24 1fr8 h ARG 324 Ca 0.08 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 1fr8 h ARG 324 Cb 0.77 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1fr8 h ARG 324 CO 0.06 0.73 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.37 1fr8 h LEU 325 N 1.13 0.64 -0.48 3.04 3.38 -1.28 -2.12 115.31 119.63 1fr8 h LEU 325 Ca 0.36 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1fr8 h LEU 325 Cb 0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1fr8 h LEU 325 CO -0.12 0.87 0.02 0.00 0.09 0.00 0.00 178.44 179.30 1fr8 h ALA 326 N 1.18 0.64 -0.26 1.53 0.00 -1.02 -0.76 119.26 120.58 1fr8 h ALA 326 Ca 0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1fr8 h ALA 326 Cb 0.72 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1fr8 h ALA 326 CO 0.05 0.43 -0.09 0.74 0.00 0.00 0.00 179.25 180.39 1fr8 h PHE 327 N 0.69 0.43 -0.35 0.00 0.05 -0.97 -2.38 116.94 114.41 1fr8 h PHE 327 Ca 0.14 -0.05 -0.09 0.00 3.82 0.00 0.00 57.97 61.78 1fr8 h PHE 327 Cb 0.48 -0.12 -0.05 0.00 2.00 0.00 0.00 35.95 38.26 1fr8 h PHE 327 CO 0.04 0.50 0.12 0.54 -0.18 0.00 0.00 178.31 179.32 1fr8 n ARG 328 N -4.25 2.37 -1.40 1.51 5.12 -0.82 -4.90 116.66 114.29 1fr8 n ARG 328 Ca 0.00 -1.46 -0.14 0.00 -1.93 0.00 0.00 57.85 54.33 1fr8 n ARG 328 Cb 0.28 -1.75 -0.06 0.00 -1.16 0.00 0.00 32.46 29.77 1fr8 n ARG 328 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fr8 n GLY 329 N 0.08 1.45 3.82 -0.13 0.00 -0.90 -5.01 105.19 104.50 1fr8 n GLY 329 Ca 0.19 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1fr8 n GLY 329 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fr8 s MET 330 N -3.16 2.66 0.41 1.61 -1.94 -0.31 -5.04 119.30 113.53 1fr8 s MET 330 Ca 0.00 -1.33 0.04 0.00 -1.71 0.00 0.00 55.69 52.69 1fr8 s MET 330 Cb 0.00 -2.41 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 1fr8 s MET 330 CO 0.00 0.14 0.11 -1.54 -0.01 0.00 0.00 175.02 173.72 1fr8 s SER 331 N -3.94 2.88 -0.13 3.03 1.04 -1.26 -4.07 113.70 111.26 1fr8 s SER 331 Ca 0.39 -1.65 -0.06 0.00 0.48 0.00 0.00 55.95 55.12 1fr8 s SER 331 Cb -0.05 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1fr8 s SER 331 CO 0.25 -0.90 0.08 -0.69 0.98 0.00 0.00 173.24 172.96 1fr8 s VAL 332 N -3.18 4.97 -0.10 5.02 1.01 -1.26 -3.55 120.40 123.30 1fr8 s VAL 332 Ca 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1fr8 s VAL 332 Cb 0.03 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1fr8 s VAL 332 CO 0.14 0.57 -0.04 -0.55 0.00 0.00 0.00 175.10 175.22 1fr8 s SER 333 N -0.63 4.87 0.02 3.32 0.15 0.33 -4.99 113.70 116.76 1fr8 s SER 333 Ca 0.12 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.77 1fr8 s SER 333 Cb -0.12 -1.47 -0.01 0.00 -1.71 0.00 0.00 66.02 62.71 1fr8 s SER 333 CO 0.02 0.30 -0.06 -0.13 1.20 0.00 0.00 173.24 174.57 1fr8 s ARG 334 N -0.42 0.46 0.82 5.44 0.52 -1.26 -0.90 118.95 123.61 1fr8 s ARG 334 Ca 0.07 -0.45 -0.12 0.00 -0.52 0.00 0.00 55.73 54.71 1fr8 s ARG 334 Cb -0.12 -0.34 0.08 0.00 0.52 0.00 0.00 34.95 35.09 1fr8 s ARG 334 CO 0.02 0.08 1.12 -1.25 0.02 0.00 0.00 175.30 175.29 1fr8 s PRO 335 N -0.80 1.89 0.85 3.54 0.04 -1.26 -5.01 135.00 134.25 1fr8 s PRO 335 Ca -0.04 0.43 -0.12 0.00 0.04 0.00 0.00 61.00 61.32 1fr8 s PRO 335 Cb -0.06 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.67 1fr8 s PRO 335 CO 0.00 -1.71 1.13 0.54 0.04 0.00 0.00 177.00 177.00 1fr8 s ASN 336 N -4.10 4.08 0.23 6.66 6.03 -1.26 -4.73 114.94 121.85 1fr8 s ASN 336 Ca 0.61 1.05 -0.06 0.00 -1.03 0.00 0.00 52.86 53.44 1fr8 s ASN 336 Cb -0.14 -1.68 0.41 0.00 -3.03 0.00 0.00 41.25 36.81 1fr8 s ASN 336 CO 0.53 -2.20 1.72 0.00 -2.03 0.00 0.00 177.10 175.12 1fr8 h ALA 337 N -1.25 0.95 -0.08 3.54 0.00 -1.95 0.46 119.26 120.93 1fr8 h ALA 337 Ca -0.48 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1fr8 h ALA 337 Cb 1.31 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1fr8 h ALA 337 CO 0.62 -0.24 0.00 0.28 0.00 0.00 0.00 179.25 179.91 1fr8 n VAL 338 N -5.04 0.00 0.33 0.00 0.31 -1.26 -3.40 118.33 109.27 1fr8 n VAL 338 Ca 0.13 1.14 0.22 0.00 -0.01 0.00 0.00 64.34 65.82 1fr8 n VAL 338 Cb 0.38 -2.13 1.18 0.00 -0.91 0.00 0.00 33.84 32.36 1fr8 n VAL 338 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 1fr8 h ILE 339 N 0.00 0.06 -0.76 2.52 -0.00 -1.93 -2.58 117.51 114.81 1fr8 h ILE 339 Ca 0.00 -0.01 -0.50 0.00 -0.00 0.00 0.00 64.86 64.34 1fr8 h ILE 339 Cb 0.00 1.01 -0.22 0.00 -0.00 0.00 0.00 36.82 37.61 1fr8 h ILE 339 CO 0.00 0.00 0.65 0.61 -0.00 0.00 0.00 178.15 179.41 1fr8 n GLY 340 N -1.08 4.96 3.84 0.16 0.00 0.16 -4.39 105.19 108.85 1fr8 n GLY 340 Ca -0.03 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 1fr8 n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr8 s LYS 341 N -2.87 3.99 0.04 1.61 1.02 -0.98 -0.96 119.74 121.59 1fr8 s LYS 341 Ca 0.49 0.49 -0.02 0.00 0.02 0.00 0.00 55.97 56.95 1fr8 s LYS 341 Cb 0.38 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 1fr8 s LYS 341 CO 0.00 0.52 0.00 0.00 -0.92 0.00 0.00 175.35 174.95 1fr8 s ARG 343 N -3.17 2.23 -0.17 0.00 1.81 0.20 -0.73 118.95 119.12 1fr8 s ARG 343 Ca -0.00 -0.99 -0.06 0.00 -1.72 0.00 0.00 55.73 52.96 1fr8 s ARG 343 Cb 0.02 -2.36 -0.04 0.00 -0.45 0.00 0.00 34.95 32.13 1fr8 s ARG 343 CO -0.07 0.51 0.03 1.41 -0.68 0.00 0.00 175.30 176.50 1fr8 s MET 344 N -2.28 3.81 -0.49 3.54 -2.45 -1.26 -1.81 119.30 118.36 1fr8 s MET 344 Ca 0.23 -0.40 -0.26 0.00 -1.25 0.00 0.00 55.69 54.01 1fr8 s MET 344 Cb -0.11 -3.09 -0.05 0.00 1.25 0.00 0.00 34.83 32.82 1fr8 s MET 344 CO 0.15 0.31 2.23 0.42 1.05 0.00 0.00 175.02 179.18 1fr8 s ILE 345 N 0.24 3.11 -0.34 10.11 1.01 -0.69 -4.86 121.20 129.78 1fr8 s ILE 345 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 1fr8 s ILE 345 Cb -0.13 -3.27 0.14 0.00 0.01 0.00 0.00 42.46 39.21 1fr8 s ILE 345 CO 0.01 -0.25 0.24 0.00 0.00 0.00 0.00 174.94 174.95 1fr8 s ARG 346 N 7.68 0.48 0.00 2.79 1.70 -1.26 -5.00 118.95 125.34 1fr8 s ARG 346 Ca 0.90 -0.96 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 1fr8 s ARG 346 Cb -0.18 -1.07 0.00 0.00 -0.57 0.00 0.00 34.95 33.13 1fr8 s ARG 346 CO 0.26 -1.16 0.00 -2.39 -1.08 0.00 0.00 175.30 170.93 1fr8 n HIS 347 N 4.43 -0.02 0.00 5.89 1.44 -1.26 -4.49 115.22 121.21 1fr8 n HIS 347 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1fr8 n HIS 347 Cb 0.41 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.52 1fr8 n HIS 347 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1fr8 n SER 348 N 0.00 0.00 -2.66 4.39 7.64 -1.26 -2.89 113.62 118.83 1fr8 n SER 348 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1fr8 n SER 348 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 1fr8 n SER 348 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1fr8 n ARG 349 N 0.00 0.16 -1.54 1.43 3.00 -1.26 -5.01 116.66 113.44 1fr8 n ARG 349 Ca 0.00 -0.73 -0.31 0.00 -0.00 0.00 0.00 57.85 56.81 1fr8 n ARG 349 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 32.46 32.27 1fr8 n ARG 349 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1fr8 n ASP 350 N 0.70 6.95 0.09 6.15 8.00 -1.14 -4.71 116.55 132.58 1fr8 n ASP 350 Ca -0.04 -3.46 0.06 0.00 0.71 0.00 0.00 54.79 52.06 1fr8 n ASP 350 Cb 0.75 -1.13 0.30 0.00 -0.02 0.00 0.00 41.12 41.01 1fr8 n ASP 350 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1fr8 n LYS 351 N 0.16 0.07 -1.98 -1.24 3.00 -1.26 -4.79 118.16 112.12 1fr8 n LYS 351 Ca 0.50 0.56 -0.41 0.00 -0.00 0.00 0.00 58.31 58.96 1fr8 n LYS 351 Cb 0.46 -1.76 -0.02 0.00 0.00 0.00 0.00 35.03 33.72 1fr8 n LYS 351 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1fr8 s LYS 352 N -3.26 4.25 0.12 1.64 2.36 -1.26 -4.95 119.74 118.64 1fr8 s LYS 352 Ca -0.01 2.35 -0.31 0.00 -2.55 0.00 0.00 55.97 55.44 1fr8 s LYS 352 Cb 0.03 -3.08 -0.09 0.00 -1.05 0.00 0.00 37.83 33.64 1fr8 s LYS 352 CO 0.10 -0.41 1.62 1.21 1.55 0.00 0.00 175.35 179.42 1fr8 s ASN 353 N 0.15 6.58 0.49 1.43 2.47 -1.26 -4.99 114.94 119.81 1fr8 s ASN 353 Ca 0.57 2.56 -0.19 0.00 0.42 0.00 0.00 52.86 56.22 1fr8 s ASN 353 Cb -0.43 -2.58 -0.09 0.00 -1.45 0.00 0.00 41.25 36.71 1fr8 s ASN 353 CO 0.48 -0.86 1.00 -0.70 -3.72 0.00 0.00 177.10 173.30 1fr8 s GLU 354 N 1.91 3.90 0.10 0.43 2.12 0.23 -5.02 118.70 122.37 1fr8 s GLU 354 Ca 0.72 1.19 -0.31 0.00 0.36 0.00 0.00 54.97 56.94 1fr8 s GLU 354 Cb -0.42 -2.12 -0.08 0.00 0.26 0.00 0.00 34.13 31.77 1fr8 s GLU 354 CO 0.32 -0.33 1.41 -1.25 -0.54 0.00 0.00 175.26 174.88 1fr8 s PRO 355 N -3.48 4.30 0.20 4.30 0.04 -1.26 -4.63 135.00 134.48 1fr8 s PRO 355 Ca 0.64 2.09 -0.30 0.00 0.04 0.00 0.00 61.00 63.46 1fr8 s PRO 355 Cb -0.13 -3.31 -0.16 0.00 0.04 0.00 0.00 34.50 30.94 1fr8 s PRO 355 CO 0.22 -0.48 0.81 -1.71 0.04 0.00 0.00 177.00 175.88 1fr8 n ASN 356 N 4.25 -0.02 -4.77 6.66 5.15 -1.26 -4.85 115.26 120.42 1fr8 n ASN 356 Ca 0.12 1.15 -0.40 0.00 -0.60 0.00 0.00 54.58 54.85 1fr8 n ASN 356 Cb 0.42 -1.08 -0.02 0.00 -0.53 0.00 0.00 39.78 38.57 1fr8 n ASN 356 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1fr8 s PRO 357 N -0.96 4.31 0.01 1.20 0.04 -1.26 -4.97 135.00 133.36 1fr8 s PRO 357 Ca 0.67 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.53 1fr8 s PRO 357 Cb -0.89 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 1fr8 s PRO 357 CO 0.57 -0.20 1.20 -1.14 0.04 0.00 0.00 177.00 177.47 1fr8 s GLN 358 N -1.86 4.40 -0.38 4.56 0.74 -1.26 -4.99 119.66 120.87 1fr8 s GLN 358 Ca 0.50 1.72 -0.21 0.00 0.05 0.00 0.00 55.36 57.43 1fr8 s GLN 358 Cb -0.38 -3.45 0.01 0.00 1.10 0.00 0.00 33.01 30.29 1fr8 s GLN 358 CO 0.50 -0.33 0.65 0.50 -0.55 0.00 0.00 175.29 176.06 1fr8 s ARG 359 N 1.57 3.58 0.09 1.67 3.52 -1.26 -4.91 118.95 123.21 1fr8 s ARG 359 Ca 0.57 -0.04 -0.20 0.00 -0.13 0.00 0.00 55.73 55.94 1fr8 s ARG 359 Cb -0.27 -3.85 -0.07 0.00 -1.56 0.00 0.00 34.95 29.20 1fr8 s ARG 359 CO 0.26 -0.82 0.59 -0.06 -0.81 0.00 0.00 175.30 174.46 1fr8 s PHE 360 N 2.78 3.81 -0.30 5.12 0.40 -1.26 -5.04 117.98 123.48 1fr8 s PHE 360 Ca 0.25 1.29 -0.27 0.00 -0.60 0.00 0.00 56.93 57.60 1fr8 s PHE 360 Cb -0.14 -2.51 0.01 0.00 0.51 0.00 0.00 43.02 40.89 1fr8 s PHE 360 CO 0.16 0.57 0.99 0.34 0.70 0.00 0.00 175.22 177.99 1fr8 s ASP 361 N -1.15 6.88 0.00 1.36 2.15 -1.26 -4.81 116.67 119.85 1fr8 s ASP 361 Ca 0.30 0.99 0.00 0.00 0.43 0.00 0.00 52.55 54.27 1fr8 s ASP 361 Cb -0.20 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1fr8 s ASP 361 CO 0.20 -0.77 0.50 0.54 -0.17 0.00 0.00 175.17 175.46 1fr8 n ARG 362 N 6.60 0.13 0.00 4.34 5.12 -1.26 -4.94 116.66 126.64 1fr8 n ARG 362 Ca 0.10 -0.52 0.00 0.00 -1.93 0.00 0.00 57.85 55.50 1fr8 n ARG 362 Cb 0.47 -0.52 0.00 0.00 -1.16 0.00 0.00 32.46 31.25 1fr8 n ARG 362 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1fr8 n ILE 363 N -0.02 0.00 -0.30 0.55 5.41 -1.26 -0.32 119.36 123.42 1fr8 n ILE 363 Ca 0.00 1.49 0.06 0.00 1.00 0.00 0.00 62.75 65.31 1fr8 n ILE 363 Cb 0.48 -2.07 0.21 0.00 -0.71 0.00 0.00 39.64 37.55 1fr8 n ILE 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1fr8 h ALA 364 N -1.16 1.28 -0.81 -1.39 0.00 -2.00 0.27 119.26 115.45 1fr8 h ALA 364 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1fr8 h ALA 364 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1fr8 h ALA 364 CO 0.00 -0.01 0.54 1.25 0.00 0.00 0.00 179.25 181.02 1fr8 h HIS 365 N 0.70 1.00 -0.17 0.00 -0.00 -1.74 -1.60 115.15 113.35 1fr8 h HIS 365 Ca 0.45 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.76 1fr8 h HIS 365 Cb 0.57 -0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.64 1fr8 h HIS 365 CO -0.07 0.61 -0.24 1.15 -0.00 0.00 0.00 177.93 179.37 1fr8 h THR 366 N 1.06 1.35 -0.60 6.26 2.02 0.14 -0.50 112.91 122.65 1fr8 h THR 366 Ca 0.31 -1.46 0.12 0.00 0.77 0.00 0.00 66.41 66.15 1fr8 h THR 366 Cb -0.05 1.90 -0.09 0.00 -1.74 0.00 0.00 68.15 68.16 1fr8 h THR 366 CO -0.08 0.44 0.09 0.50 0.37 0.00 0.00 175.52 176.84 1fr8 h LYS 367 N 0.10 0.20 0.70 6.66 3.64 -1.13 0.98 116.57 127.72 1fr8 h LYS 367 Ca 0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1fr8 h LYS 367 Cb 0.81 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1fr8 h LYS 367 CO 0.06 0.13 -0.37 1.49 -2.27 0.00 0.00 179.45 178.50 1fr8 h GLU 368 N 0.21 -0.94 0.00 1.90 4.57 -1.12 -3.36 114.58 115.84 1fr8 h GLU 368 Ca 0.31 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 1fr8 h GLU 368 Cb 0.48 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1fr8 h GLU 368 CO -0.44 -0.63 -0.94 0.25 -1.18 0.00 0.00 179.01 176.07 1fr8 n THR 369 N -5.52 0.17 -0.28 0.32 -2.24 -0.21 -4.60 114.28 101.92 1fr8 n THR 369 Ca -0.14 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.39 1fr8 n THR 369 Cb 0.40 0.20 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 1fr8 n THR 369 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1fr8 h MET 370 N 0.00 -0.09 0.00 -0.78 -1.53 -0.96 0.11 114.93 111.68 1fr8 h MET 370 Ca 0.00 0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.24 1fr8 h MET 370 Cb 0.70 0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 31.77 1fr8 h MET 370 CO 0.00 -0.06 -0.15 -0.07 0.14 0.00 0.00 176.91 176.77 1fr8 h LEU 371 N -0.10 0.00 -0.18 3.39 3.38 -1.84 -3.12 115.31 116.85 1fr8 h LEU 371 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1fr8 h LEU 371 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1fr8 h LEU 371 CO -0.81 0.15 -0.65 -1.54 0.09 0.00 0.00 178.44 175.67 1fr8 n SER 372 N -3.72 0.92 -4.14 -0.43 3.41 -0.54 -4.85 113.62 104.28 1fr8 n SER 372 Ca -0.02 -0.96 -0.34 0.00 -0.26 0.00 0.00 58.87 57.29 1fr8 n SER 372 Cb 0.26 0.89 -0.14 0.00 -0.26 0.00 0.00 64.21 64.96 1fr8 n SER 372 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fr8 s ASP 373 N -2.35 4.84 0.00 4.04 2.15 0.28 -4.56 116.67 121.07 1fr8 s ASP 373 Ca 0.07 -1.42 0.00 0.00 0.43 0.00 0.00 52.55 51.63 1fr8 s ASP 373 Cb 0.12 -1.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.05 1fr8 s ASP 373 CO 0.59 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.92 1fr8 n GLY 374 N 4.56 -0.58 0.25 2.66 0.00 -1.26 -4.34 105.19 106.49 1fr8 n GLY 374 Ca -0.11 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.45 1fr8 n GLY 374 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fr8 h LEU 375 N 0.00 0.18 0.00 0.99 3.38 -1.23 -1.13 115.31 117.50 1fr8 h LEU 375 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1fr8 h LEU 375 Cb 0.00 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1fr8 h LEU 375 CO 0.00 0.08 0.00 -0.46 0.09 0.00 0.00 178.44 178.15 1fr8 n ASN 376 N -5.04 0.00 -0.09 -0.43 0.23 -1.26 -2.47 115.26 106.20 1fr8 n ASN 376 Ca 0.11 0.05 0.01 0.00 -0.53 0.00 0.00 54.58 54.22 1fr8 n ASN 376 Cb 0.35 -0.30 0.02 0.00 -2.08 0.00 0.00 39.78 37.76 1fr8 n ASN 376 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1fr8 n SER 377 N -1.30 1.66 -4.62 0.53 3.41 -0.61 -5.04 113.62 107.64 1fr8 n SER 377 Ca 0.09 -1.55 -0.43 0.00 -0.26 0.00 0.00 58.87 56.72 1fr8 n SER 377 Cb 0.16 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1fr8 n SER 377 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1fr8 s LEU 378 N -0.59 3.83 -0.03 1.04 2.96 -0.53 -4.85 118.68 120.52 1fr8 s LEU 378 Ca 0.03 1.64 0.04 0.00 -0.22 0.00 0.00 54.13 55.62 1fr8 s LEU 378 Cb 0.02 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 1fr8 s LEU 378 CO 0.02 -1.36 -0.15 0.42 -1.32 0.00 0.00 176.35 173.96 1fr8 s THR 379 N 5.63 1.22 -0.06 3.68 -4.23 -1.26 -5.07 115.64 115.55 1fr8 s THR 379 Ca 0.76 -0.62 -0.31 0.00 -1.18 0.00 0.00 61.69 60.33 1fr8 s THR 379 Cb -0.26 -1.05 0.11 0.00 1.34 0.00 0.00 72.50 72.65 1fr8 s THR 379 CO 0.31 0.36 1.07 -0.72 -0.54 0.00 0.00 174.62 175.09 1fr8 s TYR 380 N -0.06 -0.20 -0.15 3.99 -0.85 -1.26 -4.80 117.35 114.01 1fr8 s TYR 380 Ca -0.00 0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.65 1fr8 s TYR 380 Cb -0.09 0.54 0.01 0.00 0.38 0.00 0.00 41.96 42.80 1fr8 s TYR 380 CO 0.01 -0.41 -0.21 1.41 -1.52 0.00 0.00 175.55 174.83 1fr8 s MET 381 N -2.78 2.94 -0.50 -3.49 1.75 -0.59 -4.98 119.30 111.65 1fr8 s MET 381 Ca 0.09 -0.82 -0.29 0.00 -1.25 0.00 0.00 55.69 53.42 1fr8 s MET 381 Cb -0.00 -2.42 0.03 0.00 2.84 0.00 0.00 34.83 35.28 1fr8 s MET 381 CO -0.06 -0.06 1.18 0.08 -0.65 0.00 0.00 175.02 175.51 1fr8 s VAL 382 N 0.94 4.12 0.22 10.11 1.01 -1.26 -0.69 120.40 134.86 1fr8 s VAL 382 Ca -0.04 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.11 1fr8 s VAL 382 Cb -0.15 -4.60 -0.08 0.00 0.00 0.00 0.00 36.38 31.54 1fr8 s VAL 382 CO -0.04 -1.08 1.50 -0.07 0.00 0.00 0.00 175.10 175.41 1fr8 h LEU 383 N 11.52 0.13 -7.00 3.92 3.38 -1.36 -3.48 115.31 122.42 1fr8 h LEU 383 Ca -0.24 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 57.78 1fr8 h LEU 383 Cb 1.06 -0.04 -0.23 0.00 0.09 0.00 0.00 40.66 41.54 1fr8 h LEU 383 CO 1.14 0.81 0.68 -0.70 0.09 0.00 0.00 178.44 180.46 1fr8 s GLU 384 N -3.44 0.44 -0.08 1.13 2.12 -1.04 -4.99 118.70 112.84 1fr8 s GLU 384 Ca -0.02 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.38 1fr8 s GLU 384 Cb 0.12 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.73 1fr8 s GLU 384 CO 0.79 -0.15 -0.09 0.08 -0.54 0.00 0.00 175.26 175.36 1fr8 s VAL 385 N -1.32 0.95 -0.13 3.70 1.01 -1.26 -0.96 120.40 122.38 1fr8 s VAL 385 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1fr8 s VAL 385 Cb -0.01 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1fr8 s VAL 385 CO -0.02 0.33 -0.12 -1.10 0.00 0.00 0.00 175.10 174.19 1fr8 s GLN 386 N 1.12 2.02 -1.23 2.72 -0.21 0.20 -4.99 119.66 119.29 1fr8 s GLN 386 Ca -0.06 -0.46 -0.12 0.00 0.02 0.00 0.00 55.36 54.74 1fr8 s GLN 386 Cb -0.14 -1.89 0.17 0.00 1.00 0.00 0.00 33.01 32.15 1fr8 s GLN 386 CO -0.01 -0.22 1.55 0.54 -2.12 0.00 0.00 175.29 175.03 1fr8 n ARG 387 N 4.73 3.45 -0.95 2.91 5.12 -1.26 -0.74 116.66 129.91 1fr8 n ARG 387 Ca -0.16 -3.78 -0.29 0.00 -1.93 0.00 0.00 57.85 51.69 1fr8 n ARG 387 Cb 0.50 -3.00 0.19 0.00 -1.16 0.00 0.00 32.46 28.99 1fr8 n ARG 387 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1fr8 s TYR 388 N 1.18 1.90 0.17 -1.55 1.51 -0.73 -4.20 117.35 115.62 1fr8 s TYR 388 Ca 0.42 1.21 -0.12 0.00 -1.01 0.00 0.00 57.07 57.57 1fr8 s TYR 388 Cb 0.00 -3.19 0.06 0.00 -0.11 0.00 0.00 41.96 38.73 1fr8 s TYR 388 CO 0.00 -3.03 1.71 -1.35 -1.11 0.00 0.00 175.55 171.78 1fr8 h PRO 389 N -2.01 0.85 -0.02 -1.71 0.11 -1.93 0.50 132.00 127.79 1fr8 h PRO 389 Ca -0.54 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.41 1fr8 h PRO 389 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1fr8 h PRO 389 CO 0.53 0.75 -0.24 1.28 -0.21 0.00 0.00 178.00 180.11 1fr8 n LEU 390 N -4.48 2.06 -3.71 2.35 4.77 -1.26 -2.39 117.00 114.35 1fr8 n LEU 390 Ca 0.03 -0.70 -0.01 0.00 -0.03 0.00 0.00 56.01 55.29 1fr8 n LEU 390 Cb 0.18 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1fr8 n LEU 390 CO 0.39 0.36 0.85 -0.72 -1.33 0.00 0.00 177.39 176.95 1fr8 s TYR 391 N -2.28 -0.09 -0.17 -1.77 -0.85 -1.22 -3.99 117.35 106.98 1fr8 s TYR 391 Ca 0.25 -0.14 -0.03 0.00 -0.52 0.00 0.00 57.07 56.63 1fr8 s TYR 391 Cb 0.19 0.60 -0.02 0.00 0.38 0.00 0.00 41.96 43.12 1fr8 s TYR 391 CO 0.45 -0.62 -0.05 0.99 -1.52 0.00 0.00 175.55 174.81 1fr8 s THR 392 N -2.94 3.67 -0.26 -3.49 2.01 0.41 -1.77 115.64 113.27 1fr8 s THR 392 Ca 0.13 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 1fr8 s THR 392 Cb 0.01 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.92 1fr8 s THR 392 CO -0.00 0.48 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.65 1fr8 s LYS 393 N 0.63 3.03 -0.30 4.92 2.20 0.08 -0.70 119.74 129.60 1fr8 s LYS 393 Ca -0.03 -0.87 -0.03 0.00 -0.36 0.00 0.00 55.97 54.68 1fr8 s LYS 393 Cb -0.15 -3.11 0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1fr8 s LYS 393 CO 0.02 -0.37 0.01 0.42 -0.36 0.00 0.00 175.35 175.07 1fr8 s ILE 394 N 1.41 3.18 -0.09 5.43 1.01 -0.60 -0.63 121.20 130.92 1fr8 s ILE 394 Ca 0.02 -1.21 -0.22 0.00 0.00 0.00 0.00 60.65 59.24 1fr8 s ILE 394 Cb -0.16 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1fr8 s ILE 394 CO -0.02 -0.04 0.67 -0.89 0.00 0.00 0.00 174.94 174.66 1fr8 s THR 395 N 1.31 5.06 0.03 2.92 2.01 -0.14 -0.68 115.64 126.16 1fr8 s THR 395 Ca -0.03 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.35 1fr8 s THR 395 Cb -0.19 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1fr8 s THR 395 CO -0.01 0.24 -0.08 0.68 -0.69 0.00 0.00 174.62 174.76 1fr8 s VAL 396 N 0.93 0.59 -0.32 3.82 -7.23 -0.25 -0.89 120.40 117.05 1fr8 s VAL 396 Ca 0.35 -0.84 -0.16 0.00 -1.81 0.00 0.00 61.98 59.53 1fr8 s VAL 396 Cb -0.17 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 1fr8 s VAL 396 CO 0.16 -0.19 0.39 -0.62 -0.31 0.00 0.00 175.10 174.53 1fr8 s ASP 397 N -1.12 6.22 -0.20 4.85 3.68 0.14 -1.59 116.67 128.64 1fr8 s ASP 397 Ca -0.05 -0.04 0.16 0.00 2.13 0.00 0.00 52.55 54.74 1fr8 s ASP 397 Cb -0.07 -2.21 0.59 0.00 -1.45 0.00 0.00 42.92 39.77 1fr8 s ASP 397 CO 0.00 -0.32 1.50 2.30 0.13 0.00 0.00 175.17 178.79 1fr8 n ILE 398 N 5.24 2.42 -4.00 4.11 -5.35 -1.26 -1.54 119.36 118.98 1fr8 n ILE 398 Ca -0.08 -1.84 0.00 0.00 -0.27 0.00 0.00 62.75 60.56 1fr8 n ILE 398 Cb 0.50 -0.27 -0.00 0.00 -1.74 0.00 0.00 39.64 38.13 1fr8 n ILE 398 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fr8 n GLY 399 N -0.34 -1.92 3.65 3.28 0.00 -1.26 -4.94 105.19 103.66 1fr8 n GLY 399 Ca 0.24 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 1fr8 n GLY 399 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fr8 s THR 400 N -0.05 2.01 0.64 2.61 -1.32 -1.26 -4.97 115.64 113.29 1fr8 s THR 400 Ca 0.00 -1.93 -0.11 0.00 -1.21 0.00 0.00 61.69 58.44 1fr8 s THR 400 Cb 0.00 -2.94 -0.03 0.00 -1.51 0.00 0.00 72.50 68.02 1fr8 s THR 400 CO 0.00 0.00 1.04 -2.84 -2.21 0.00 0.00 174.62 170.61 1fr8 s PRO 401 N -3.76 3.41 0.00 7.08 0.02 -1.26 -5.17 135.00 135.32 1fr8 s PRO 401 Ca 0.35 0.66 0.00 0.00 0.02 0.00 0.00 61.00 62.02 1fr8 s PRO 401 Cb 0.08 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1fr8 s PRO 401 CO 0.18 -0.67 0.00 -1.13 -0.33 0.00 0.00 177.00 175.05