#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1skx s THR 144 N 0.00 3.02 0.27 -5.08 -4.23 -1.26 -4.87 115.64 103.48 1skx s THR 144 Ca 0.00 0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 1skx s THR 144 Cb 0.00 -3.15 0.20 0.00 1.34 0.00 0.00 72.50 70.89 1skx s THR 144 CO 0.00 -0.43 1.87 -0.08 -0.54 0.00 0.00 174.62 175.44 1skx h GLU 145 N -1.02 1.03 -0.58 3.99 4.57 -2.05 -1.34 114.58 119.18 1skx h GLU 145 Ca -0.47 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 57.52 1skx h GLU 145 Cb 1.27 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1skx h GLU 145 CO 0.61 0.80 0.17 1.49 -1.18 0.00 0.00 179.01 180.90 1skx h GLU 146 N 1.02 0.91 0.00 1.92 4.81 -1.98 0.19 114.58 121.45 1skx h GLU 146 Ca 0.25 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1skx h GLU 146 Cb 0.11 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1skx h GLU 146 CO -0.03 0.82 -0.23 1.96 -0.73 0.00 0.00 179.01 180.80 1skx h GLN 147 N 0.83 0.00 0.08 1.92 4.20 -1.82 0.76 115.11 121.08 1skx h GLN 147 Ca 0.19 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.63 1skx h GLN 147 Cb 0.30 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.09 1skx h GLN 147 CO -0.00 0.23 -1.14 0.00 -0.67 0.00 0.00 178.83 177.24 1skx h ARG 148 N 0.00 0.45 0.00 1.46 3.08 -0.37 -2.77 114.38 116.22 1skx h ARG 148 Ca -0.00 -0.60 -0.02 0.00 0.07 0.00 0.00 59.98 59.42 1skx h ARG 148 Cb 0.46 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1skx h ARG 148 CO 0.03 1.24 -0.11 0.52 -1.07 0.00 0.00 179.97 180.58 1skx h MET 149 N 0.20 0.00 -0.08 0.04 2.86 -0.14 -2.52 114.93 115.29 1skx h MET 149 Ca -0.14 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.31 1skx h MET 149 Cb 1.82 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.49 1skx h MET 149 CO 0.20 0.11 -0.71 1.98 1.06 0.00 0.00 176.91 179.56 1skx h MET 150 N 0.00 0.62 -0.13 1.72 -1.53 -0.80 -2.09 114.93 112.73 1skx h MET 150 Ca -0.00 -0.56 -0.17 0.00 -3.44 0.00 0.00 59.70 55.53 1skx h MET 150 Cb 0.81 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.99 1skx h MET 150 CO 0.01 1.18 -0.62 0.82 0.14 0.00 0.00 176.91 178.45 1skx h ILE 151 N 0.26 1.35 -0.40 1.77 2.04 -1.45 -2.50 117.51 118.57 1skx h ILE 151 Ca -0.07 -1.93 -0.14 0.00 1.00 0.00 0.00 64.86 63.73 1skx h ILE 151 Cb 1.36 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 1skx h ILE 151 CO 0.14 0.59 -0.29 -0.09 0.00 0.00 0.00 178.15 178.51 1skx h ARG 152 N 0.34 0.87 -0.12 2.37 9.65 -1.47 0.44 114.38 126.45 1skx h ARG 152 Ca -0.01 -0.40 -0.10 0.00 -1.10 0.00 0.00 59.98 58.38 1skx h ARG 152 Cb 1.16 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1skx h ARG 152 CO 0.11 1.04 -0.35 1.49 2.80 0.00 0.00 179.97 185.06 1skx h GLU 153 N 0.74 0.25 0.03 0.20 4.57 -1.34 0.30 114.58 119.34 1skx h GLU 153 Ca 0.08 -0.11 -0.21 0.00 -1.18 0.00 0.00 59.36 57.94 1skx h GLU 153 Cb 0.84 -0.01 0.02 0.00 -0.16 0.00 0.00 28.75 29.44 1skx h GLU 153 CO 0.07 0.58 -0.85 -0.07 -1.18 0.00 0.00 179.01 177.57 1skx h LEU 154 N 0.22 0.69 -0.72 1.64 4.07 -1.05 -2.62 115.31 117.54 1skx h LEU 154 Ca 0.03 -0.78 -0.13 0.00 0.08 0.00 0.00 57.88 57.08 1skx h LEU 154 Cb 0.73 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1skx h LEU 154 CO 0.06 1.39 -0.42 0.24 -1.08 0.00 0.00 178.44 178.63 1skx h MET 155 N 0.08 0.49 -0.31 1.13 2.86 -0.03 -1.70 114.93 117.45 1skx h MET 155 Ca -0.12 -0.25 -0.13 0.00 -2.06 0.00 0.00 59.70 57.14 1skx h MET 155 Cb 1.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.20 1skx h MET 155 CO 0.17 0.82 -0.36 0.22 1.06 0.00 0.00 176.91 178.82 1skx h ASP 156 N 0.40 0.73 0.39 1.22 1.82 -1.00 -2.16 116.42 117.82 1skx h ASP 156 Ca 0.03 -0.31 -0.12 0.00 -0.39 0.00 0.00 57.03 56.24 1skx h ASP 156 Cb 0.90 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 1skx h ASP 156 CO 0.08 1.02 -0.52 0.00 -1.61 0.00 0.00 179.24 178.20 1skx h ALA 157 N 1.02 1.03 0.29 -0.78 0.00 -1.24 -2.86 119.26 116.73 1skx h ALA 157 Ca 0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1skx h ALA 157 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1skx h ALA 157 CO 0.08 0.66 -0.14 0.37 0.00 0.00 0.00 179.25 180.22 1skx h GLN 158 N 0.11 -0.38 0.00 0.00 5.75 -1.11 -2.57 115.11 116.91 1skx h GLN 158 Ca 0.00 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1skx h GLN 158 Cb 0.95 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.59 1skx h GLN 158 CO 0.07 -0.04 -0.12 0.00 -2.65 0.00 0.00 178.83 176.10 1skx h MET 159 N -0.85 0.00 0.02 1.69 -0.00 -1.46 0.11 114.93 114.46 1skx h MET 159 Ca -0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 59.70 59.45 1skx h MET 159 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.10 1skx h MET 159 CO 0.07 0.12 -0.99 0.87 -0.00 0.00 0.00 176.91 176.98 1skx h LYS 160 N 0.00 0.08 -0.06 -0.10 1.57 -1.53 -3.36 116.57 113.16 1skx h LYS 160 Ca -0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1skx h LYS 160 Cb 0.28 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1skx h LYS 160 CO 0.02 1.00 0.00 0.25 -0.57 0.00 0.00 179.45 180.14 1skx n THR 161 N -3.48 0.21 -3.74 -0.16 -2.24 -0.97 -4.91 114.28 98.99 1skx n THR 161 Ca -0.02 -0.61 -0.37 0.00 -2.27 0.00 0.00 64.05 60.78 1skx n THR 161 Cb 0.90 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 70.05 1skx n THR 161 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1skx s PHE 162 N -0.76 3.50 -1.28 4.78 5.99 0.36 -4.65 117.98 125.91 1skx s PHE 162 Ca 0.11 -2.17 -0.15 0.00 0.00 0.00 0.00 56.93 54.72 1skx s PHE 162 Cb 0.07 -3.09 0.11 0.00 0.00 0.00 0.00 43.02 40.12 1skx s PHE 162 CO 0.11 -0.94 1.70 -3.47 -0.00 0.00 0.00 175.22 172.62 1skx n ASP 163 N 4.68 4.94 0.16 6.13 2.03 -1.26 -4.83 116.55 128.40 1skx n ASP 163 Ca -0.05 -2.95 0.18 0.00 0.52 0.00 0.00 54.79 52.49 1skx n ASP 163 Cb 0.42 -1.65 0.68 0.00 -0.72 0.00 0.00 41.12 39.85 1skx n ASP 163 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1skx h THR 164 N 4.91 0.18 -0.08 5.18 1.35 -1.96 0.13 112.91 122.63 1skx h THR 164 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.27 1skx h THR 164 Cb 0.82 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1skx h THR 164 CO 1.44 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 177.06 1skx n THR 165 N -3.29 0.08 -3.97 6.82 -2.24 -1.26 -4.41 114.28 106.01 1skx n THR 165 Ca 0.05 -0.54 -0.28 0.00 -2.27 0.00 0.00 64.05 61.01 1skx n THR 165 Cb 0.66 1.36 -0.01 0.00 -2.10 0.00 0.00 70.33 70.25 1skx n THR 165 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1skx n PHE 166 N 1.21 -1.80 0.08 4.78 3.72 0.47 -4.04 117.46 121.89 1skx n PHE 166 Ca 0.13 0.79 -0.05 0.00 -0.05 0.00 0.00 57.45 58.27 1skx n PHE 166 Cb 0.53 -3.70 0.12 0.00 -0.94 0.00 0.00 39.48 35.50 1skx n PHE 166 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1skx h SER 167 N -1.81 0.27 -0.31 4.37 0.02 -1.94 -3.13 113.55 111.02 1skx h SER 167 Ca -0.61 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1skx h SER 167 Cb 1.37 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1skx h SER 167 CO 0.66 0.81 0.00 1.41 -1.14 0.00 0.00 176.83 178.56 1skx n HIS 168 N -3.88 0.40 -3.06 3.45 8.25 -1.26 -4.76 115.22 114.37 1skx n HIS 168 Ca -0.02 -0.20 -0.44 0.00 -0.26 0.00 0.00 57.72 56.79 1skx n HIS 168 Cb 0.61 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.68 1skx n HIS 168 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1skx s PHE 169 N -1.60 2.96 0.33 4.41 5.36 -1.19 -4.98 117.98 123.28 1skx s PHE 169 Ca 0.32 -0.93 -0.01 0.00 -0.96 0.00 0.00 56.93 55.35 1skx s PHE 169 Cb 0.17 -4.08 -0.01 0.00 -0.34 0.00 0.00 43.02 38.77 1skx s PHE 169 CO 0.25 -1.37 0.42 0.15 -1.46 0.00 0.00 175.22 173.21 1skx s LYS 170 N 2.88 1.83 -1.56 10.12 -0.14 -1.26 -4.91 119.74 126.70 1skx s LYS 170 Ca 0.15 -1.78 0.00 0.00 -1.36 0.00 0.00 55.97 52.97 1skx s LYS 170 Cb -0.22 0.41 0.00 0.00 -1.68 0.00 0.00 37.83 36.35 1skx s LYS 170 CO 0.06 -0.74 0.00 0.09 -0.76 0.00 0.00 175.35 174.00 1skx n ASN 171 N -1.34 -4.79 -4.87 2.83 5.03 -1.26 -4.99 115.26 105.87 1skx n ASN 171 Ca 0.02 0.30 -0.32 0.00 0.87 0.00 0.00 54.58 55.45 1skx n ASN 171 Cb 0.62 -3.69 -0.05 0.00 -1.02 0.00 0.00 39.78 35.63 1skx n ASN 171 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1skx s PHE 172 N -2.60 3.44 0.48 3.10 -0.12 -1.26 -5.07 117.98 115.95 1skx s PHE 172 Ca 0.00 0.88 -0.22 0.00 -0.05 0.00 0.00 56.93 57.53 1skx s PHE 172 Cb 0.00 -2.26 -0.07 0.00 -0.63 0.00 0.00 43.02 40.06 1skx s PHE 172 CO 0.00 0.29 1.17 1.03 -0.05 0.00 0.00 175.22 177.66 1skx s ARG 173 N -2.72 3.66 0.16 1.99 0.52 -1.26 -5.05 118.95 116.26 1skx s ARG 173 Ca 0.46 1.78 0.09 0.00 -0.52 0.00 0.00 55.73 57.54 1skx s ARG 173 Cb -0.12 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1skx s ARG 173 CO 0.21 -0.63 -0.19 -0.51 0.02 0.00 0.00 175.30 174.20 1skx s LEU 174 N -3.16 2.41 -1.12 2.53 2.01 -1.26 -4.00 118.68 116.09 1skx s LEU 174 Ca 0.65 -0.83 -0.23 0.00 0.01 0.00 0.00 54.13 53.73 1skx s LEU 174 Cb -0.29 -0.87 -0.07 0.00 0.01 0.00 0.00 46.19 44.97 1skx s LEU 174 CO 0.34 -0.00 1.93 -2.16 1.01 0.00 0.00 176.35 177.47 1skx s PRO 175 N -2.63 2.55 -0.19 1.29 0.04 -1.26 -4.91 135.00 129.89 1skx s PRO 175 Ca 0.15 -0.99 -0.34 0.00 0.04 0.00 0.00 61.00 59.86 1skx s PRO 175 Cb -0.07 -5.21 -0.11 0.00 0.04 0.00 0.00 34.50 29.15 1skx s PRO 175 CO 0.06 -3.79 2.01 0.41 0.04 0.00 0.00 177.00 175.73 1skx n GLY 176 N 6.04 1.09 3.73 0.56 0.00 -1.26 -5.08 105.19 110.27 1skx n GLY 176 Ca 0.44 0.88 -0.41 0.00 0.00 0.00 0.00 46.02 46.92 1skx n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1skx s VAL 177 N 5.55 4.55 -1.02 1.61 0.11 -1.26 -5.15 120.40 124.79 1skx s VAL 177 Ca 0.99 2.07 -0.05 0.00 -2.93 0.00 0.00 61.98 62.06 1skx s VAL 177 Cb -0.72 -4.32 0.06 0.00 -1.53 0.00 0.00 36.38 29.87 1skx s VAL 177 CO 0.50 0.29 2.62 1.17 -3.33 0.00 0.00 175.10 176.35 1skx n LYS 210 N 2.96 3.74 -4.08 1.54 4.81 -1.26 -5.30 118.16 120.57 1skx n LYS 210 Ca 0.03 -2.89 -0.20 0.00 -0.87 0.00 0.00 58.31 54.38 1skx n LYS 210 Cb 0.49 -2.47 -0.16 0.00 0.02 0.00 0.00 35.03 32.91 1skx n LYS 210 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1skx s VAL 211 N -1.07 0.48 0.25 3.15 1.01 -1.26 -3.27 120.40 119.70 1skx s VAL 211 Ca 0.58 -0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.29 1skx s VAL 211 Cb 0.25 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 36.01 1skx s VAL 211 CO -0.12 0.22 0.77 -0.55 0.00 0.00 0.00 175.10 175.41 1skx s SER 212 N 1.08 7.07 -0.12 3.32 0.15 0.20 -4.40 113.70 121.00 1skx s SER 212 Ca -0.09 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.05 1skx s SER 212 Cb -0.14 -2.44 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1skx s SER 212 CO -0.01 -0.02 -0.13 -0.22 1.20 0.00 0.00 173.24 174.07 1skx s LEU 213 N -2.12 1.57 -0.05 3.45 0.20 -0.89 -1.49 118.68 119.36 1skx s LEU 213 Ca 0.46 -0.41 0.04 0.00 0.69 0.00 0.00 54.13 54.91 1skx s LEU 213 Cb -0.16 -1.04 -0.03 0.00 -0.43 0.00 0.00 46.19 44.53 1skx s LEU 213 CO 0.21 -0.04 -0.15 -1.58 -0.29 0.00 0.00 176.35 174.50 1skx s GLN 214 N 1.31 2.50 -0.42 1.98 0.74 -0.47 0.06 119.66 125.36 1skx s GLN 214 Ca -0.00 -0.71 0.02 0.00 0.05 0.00 0.00 55.36 54.72 1skx s GLN 214 Cb -0.14 -2.37 0.14 0.00 1.10 0.00 0.00 33.01 31.74 1skx s GLN 214 CO -0.06 0.61 0.23 -0.51 -0.55 0.00 0.00 175.29 175.01 1skx s LEU 215 N -0.71 2.36 0.08 3.68 1.43 0.70 -1.15 118.68 125.08 1skx s LEU 215 Ca 0.11 -2.51 -0.31 0.00 -1.03 0.00 0.00 54.13 50.39 1skx s LEU 215 Cb -0.11 -0.91 -0.06 0.00 0.03 0.00 0.00 46.19 45.14 1skx s LEU 215 CO 0.01 -0.28 1.22 -0.13 0.23 0.00 0.00 176.35 177.40 1skx s ARG 216 N 0.53 4.43 0.28 1.70 0.52 -0.23 -2.13 118.95 124.04 1skx s ARG 216 Ca 0.17 1.82 -0.01 0.00 -0.52 0.00 0.00 55.73 57.19 1skx s ARG 216 Cb -0.24 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1skx s ARG 216 CO 0.00 -0.26 0.50 0.20 0.02 0.00 0.00 175.30 175.76 1skx s GLY 217 N 0.95 1.61 0.24 -3.53 0.00 0.17 -4.81 107.32 101.96 1skx s GLY 217 Ca 0.59 -0.80 -0.06 0.00 0.00 0.00 0.00 44.72 44.45 1skx s GLY 217 CO 0.30 -0.73 1.86 0.83 0.00 0.00 0.00 173.10 175.36 1skx h GLU 218 N 1.40 1.22 0.00 2.90 3.07 -1.96 -1.33 114.58 119.88 1skx h GLU 218 Ca -0.49 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.22 1skx h GLU 218 Cb 1.20 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1skx h GLU 218 CO 0.65 0.90 -0.03 0.38 -1.40 0.00 0.00 179.01 179.50 1skx h ASP 219 N 1.22 0.00 0.00 1.42 2.03 -2.03 -3.45 116.42 115.61 1skx h ASP 219 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1skx h ASP 219 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1skx h ASP 219 CO -0.05 0.03 0.00 0.61 -1.03 0.00 0.00 179.24 178.81 1skx n GLY 220 N -0.97 1.04 3.81 7.15 0.00 -0.50 -5.10 105.19 110.62 1skx n GLY 220 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1skx n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1skx s SER 221 N -1.43 5.65 -0.05 1.61 1.04 -1.26 -4.76 113.70 114.50 1skx s SER 221 Ca 0.00 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1skx s SER 221 Cb 0.00 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.62 1skx s SER 221 CO 0.00 -1.26 -0.03 -0.69 0.98 0.00 0.00 173.24 172.24 1skx s VAL 222 N -2.64 0.48 -0.25 5.02 1.01 -1.26 0.46 120.40 123.21 1skx s VAL 222 Ca 0.62 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1skx s VAL 222 Cb -0.15 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.67 1skx s VAL 222 CO 0.43 0.23 0.02 0.26 0.00 0.00 0.00 175.10 176.04 1skx s TRP 223 N 1.21 3.06 -0.01 5.22 0.52 -0.90 -4.95 118.94 123.08 1skx s TRP 223 Ca -0.06 -0.88 0.04 0.00 0.02 0.00 0.00 56.10 55.22 1skx s TRP 223 Cb -0.14 -2.18 -0.03 0.00 -1.15 0.00 0.00 33.47 29.97 1skx s TRP 223 CO -0.02 -0.53 -0.13 -0.80 0.02 0.00 0.00 176.95 175.50 1skx s ASN 224 N 1.51 4.18 -0.09 2.95 -0.87 -1.26 -0.21 114.94 121.14 1skx s ASN 224 Ca 0.04 -0.24 0.03 0.00 -1.57 0.00 0.00 52.86 51.13 1skx s ASN 224 Cb -0.16 -0.87 0.01 0.00 -0.02 0.00 0.00 41.25 40.21 1skx s ASN 224 CO 0.00 0.30 -0.19 -0.47 -2.57 0.00 0.00 177.10 174.17 1skx s TYR 225 N -0.88 2.16 -0.25 2.20 5.04 0.11 -4.97 117.35 120.76 1skx s TYR 225 Ca 0.14 -0.89 -0.02 0.00 -2.44 0.00 0.00 57.07 53.86 1skx s TYR 225 Cb -0.11 -1.48 0.02 0.00 0.35 0.00 0.00 41.96 40.74 1skx s TYR 225 CO 0.04 -0.39 -0.05 0.21 -1.34 0.00 0.00 175.55 174.02 1skx s LYS 226 N 0.54 2.88 0.85 4.97 2.36 -1.26 -2.10 119.74 127.99 1skx s LYS 226 Ca -0.16 -0.95 -0.12 0.00 -2.55 0.00 0.00 55.97 52.20 1skx s LYS 226 Cb -0.17 -3.02 0.11 0.00 -1.05 0.00 0.00 37.83 33.70 1skx s LYS 226 CO 0.06 -0.39 1.18 -1.25 1.55 0.00 0.00 175.35 176.49 1skx s PRO 227 N 1.35 1.38 0.00 4.03 0.04 -1.26 -5.09 135.00 135.44 1skx s PRO 227 Ca 0.01 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1skx s PRO 227 Cb -0.17 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1skx s PRO 227 CO -0.04 -2.39 0.00 -0.35 0.04 0.00 0.00 177.00 174.27 1skx n PRO 228 N -3.71 0.00 0.00 0.56 -0.04 -1.26 -5.07 135.00 125.48 1skx n PRO 228 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1skx n PRO 228 Cb 0.51 -0.25 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1skx n PRO 228 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1skx n ILE 236 N -0.01 0.00 -1.01 0.52 -5.35 -1.26 -5.03 119.36 107.23 1skx n ILE 236 Ca 0.00 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.49 1skx n ILE 236 Cb 0.00 0.58 0.33 0.00 -1.74 0.00 0.00 39.64 38.82 1skx n ILE 236 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1skx n PHE 237 N 0.00 2.06 0.22 4.28 3.01 -1.26 -4.55 117.46 121.22 1skx n PHE 237 Ca 0.00 -1.00 0.08 0.00 1.01 0.00 0.00 57.45 57.55 1skx n PHE 237 Cb 0.45 -0.57 0.46 0.00 -0.01 0.00 0.00 39.48 39.82 1skx n PHE 237 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1skx h SER 238 N 2.99 0.00 0.04 4.37 4.64 -2.01 -3.14 113.55 120.44 1skx h SER 238 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1skx h SER 238 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1skx h SER 238 CO 0.57 0.27 -0.62 0.18 -0.87 0.00 0.00 176.83 176.35 1skx n LEU 239 N -3.53 1.53 -0.05 5.97 4.77 -1.26 -4.14 117.00 120.28 1skx n LEU 239 Ca -0.01 -0.59 -0.10 0.00 -0.03 0.00 0.00 56.01 55.29 1skx n LEU 239 Cb 0.42 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1skx n LEU 239 CO 0.34 0.31 0.95 -0.07 -1.33 0.00 0.00 177.39 177.59 1skx h LEU 240 N 1.42 0.26 -0.13 2.23 3.38 -1.87 0.20 115.31 120.80 1skx h LEU 240 Ca 0.00 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1skx h LEU 240 Cb 0.64 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1skx h LEU 240 CO 0.00 0.20 -0.10 -0.65 0.09 0.00 0.00 178.44 177.98 1skx h PRO 241 N 0.29 -0.11 0.14 1.13 0.11 -1.79 0.18 132.00 131.95 1skx h PRO 241 Ca 0.08 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1skx h PRO 241 Cb -0.02 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1skx h PRO 241 CO -0.02 -0.07 -0.07 1.25 -0.21 0.00 0.00 178.00 178.88 1skx h HIS 242 N -0.12 -0.18 -0.36 0.65 -0.00 -1.66 -2.18 115.15 111.29 1skx h HIS 242 Ca 0.08 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.52 1skx h HIS 242 Cb 0.24 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 1skx h HIS 242 CO -0.23 -0.07 0.25 1.98 -0.00 0.00 0.00 177.93 179.86 1skx h MET 243 N -0.24 0.18 -0.03 5.26 -1.53 -0.74 0.95 114.93 118.79 1skx h MET 243 Ca -0.02 -0.01 -0.12 0.00 -3.44 0.00 0.00 59.70 56.11 1skx h MET 243 Cb 0.19 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.18 1skx h MET 243 CO 0.03 0.12 -0.53 0.00 0.14 0.00 0.00 176.91 176.67 1skx h ALA 244 N 1.81 1.06 0.00 0.39 0.00 -0.21 -1.58 119.26 120.73 1skx h ALA 244 Ca 0.16 -0.49 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 1skx h ALA 244 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1skx h ALA 244 CO -0.03 0.67 -0.92 -0.44 0.00 0.00 0.00 179.25 178.53 1skx h ASP 245 N 0.06 0.44 -0.37 0.00 3.32 -0.24 -2.50 116.42 117.13 1skx h ASP 245 Ca -0.00 -0.36 -0.10 0.00 0.02 0.00 0.00 57.03 56.59 1skx h ASP 245 Cb 0.96 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1skx h ASP 245 CO 0.07 1.16 -0.17 -0.03 -1.72 0.00 0.00 179.24 178.55 1skx h MET 246 N 0.19 0.77 0.05 3.56 4.05 -1.16 -2.41 114.93 119.99 1skx h MET 246 Ca -0.07 -0.33 0.00 0.00 -0.28 0.00 0.00 59.70 59.02 1skx h MET 246 Cb 1.56 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.33 1skx h MET 246 CO 0.15 0.95 -0.05 0.77 0.23 0.00 0.00 176.91 178.97 1skx h SER 247 N 0.57 -0.12 -0.97 1.39 0.02 -1.28 -0.05 113.55 113.10 1skx h SER 247 Ca 0.08 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1skx h SER 247 Cb 0.71 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 1skx h SER 247 CO 0.05 -0.07 0.64 0.74 -1.14 0.00 0.00 176.83 177.05 1skx h THR 248 N -0.11 1.19 -0.50 -2.27 2.02 -1.45 0.58 112.91 112.37 1skx h THR 248 Ca 0.00 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 1skx h THR 248 Cb 0.10 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.32 1skx h THR 248 CO -0.01 0.23 0.13 0.22 0.37 0.00 0.00 175.52 176.46 1skx h TYR 249 N 1.25 0.84 -0.36 3.16 3.20 -1.12 -0.89 116.97 123.06 1skx h TYR 249 Ca 0.38 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 1skx h TYR 249 Cb -0.04 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 1skx h TYR 249 CO -0.00 0.74 -0.21 0.52 -1.64 0.00 0.00 178.16 177.57 1skx h MET 250 N 0.69 0.77 -0.70 1.82 2.86 -0.27 -3.00 114.93 117.11 1skx h MET 250 Ca 0.16 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1skx h MET 250 Cb 0.32 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1skx h MET 250 CO 0.00 0.97 0.38 0.74 1.06 0.00 0.00 176.91 180.06 1skx h PHE 251 N 0.56 0.96 -0.50 -0.22 0.05 0.28 -1.40 116.94 116.67 1skx h PHE 251 Ca 0.08 -0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.86 1skx h PHE 251 Cb 0.76 -0.31 -0.03 0.00 2.00 0.00 0.00 35.95 38.38 1skx h PHE 251 CO 0.06 0.68 0.33 0.87 -0.18 0.00 0.00 178.31 180.08 1skx h LYS 252 N 0.96 0.61 -0.27 1.51 1.57 -1.11 -1.26 116.57 118.57 1skx h LYS 252 Ca 0.25 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.86 1skx h LYS 252 Cb 0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1skx h LYS 252 CO -0.04 0.40 -0.37 0.78 -0.57 0.00 0.00 179.45 179.65 1skx h GLY 253 N 0.63 0.68 1.36 3.86 0.00 -1.13 -2.38 103.07 106.09 1skx h GLY 253 Ca 0.19 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1skx h GLY 253 CO -0.05 0.60 -0.19 -2.22 0.00 0.00 0.00 176.54 174.69 1skx h ILE 254 N 0.52 1.27 -0.31 2.60 5.03 -0.68 -1.48 117.51 124.46 1skx h ILE 254 Ca 0.05 -1.27 -0.16 0.00 -0.12 0.00 0.00 64.86 63.36 1skx h ILE 254 Cb 0.88 1.17 -0.00 0.00 -3.03 0.00 0.00 36.82 35.84 1skx h ILE 254 CO 0.08 0.43 -0.41 0.40 -0.68 0.00 0.00 178.15 177.96 1skx h ILE 255 N 0.65 1.29 -0.02 -0.67 2.04 -1.18 -2.23 117.51 117.39 1skx h ILE 255 Ca 0.10 -1.60 -0.07 0.00 1.00 0.00 0.00 64.86 64.29 1skx h ILE 255 Cb 0.68 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1skx h ILE 255 CO 0.05 0.52 -0.34 0.28 0.00 0.00 0.00 178.15 178.66 1skx h SER 256 N 0.60 0.03 0.03 1.72 0.02 -1.35 -1.26 113.55 113.33 1skx h SER 256 Ca 0.04 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1skx h SER 256 Cb 1.01 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1skx h SER 256 CO 0.10 0.37 -0.01 0.15 -1.14 0.00 0.00 176.83 176.29 1skx h PHE 257 N 0.03 -0.03 -0.29 3.45 3.57 -1.04 -2.83 116.94 119.80 1skx h PHE 257 Ca 0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1skx h PHE 257 Cb 0.61 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1skx h PHE 257 CO 0.00 0.33 0.15 0.00 -2.23 0.00 0.00 178.31 176.56 1skx h ALA 258 N 0.56 0.37 0.00 2.41 0.00 -1.23 -3.02 119.26 118.35 1skx h ALA 258 Ca -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1skx h ALA 258 Cb 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1skx h ALA 258 CO 0.01 -0.08 -0.05 0.87 0.00 0.00 0.00 179.25 179.99 1skx h LYS 259 N 0.34 0.00 -0.17 0.00 1.57 -1.27 -2.12 116.57 114.92 1skx h LYS 259 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1skx h LYS 259 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1skx h LYS 259 CO -0.01 0.05 0.00 1.55 -0.57 0.00 0.00 179.45 180.47 1skx n VAL 260 N -3.38 0.22 -3.56 0.50 3.14 -1.07 -4.71 118.33 109.47 1skx n VAL 260 Ca -0.02 -0.42 -0.37 0.00 -2.96 0.00 0.00 64.34 60.57 1skx n VAL 260 Cb 0.19 0.60 -0.09 0.00 -1.06 0.00 0.00 33.84 33.49 1skx n VAL 260 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1skx s ILE 261 N -1.78 5.30 0.11 1.55 1.01 -0.80 -4.87 121.20 121.72 1skx s ILE 261 Ca 0.34 0.35 -0.27 0.00 0.00 0.00 0.00 60.65 61.07 1skx s ILE 261 Cb 0.19 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 1skx s ILE 261 CO 0.29 0.30 1.65 0.77 0.00 0.00 0.00 174.94 177.95 1skx h SER 262 N 7.54 -0.68 0.00 3.58 4.64 -1.88 -0.62 113.55 126.14 1skx h SER 262 Ca -0.37 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1skx h SER 262 Cb 1.17 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1skx h SER 262 CO 0.67 -0.34 0.30 1.88 -0.87 0.00 0.00 176.83 178.47 1skx h TYR 263 N -0.47 0.00 0.05 4.77 -1.99 -1.94 -0.76 116.97 116.62 1skx h TYR 263 Ca 0.02 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.43 1skx h TYR 263 Cb 0.47 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.17 1skx h TYR 263 CO -0.21 0.00 -1.75 0.34 -0.00 0.00 0.00 178.16 176.54 1skx n PHE 264 N -2.69 0.94 0.08 4.88 7.35 -0.52 -4.29 117.46 123.21 1skx n PHE 264 Ca -0.02 0.30 0.03 0.00 -0.76 0.00 0.00 57.45 57.01 1skx n PHE 264 Cb 0.34 -1.11 0.43 0.00 0.35 0.00 0.00 39.48 39.49 1skx n PHE 264 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1skx h ARG 265 N -0.53 0.35 -0.05 -4.13 3.08 0.18 -1.73 114.38 111.55 1skx h ARG 265 Ca -0.43 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1skx h ARG 265 Cb 1.65 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.64 1skx h ARG 265 CO -0.11 0.34 0.00 -0.25 -1.07 0.00 0.00 179.97 178.88 1skx n ASP 266 N -4.38 0.05 -4.74 7.04 8.00 -0.43 -4.73 116.55 117.36 1skx n ASP 266 Ca 0.01 -1.46 -0.32 0.00 0.71 0.00 0.00 54.79 53.72 1skx n ASP 266 Cb 0.17 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.17 1skx n ASP 266 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1skx s LEU 267 N -0.93 3.71 0.36 0.64 1.43 -0.65 -5.08 118.68 118.16 1skx s LEU 267 Ca 0.00 0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 52.83 1skx s LEU 267 Cb 0.00 -2.26 -0.11 0.00 0.03 0.00 0.00 46.19 43.85 1skx s LEU 267 CO 0.00 0.23 1.50 -2.16 0.23 0.00 0.00 176.35 176.16 1skx s PRO 268 N -1.96 4.11 0.35 1.29 0.04 -1.26 -4.73 135.00 132.84 1skx s PRO 268 Ca 0.24 2.57 0.16 0.00 0.04 0.00 0.00 61.00 64.02 1skx s PRO 268 Cb -0.12 -2.98 1.19 0.00 0.04 0.00 0.00 34.50 32.63 1skx s PRO 268 CO 0.16 -0.55 1.60 0.97 0.04 0.00 0.00 177.00 179.22 1skx h ILE 269 N 3.05 0.07 -0.93 0.56 6.09 -1.95 0.48 117.51 124.88 1skx h ILE 269 Ca -0.50 -0.02 -0.00 0.00 -1.37 0.00 0.00 64.86 62.97 1skx h ILE 269 Cb 1.24 -0.00 -0.05 0.00 0.47 0.00 0.00 36.82 38.48 1skx h ILE 269 CO 0.67 0.01 0.57 -0.33 -3.07 0.00 0.00 178.15 176.00 1skx h GLU 270 N 0.06 1.25 0.00 2.19 3.07 -2.00 -1.64 114.58 117.52 1skx h GLU 270 Ca 0.78 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.36 59.42 1skx h GLU 270 Cb 1.96 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 29.58 1skx h GLU 270 CO -0.76 0.86 -0.56 -0.44 -1.40 0.00 0.00 179.01 176.71 1skx h ASP 271 N 1.27 0.00 -0.38 1.42 3.45 -0.40 -1.76 116.42 120.02 1skx h ASP 271 Ca 0.33 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.68 1skx h ASP 271 Cb -0.08 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1skx h ASP 271 CO -0.07 0.56 -0.22 1.56 -1.57 0.00 0.00 179.24 179.51 1skx h GLN 272 N 0.00 0.83 -0.14 3.56 4.20 -0.78 -1.72 115.11 121.06 1skx h GLN 272 Ca -0.01 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.28 1skx h GLN 272 Cb 1.17 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 1skx h GLN 272 CO 0.07 1.01 -0.09 0.82 -0.67 0.00 0.00 178.83 179.97 1skx h ILE 273 N 0.63 1.33 -0.86 2.54 2.04 -1.24 -1.02 117.51 120.92 1skx h ILE 273 Ca 0.08 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1skx h ILE 273 Cb 0.78 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1skx h ILE 273 CO 0.06 0.34 0.53 0.28 0.00 0.00 0.00 178.15 179.36 1skx h SER 274 N -0.03 1.03 -0.08 1.72 0.02 -1.32 -1.93 113.55 112.95 1skx h SER 274 Ca 0.03 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 1skx h SER 274 Cb 0.58 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1skx h SER 274 CO 0.03 0.79 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.13 1skx h LEU 275 N 1.19 0.41 -1.15 5.07 3.38 -1.31 -3.04 115.31 119.87 1skx h LEU 275 Ca 0.31 -0.62 0.05 0.00 0.09 0.00 0.00 57.88 57.71 1skx h LEU 275 Cb -0.06 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1skx h LEU 275 CO -0.06 0.96 0.58 -0.07 0.09 0.00 0.00 178.44 179.95 1skx h LEU 276 N -0.12 0.93 -0.92 1.67 3.38 -1.04 -0.93 115.31 118.29 1skx h LEU 276 Ca -0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1skx h LEU 276 Cb 0.94 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1skx h LEU 276 CO 0.06 0.62 -0.54 0.11 0.09 0.00 0.00 178.44 178.79 1skx h LYS 277 N 1.07 0.00 0.19 1.13 1.57 -1.39 0.12 116.57 119.26 1skx h LYS 277 Ca 0.37 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.84 1skx h LYS 277 Cb 0.10 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.43 1skx h LYS 277 CO -0.12 0.54 -1.39 0.78 -0.57 0.00 0.00 179.45 178.68 1skx h GLY 278 N 1.63 0.47 0.80 3.86 0.00 -1.25 -3.37 103.07 105.20 1skx h GLY 278 Ca -0.01 -1.19 -0.18 0.00 0.00 0.00 0.00 47.33 45.95 1skx h GLY 278 CO 0.07 1.04 -1.57 0.00 0.00 0.00 0.00 176.54 176.08 1skx n ALA 279 N -2.64 1.95 -0.08 3.60 0.00 -0.42 -4.63 120.51 118.29 1skx n ALA 279 Ca -0.13 -0.63 -0.02 0.00 0.00 0.00 0.00 53.44 52.66 1skx n ALA 279 Cb 1.07 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 1skx n ALA 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1skx n ALA 280 N -2.43 -0.13 -0.09 0.00 0.00 0.43 0.07 120.51 118.37 1skx n ALA 280 Ca -0.12 0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 1skx n ALA 280 Cb 0.86 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.40 1skx n ALA 280 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1skx h PHE 281 N 0.00 0.17 -0.63 0.00 3.57 -1.84 -2.64 116.94 115.58 1skx h PHE 281 Ca 0.03 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1skx h PHE 281 Cb 0.08 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 1skx h PHE 281 CO -0.43 0.07 0.30 0.93 -2.23 0.00 0.00 178.31 176.95 1skx h GLU 282 N 0.23 0.52 -0.17 1.11 5.08 -0.64 -1.44 114.58 119.27 1skx h GLU 282 Ca 0.14 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1skx h GLU 282 Cb 0.12 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1skx h GLU 282 CO -0.16 0.34 -0.26 -0.07 -1.00 0.00 0.00 179.01 177.86 1skx h LEU 283 N 0.53 0.31 -0.64 1.33 3.38 -1.09 -1.20 115.31 117.94 1skx h LEU 283 Ca 0.30 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 1skx h LEU 283 Cb 0.30 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1skx h LEU 283 CO -0.24 0.58 -0.10 0.00 0.09 0.00 0.00 178.44 178.76 1skx h GLN 285 N 0.85 0.68 -0.26 0.00 1.08 -0.97 0.51 115.11 117.00 1skx h GLN 285 Ca 0.14 -0.31 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 1skx h GLN 285 Cb 0.65 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1skx h GLN 285 CO 0.04 0.91 0.05 -0.07 -0.95 0.00 0.00 178.83 178.81 1skx h LEU 286 N 0.45 0.34 0.08 1.46 3.38 -1.14 -1.53 115.31 118.35 1skx h LEU 286 Ca 0.07 -0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 1skx h LEU 286 Cb 0.72 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 41.40 1skx h LEU 286 CO 0.05 0.37 -1.08 0.03 0.09 0.00 0.00 178.44 177.90 1skx h ARG 287 N 0.38 0.59 0.00 1.13 3.08 -1.01 -3.22 114.38 115.32 1skx h ARG 287 Ca 0.09 -0.74 -0.02 0.00 0.07 0.00 0.00 59.98 59.38 1skx h ARG 287 Cb 0.17 0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1skx h ARG 287 CO -0.00 1.32 -0.09 0.74 -1.07 0.00 0.00 179.97 180.88 1skx h PHE 288 N 0.19 0.00 -0.01 3.04 -1.00 -0.51 -2.45 116.94 116.21 1skx h PHE 288 Ca -0.16 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.53 1skx h PHE 288 Cb 1.77 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.31 1skx h PHE 288 CO 0.12 0.09 -0.42 -0.97 -1.61 0.00 0.00 178.31 175.52 1skx h ASN 289 N 0.00 0.02 0.91 2.17 -0.73 -1.30 -2.48 115.58 114.18 1skx h ASN 289 Ca -0.00 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 1skx h ASN 289 Cb 0.24 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.81 1skx h ASN 289 CO 0.01 0.45 -0.16 0.71 -0.37 0.00 0.00 177.43 178.07 1skx h THR 290 N 0.02 0.41 -0.50 -3.57 1.35 -1.54 -2.47 112.91 106.62 1skx h THR 290 Ca -0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1skx h THR 290 Cb 0.76 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1skx h THR 290 CO 0.06 0.16 0.00 1.33 -0.25 0.00 0.00 175.52 176.81 1skx n VAL 291 N -3.33 1.49 -3.24 6.82 0.24 -1.01 -4.96 118.33 114.34 1skx n VAL 291 Ca 0.00 -1.21 -0.38 0.00 -2.04 0.00 0.00 64.34 60.71 1skx n VAL 291 Cb 0.39 0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.95 1skx n VAL 291 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1skx s PHE 292 N -1.58 3.56 -0.55 6.34 5.36 -0.93 -0.81 117.98 129.36 1skx s PHE 292 Ca 0.40 1.03 -0.08 0.00 -0.96 0.00 0.00 56.93 57.32 1skx s PHE 292 Cb 0.25 -2.62 0.14 0.00 -0.34 0.00 0.00 43.02 40.45 1skx s PHE 292 CO 0.21 0.19 0.41 1.21 -1.46 0.00 0.00 175.22 175.77 1skx s ASN 293 N 0.50 5.69 0.52 6.13 3.04 0.11 -4.93 114.94 125.99 1skx s ASN 293 Ca 0.30 -2.26 0.18 0.00 0.04 0.00 0.00 52.86 51.12 1skx s ASN 293 Cb -0.16 -1.98 1.28 0.00 -1.54 0.00 0.00 41.25 38.85 1skx s ASN 293 CO 0.13 -0.59 2.12 0.00 -3.04 0.00 0.00 177.10 175.72 1skx h ALA 294 N 7.98 2.09 0.94 1.71 0.00 -1.95 0.72 119.26 130.76 1skx h ALA 294 Ca -0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1skx h ALA 294 Cb 1.04 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1skx h ALA 294 CO 0.80 -0.12 -0.45 0.93 0.00 0.00 0.00 179.25 180.40 1skx h GLU 295 N 0.01 -1.22 -0.02 0.00 4.39 -1.96 -3.13 114.58 112.67 1skx h GLU 295 Ca 0.05 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1skx h GLU 295 Cb 0.20 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1skx h GLU 295 CO -0.00 -0.81 -0.01 0.25 -1.16 0.00 0.00 179.01 177.28 1skx n THR 296 N -5.62 0.00 -3.59 1.13 -2.24 -1.12 -4.96 114.28 97.88 1skx n THR 296 Ca -0.16 -0.26 -0.20 0.00 -2.27 0.00 0.00 64.05 61.16 1skx n THR 296 Cb 0.50 0.57 0.06 0.00 -2.10 0.00 0.00 70.33 69.36 1skx n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1skx n GLY 297 N 1.20 -0.36 3.00 3.38 0.00 0.25 -4.78 105.19 107.87 1skx n GLY 297 Ca 0.18 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 1skx n GLY 297 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1skx s THR 298 N -3.47 0.09 -0.54 2.61 -4.23 -0.87 -3.34 115.64 105.89 1skx s THR 298 Ca 0.11 -0.75 -0.18 0.00 -1.18 0.00 0.00 61.69 59.68 1skx s THR 298 Cb -0.05 -0.27 0.08 0.00 1.34 0.00 0.00 72.50 73.60 1skx s THR 298 CO 0.77 -0.41 0.63 0.26 -0.54 0.00 0.00 174.62 175.32 1skx s TRP 299 N -1.27 3.06 -0.89 3.99 0.51 -0.41 0.04 118.94 123.97 1skx s TRP 299 Ca -0.14 -0.81 -0.23 0.00 -2.12 0.00 0.00 56.10 52.80 1skx s TRP 299 Cb -0.08 -3.72 0.07 0.00 -0.81 0.00 0.00 33.47 28.92 1skx s TRP 299 CO -0.00 -1.12 1.27 -1.21 -0.51 0.00 0.00 176.95 175.38 1skx s GLU 300 N 2.48 3.45 -1.07 4.98 2.02 0.01 -2.14 118.70 128.42 1skx s GLU 300 Ca 0.12 -1.06 -0.03 0.00 0.02 0.00 0.00 54.97 54.01 1skx s GLU 300 Cb -0.23 -4.86 0.30 0.00 0.10 0.00 0.00 34.13 29.45 1skx s GLU 300 CO 0.08 -2.04 1.67 0.00 0.02 0.00 0.00 175.26 174.99 1skx n GLY 302 N 0.82 2.85 0.20 0.00 0.00 -1.26 -2.51 105.19 105.30 1skx n GLY 302 Ca 0.36 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1skx n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1skx h ARG 303 N 0.00 0.00 -6.86 1.61 2.47 -1.87 -3.45 114.38 106.27 1skx h ARG 303 Ca 0.00 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 58.23 1skx h ARG 303 Cb 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.35 1skx h ARG 303 CO 0.00 0.32 0.08 -0.51 0.56 0.00 0.00 179.97 180.41 1skx s LEU 304 N -7.08 3.71 -0.17 3.04 1.43 -1.04 -1.07 118.68 117.49 1skx s LEU 304 Ca -0.00 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 53.90 1skx s LEU 304 Cb 0.11 -3.85 0.05 0.00 0.03 0.00 0.00 46.19 42.54 1skx s LEU 304 CO 0.67 -0.51 0.43 -0.55 0.23 0.00 0.00 176.35 176.63 1skx s SER 305 N -3.88 -0.52 -0.34 2.29 0.15 -0.30 -1.79 113.70 109.31 1skx s SER 305 Ca 0.47 0.92 0.02 0.00 0.70 0.00 0.00 55.95 58.07 1skx s SER 305 Cb -0.10 0.85 0.09 0.00 -1.71 0.00 0.00 66.02 65.15 1skx s SER 305 CO 0.41 -0.18 0.05 -0.31 1.20 0.00 0.00 173.24 174.41 1skx s TYR 306 N 1.01 3.62 0.26 3.44 1.51 -0.91 -1.37 117.35 124.92 1skx s TYR 306 Ca -0.06 -2.71 0.07 0.00 -1.01 0.00 0.00 57.07 53.35 1skx s TYR 306 Cb -0.06 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 38.97 1skx s TYR 306 CO -0.09 -0.93 0.26 0.00 -1.11 0.00 0.00 175.55 173.68 1skx s LEU 308 N -3.91 4.23 -0.07 0.00 2.01 -1.21 0.58 118.68 120.31 1skx s LEU 308 Ca 0.35 0.03 0.19 0.00 0.01 0.00 0.00 54.13 54.71 1skx s LEU 308 Cb -0.08 -2.78 -0.29 0.00 0.01 0.00 0.00 46.19 43.05 1skx s LEU 308 CO 0.26 -0.04 0.35 -0.62 1.01 0.00 0.00 176.35 177.31 1skx n GLU 309 N -1.22 0.70 -0.24 1.70 -0.58 -1.20 -4.78 120.64 115.01 1skx n GLU 309 Ca -0.09 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1skx n GLU 309 Cb 0.57 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1skx n GLU 309 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1skx n LEU 318 N -2.33 0.00 0.00 -4.62 0.00 -1.26 -5.07 117.00 103.73 1skx n LEU 318 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.90 1skx n LEU 318 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.10 1skx n LEU 318 CO 0.42 0.00 0.00 -0.11 0.00 0.00 0.00 177.39 177.70 1skx n LEU 319 N 0.00 0.41 -0.01 -1.96 0.00 -1.26 -4.77 117.00 109.41 1skx n LEU 319 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 56.01 56.16 1skx n LEU 319 Cb 0.00 -0.64 0.82 0.00 0.00 0.00 0.00 43.42 43.60 1skx n LEU 319 CO 0.00 -0.21 1.05 0.18 0.00 0.00 0.00 177.39 178.40 1skx n LEU 320 N 0.00 0.02 -4.65 -1.96 7.99 -1.26 -4.27 117.00 112.88 1skx n LEU 320 Ca 0.00 0.17 -0.40 0.00 -0.01 0.00 0.00 56.01 55.77 1skx n LEU 320 Cb 0.01 -0.18 -0.06 0.00 -0.11 0.00 0.00 43.42 43.08 1skx n LEU 320 CO 0.00 0.00 0.40 -0.70 -1.51 0.00 0.00 177.39 175.59 1skx s GLU 321 N -2.37 4.17 0.47 3.23 2.56 -1.26 -4.95 118.70 120.55 1skx s GLU 321 Ca 0.35 0.62 0.23 0.00 0.00 0.00 0.00 54.97 56.18 1skx s GLU 321 Cb 0.21 -3.61 1.26 0.00 2.00 0.00 0.00 34.13 33.99 1skx s GLU 321 CO 0.43 -0.32 1.88 -1.35 -0.56 0.00 0.00 175.26 175.33 1skx h PRO 322 N 7.64 0.22 0.57 4.30 0.11 -1.99 0.15 132.00 143.01 1skx h PRO 322 Ca -0.29 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 1skx h PRO 322 Cb 1.13 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1skx h PRO 322 CO 0.78 0.14 -0.28 1.98 -0.21 0.00 0.00 178.00 180.42 1skx h MET 323 N 0.22 -0.74 -0.40 1.05 4.05 -1.95 -1.69 114.93 115.47 1skx h MET 323 Ca 0.44 0.05 -0.13 0.00 -0.28 0.00 0.00 59.70 59.79 1skx h MET 323 Cb 1.37 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 32.32 1skx h MET 323 CO -0.10 -0.44 -0.26 -0.07 0.23 0.00 0.00 176.91 176.27 1skx h LEU 324 N -0.97 0.85 -1.11 3.39 -0.00 -1.73 -2.60 115.31 113.15 1skx h LEU 324 Ca -0.08 -0.33 -0.04 0.00 -0.00 0.00 0.00 57.88 57.43 1skx h LEU 324 Cb 0.65 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.05 1skx h LEU 324 CO 0.13 1.06 0.16 0.50 -0.00 0.00 0.00 178.44 180.29 1skx h LYS 325 N 0.71 0.79 0.05 1.13 3.64 -1.05 -1.23 116.57 120.61 1skx h LYS 325 Ca 0.09 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1skx h LYS 325 Cb 0.79 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1skx h LYS 325 CO 0.07 0.69 -0.02 0.35 -2.27 0.00 0.00 179.45 178.27 1skx h PHE 326 N 0.77 -0.06 -0.76 1.91 3.57 -1.06 -0.72 116.94 120.59 1skx h PHE 326 Ca 0.18 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1skx h PHE 326 Cb 0.24 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1skx h PHE 326 CO 0.01 0.07 0.45 0.45 -2.23 0.00 0.00 178.31 177.06 1skx h HIS 327 N -0.18 1.01 -0.18 0.41 3.86 -1.17 -0.46 115.15 118.43 1skx h HIS 327 Ca -0.01 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.06 1skx h HIS 327 Cb 0.16 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1skx h HIS 327 CO -0.04 0.68 -0.44 1.88 0.86 0.00 0.00 177.93 180.88 1skx h TYR 328 N 1.05 0.79 -0.32 2.45 -1.99 -1.09 -2.21 116.97 115.66 1skx h TYR 328 Ca 0.27 -0.30 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 1skx h TYR 328 Cb -0.03 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 1skx h TYR 328 CO 0.00 1.07 0.06 0.52 -0.00 0.00 0.00 178.16 179.81 1skx h MET 329 N 0.29 0.53 -0.47 4.88 2.86 -0.99 -1.86 114.93 120.16 1skx h MET 329 Ca -0.00 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1skx h MET 329 Cb 1.05 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1skx h MET 329 CO 0.10 0.61 -0.00 1.25 1.06 0.00 0.00 176.91 179.92 1skx h LEU 330 N 0.36 0.75 -0.67 1.22 5.85 -1.14 -2.82 115.31 118.85 1skx h LEU 330 Ca 0.10 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1skx h LEU 330 Cb 0.33 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1skx h LEU 330 CO 0.00 0.82 0.05 0.50 -0.34 0.00 0.00 178.44 179.48 1skx h LYS 331 N 0.73 1.08 -0.17 1.25 1.63 -1.26 -2.81 116.57 117.03 1skx h LYS 331 Ca 0.14 -0.31 0.04 0.00 -0.85 0.00 0.00 60.65 59.67 1skx h LYS 331 Cb 0.45 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1skx h LYS 331 CO 0.02 1.02 0.12 -0.22 -3.45 0.00 0.00 179.45 176.94 1skx h LYS 332 N 1.00 0.05 0.00 1.90 1.63 -1.08 -0.84 116.57 119.23 1skx h LYS 332 Ca 0.19 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1skx h LYS 332 Cb 0.50 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1skx h LYS 332 CO 0.02 0.03 0.00 -0.07 -3.45 0.00 0.00 179.45 175.99 1skx h LEU 333 N 0.05 0.00 -3.47 5.20 3.38 -1.43 -3.47 115.31 115.57 1skx h LEU 333 Ca 0.08 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.64 1skx h LEU 333 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1skx h LEU 333 CO -0.01 0.00 -0.88 0.00 0.09 0.00 0.00 178.44 177.65 1skx n GLN 334 N -2.68 -1.29 -2.57 1.13 6.02 -0.32 -4.96 117.38 112.71 1skx n GLN 334 Ca 0.00 0.76 -0.28 0.00 -0.01 0.00 0.00 57.00 57.47 1skx n GLN 334 Cb 0.21 -3.13 -0.00 0.00 1.02 0.00 0.00 30.24 28.33 1skx n GLN 334 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1skx s LEU 335 N -5.31 3.61 0.68 1.08 1.43 -1.26 -5.09 118.68 113.82 1skx s LEU 335 Ca 0.12 1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 54.19 1skx s LEU 335 Cb -0.06 -3.98 0.05 0.00 0.03 0.00 0.00 46.19 42.23 1skx s LEU 335 CO 0.88 -0.59 0.99 -1.00 0.23 0.00 0.00 176.35 176.85 1skx s HIS 336 N -2.74 2.93 0.19 0.29 3.76 -1.26 -4.94 115.29 113.53 1skx s HIS 336 Ca 0.49 0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 55.70 1skx s HIS 336 Cb -0.10 -3.12 0.11 0.00 1.11 0.00 0.00 32.58 30.58 1skx s HIS 336 CO 0.44 -1.32 1.86 0.93 -0.85 0.00 0.00 174.74 175.80 1skx h GLU 337 N -0.51 0.86 -0.90 1.40 4.39 -2.00 -2.40 114.58 115.42 1skx h GLU 337 Ca -0.44 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.31 1skx h GLU 337 Cb 1.31 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 29.70 1skx h GLU 337 CO 0.60 0.57 0.58 0.93 -1.16 0.00 0.00 179.01 180.53 1skx h GLU 338 N 0.88 0.84 0.00 2.33 3.07 -1.97 -1.30 114.58 118.42 1skx h GLU 338 Ca 0.24 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 1skx h GLU 338 Cb -0.09 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.62 1skx h GLU 338 CO -0.05 0.56 -0.39 0.93 -1.40 0.00 0.00 179.01 178.66 1skx h GLU 339 N 0.87 0.00 0.01 2.33 5.08 -1.82 -2.62 114.58 118.43 1skx h GLU 339 Ca 0.42 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.70 1skx h GLU 339 Cb 0.45 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1skx h GLU 339 CO -0.19 0.39 -0.33 1.88 -1.00 0.00 0.00 179.01 179.76 1skx h TYR 340 N 0.00 0.32 -0.04 4.33 -1.99 -0.89 -2.82 116.97 115.88 1skx h TYR 340 Ca -0.00 -0.18 -0.04 0.00 2.00 0.00 0.00 58.73 60.50 1skx h TYR 340 Cb 0.93 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 1skx h TYR 340 CO 0.00 1.00 -0.17 -0.39 -0.00 0.00 0.00 178.16 178.60 1skx h VAL 341 N -0.46 1.15 -0.14 -2.88 -1.51 -1.41 -1.15 116.25 109.85 1skx h VAL 341 Ca -0.04 -0.69 -0.14 0.00 -1.23 0.00 0.00 66.70 64.59 1skx h VAL 341 Cb 1.10 1.31 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 1skx h VAL 341 CO 0.06 0.20 -0.53 -0.07 -1.23 0.00 0.00 177.57 176.01 1skx h LEU 342 N 0.06 0.43 -1.00 4.19 3.38 -1.53 -0.89 115.31 119.95 1skx h LEU 342 Ca 0.01 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1skx h LEU 342 Cb 0.35 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1skx h LEU 342 CO 0.02 0.88 -0.20 0.24 0.09 0.00 0.00 178.44 179.47 1skx h MET 343 N 0.31 0.48 -0.30 1.13 2.86 -0.98 -1.12 114.93 117.31 1skx h MET 343 Ca 0.01 -0.16 -0.15 0.00 -2.06 0.00 0.00 59.70 57.33 1skx h MET 343 Cb 1.03 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1skx h MET 343 CO 0.09 0.66 -0.43 1.96 1.06 0.00 0.00 176.91 180.25 1skx h GLN 344 N 0.43 0.76 0.53 1.72 4.20 -0.93 -2.20 115.11 119.63 1skx h GLN 344 Ca 0.07 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.34 1skx h GLN 344 Cb 0.60 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.40 1skx h GLN 344 CO 0.04 1.04 -0.26 0.00 -0.67 0.00 0.00 178.83 178.99 1skx h ALA 345 N 0.90 -0.71 -0.63 3.87 0.00 -0.67 0.66 119.26 122.67 1skx h ALA 345 Ca 0.04 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1skx h ALA 345 Cb 0.99 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1skx h ALA 345 CO 0.09 -0.82 0.15 0.82 0.00 0.00 0.00 179.25 179.49 1skx h ILE 346 N -0.87 0.64 -0.26 0.00 2.04 -1.25 0.84 117.51 118.64 1skx h ILE 346 Ca -0.07 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1skx h ILE 346 Cb 0.61 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1skx h ILE 346 CO 0.12 0.05 0.12 -1.28 0.00 0.00 0.00 178.15 177.16 1skx h SER 347 N 0.28 0.35 -0.70 1.72 0.87 -1.29 -3.14 113.55 111.64 1skx h SER 347 Ca 0.33 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1skx h SER 347 Cb 0.50 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1skx h SER 347 CO -0.41 0.40 0.24 0.25 -0.53 0.00 0.00 176.83 176.78 1skx h LEU 348 N 0.28 1.00 -5.94 2.23 5.85 -0.08 -3.23 115.31 115.42 1skx h LEU 348 Ca 0.09 -0.20 -0.78 0.00 0.84 0.00 0.00 57.88 57.83 1skx h LEU 348 Cb 0.15 -0.26 -0.23 0.00 0.37 0.00 0.00 40.66 40.69 1skx h LEU 348 CO -0.01 0.93 1.39 0.49 -0.34 0.00 0.00 178.44 180.91 1skx n PHE 349 N -4.32 2.70 -3.41 1.25 3.01 0.22 -4.75 117.46 112.16 1skx n PHE 349 Ca 0.05 -2.59 -0.39 0.00 1.01 0.00 0.00 57.45 55.52 1skx n PHE 349 Cb 0.21 -1.38 -0.09 0.00 -0.01 0.00 0.00 39.48 38.21 1skx n PHE 349 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1skx s SER 350 N -0.80 6.21 0.53 4.37 0.01 -1.22 -4.27 113.70 118.53 1skx s SER 350 Ca 0.45 0.12 0.33 0.00 1.31 0.00 0.00 55.95 58.16 1skx s SER 350 Cb 0.21 -2.20 1.37 0.00 0.21 0.00 0.00 66.02 65.61 1skx s SER 350 CO -0.14 -0.22 1.98 1.55 0.41 0.00 0.00 173.24 176.81 1skx h PRO 351 N 8.27 0.00 -0.78 12.44 0.13 -1.86 -3.13 132.00 147.08 1skx h PRO 351 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1skx h PRO 351 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1skx h PRO 351 CO 0.65 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 1skx n ASP 352 N -3.03 2.97 -4.71 1.44 3.85 -1.26 -4.78 116.55 111.02 1skx n ASP 352 Ca 0.01 -2.38 -0.42 0.00 -0.71 0.00 0.00 54.79 51.29 1skx n ASP 352 Cb 0.29 -0.55 -0.03 0.00 -1.35 0.00 0.00 41.12 39.48 1skx n ASP 352 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1skx s ARG 353 N -1.75 4.56 -0.52 0.11 1.81 -1.19 -4.94 118.95 117.04 1skx s ARG 353 Ca 0.24 1.46 -0.26 0.00 -1.72 0.00 0.00 55.73 55.45 1skx s ARG 353 Cb 0.18 -3.44 -0.06 0.00 -0.45 0.00 0.00 34.95 31.18 1skx s ARG 353 CO 0.07 -0.04 2.28 -1.25 -0.68 0.00 0.00 175.30 175.69 1skx s PRO 354 N 0.90 2.22 0.00 3.54 0.04 -1.26 -2.23 135.00 138.20 1skx s PRO 354 Ca 0.52 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1skx s PRO 354 Cb -0.22 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.78 1skx s PRO 354 CO 0.28 -3.15 0.00 0.41 0.04 0.00 0.00 177.00 174.58 1skx n GLY 355 N 5.93 0.93 3.76 0.56 0.00 -1.26 -5.01 105.19 110.10 1skx n GLY 355 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 1skx n GLY 355 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1skx s VAL 356 N -0.56 2.74 -0.22 1.61 1.01 -0.95 -4.86 120.40 119.16 1skx s VAL 356 Ca 0.00 0.70 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 1skx s VAL 356 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 1skx s VAL 356 CO 0.00 0.15 -0.33 0.18 0.00 0.00 0.00 175.10 175.10 1skx n LEU 357 N 1.32 1.82 -1.99 3.92 4.77 -1.26 -4.54 117.00 121.04 1skx n LEU 357 Ca 0.02 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1skx n LEU 357 Cb 0.41 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 1skx n LEU 357 CO 0.59 0.24 1.48 0.00 -1.33 0.00 0.00 177.39 178.37 1skx n GLN 358 N -4.22 1.88 0.20 3.23 1.13 -1.26 -4.57 117.38 113.76 1skx n GLN 358 Ca -0.37 -1.08 0.14 0.00 -1.94 0.00 0.00 57.00 53.75 1skx n GLN 358 Cb 0.72 -1.82 0.72 0.00 0.11 0.00 0.00 30.24 29.97 1skx n GLN 358 CO 0.00 0.00 0.00 1.12 -1.44 0.00 0.00 177.06 176.74 1skx h HIS 359 N 2.56 0.00 0.11 1.08 2.07 -1.87 -0.01 115.15 119.09 1skx h HIS 359 Ca 0.20 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.56 1skx h HIS 359 Cb 1.26 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.26 1skx h HIS 359 CO 1.40 0.00 -0.66 -0.09 -3.07 0.00 0.00 177.93 175.51 1skx h ARG 360 N 0.00 0.26 -0.14 5.12 1.12 -1.94 -2.35 114.38 116.45 1skx h ARG 360 Ca 0.00 -0.42 -0.03 0.00 -1.11 0.00 0.00 59.98 58.42 1skx h ARG 360 Cb 0.02 0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 30.13 1skx h ARG 360 CO 0.00 1.19 -0.02 0.28 -3.11 0.00 0.00 179.97 178.31 1skx h VAL 361 N -0.45 1.28 -0.42 0.20 2.07 -1.54 -2.17 116.25 115.21 1skx h VAL 361 Ca -0.11 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1skx h VAL 361 Cb 1.51 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1skx h VAL 361 CO 0.12 0.27 0.28 0.58 0.02 0.00 0.00 177.57 178.84 1skx h VAL 362 N -0.03 1.11 -0.43 2.57 2.07 -1.19 -1.56 116.25 118.79 1skx h VAL 362 Ca 0.04 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.22 1skx h VAL 362 Cb 0.43 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1skx h VAL 362 CO 0.01 0.10 -0.30 -0.78 0.02 0.00 0.00 177.57 176.62 1skx h ASP 363 N 0.57 1.01 -0.04 0.57 3.58 -1.21 -1.00 116.42 119.90 1skx h ASP 363 Ca 0.15 -0.43 -0.12 0.00 0.42 0.00 0.00 57.03 57.05 1skx h ASP 363 Cb -0.07 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.69 1skx h ASP 363 CO -0.03 1.23 -0.35 1.56 -2.88 0.00 0.00 179.24 178.77 1skx h GLN 364 N 0.79 0.53 -0.03 0.28 4.20 -0.76 -2.53 115.11 117.58 1skx h GLN 364 Ca 0.08 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1skx h GLN 364 Cb 0.89 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 1skx h GLN 364 CO 0.08 0.80 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.97 1skx h LEU 365 N 0.45 0.06 -1.43 1.46 3.38 -1.18 -2.09 115.31 115.96 1skx h LEU 365 Ca 0.05 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.79 1skx h LEU 365 Cb 0.82 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1skx h LEU 365 CO 0.07 0.37 0.49 -0.61 0.09 0.00 0.00 178.44 178.85 1skx h GLN 366 N -0.25 0.62 -0.30 1.13 4.15 -1.12 -0.93 115.11 118.40 1skx h GLN 366 Ca 0.01 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.22 1skx h GLN 366 Cb 0.34 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1skx h GLN 366 CO 0.00 0.41 -0.50 1.49 -1.93 0.00 0.00 178.83 178.30 1skx h GLU 367 N 0.63 0.87 -0.22 1.69 4.81 -1.30 -1.30 114.58 119.77 1skx h GLU 367 Ca 0.35 -0.53 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1skx h GLU 367 Cb 0.49 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1skx h GLU 367 CO -0.12 1.17 -0.04 1.96 -0.73 0.00 0.00 179.01 181.24 1skx h GLN 368 N 0.66 0.33 -0.17 1.92 4.20 -0.52 -0.36 115.11 121.16 1skx h GLN 368 Ca 0.02 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 1skx h GLN 368 Cb 1.11 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.84 1skx h GLN 368 CO 0.11 0.39 -0.59 0.74 -0.67 0.00 0.00 178.83 178.82 1skx h PHE 369 N 0.32 0.92 -0.46 2.96 0.05 -1.05 -2.04 116.94 117.64 1skx h PHE 369 Ca 0.07 -0.38 -0.03 0.00 3.82 0.00 0.00 57.97 61.45 1skx h PHE 369 Cb 0.29 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 38.07 1skx h PHE 369 CO 0.01 1.18 0.17 0.00 -0.18 0.00 0.00 178.31 179.48 1skx h ALA 370 N 0.56 0.59 -0.36 2.45 0.00 -0.85 -1.81 119.26 119.83 1skx h ALA 370 Ca -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1skx h ALA 370 Cb 1.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1skx h ALA 370 CO 0.12 0.22 0.18 0.82 0.00 0.00 0.00 179.25 180.59 1skx h ILE 371 N 0.60 1.16 -0.70 0.00 2.04 -1.10 -0.51 117.51 118.99 1skx h ILE 371 Ca 0.15 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1skx h ILE 371 Cb 0.22 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1skx h ILE 371 CO -0.01 0.17 0.44 0.74 0.00 0.00 0.00 178.15 179.49 1skx h THR 372 N 0.45 1.10 -0.50 -0.27 2.02 -1.23 0.20 112.91 114.68 1skx h THR 372 Ca 0.12 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1skx h THR 372 Cb 0.10 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1skx h THR 372 CO -0.02 0.16 0.22 0.25 0.37 0.00 0.00 175.52 176.50 1skx h LEU 373 N 0.87 0.68 -0.60 2.58 5.85 -1.00 0.24 115.31 123.92 1skx h LEU 373 Ca 0.28 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1skx h LEU 373 Cb 0.01 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1skx h LEU 373 CO -0.11 0.64 0.18 0.50 -0.34 0.00 0.00 178.44 179.32 1skx h LYS 374 N 0.67 0.94 -0.30 1.25 3.64 -0.41 -1.34 116.57 121.01 1skx h LYS 374 Ca 0.17 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1skx h LYS 374 Cb 0.16 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1skx h LYS 374 CO -0.02 0.84 -0.13 0.77 -2.27 0.00 0.00 179.45 178.64 1skx h SER 375 N 0.85 0.63 -0.94 4.20 0.02 -0.37 -2.17 113.55 115.78 1skx h SER 375 Ca 0.19 -0.40 0.07 0.00 -0.84 0.00 0.00 61.79 60.81 1skx h SER 375 Cb 0.30 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.60 1skx h SER 375 CO -0.01 0.89 0.59 0.22 -1.14 0.00 0.00 176.83 177.39 1skx h TYR 376 N 0.37 1.10 -0.30 3.45 5.03 -0.36 -1.76 116.97 124.49 1skx h TYR 376 Ca 0.07 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.30 1skx h TYR 376 Cb 0.64 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 1skx h TYR 376 CO 0.06 0.56 -0.23 0.82 -1.32 0.00 0.00 178.16 178.05 1skx h ILE 377 N 1.07 1.30 0.00 1.81 2.04 -1.11 -1.82 117.51 120.81 1skx h ILE 377 Ca 0.41 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1skx h ILE 377 Cb 0.18 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1skx h ILE 377 CO -0.18 0.44 0.00 -0.62 0.00 0.00 0.00 178.15 177.79 1skx n GLU 378 N -4.31 0.06 -0.00 2.37 1.02 -0.83 -1.12 120.64 117.84 1skx n GLU 378 Ca -0.03 0.22 0.06 0.00 -0.02 0.00 0.00 57.16 57.39 1skx n GLU 378 Cb 0.43 -1.60 -0.08 0.00 -0.02 0.00 0.00 31.44 30.17 1skx n GLU 378 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1skx n ASN 380 N -1.42 1.03 -3.50 0.00 4.13 -0.70 -4.93 115.26 109.87 1skx n ASN 380 Ca 0.02 -0.23 -0.27 0.00 1.68 0.00 0.00 54.58 55.78 1skx n ASN 380 Cb 0.23 0.66 -0.10 0.00 -1.54 0.00 0.00 39.78 39.03 1skx n ASN 380 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1skx n ARG 381 N -0.76 0.97 0.07 3.52 1.74 -0.28 -4.94 116.66 116.98 1skx n ARG 381 Ca 0.00 -3.70 0.13 0.00 -0.77 0.00 0.00 57.85 53.51 1skx n ARG 381 Cb 0.00 -1.83 0.47 0.00 -1.02 0.00 0.00 32.46 30.08 1skx n ARG 381 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1skx n PRO 382 N 2.16 0.17 -1.67 5.56 -0.04 -1.26 -4.75 135.00 135.17 1skx n PRO 382 Ca 0.26 0.14 -0.45 0.00 -0.04 0.00 0.00 63.50 63.41 1skx n PRO 382 Cb 0.44 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 32.18 1skx n PRO 382 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1skx n GLN 383 N -2.00 1.96 0.30 0.54 0.00 -1.26 -4.85 117.38 112.08 1skx n GLN 383 Ca 0.06 0.70 0.17 0.00 0.00 0.00 0.00 57.00 57.93 1skx n GLN 383 Cb 0.40 -2.31 0.89 0.00 0.00 0.00 0.00 30.24 29.22 1skx n GLN 383 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 1skx h PRO 384 N 3.70 0.00 0.00 2.61 0.11 -2.00 0.17 132.00 136.60 1skx h PRO 384 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 1skx h PRO 384 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1skx h PRO 384 CO 0.72 0.00 -0.52 0.00 -0.21 0.00 0.00 178.00 177.98 1skx h ALA 385 N 1.51 0.78 -0.37 -0.75 0.00 -1.96 -3.10 119.26 115.38 1skx h ALA 385 Ca 0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1skx h ALA 385 Cb 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1skx h ALA 385 CO -0.00 0.65 0.00 0.72 0.00 0.00 0.00 179.25 180.63 1skx n HIS 386 N -3.40 1.33 -2.64 0.00 8.25 0.60 -4.87 115.22 114.50 1skx n HIS 386 Ca 0.01 -0.47 -0.41 0.00 -0.26 0.00 0.00 57.72 56.59 1skx n HIS 386 Cb 0.66 -0.37 -0.04 0.00 1.12 0.00 0.00 29.99 31.36 1skx n HIS 386 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1skx s ARG 387 N -2.12 4.65 -0.52 -0.41 0.52 -1.17 -2.78 118.95 117.11 1skx s ARG 387 Ca 0.35 1.57 0.00 0.00 -0.52 0.00 0.00 55.73 57.12 1skx s ARG 387 Cb 0.27 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1skx s ARG 387 CO 0.10 0.15 0.00 1.19 0.02 0.00 0.00 175.30 176.76 1skx n PHE 388 N 2.65 0.00 0.02 -0.53 0.99 -1.26 -4.91 117.46 114.42 1skx n PHE 388 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.37 1skx n PHE 388 Cb 0.48 -1.49 -0.05 0.00 -1.00 0.00 0.00 39.48 37.42 1skx n PHE 388 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1skx h LEU 389 N 0.00 -0.19 -0.65 4.37 5.85 -1.85 -0.85 115.31 121.98 1skx h LEU 389 Ca -0.10 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.78 1skx h LEU 389 Cb 0.60 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 1skx h LEU 389 CO 0.15 -0.09 0.18 0.15 -0.34 0.00 0.00 178.44 178.50 1skx h PHE 390 N -0.07 0.30 -0.01 1.25 3.57 -1.91 0.45 116.94 120.52 1skx h PHE 390 Ca 0.05 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 1skx h PHE 390 Cb 0.15 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1skx h PHE 390 CO -0.17 -0.00 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.38 1skx h LEU 391 N 0.32 0.02 -0.73 0.59 3.38 -1.88 -1.89 115.31 115.12 1skx h LEU 391 Ca 0.35 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 1skx h LEU 391 Cb 0.52 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1skx h LEU 391 CO -0.41 0.49 -0.37 0.11 0.09 0.00 0.00 178.44 178.34 1skx h LYS 392 N 0.02 0.54 -0.38 1.13 1.57 0.47 -2.05 116.57 117.87 1skx h LYS 392 Ca -0.00 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.39 1skx h LYS 392 Cb 0.83 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1skx h LYS 392 CO 0.06 0.83 -0.24 0.82 -0.57 0.00 0.00 179.45 180.35 1skx h ILE 393 N 0.45 1.28 0.00 1.86 2.04 -0.82 -2.18 117.51 120.15 1skx h ILE 393 Ca 0.04 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 1skx h ILE 393 Cb 0.86 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1skx h ILE 393 CO 0.07 0.46 -0.32 0.24 0.00 0.00 0.00 178.15 178.61 1skx h MET 394 N 0.63 0.00 -0.16 2.37 2.86 -1.19 -1.89 114.93 117.55 1skx h MET 394 Ca 0.08 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.51 1skx h MET 394 Cb 0.81 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.48 1skx h MET 394 CO 0.07 0.32 -0.71 0.00 1.06 0.00 0.00 176.91 177.65 1skx h ALA 395 N 1.68 0.30 -0.99 6.32 0.00 -1.21 -2.83 119.26 122.53 1skx h ALA 395 Ca -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.34 1skx h ALA 395 Cb 0.56 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1skx h ALA 395 CO 0.04 0.62 0.65 0.52 0.00 0.00 0.00 179.25 181.09 1skx h MET 396 N 0.48 1.29 -0.16 0.00 2.07 -1.01 -0.63 114.93 116.98 1skx h MET 396 Ca -0.04 -0.08 -0.08 0.00 -2.07 0.00 0.00 59.70 57.43 1skx h MET 396 Cb 1.34 -0.29 -0.01 0.00 -1.87 0.00 0.00 31.60 30.76 1skx h MET 396 CO 0.15 0.86 -0.24 -0.07 1.07 0.00 0.00 176.91 178.67 1skx h LEU 397 N 1.33 0.28 -0.66 1.22 3.38 -1.32 0.33 115.31 119.87 1skx h LEU 397 Ca 0.36 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.11 1skx h LEU 397 Cb -0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1skx h LEU 397 CO -0.08 0.53 -0.52 0.74 0.09 0.00 0.00 178.44 179.19 1skx h THR 398 N 0.26 1.34 -0.30 0.22 2.02 -1.08 -0.84 112.91 114.53 1skx h THR 398 Ca 0.04 -1.78 -0.11 0.00 0.77 0.00 0.00 66.41 65.33 1skx h THR 398 Cb 0.57 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 1skx h THR 398 CO 0.04 0.54 -0.22 -0.33 0.37 0.00 0.00 175.52 175.92 1skx h GLU 399 N 0.30 0.68 -0.66 6.66 4.39 -0.43 -2.27 114.58 123.26 1skx h GLU 399 Ca 0.01 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 1skx h GLU 399 Cb 1.02 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 1skx h GLU 399 CO 0.09 0.94 0.27 1.25 -1.16 0.00 0.00 179.01 180.40 1skx h LEU 400 N 0.44 0.88 -1.16 1.33 5.85 -0.16 0.25 115.31 122.74 1skx h LEU 400 Ca 0.06 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1skx h LEU 400 Cb 0.78 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1skx h LEU 400 CO 0.06 0.78 0.09 0.03 -0.34 0.00 0.00 178.44 179.07 1skx h ARG 401 N 0.95 0.68 -0.04 1.25 2.47 -0.98 0.37 114.38 119.08 1skx h ARG 401 Ca 0.22 -0.13 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 1skx h ARG 401 Cb 0.17 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1skx h ARG 401 CO -0.02 0.63 -0.18 1.03 0.56 0.00 0.00 179.97 181.99 1skx h SER 402 N 0.66 0.23 -0.82 7.04 0.87 -0.75 -2.21 113.55 118.57 1skx h SER 402 Ca 0.15 -0.66 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1skx h SER 402 Cb 0.27 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 1skx h SER 402 CO -0.00 0.85 0.44 0.40 -0.53 0.00 0.00 176.83 177.99 1skx h ILE 403 N -0.38 1.24 0.06 2.23 2.04 -0.26 -1.67 117.51 120.78 1skx h ILE 403 Ca -0.01 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1skx h ILE 403 Cb 0.84 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1skx h ILE 403 CO 0.04 0.27 -0.03 -1.13 0.00 0.00 0.00 178.15 177.30 1skx h ASN 404 N 1.14 -0.07 0.34 1.72 -1.24 -0.29 0.11 115.58 117.30 1skx h ASN 404 Ca 0.29 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.23 1skx h ASN 404 Cb 0.04 0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.11 1skx h ASN 404 CO -0.05 0.00 -0.10 0.00 -1.29 0.00 0.00 177.43 176.00 1skx h ALA 405 N 0.81 1.29 0.14 1.57 0.00 -1.25 -1.99 119.26 119.82 1skx h ALA 405 Ca -0.01 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 1skx h ALA 405 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1skx h ALA 405 CO 0.01 0.12 -1.42 0.37 0.00 0.00 0.00 179.25 178.34 1skx h GLN 406 N 0.00 0.30 -0.05 0.00 -0.00 -0.81 -3.32 115.11 111.23 1skx h GLN 406 Ca -0.00 -0.51 -0.01 0.00 -0.00 0.00 0.00 58.65 58.13 1skx h GLN 406 Cb 0.29 0.19 -0.00 0.00 0.00 0.00 0.00 27.48 27.96 1skx h GLN 406 CO 0.01 1.20 0.00 1.25 0.00 0.00 0.00 178.83 181.30 1skx h HIS 407 N 0.08 0.08 -0.59 3.99 2.76 -0.25 -2.94 115.15 118.28 1skx h HIS 407 Ca -0.20 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.07 1skx h HIS 407 Cb 2.02 -0.02 -0.11 0.00 1.55 0.00 0.00 27.41 30.84 1skx h HIS 407 CO 0.07 0.33 -0.21 1.15 -1.30 0.00 0.00 177.93 177.97 1skx h THR 408 N -0.19 0.31 -0.22 6.26 2.02 -1.51 0.28 112.91 119.87 1skx h THR 408 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.22 1skx h THR 408 Cb 0.29 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1skx h THR 408 CO 0.00 0.00 0.06 1.56 0.37 0.00 0.00 175.52 177.51 1skx h GLN 409 N -0.07 0.15 -0.73 6.66 4.20 -1.65 -0.49 115.11 123.18 1skx h GLN 409 Ca 0.27 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 1skx h GLN 409 Cb 0.49 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1skx h GLN 409 CO -0.64 0.10 0.31 -0.09 -0.67 0.00 0.00 178.83 177.84 1skx h ARG 410 N 0.16 1.08 -0.38 1.46 2.43 -1.05 -1.73 114.38 116.35 1skx h ARG 410 Ca 0.10 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 1skx h ARG 410 Cb 0.08 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1skx h ARG 410 CO -0.11 0.86 -0.24 1.25 -1.51 0.00 0.00 179.97 180.22 1skx h LEU 411 N 1.06 0.78 -1.12 3.80 6.46 -0.11 -2.57 115.31 123.62 1skx h LEU 411 Ca 0.25 -0.29 -0.07 0.00 -0.12 0.00 0.00 57.88 57.65 1skx h LEU 411 Cb 0.18 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 1skx h LEU 411 CO -0.02 0.99 -0.33 -0.07 -0.62 0.00 0.00 178.44 178.39 1skx h LEU 412 N 0.67 0.00 -0.63 2.25 3.38 -0.77 -1.12 115.31 119.08 1skx h LEU 412 Ca 0.09 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1skx h LEU 412 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1skx h LEU 412 CO 0.06 0.33 -0.57 0.03 0.09 0.00 0.00 178.44 178.37 1skx h ARG 413 N 0.00 0.34 -0.03 1.13 3.08 -0.94 -2.02 114.38 115.94 1skx h ARG 413 Ca -0.00 -0.22 -0.17 0.00 0.07 0.00 0.00 59.98 59.66 1skx h ARG 413 Cb 0.78 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.87 1skx h ARG 413 CO 0.04 0.82 -0.63 0.82 -1.07 0.00 0.00 179.97 179.95 1skx h ILE 414 N 0.26 1.39 0.00 2.04 2.04 -1.09 -3.08 117.51 119.07 1skx h ILE 414 Ca -0.00 -2.04 -0.00 0.00 1.00 0.00 0.00 64.86 63.82 1skx h ILE 414 Cb 1.08 2.47 -0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1skx h ILE 414 CO 0.09 0.60 -0.01 -0.61 0.00 0.00 0.00 178.15 178.23 1skx h GLN 415 N 0.01 0.00 0.00 2.37 5.75 -1.19 0.58 115.11 122.63 1skx h GLN 415 Ca -0.07 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.25 1skx h GLN 415 Cb 1.32 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.84 1skx h GLN 415 CO 0.13 0.01 -0.87 0.22 -2.65 0.00 0.00 178.83 175.66 1skx h ASP 416 N 0.00 0.00 0.00 -0.69 1.82 -1.28 -3.32 116.42 112.95 1skx h ASP 416 Ca -0.00 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 1skx h ASP 416 Cb 0.13 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 1skx h ASP 416 CO 0.00 0.87 -1.26 -0.38 -1.61 0.00 0.00 179.24 176.86 1skx n ILE 417 N -3.38 1.50 -3.90 2.25 5.41 -0.18 -4.88 119.36 116.17 1skx n ILE 417 Ca 0.00 0.04 -0.30 0.00 1.00 0.00 0.00 62.75 63.49 1skx n ILE 417 Cb 0.86 -2.25 -0.14 0.00 -0.71 0.00 0.00 39.64 37.40 1skx n ILE 417 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1skx s HIS 418 N -2.73 2.98 0.19 1.39 5.04 0.19 -5.10 115.29 117.25 1skx s HIS 418 Ca -0.29 -2.89 -0.33 0.00 -1.54 0.00 0.00 55.06 50.01 1skx s HIS 418 Cb 0.06 -2.59 -0.14 0.00 0.04 0.00 0.00 32.58 29.95 1skx s HIS 418 CO 0.42 -0.81 1.46 -0.35 -2.34 0.00 0.00 174.74 173.13 1skx n PRO 419 N 3.59 1.97 0.00 2.88 -0.04 -1.25 -4.33 135.00 137.82 1skx n PRO 419 Ca 0.05 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1skx n PRO 419 Cb 0.36 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1skx n PRO 419 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1skx n PHE 420 N 2.57 0.00 -1.60 0.54 1.16 -1.26 -5.06 117.46 113.81 1skx n PHE 420 Ca 0.15 0.00 -0.49 0.00 -1.87 0.00 0.00 57.45 55.24 1skx n PHE 420 Cb 0.29 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.12 1skx n PHE 420 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1skx n ALA 421 N -0.35 -0.38 -1.95 1.98 0.00 -1.26 -4.95 120.51 113.60 1skx n ALA 421 Ca 0.00 0.47 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 1skx n ALA 421 Cb 0.00 -2.10 0.06 0.00 0.00 0.00 0.00 19.45 17.41 1skx n ALA 421 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1skx s THR 422 N 0.11 2.72 0.28 0.00 -4.23 -1.26 -4.83 115.64 108.43 1skx s THR 422 Ca 0.76 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 61.27 1skx s THR 422 Cb -0.84 -3.18 0.27 0.00 1.34 0.00 0.00 72.50 70.09 1skx s THR 422 CO 0.49 -0.21 1.76 -0.65 -0.54 0.00 0.00 174.62 175.47 1skx h PRO 423 N -0.62 0.63 -0.46 3.99 0.11 -1.99 -0.20 132.00 133.47 1skx h PRO 423 Ca -0.45 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1skx h PRO 423 Cb 1.30 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1skx h PRO 423 CO 0.62 0.42 -0.15 1.25 -0.21 0.00 0.00 178.00 179.93 1skx h LEU 424 N 0.65 0.92 -1.80 2.35 5.85 -2.00 -1.68 115.31 119.61 1skx h LEU 424 Ca 0.52 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1skx h LEU 424 Cb 0.80 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1skx h LEU 424 CO -0.39 1.09 -0.06 0.24 -0.34 0.00 0.00 178.44 178.98 1skx h MET 425 N 0.75 0.00 0.13 1.25 2.86 -1.62 -2.42 114.93 115.88 1skx h MET 425 Ca 0.11 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.46 1skx h MET 425 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1skx h MET 425 CO 0.05 0.06 -1.36 1.96 1.06 0.00 0.00 176.91 178.69 1skx h GLN 426 N 0.00 0.26 -0.11 1.72 4.20 -0.63 -2.04 115.11 118.52 1skx h GLN 426 Ca -0.00 -0.45 -0.08 0.00 0.06 0.00 0.00 58.65 58.18 1skx h GLN 426 Cb 0.41 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1skx h GLN 426 CO 0.01 1.18 -0.28 0.93 -0.67 0.00 0.00 178.83 179.99 1skx h GLU 427 N 0.07 0.20 0.07 1.46 4.39 -0.90 0.73 114.58 120.60 1skx h GLU 427 Ca -0.18 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.28 1skx h GLU 427 Cb 1.99 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1skx h GLU 427 CO 0.19 0.47 -0.85 -0.07 -1.16 0.00 0.00 179.01 177.59 1skx h LEU 428 N 0.18 0.24 -1.41 1.33 3.38 -1.49 -3.35 115.31 114.18 1skx h LEU 428 Ca 0.03 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1skx h LEU 428 Cb 0.60 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1skx h LEU 428 CO 0.04 1.37 0.00 0.49 0.09 0.00 0.00 178.44 180.43 1skx n PHE 429 N -4.25 0.38 -3.05 1.13 3.01 -0.77 -4.85 117.46 109.06 1skx n PHE 429 Ca -0.19 -0.19 -0.09 0.00 1.01 0.00 0.00 57.45 57.99 1skx n PHE 429 Cb 0.73 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.21 1skx n PHE 429 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1skx n GLY 430 N 1.18 -1.15 0.00 1.37 0.00 0.12 -5.02 105.19 101.70 1skx n GLY 430 Ca 0.16 0.94 0.00 0.00 0.00 0.00 0.00 46.02 47.11 1skx n GLY 430 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71