#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkl s ARG 136 N 0.00 3.77 -0.06 3.44 0.52 -1.26 -4.48 118.95 120.87 1kkl s ARG 136 Ca 0.00 0.22 0.04 0.00 -0.52 0.00 0.00 55.73 55.47 1kkl s ARG 136 Cb 0.00 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.33 1kkl s ARG 136 CO 0.00 0.66 -0.18 -0.98 0.02 0.00 0.00 175.30 174.82 1kkl s ARG 137 N -1.38 2.08 -0.11 3.54 1.04 0.59 -4.94 118.95 119.78 1kkl s ARG 137 Ca 0.25 -0.65 -0.18 0.00 -1.04 0.00 0.00 55.73 54.11 1kkl s ARG 137 Cb -0.15 -1.73 -0.04 0.00 -2.04 0.00 0.00 34.95 30.99 1kkl s ARG 137 CO 0.14 0.20 0.49 -1.12 -0.04 0.00 0.00 175.30 174.96 1kkl s SER 138 N 0.21 6.71 0.17 -2.89 0.01 -1.26 -0.21 113.70 116.44 1kkl s SER 138 Ca -0.09 0.85 0.11 0.00 1.31 0.00 0.00 55.95 58.13 1kkl s SER 138 Cb -0.14 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1kkl s SER 138 CO 0.04 0.01 -0.24 -0.04 0.41 0.00 0.00 173.24 173.42 1kkl s MET 139 N 0.54 1.52 -0.29 12.44 -1.94 0.24 -4.93 119.30 126.88 1kkl s MET 139 Ca 0.26 -1.44 -0.15 0.00 -1.71 0.00 0.00 55.69 52.65 1kkl s MET 139 Cb -0.15 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 34.76 1kkl s MET 139 CO 0.11 0.42 0.39 -1.58 -0.01 0.00 0.00 175.02 174.35 1kkl s HIS 140 N -1.45 3.23 -3.68 -0.03 2.46 -1.26 -0.48 115.29 114.09 1kkl s HIS 140 Ca 0.19 0.33 0.00 0.00 0.47 0.00 0.00 55.06 56.05 1kkl s HIS 140 Cb -0.09 -2.62 0.00 0.00 -0.13 0.00 0.00 32.58 29.74 1kkl s HIS 140 CO 0.09 -0.29 0.00 0.41 -2.47 0.00 0.00 174.74 172.48 1kkl n GLY 141 N 4.73 -1.02 2.96 1.59 0.00 -0.80 -4.58 105.19 108.07 1kkl n GLY 141 Ca -0.08 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 1kkl n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkl s VAL 142 N -3.00 0.91 -0.29 1.61 1.01 0.18 -0.44 120.40 120.38 1kkl s VAL 142 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1kkl s VAL 142 Cb 0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 1kkl s VAL 142 CO 0.00 0.31 0.11 -0.22 0.00 0.00 0.00 175.10 175.30 1kkl s LEU 143 N 0.86 3.89 0.11 3.92 0.20 0.80 0.32 118.68 128.78 1kkl s LEU 143 Ca -0.11 -0.53 0.09 0.00 0.69 0.00 0.00 54.13 54.26 1kkl s LEU 143 Cb -0.15 -1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 43.63 1kkl s LEU 143 CO 0.01 -0.16 -0.22 0.68 -0.29 0.00 0.00 176.35 176.37 1kkl s VAL 144 N 1.57 1.82 -0.45 1.68 -7.23 -0.59 -0.10 120.40 117.09 1kkl s VAL 144 Ca 0.04 -1.62 -0.18 0.00 -1.81 0.00 0.00 61.98 58.42 1kkl s VAL 144 Cb -0.17 -1.66 0.04 0.00 0.56 0.00 0.00 36.38 35.15 1kkl s VAL 144 CO 0.04 -0.06 0.49 -0.62 -0.31 0.00 0.00 175.10 174.65 1kkl s ASP 145 N -2.00 6.20 -0.25 4.85 3.68 0.34 -0.62 116.67 128.86 1kkl s ASP 145 Ca 0.09 -0.84 -0.03 0.00 2.13 0.00 0.00 52.55 53.90 1kkl s ASP 145 Cb -0.10 -2.24 0.02 0.00 -1.45 0.00 0.00 42.92 39.15 1kkl s ASP 145 CO 0.05 -0.69 -0.04 -0.63 0.13 0.00 0.00 175.17 173.99 1kkl s ILE 146 N 2.22 3.07 -1.48 4.11 1.01 -0.24 -1.09 121.20 128.79 1kkl s ILE 146 Ca 0.12 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 1kkl s ILE 146 Cb -0.19 -2.55 0.08 0.00 0.01 0.00 0.00 42.46 39.81 1kkl s ILE 146 CO 0.12 0.20 0.82 -1.22 0.00 0.00 0.00 174.94 174.86 1kkl n TYR 147 N 4.71 -2.13 0.00 3.97 0.53 -1.26 -0.84 117.16 122.13 1kkl n TYR 147 Ca -0.16 0.75 0.00 0.00 -1.02 0.00 0.00 57.90 57.47 1kkl n TYR 147 Cb 0.48 -3.77 0.00 0.00 -1.03 0.00 0.00 39.34 35.02 1kkl n TYR 147 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1kkl n GLY 148 N -1.54 2.45 3.76 2.72 0.00 -1.26 -5.01 105.19 106.30 1kkl n GLY 148 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1kkl n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kkl s LEU 149 N 0.00 4.28 -0.19 0.99 1.43 -0.02 -5.03 118.68 120.14 1kkl s LEU 149 Ca 0.00 0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 53.33 1kkl s LEU 149 Cb 0.00 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 1kkl s LEU 149 CO 0.00 0.16 1.28 -0.83 0.23 0.00 0.00 176.35 177.20 1kkl s GLY 150 N 0.14 1.59 -0.20 -3.19 0.00 -1.23 -1.08 107.32 103.35 1kkl s GLY 150 Ca 0.16 0.41 0.02 0.00 0.00 0.00 0.00 44.72 45.31 1kkl s GLY 150 CO 0.04 2.53 -0.17 0.14 0.00 0.00 0.00 173.10 175.64 1kkl s VAL 151 N 3.68 2.07 -0.28 1.40 1.01 0.21 -0.70 120.40 127.79 1kkl s VAL 151 Ca 0.56 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1kkl s VAL 151 Cb -0.21 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1kkl s VAL 151 CO 0.16 0.37 0.43 -0.22 0.00 0.00 0.00 175.10 175.85 1kkl s LEU 152 N 1.24 4.12 -0.31 3.92 2.96 0.22 -1.54 118.68 129.29 1kkl s LEU 152 Ca 0.01 0.26 -0.14 0.00 -0.22 0.00 0.00 54.13 54.04 1kkl s LEU 152 Cb -0.15 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 1kkl s LEU 152 CO -0.11 -0.27 0.32 -0.63 -1.32 0.00 0.00 176.35 174.34 1kkl s ILE 153 N 2.18 5.21 0.46 6.68 1.09 0.15 -1.15 121.20 135.82 1kkl s ILE 153 Ca 0.17 0.22 0.06 0.00 -1.10 0.00 0.00 60.65 60.00 1kkl s ILE 153 Cb -0.16 -3.71 -0.01 0.00 -1.06 0.00 0.00 42.46 37.52 1kkl s ILE 153 CO 0.10 0.07 0.27 0.42 -0.10 0.00 0.00 174.94 175.70 1kkl s THR 154 N 1.96 2.06 0.00 2.92 -4.23 -0.59 -0.64 115.64 117.11 1kkl s THR 154 Ca 0.11 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1kkl s THR 154 Cb -0.16 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1kkl s THR 154 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1kkl n GLY 155 N -1.46 4.78 3.42 3.99 0.00 -1.26 -0.92 105.19 113.75 1kkl n GLY 155 Ca -0.02 -1.13 -0.46 0.00 0.00 0.00 0.00 46.02 44.41 1kkl n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kkl n ASP 156 N 0.00 -0.98 -4.75 1.61 9.92 -1.26 -4.82 116.55 116.27 1kkl n ASP 156 Ca 0.00 1.09 -0.42 0.00 -0.53 0.00 0.00 54.79 54.93 1kkl n ASP 156 Cb 0.00 -1.01 -0.01 0.00 -0.64 0.00 0.00 41.12 39.46 1kkl n ASP 156 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1kkl n SER 157 N 1.86 3.75 0.00 -2.24 2.88 -1.26 -2.00 113.62 116.60 1kkl n SER 157 Ca 0.15 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1kkl n SER 157 Cb 0.29 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 1kkl n SER 157 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kkl n GLY 158 N 1.62 1.37 0.15 0.46 0.00 -1.26 -4.92 105.19 102.61 1kkl n GLY 158 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1kkl n GLY 158 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1kkl h VAL 159 N 0.00 0.00 -0.16 1.61 3.04 -1.72 -3.47 116.25 115.55 1kkl h VAL 159 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1kkl h VAL 159 Cb 0.00 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1kkl h VAL 159 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 1kkl n GLY 160 N 0.36 1.23 0.14 3.17 0.00 -1.26 -5.01 105.19 103.82 1kkl n GLY 160 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 1kkl n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkl h LYS 161 N 0.00 0.24 -0.31 1.61 1.57 -1.90 -1.93 116.57 115.84 1kkl h LYS 161 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1kkl h LYS 161 Cb 0.33 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1kkl h LYS 161 CO 0.00 0.16 0.16 0.77 -0.57 0.00 0.00 179.45 179.97 1kkl h SER 162 N 0.24 0.40 -0.48 0.86 0.02 -1.95 -0.89 113.55 111.75 1kkl h SER 162 Ca 0.13 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1kkl h SER 162 Cb 0.09 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1kkl h SER 162 CO -0.12 0.40 0.31 -0.33 -1.14 0.00 0.00 176.83 175.94 1kkl h GLU 163 N 0.38 0.64 -0.72 3.45 3.07 -1.84 0.18 114.58 119.76 1kkl h GLU 163 Ca 0.11 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1kkl h GLU 163 Cb 0.09 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 1kkl h GLU 163 CO -0.02 0.44 0.43 1.15 -1.40 0.00 0.00 179.01 179.62 1kkl h THR 164 N 0.65 1.20 -0.80 1.13 2.02 -1.15 -1.37 112.91 114.59 1kkl h THR 164 Ca 0.18 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1kkl h THR 164 Cb -0.05 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.53 1kkl h THR 164 CO -0.04 0.21 0.52 0.00 0.37 0.00 0.00 175.52 176.59 1kkl h ALA 165 N 1.23 1.40 -0.66 6.16 0.00 -0.42 -1.15 119.26 125.82 1kkl h ALA 165 Ca 0.26 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1kkl h ALA 165 Cb -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1kkl h ALA 165 CO -0.05 0.54 0.43 1.25 0.00 0.00 0.00 179.25 181.42 1kkl h LEU 166 N 1.09 0.73 -1.21 0.00 5.85 0.41 -1.60 115.31 120.59 1kkl h LEU 166 Ca 0.29 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 1kkl h LEU 166 Cb -0.11 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1kkl h LEU 166 CO -0.06 0.53 -0.35 -0.08 -0.34 0.00 0.00 178.44 178.14 1kkl h GLU 167 N 0.87 0.00 -0.13 1.25 4.81 -0.67 -2.77 114.58 117.94 1kkl h GLU 167 Ca 0.25 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.28 1kkl h GLU 167 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1kkl h GLU 167 CO -0.07 0.35 -0.71 -0.07 -0.73 0.00 0.00 179.01 177.78 1kkl h LEU 168 N 0.00 0.68 -0.84 1.64 3.38 -0.32 -2.51 115.31 117.35 1kkl h LEU 168 Ca -0.00 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 1kkl h LEU 168 Cb 0.73 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1kkl h LEU 168 CO 0.05 1.19 -0.50 -0.37 0.09 0.00 0.00 178.44 178.90 1kkl h VAL 169 N 0.41 1.35 -0.29 1.22 -1.51 -1.18 -1.30 116.25 114.95 1kkl h VAL 169 Ca -0.03 -1.73 -0.07 0.00 -1.23 0.00 0.00 66.70 63.64 1kkl h VAL 169 Cb 1.30 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 32.29 1kkl h VAL 169 CO 0.13 0.51 -0.12 1.56 -1.23 0.00 0.00 177.57 178.42 1kkl h GLN 170 N 0.17 0.48 0.00 5.19 4.20 -1.42 -0.95 115.11 122.78 1kkl h GLN 170 Ca 0.01 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1kkl h GLN 170 Cb 0.94 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1kkl h GLN 170 CO 0.08 0.60 0.00 0.54 -0.67 0.00 0.00 178.83 179.38 1kkl n ARG 171 N -4.21 0.88 0.00 1.46 1.74 -0.90 -4.85 116.66 110.78 1kkl n ARG 171 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1kkl n ARG 171 Cb 0.32 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1kkl n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kkl n GLY 172 N 0.67 1.17 3.90 -0.13 0.00 -0.36 -5.08 105.19 105.36 1kkl n GLY 172 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1kkl n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kkl s HIS 173 N -2.00 2.79 -0.18 1.61 3.76 -0.54 -4.94 115.29 115.78 1kkl s HIS 173 Ca 0.00 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.41 1kkl s HIS 173 Cb 0.00 -2.13 -0.04 0.00 1.11 0.00 0.00 32.58 31.51 1kkl s HIS 173 CO 0.00 -0.12 0.07 1.03 -0.85 0.00 0.00 174.74 174.88 1kkl s ARG 174 N -4.15 3.97 -0.18 1.40 0.52 -0.25 -4.25 118.95 116.01 1kkl s ARG 174 Ca 0.48 -0.32 -0.22 0.00 -0.52 0.00 0.00 55.73 55.15 1kkl s ARG 174 Cb -0.05 -3.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 1kkl s ARG 174 CO 0.29 0.31 0.70 -1.17 0.02 0.00 0.00 175.30 175.45 1kkl s LEU 175 N 0.27 4.17 -0.18 2.53 2.96 0.87 0.13 118.68 129.43 1kkl s LEU 175 Ca 0.05 0.98 -0.17 0.00 -0.22 0.00 0.00 54.13 54.76 1kkl s LEU 175 Cb -0.12 -3.02 -0.06 0.00 0.50 0.00 0.00 46.19 43.49 1kkl s LEU 175 CO -0.00 -0.30 -0.34 -0.38 -1.32 0.00 0.00 176.35 174.01 1kkl n ILE 176 N 4.63 1.50 -3.78 6.68 -0.00 0.85 -2.76 119.36 126.48 1kkl n ILE 176 Ca 0.01 0.14 -0.13 0.00 -0.00 0.00 0.00 62.75 62.77 1kkl n ILE 176 Cb 0.50 -2.35 -0.13 0.00 -0.00 0.00 0.00 39.64 37.66 1kkl n ILE 176 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1kkl s ALA 177 N -2.90 -0.40 -0.17 -1.39 0.00 -0.93 -4.28 121.76 111.70 1kkl s ALA 177 Ca -0.28 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 1kkl s ALA 177 Cb 0.04 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1kkl s ALA 177 CO 0.42 -0.13 -0.05 0.34 0.00 0.00 0.00 175.76 176.34 1kkl s ASP 178 N 0.66 4.56 0.00 0.00 3.68 -1.26 -0.14 116.67 124.16 1kkl s ASP 178 Ca -0.05 -0.23 0.00 0.00 2.13 0.00 0.00 52.55 54.40 1kkl s ASP 178 Cb -0.06 -1.75 0.00 0.00 -1.45 0.00 0.00 42.92 39.66 1kkl s ASP 178 CO -0.03 0.11 0.00 -0.67 0.13 0.00 0.00 175.17 174.71 1kkl n ASP 179 N 3.91 0.00 -4.23 -0.34 -0.08 0.42 -4.81 116.55 111.42 1kkl n ASP 179 Ca -0.18 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.75 1kkl n ASP 179 Cb 0.52 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.84 1kkl n ASP 179 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1kkl s ARG 180 N 0.00 2.81 -0.31 -0.67 3.52 -1.26 -1.91 118.95 121.14 1kkl s ARG 180 Ca 0.00 -1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 54.54 1kkl s ARG 180 Cb 0.00 -3.11 0.03 0.00 -1.56 0.00 0.00 34.95 30.31 1kkl s ARG 180 CO 0.00 -0.45 0.06 0.08 -0.81 0.00 0.00 175.30 174.17 1kkl s VAL 181 N 1.35 3.58 -0.44 7.11 1.01 0.37 -4.57 120.40 128.81 1kkl s VAL 181 Ca -0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 1kkl s VAL 181 Cb -0.17 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1kkl s VAL 181 CO -0.02 -0.04 0.97 -1.81 0.00 0.00 0.00 175.10 174.20 1kkl s ASP 182 N 1.39 6.58 0.19 3.32 1.01 -0.37 -0.59 116.67 128.20 1kkl s ASP 182 Ca -0.01 0.33 0.07 0.00 0.71 0.00 0.00 52.55 53.65 1kkl s ASP 182 Cb -0.18 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1kkl s ASP 182 CO 0.01 -1.04 0.05 0.68 0.21 0.00 0.00 175.17 175.08 1kkl s VAL 183 N 3.82 3.94 -0.15 -1.27 -7.23 0.71 -1.60 120.40 118.62 1kkl s VAL 183 Ca 0.40 -1.39 -0.12 0.00 -1.81 0.00 0.00 61.98 59.06 1kkl s VAL 183 Cb -0.10 -3.01 0.04 0.00 0.56 0.00 0.00 36.38 33.87 1kkl s VAL 183 CO 0.25 -0.15 0.38 -0.72 -0.31 0.00 0.00 175.10 174.54 1kkl s TYR 184 N -1.82 -0.45 0.61 2.82 -0.85 -0.52 -0.30 117.35 116.83 1kkl s TYR 184 Ca 0.29 1.06 -0.16 0.00 -0.52 0.00 0.00 57.07 57.74 1kkl s TYR 184 Cb -0.09 0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 1kkl s TYR 184 CO 0.20 -0.24 1.08 -1.14 -1.52 0.00 0.00 175.55 173.94 1kkl s GLN 185 N 0.55 3.16 0.00 -3.49 0.74 -1.26 -1.78 119.66 117.59 1kkl s GLN 185 Ca -0.03 1.32 0.00 0.00 0.05 0.00 0.00 55.36 56.70 1kkl s GLN 185 Cb -0.04 -2.00 0.00 0.00 1.10 0.00 0.00 33.01 32.06 1kkl s GLN 185 CO -0.03 -0.95 0.00 0.94 -0.55 0.00 0.00 175.29 174.70 1kkl n GLN 186 N -2.04 0.00 -1.31 1.67 7.27 -0.35 -4.89 117.38 117.73 1kkl n GLN 186 Ca 0.10 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.06 1kkl n GLN 186 Cb 0.52 0.00 0.06 0.00 2.41 0.00 0.00 30.24 33.23 1kkl n GLN 186 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1kkl n ASP 187 N -2.06 0.46 0.07 1.69 10.43 -1.16 -4.92 116.55 121.05 1kkl n ASP 187 Ca 0.00 -1.43 0.13 0.00 2.57 0.00 0.00 54.79 56.06 1kkl n ASP 187 Cb 0.00 -0.32 0.47 0.00 1.84 0.00 0.00 41.12 43.11 1kkl n ASP 187 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 1kkl n GLU 188 N -1.91 0.15 -0.28 -1.24 0.28 -1.26 -3.52 120.64 112.86 1kkl n GLU 188 Ca 0.07 0.18 0.01 0.00 -0.16 0.00 0.00 57.16 57.26 1kkl n GLU 188 Cb 0.26 -1.69 0.01 0.00 1.43 0.00 0.00 31.44 31.44 1kkl n GLU 188 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1kkl n GLN 189 N -1.96 0.21 -5.01 3.44 10.64 -1.26 -4.88 117.38 118.55 1kkl n GLN 189 Ca 0.05 -0.95 -0.29 0.00 -1.83 0.00 0.00 57.00 53.98 1kkl n GLN 189 Cb 0.35 -0.59 -0.17 0.00 -0.86 0.00 0.00 30.24 28.98 1kkl n GLN 189 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1kkl s THR 190 N -0.23 1.72 -0.03 -0.39 2.01 -1.23 -5.03 115.64 112.46 1kkl s THR 190 Ca 0.02 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1kkl s THR 190 Cb 0.02 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 1kkl s THR 190 CO 0.00 0.48 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.60 1kkl s ILE 191 N 0.18 1.55 -0.03 1.82 -1.09 -1.26 -1.21 121.20 121.16 1kkl s ILE 191 Ca -0.10 -0.81 0.07 0.00 -2.23 0.00 0.00 60.65 57.58 1kkl s ILE 191 Cb -0.15 -1.30 -0.02 0.00 -1.58 0.00 0.00 42.46 39.41 1kkl s ILE 191 CO 0.05 0.44 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.27 1kkl s VAL 192 N -0.24 1.86 0.26 2.92 1.01 -0.73 -0.82 120.40 124.66 1kkl s VAL 192 Ca 0.02 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.11 1kkl s VAL 192 Cb -0.10 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1kkl s VAL 192 CO 0.01 0.53 -0.17 -0.83 0.00 0.00 0.00 175.10 174.63 1kkl s GLY 193 N -0.42 1.76 0.23 4.51 0.00 -0.87 -1.44 107.32 111.10 1kkl s GLY 193 Ca 0.05 -1.82 -0.22 0.00 0.00 0.00 0.00 44.72 42.73 1kkl s GLY 193 CO 0.00 -1.90 0.89 0.00 0.00 0.00 0.00 173.10 172.09 1kkl s ALA 194 N -2.68 -1.37 -0.08 3.20 0.00 -0.63 -2.93 121.76 117.27 1kkl s ALA 194 Ca 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 1kkl s ALA 194 Cb -0.03 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1kkl s ALA 194 CO 0.12 -1.04 0.03 0.00 0.00 0.00 0.00 175.76 174.87 1kkl s ALA 195 N -3.01 3.39 0.36 0.00 0.00 -1.26 -1.24 121.76 120.00 1kkl s ALA 195 Ca 0.15 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 51.03 1kkl s ALA 195 Cb -0.03 -1.56 -0.11 0.00 0.00 0.00 0.00 23.12 21.42 1kkl s ALA 195 CO 0.06 0.60 1.49 -2.14 0.00 0.00 0.00 175.76 175.77 1kkl s PRO 196 N -0.97 4.12 0.34 0.00 0.02 -1.26 -4.70 135.00 132.56 1kkl s PRO 196 Ca 0.14 2.56 0.12 0.00 0.02 0.00 0.00 61.00 63.84 1kkl s PRO 196 Cb -0.11 -2.98 1.07 0.00 0.02 0.00 0.00 34.50 32.49 1kkl s PRO 196 CO 0.03 -0.53 1.57 -1.35 -0.33 0.00 0.00 177.00 176.39 1kkl h PRO 197 N 3.31 0.00 -0.11 5.54 0.11 -1.98 0.17 132.00 139.03 1kkl h PRO 197 Ca -0.50 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1kkl h PRO 197 Cb 1.24 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1kkl h PRO 197 CO 0.67 0.00 0.10 0.97 -0.21 0.00 0.00 178.00 179.53 1kkl h ILE 198 N 0.00 0.70 -0.01 4.15 2.10 -2.05 -2.25 117.51 120.15 1kkl h ILE 198 Ca 0.73 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.67 1kkl h ILE 198 Cb 1.76 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 38.42 1kkl h ILE 198 CO -0.85 0.00 -0.55 0.18 -1.08 0.00 0.00 178.15 175.84 1kkl n LEU 199 N -4.14 1.64 -4.62 2.19 4.77 0.56 -4.97 117.00 112.43 1kkl n LEU 199 Ca -0.00 -0.69 -0.56 0.00 -0.03 0.00 0.00 56.01 54.73 1kkl n LEU 199 Cb 0.21 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1kkl n LEU 199 CO 0.31 0.32 1.00 -0.24 -1.33 0.00 0.00 177.39 177.45 1kkl n SER 200 N -0.42 1.60 0.00 -1.43 2.88 -0.85 -0.89 113.62 114.52 1kkl n SER 200 Ca 0.07 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1kkl n SER 200 Cb 0.39 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 1kkl n SER 200 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1kkl n HIS 201 N 3.32 0.00 -3.38 0.66 8.25 -1.26 -5.01 115.22 117.80 1kkl n HIS 201 Ca 0.22 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.38 1kkl n HIS 201 Cb 0.14 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.05 1kkl n HIS 201 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1kkl s LEU 202 N 0.00 4.10 -0.01 2.41 1.43 -0.07 -2.02 118.68 124.52 1kkl s LEU 202 Ca 0.00 0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 53.86 1kkl s LEU 202 Cb 0.00 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.68 1kkl s LEU 202 CO 0.00 -0.14 0.02 -0.76 0.23 0.00 0.00 176.35 175.69 1kkl s LEU 203 N -3.28 1.53 -0.27 1.79 1.43 -0.27 -4.42 118.68 115.19 1kkl s LEU 203 Ca 0.45 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.51 1kkl s LEU 203 Cb -0.11 -0.03 -0.00 0.00 0.03 0.00 0.00 46.19 46.08 1kkl s LEU 203 CO 0.27 -0.06 0.04 -0.70 0.23 0.00 0.00 176.35 176.13 1kkl s GLU 204 N 0.53 3.27 -0.21 1.70 -6.30 -1.26 0.05 118.70 116.48 1kkl s GLU 204 Ca -0.04 -0.73 -0.00 0.00 -2.50 0.00 0.00 54.97 51.70 1kkl s GLU 204 Cb -0.06 -3.26 0.02 0.00 0.00 0.00 0.00 34.13 30.83 1kkl s GLU 204 CO -0.02 -0.33 -0.14 0.42 0.02 0.00 0.00 175.26 175.22 1kkl s ILE 205 N 1.51 2.45 -0.20 -3.70 1.01 0.44 -4.80 121.20 117.90 1kkl s ILE 205 Ca 0.04 -0.96 -0.41 0.00 0.00 0.00 0.00 60.65 59.33 1kkl s ILE 205 Cb -0.16 -2.14 -0.17 0.00 0.01 0.00 0.00 42.46 40.00 1kkl s ILE 205 CO 0.01 0.39 1.55 -2.11 0.00 0.00 0.00 174.94 174.78 1kkl n ARG 206 N 4.64 0.81 0.00 2.79 -4.01 -1.26 -0.81 116.66 118.82 1kkl n ARG 206 Ca -0.19 0.30 0.00 0.00 -1.04 0.00 0.00 57.85 56.92 1kkl n ARG 206 Cb 0.49 -1.92 0.00 0.00 -3.04 0.00 0.00 32.46 27.99 1kkl n ARG 206 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1kkl n GLY 207 N 3.47 3.00 0.14 2.89 0.00 -1.26 -4.76 105.19 108.67 1kkl n GLY 207 Ca 0.25 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 1kkl n GLY 207 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kkl h LEU 208 N 0.00 0.56 0.00 0.99 3.38 -1.41 -3.51 115.31 115.32 1kkl h LEU 208 Ca 0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1kkl h LEU 208 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1kkl h LEU 208 CO 0.00 1.79 0.00 0.61 0.09 0.00 0.00 178.44 180.93 1kkl n GLY 209 N 1.88 0.42 3.77 0.83 0.00 -0.21 -4.95 105.19 106.94 1kkl n GLY 209 Ca -0.26 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 1kkl n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkl s ILE 210 N 0.00 5.18 0.08 -0.61 1.09 -1.26 -0.42 121.20 125.26 1kkl s ILE 210 Ca 0.00 0.75 0.07 0.00 -1.10 0.00 0.00 60.65 60.37 1kkl s ILE 210 Cb 0.00 -3.70 -0.03 0.00 -1.06 0.00 0.00 42.46 37.67 1kkl s ILE 210 CO 0.00 0.45 -0.18 0.27 -0.10 0.00 0.00 174.94 175.38 1kkl s ILE 211 N -0.13 1.48 -0.41 2.92 -4.36 0.11 -4.97 121.20 115.84 1kkl s ILE 211 Ca 0.22 -1.39 -0.07 0.00 -0.26 0.00 0.00 60.65 59.14 1kkl s ILE 211 Cb -0.15 -1.35 0.08 0.00 1.25 0.00 0.00 42.46 42.29 1kkl s ILE 211 CO 0.09 -0.08 0.23 -0.62 0.24 0.00 0.00 174.94 174.80 1kkl s ASP 212 N -1.72 5.50 0.51 4.36 3.68 -1.26 -1.12 116.67 126.61 1kkl s ASP 212 Ca 0.04 -1.59 0.29 0.00 2.13 0.00 0.00 52.55 53.41 1kkl s ASP 212 Cb -0.10 -1.93 1.28 0.00 -1.45 0.00 0.00 42.92 40.72 1kkl s ASP 212 CO 0.03 -0.52 1.97 -0.37 0.13 0.00 0.00 175.17 176.42 1kkl h VAL 213 N 6.17 0.38 -0.10 1.11 -1.51 -1.78 -0.83 116.25 119.69 1kkl h VAL 213 Ca -0.21 -0.73 -0.13 0.00 -1.23 0.00 0.00 66.70 64.40 1kkl h VAL 213 Cb 1.07 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.76 1kkl h VAL 213 CO 0.73 0.12 -0.53 -0.03 -1.23 0.00 0.00 177.57 176.63 1kkl h MET 214 N 0.00 0.28 0.00 5.19 1.85 -1.81 0.16 114.93 120.60 1kkl h MET 214 Ca -0.00 -0.17 -0.15 0.00 -0.61 0.00 0.00 59.70 58.77 1kkl h MET 214 Cb 0.53 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.55 1kkl h MET 214 CO 0.02 0.74 -0.88 -0.97 -0.40 0.00 0.00 176.91 175.42 1kkl h ASN 215 N 0.22 0.00 0.38 1.39 -0.73 -1.65 -1.11 115.58 114.09 1kkl h ASN 215 Ca 0.01 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.07 1kkl h ASN 215 Cb 1.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.57 1kkl h ASN 215 CO 0.08 0.62 -1.72 0.18 -0.37 0.00 0.00 177.43 176.22 1kkl n LEU 216 N -3.14 0.39 0.00 0.34 4.77 -0.40 -4.60 117.00 114.35 1kkl n LEU 216 Ca -0.02 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1kkl n LEU 216 Cb 0.81 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1kkl n LEU 216 CO 0.42 0.09 0.04 0.49 -1.33 0.00 0.00 177.39 177.11 1kkl n PHE 217 N -2.59 0.00 0.00 -1.77 3.01 0.56 -5.07 117.46 111.60 1kkl n PHE 217 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1kkl n PHE 217 Cb 0.74 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.21 1kkl n PHE 217 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kkl n GLY 218 N 0.48 -0.74 0.43 1.37 0.00 -0.42 -4.45 105.19 101.86 1kkl n GLY 218 Ca 0.00 -1.72 0.24 0.00 0.00 0.00 0.00 46.02 44.54 1kkl n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkl h ALA 219 N 0.00 2.46 0.00 4.61 0.00 -1.91 -1.19 119.26 123.23 1kkl h ALA 219 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kkl h ALA 219 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1kkl h ALA 219 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 179.25 178.89 1kkl n GLY 220 N -1.58 -0.42 0.12 0.00 0.00 -1.26 -2.42 105.19 99.63 1kkl n GLY 220 Ca 0.21 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1kkl n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkl n ALA 221 N -1.08 3.82 -2.50 4.61 0.00 -0.45 -4.60 120.51 120.31 1kkl n ALA 221 Ca 0.07 -0.48 -0.24 0.00 0.00 0.00 0.00 53.44 52.80 1kkl n ALA 221 Cb 0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 1kkl n ALA 221 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1kkl s VAL 222 N -2.34 1.30 -0.28 0.00 -7.23 -1.02 -0.09 120.40 110.75 1kkl s VAL 222 Ca 0.08 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.06 1kkl s VAL 222 Cb 0.12 -2.78 0.09 0.00 0.56 0.00 0.00 36.38 34.38 1kkl s VAL 222 CO 0.58 0.00 0.76 -0.60 -0.31 0.00 0.00 175.10 175.53 1kkl s ARG 223 N -3.84 0.69 0.27 4.82 3.52 -1.11 -4.76 118.95 118.54 1kkl s ARG 223 Ca 0.34 1.05 -0.00 0.00 -0.13 0.00 0.00 55.73 56.99 1kkl s ARG 223 Cb 0.08 0.21 0.52 0.00 -1.56 0.00 0.00 34.95 34.20 1kkl s ARG 223 CO 0.15 -0.12 1.82 1.05 -0.81 0.00 0.00 175.30 177.39 1kkl h GLU 224 N 6.12 0.88 0.00 5.12 -0.00 -1.92 -3.40 114.58 121.38 1kkl h GLU 224 Ca -0.29 -0.05 0.11 0.00 -0.00 0.00 0.00 59.36 59.12 1kkl h GLU 224 Cb 1.20 -0.20 -0.02 0.00 -0.00 0.00 0.00 28.75 29.73 1kkl h GLU 224 CO 0.13 0.58 0.42 -0.40 -0.00 0.00 0.00 179.01 179.74 1kkl n ASP 225 N -4.67 -1.34 -3.61 3.06 3.85 -1.26 -4.43 116.55 108.14 1kkl n ASP 225 Ca 0.18 -1.72 -0.07 0.00 -0.71 0.00 0.00 54.79 52.46 1kkl n ASP 225 Cb 0.35 2.18 -0.05 0.00 -1.35 0.00 0.00 41.12 42.24 1kkl n ASP 225 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1kkl s THR 226 N -2.20 0.00 0.30 2.12 -1.32 -1.15 -5.02 115.64 108.37 1kkl s THR 226 Ca 0.17 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.36 1kkl s THR 226 Cb -0.02 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.87 1kkl s THR 226 CO 0.05 0.00 1.12 0.42 -2.21 0.00 0.00 174.62 174.00 1kkl s THR 227 N -0.79 3.40 -0.31 5.08 -4.23 -1.26 -2.05 115.64 115.48 1kkl s THR 227 Ca 0.03 1.37 -0.24 0.00 -1.18 0.00 0.00 61.69 61.67 1kkl s THR 227 Cb -0.02 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1kkl s THR 227 CO -0.04 0.30 0.83 -0.63 -0.54 0.00 0.00 174.62 174.54 1kkl s ILE 228 N -1.20 4.76 -0.25 2.99 1.01 0.00 -3.48 121.20 125.03 1kkl s ILE 228 Ca 0.46 1.27 0.04 0.00 0.00 0.00 0.00 60.65 62.42 1kkl s ILE 228 Cb -0.32 -4.18 -0.18 0.00 0.01 0.00 0.00 42.46 37.79 1kkl s ILE 228 CO 0.41 -0.28 -0.19 -1.20 0.00 0.00 0.00 174.94 173.69 1kkl n SER 229 N 6.29 1.79 -4.08 3.58 7.64 0.12 -4.66 113.62 124.31 1kkl n SER 229 Ca 0.05 -0.12 -0.14 0.00 1.01 0.00 0.00 58.87 59.67 1kkl n SER 229 Cb 0.48 -0.22 -0.11 0.00 -1.01 0.00 0.00 64.21 63.34 1kkl n SER 229 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1kkl s LEU 230 N -6.35 2.26 -0.14 -3.43 2.96 -0.68 -4.13 118.68 109.17 1kkl s LEU 230 Ca -0.31 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.06 1kkl s LEU 230 Cb 0.08 -0.21 0.01 0.00 0.50 0.00 0.00 46.19 46.58 1kkl s LEU 230 CO 0.61 -0.19 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.62 1kkl s ILE 231 N -1.36 1.95 -0.27 6.68 1.01 0.46 -0.61 121.20 129.05 1kkl s ILE 231 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1kkl s ILE 231 Cb -0.10 -1.74 0.05 0.00 0.01 0.00 0.00 42.46 40.68 1kkl s ILE 231 CO 0.01 0.53 -0.07 -0.69 0.00 0.00 0.00 174.94 174.72 1kkl s VAL 232 N 0.95 2.58 -0.22 2.92 1.01 -0.30 -0.59 120.40 126.74 1kkl s VAL 232 Ca -0.05 -1.42 -0.14 0.00 0.00 0.00 0.00 61.98 60.38 1kkl s VAL 232 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1kkl s VAL 232 CO -0.04 -0.00 0.30 -2.28 0.00 0.00 0.00 175.10 173.08 1kkl s HIS 233 N 1.20 3.33 -0.66 5.22 2.46 0.40 -1.55 115.29 125.69 1kkl s HIS 233 Ca -0.06 0.43 -0.19 0.00 0.47 0.00 0.00 55.06 55.71 1kkl s HIS 233 Cb -0.19 -2.42 0.11 0.00 -0.13 0.00 0.00 32.58 29.94 1kkl s HIS 233 CO -0.04 -0.00 0.82 -0.51 -2.47 0.00 0.00 174.74 172.53 1kkl s LEU 234 N 1.29 5.22 -0.14 8.88 1.43 -0.09 -1.75 118.68 133.51 1kkl s LEU 234 Ca 0.14 -1.50 -0.12 0.00 -1.03 0.00 0.00 54.13 51.62 1kkl s LEU 234 Cb -0.14 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1kkl s LEU 234 CO 0.07 -1.15 0.26 -0.70 0.23 0.00 0.00 176.35 175.06 1kkl s GLU 235 N 2.82 4.09 0.04 1.70 2.56 -0.94 -4.40 118.70 124.58 1kkl s GLU 235 Ca 0.17 0.05 -0.30 0.00 0.00 0.00 0.00 54.97 54.88 1kkl s GLU 235 Cb -0.19 -3.37 -0.08 0.00 2.00 0.00 0.00 34.13 32.49 1kkl s GLU 235 CO 0.04 0.37 1.71 1.21 -0.56 0.00 0.00 175.26 178.04 1kkl s ASN 236 N 0.07 6.58 0.14 -1.70 2.47 -1.26 -1.61 114.94 119.64 1kkl s ASN 236 Ca 0.16 2.47 -0.34 0.00 0.42 0.00 0.00 52.86 55.56 1kkl s ASN 236 Cb -0.13 -2.55 -0.15 0.00 -1.45 0.00 0.00 41.25 36.97 1kkl s ASN 236 CO 0.04 -0.93 1.35 1.87 -3.72 0.00 0.00 177.10 175.71 1kkl n TRP 237 N 6.29 1.69 -3.66 0.43 -0.00 -0.93 -4.80 117.44 116.47 1kkl n TRP 237 Ca 0.17 0.55 -0.09 0.00 -0.00 0.00 0.00 57.50 58.13 1kkl n TRP 237 Cb 0.41 -2.38 -0.08 0.00 -0.00 0.00 0.00 31.31 29.26 1kkl n TRP 237 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 1kkl s THR 238 N 0.32 -0.01 -0.82 5.87 -1.32 -1.26 -4.97 115.64 113.45 1kkl s THR 238 Ca 0.78 0.02 -0.12 0.00 -1.21 0.00 0.00 61.69 61.16 1kkl s THR 238 Cb -0.83 -0.88 -0.25 0.00 -1.51 0.00 0.00 72.50 69.03 1kkl s THR 238 CO 0.47 0.01 2.06 -2.65 -2.21 0.00 0.00 174.62 172.29 1kkl n PRO 239 N 4.10 0.13 0.00 7.08 -0.02 -1.26 -5.22 135.00 139.80 1kkl n PRO 239 Ca -0.20 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 1kkl n PRO 239 Cb 0.58 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1kkl n PRO 239 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kkl n GLY 249 N 5.69 -2.98 3.65 -1.23 0.00 -1.26 -5.31 105.19 103.76 1kkl n GLY 249 Ca 0.53 -1.85 -0.45 0.00 0.00 0.00 0.00 46.02 44.25 1kkl n GLY 249 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1kkl n GLU 250 N -0.28 1.85 -3.64 1.61 -0.00 -1.26 -4.98 120.64 113.94 1kkl n GLU 250 Ca 0.00 0.66 -0.10 0.00 -0.00 0.00 0.00 57.16 57.72 1kkl n GLU 250 Cb 0.00 -2.23 -0.07 0.00 -0.00 0.00 0.00 31.44 29.14 1kkl n GLU 250 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 1kkl s GLN 251 N -0.99 0.55 -0.01 3.44 0.74 -1.26 -5.09 119.66 117.04 1kkl s GLN 251 Ca 0.64 0.68 -0.07 0.00 0.05 0.00 0.00 55.36 56.65 1kkl s GLN 251 Cb -0.66 0.26 0.01 0.00 1.10 0.00 0.00 33.01 33.72 1kkl s GLN 251 CO 0.55 -0.07 0.15 0.95 -0.55 0.00 0.00 175.29 176.32 1kkl s THR 252 N 0.33 0.07 -0.07 -0.34 -4.23 -1.26 -0.89 115.64 109.24 1kkl s THR 252 Ca 0.02 -0.54 0.03 0.00 -1.18 0.00 0.00 61.69 60.02 1kkl s THR 252 Cb -0.05 -0.40 -0.02 0.00 1.34 0.00 0.00 72.50 73.37 1kkl s THR 252 CO -0.06 -0.30 -0.15 -1.58 -0.54 0.00 0.00 174.62 171.99 1kkl s GLN 253 N -1.08 2.68 -0.40 3.99 0.74 0.80 -4.85 119.66 121.54 1kkl s GLN 253 Ca -0.12 -0.72 -0.15 0.00 0.05 0.00 0.00 55.36 54.42 1kkl s GLN 253 Cb -0.06 -2.40 0.02 0.00 1.10 0.00 0.00 33.01 31.66 1kkl s GLN 253 CO 0.01 0.51 0.31 -0.48 -0.55 0.00 0.00 175.29 175.10 1kkl s LEU 254 N -0.45 5.01 -0.19 3.68 2.34 -1.26 -0.11 118.68 127.70 1kkl s LEU 254 Ca 0.05 -0.81 -0.19 0.00 0.06 0.00 0.00 54.13 53.25 1kkl s LEU 254 Cb -0.12 -2.19 -0.03 0.00 -0.56 0.00 0.00 46.19 43.29 1kkl s LEU 254 CO 0.02 -0.44 0.52 -0.63 -1.06 0.00 0.00 176.35 174.76 1kkl s ILE 255 N 1.75 5.11 -1.48 1.48 1.09 -1.04 -4.17 121.20 123.93 1kkl s ILE 255 Ca 0.06 0.98 -0.10 0.00 -1.10 0.00 0.00 60.65 60.49 1kkl s ILE 255 Cb -0.19 -3.85 0.06 0.00 -1.06 0.00 0.00 42.46 37.43 1kkl s ILE 255 CO 0.11 0.19 0.87 0.49 -0.10 0.00 0.00 174.94 176.50 1kkl n PHE 256 N 4.65 -2.14 -2.71 3.97 3.72 -1.26 -2.41 117.46 121.28 1kkl n PHE 256 Ca -0.05 0.88 -0.15 0.00 -0.05 0.00 0.00 57.45 58.07 1kkl n PHE 256 Cb 0.50 -4.03 0.02 0.00 -0.94 0.00 0.00 39.48 35.04 1kkl n PHE 256 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1kkl n ASP 257 N -2.89 -4.71 -3.57 4.37 2.03 -1.26 -4.90 116.55 105.61 1kkl n ASP 257 Ca -0.07 -0.17 -0.10 0.00 0.52 0.00 0.00 54.79 54.97 1kkl n ASP 257 Cb 0.57 -3.62 -0.10 0.00 -0.72 0.00 0.00 41.12 37.25 1kkl n ASP 257 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1kkl s VAL 258 N -2.94 -0.58 -0.22 5.18 0.11 -1.01 -5.03 120.40 115.90 1kkl s VAL 258 Ca 0.18 0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 59.05 1kkl s VAL 258 Cb -0.08 -0.66 -0.07 0.00 -1.53 0.00 0.00 36.38 34.05 1kkl s VAL 258 CO 0.22 0.02 2.19 -0.81 -3.33 0.00 0.00 175.10 173.39 1kkl n PRO 259 N 5.37 1.85 -4.19 1.54 -0.04 -1.26 -2.51 135.00 135.77 1kkl n PRO 259 Ca -0.07 0.53 -0.34 0.00 -0.04 0.00 0.00 63.50 63.58 1kkl n PRO 259 Cb 0.50 -3.05 -0.11 0.00 -0.04 0.00 0.00 33.50 30.79 1kkl n PRO 259 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1kkl s VAL 260 N 7.74 4.23 0.27 0.52 1.01 0.84 -4.92 120.40 130.10 1kkl s VAL 260 Ca 1.02 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1kkl s VAL 260 Cb -0.46 -2.89 -0.11 0.00 0.00 0.00 0.00 36.38 32.92 1kkl s VAL 260 CO 0.39 0.47 1.63 -2.84 0.00 0.00 0.00 175.10 174.74 1kkl s PRO 261 N 0.50 4.12 0.07 2.72 0.02 -1.26 -0.14 135.00 141.04 1kkl s PRO 261 Ca -0.00 2.59 0.05 0.00 0.02 0.00 0.00 61.00 63.65 1kkl s PRO 261 Cb -0.14 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 1kkl s PRO 261 CO 0.02 -0.67 -0.14 0.21 -0.33 0.00 0.00 177.00 176.09 1kkl s LYS 262 N -0.08 0.84 0.04 5.54 2.20 -0.07 -0.41 119.74 127.80 1kkl s LYS 262 Ca 0.66 -0.95 0.02 0.00 -0.36 0.00 0.00 55.97 55.34 1kkl s LYS 262 Cb -0.48 -0.85 -0.02 0.00 -1.51 0.00 0.00 37.83 34.96 1kkl s LYS 262 CO 0.44 0.19 -0.07 0.96 -0.36 0.00 0.00 175.35 176.51 1kkl s ILE 263 N -1.25 0.46 -0.18 5.43 -4.36 0.24 -4.46 121.20 117.09 1kkl s ILE 263 Ca -0.02 -1.07 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 1kkl s ILE 263 Cb -0.10 -0.57 0.02 0.00 1.25 0.00 0.00 42.46 43.06 1kkl s ILE 263 CO 0.02 -0.42 -0.19 -0.89 0.24 0.00 0.00 174.94 173.71 1kkl s THR 264 N -1.45 2.17 -0.08 8.37 2.01 -1.26 -0.45 115.64 124.95 1kkl s THR 264 Ca -0.11 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1kkl s THR 264 Cb -0.10 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1kkl s THR 264 CO 0.00 0.52 -0.07 0.68 -0.69 0.00 0.00 174.62 175.06 1kkl s VAL 265 N 1.30 3.71 0.10 3.82 -7.23 -0.72 -4.96 120.40 116.42 1kkl s VAL 265 Ca 0.05 -0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 1kkl s VAL 265 Cb -0.13 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 1kkl s VAL 265 CO -0.12 0.59 0.94 -2.16 -0.31 0.00 0.00 175.10 174.04 1kkl s PRO 266 N -0.70 4.67 -0.33 4.82 0.04 -1.26 -2.20 135.00 140.03 1kkl s PRO 266 Ca 0.11 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.33 1kkl s PRO 266 Cb -0.11 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1kkl s PRO 266 CO 0.02 0.21 0.73 0.08 0.04 0.00 0.00 177.00 178.07 1kkl s VAL 267 N 0.04 4.82 -0.07 -0.36 1.01 -0.63 -4.80 120.40 120.41 1kkl s VAL 267 Ca 0.46 0.94 -0.14 0.00 0.00 0.00 0.00 61.98 63.25 1kkl s VAL 267 Cb -0.23 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.06 1kkl s VAL 267 CO 0.29 -0.28 0.33 -0.75 0.00 0.00 0.00 175.10 174.69 1kkl s LYS 268 N 2.88 0.54 0.16 2.72 2.20 -1.26 -2.18 119.74 124.80 1kkl s LYS 268 Ca 0.29 0.15 -0.32 0.00 -0.36 0.00 0.00 55.97 55.73 1kkl s LYS 268 Cb -0.14 0.25 -0.17 0.00 -1.51 0.00 0.00 37.83 36.26 1kkl s LYS 268 CO 0.14 -0.12 0.88 1.33 -0.36 0.00 0.00 175.35 177.22 1kkl n VAL 269 N 2.08 1.26 0.00 4.02 0.24 -1.26 -1.79 118.33 122.88 1kkl n VAL 269 Ca -0.17 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1kkl n VAL 269 Cb 0.57 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1kkl n VAL 269 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kkl n GLY 270 N 1.80 2.96 3.73 7.63 0.00 -1.26 -5.03 105.19 115.03 1kkl n GLY 270 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1kkl n GLY 270 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkl s ARG 271 N -0.58 4.71 -0.67 1.61 1.81 -0.74 -4.99 118.95 120.09 1kkl s ARG 271 Ca 0.00 1.48 -0.15 0.00 -1.72 0.00 0.00 55.73 55.34 1kkl s ARG 271 Cb 0.00 -3.35 0.17 0.00 -0.45 0.00 0.00 34.95 31.32 1kkl s ARG 271 CO 0.00 0.25 0.62 1.21 -0.68 0.00 0.00 175.30 176.70 1kkl s ASN 272 N -0.20 6.45 0.25 0.23 3.84 -1.26 -4.91 114.94 119.34 1kkl s ASN 272 Ca 0.46 -2.21 -0.03 0.00 0.21 0.00 0.00 52.86 51.30 1kkl s ASN 272 Cb -0.24 -2.21 0.47 0.00 -0.55 0.00 0.00 41.25 38.72 1kkl s ASN 272 CO 0.31 -0.73 1.78 -0.07 -2.79 0.00 0.00 177.10 175.60 1kkl h LEU 273 N 8.37 0.56 -0.80 3.21 3.38 -1.96 -2.14 115.31 125.93 1kkl h LEU 273 Ca -0.11 0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1kkl h LEU 273 Cb 1.07 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1kkl h LEU 273 CO 0.91 0.27 0.50 0.00 0.09 0.00 0.00 178.44 180.21 1kkl h ALA 274 N 1.51 1.06 -0.63 1.53 0.00 -1.92 -1.60 119.26 119.23 1kkl h ALA 274 Ca 0.43 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 1kkl h ALA 274 Cb 0.54 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1kkl h ALA 274 CO -0.32 0.29 0.17 0.82 0.00 0.00 0.00 179.25 180.20 1kkl h ILE 275 N 0.96 1.25 -0.34 0.00 1.08 -1.80 -1.28 117.51 117.38 1kkl h ILE 275 Ca 0.33 -0.90 -0.11 0.00 -0.39 0.00 0.00 64.86 63.79 1kkl h ILE 275 Cb 0.07 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1kkl h ILE 275 CO -0.13 0.34 -0.21 0.40 -0.69 0.00 0.00 178.15 177.86 1kkl h ILE 276 N 0.91 1.29 -0.53 -0.67 2.04 -1.19 -1.39 117.51 117.97 1kkl h ILE 276 Ca 0.20 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 1kkl h ILE 276 Cb 0.34 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1kkl h ILE 276 CO -0.00 0.44 0.10 0.40 0.00 0.00 0.00 178.15 179.09 1kkl h ILE 277 N 0.51 1.25 -0.51 -0.67 5.03 -1.29 0.22 117.51 122.05 1kkl h ILE 277 Ca 0.07 -0.93 0.01 0.00 -0.12 0.00 0.00 64.86 63.89 1kkl h ILE 277 Cb 0.76 0.83 -0.03 0.00 -3.03 0.00 0.00 36.82 35.35 1kkl h ILE 277 CO 0.06 0.34 0.34 -0.08 -0.68 0.00 0.00 178.15 178.12 1kkl h GLU 278 N 0.76 0.67 -0.12 2.37 4.81 -1.15 -1.15 114.58 120.77 1kkl h GLU 278 Ca 0.16 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 1kkl h GLU 278 Cb 0.39 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1kkl h GLU 278 CO 0.01 0.45 -0.48 0.28 -0.73 0.00 0.00 179.01 178.54 1kkl h VAL 279 N 0.69 1.33 -0.65 0.32 2.07 -0.91 -0.86 116.25 118.25 1kkl h VAL 279 Ca 0.19 -1.68 0.05 0.00 0.82 0.00 0.00 66.70 66.07 1kkl h VAL 279 Cb -0.08 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1kkl h VAL 279 CO -0.04 0.51 0.37 0.00 0.02 0.00 0.00 177.57 178.43 1kkl h ALA 280 N 1.26 0.86 -0.18 1.67 0.00 0.09 0.74 119.26 123.69 1kkl h ALA 280 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1kkl h ALA 280 Cb 0.93 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1kkl h ALA 280 CO 0.08 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 1kkl h ALA 281 N 1.32 0.24 -0.75 0.00 0.00 -0.96 -0.72 119.26 118.39 1kkl h ALA 281 Ca 0.28 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1kkl h ALA 281 Cb 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1kkl h ALA 281 CO -0.15 -0.00 0.43 1.98 0.00 0.00 0.00 179.25 181.50 1kkl h MET 282 N 0.06 0.73 -0.34 0.00 -1.53 -0.39 0.87 114.93 114.33 1kkl h MET 282 Ca 0.05 -0.04 -0.17 0.00 -3.44 0.00 0.00 59.70 56.09 1kkl h MET 282 Cb 0.46 -0.17 -0.00 0.00 -0.55 0.00 0.00 31.60 31.34 1kkl h MET 282 CO 0.02 0.49 -0.45 -0.97 0.14 0.00 0.00 176.91 176.13 1kkl h ASN 283 N 0.76 0.98 -0.02 1.39 -0.73 0.57 -1.66 115.58 116.87 1kkl h ASN 283 Ca 0.35 -0.50 0.02 0.00 1.87 0.00 0.00 56.30 58.04 1kkl h ASN 283 Cb 0.26 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 1kkl h ASN 283 CO -0.21 1.28 -0.11 0.15 -0.37 0.00 0.00 177.43 178.18 1kkl h PHE 284 N 0.71 -0.27 -0.62 0.67 3.57 -0.43 -0.49 116.94 120.09 1kkl h PHE 284 Ca 0.04 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1kkl h PHE 284 Cb 1.05 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 1kkl h PHE 284 CO 0.07 -0.16 0.32 -0.09 -2.23 0.00 0.00 178.31 176.22 1kkl h ARG 285 N -0.17 0.58 -0.96 1.11 2.43 -0.76 -2.00 114.38 114.61 1kkl h ARG 285 Ca 0.05 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1kkl h ARG 285 Cb 0.23 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1kkl h ARG 285 CO -0.12 0.39 0.63 0.00 -1.51 0.00 0.00 179.97 179.36 1kkl h ALA 286 N 1.34 1.27 0.00 2.80 0.00 -0.51 -0.59 119.26 123.56 1kkl h ALA 286 Ca 0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1kkl h ALA 286 Cb 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1kkl h ALA 286 CO -0.19 0.53 -0.20 0.87 0.00 0.00 0.00 179.25 180.26 1kkl h LYS 287 N 1.23 0.00 -0.27 0.00 1.57 -0.40 -0.04 116.57 118.65 1kkl h LYS 287 Ca 0.38 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.00 1kkl h LYS 287 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1kkl h LYS 287 CO -0.11 0.20 -0.47 0.77 -0.57 0.00 0.00 179.45 179.27 1kkl h SER 288 N 0.00 0.79 0.11 0.86 0.02 -0.62 -2.56 113.55 112.15 1kkl h SER 288 Ca -0.00 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1kkl h SER 288 Cb 0.40 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1kkl h SER 288 CO 0.03 1.13 0.00 0.23 -1.14 0.00 0.00 176.83 177.07 1kkl n MET 289 N -4.01 0.66 -0.03 3.45 2.81 -0.57 -4.85 117.12 114.58 1kkl n MET 289 Ca -0.03 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1kkl n MET 289 Cb 0.57 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.58 1kkl n MET 289 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kkl n GLY 290 N 0.59 0.99 3.12 3.03 0.00 -0.92 -5.06 105.19 106.94 1kkl n GLY 290 Ca 0.17 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1kkl n GLY 290 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kkl s TYR 291 N -2.00 3.46 -0.48 1.61 1.51 -0.14 -4.98 117.35 116.34 1kkl s TYR 291 Ca 0.00 -2.56 -0.11 0.00 -1.01 0.00 0.00 57.07 53.39 1kkl s TYR 291 Cb 0.00 -3.27 0.12 0.00 -0.11 0.00 0.00 41.96 38.70 1kkl s TYR 291 CO 0.00 -0.88 0.38 0.34 -1.11 0.00 0.00 175.55 174.28 1kkl s ASP 292 N 1.09 5.82 0.32 2.29 3.68 -1.26 -3.36 116.67 125.25 1kkl s ASP 292 Ca 0.15 -1.84 0.01 0.00 2.13 0.00 0.00 52.55 53.00 1kkl s ASP 292 Cb -0.20 -2.06 0.56 0.00 -1.45 0.00 0.00 42.92 39.77 1kkl s ASP 292 CO -0.04 -0.72 1.94 0.00 0.13 0.00 0.00 175.17 176.48 1kkl h ALA 293 N 8.56 1.54 0.43 3.66 0.00 -1.96 -1.27 119.26 130.21 1kkl h ALA 293 Ca -0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1kkl h ALA 293 Cb 1.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1kkl h ALA 293 CO 0.90 0.36 -0.20 1.15 0.00 0.00 0.00 179.25 181.45 1kkl h THR 294 N 0.98 0.50 -0.89 0.00 2.02 -1.99 -0.97 112.91 112.56 1kkl h THR 294 Ca 0.35 -0.47 0.06 0.00 0.77 0.00 0.00 66.41 67.12 1kkl h THR 294 Cb 0.13 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 1kkl h THR 294 CO -0.12 0.07 0.58 0.11 0.37 0.00 0.00 175.52 176.54 1kkl h LYS 295 N -0.88 0.98 -0.38 6.66 1.57 -1.96 0.21 116.57 122.76 1kkl h LYS 295 Ca -0.06 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.52 1kkl h LYS 295 Cb 0.56 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1kkl h LYS 295 CO 0.10 0.65 -0.31 1.15 -0.57 0.00 0.00 179.45 180.46 1kkl h THR 296 N 1.01 1.28 -0.13 -0.16 2.02 -1.21 -2.40 112.91 113.31 1kkl h THR 296 Ca 0.38 -1.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.06 1kkl h THR 296 Cb 0.21 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1kkl h THR 296 CO -0.14 0.49 -0.05 0.15 0.37 0.00 0.00 175.52 176.34 1kkl h PHE 297 N 0.71 0.29 -0.51 3.16 3.04 -0.23 -1.30 116.94 122.11 1kkl h PHE 297 Ca 0.08 -0.07 0.06 0.00 3.98 0.00 0.00 57.97 62.02 1kkl h PHE 297 Cb 0.87 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 1kkl h PHE 297 CO 0.05 0.58 0.34 0.93 -2.02 0.00 0.00 178.31 178.19 1kkl h GLU 298 N -0.08 0.44 -0.13 1.11 5.08 -0.99 0.88 114.58 120.89 1kkl h GLU 298 Ca 0.03 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1kkl h GLU 298 Cb 0.50 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1kkl h GLU 298 CO 0.02 0.29 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.06 1kkl h LYS 299 N 0.45 0.25 -0.27 2.33 3.64 -1.22 -0.80 116.57 120.95 1kkl h LYS 299 Ca 0.22 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1kkl h LYS 299 Cb 0.29 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1kkl h LYS 299 CO -0.06 0.55 -0.06 -0.91 -2.27 0.00 0.00 179.45 176.70 1kkl h ASN 300 N -0.07 0.40 -0.44 4.20 2.35 0.16 -0.77 115.58 121.41 1kkl h ASN 300 Ca 0.03 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 1kkl h ASN 300 Cb 0.46 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1kkl h ASN 300 CO 0.01 0.52 -0.01 0.25 -1.65 0.00 0.00 177.43 176.55 1kkl h LEU 301 N 0.41 0.77 -0.44 1.61 5.85 0.86 0.65 115.31 125.01 1kkl h LEU 301 Ca 0.09 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1kkl h LEU 301 Cb 0.37 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1kkl h LEU 301 CO 0.02 0.90 0.20 0.78 -0.34 0.00 0.00 178.44 179.99 1kkl h ASN 302 N 0.62 0.59 -0.30 1.25 -0.26 -0.48 0.68 115.58 117.68 1kkl h ASN 302 Ca 0.12 -0.14 -0.05 0.00 -0.56 0.00 0.00 56.30 55.67 1kkl h ASN 302 Cb 0.51 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.60 1kkl h ASN 302 CO 0.03 0.56 0.04 0.45 -1.06 0.00 0.00 177.43 177.44 1kkl h HIS 303 N 0.57 0.62 -0.11 1.19 3.86 -0.98 -1.92 115.15 118.38 1kkl h HIS 303 Ca 0.15 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1kkl h HIS 303 Cb 0.14 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1kkl h HIS 303 CO -0.01 0.57 -0.07 1.25 0.86 0.00 0.00 177.93 180.54 1kkl h LEU 304 N 0.58 0.25 -2.21 2.43 5.85 -0.12 -2.82 115.31 119.27 1kkl h LEU 304 Ca 0.13 -0.44 0.06 0.00 0.84 0.00 0.00 57.88 58.46 1kkl h LEU 304 Cb 0.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1kkl h LEU 304 CO 0.01 0.64 0.20 0.40 -0.34 0.00 0.00 178.44 179.35 1kkl h ILE 305 N -0.14 0.51 -0.08 4.05 1.08 0.70 -3.25 117.51 120.39 1kkl h ILE 305 Ca 0.02 0.00 -0.57 0.00 -0.39 0.00 0.00 64.86 63.92 1kkl h ILE 305 Cb 0.55 0.84 0.05 0.00 -3.07 0.00 0.00 36.82 35.20 1kkl h ILE 305 CO 0.02 0.00 1.86 -0.62 -0.69 0.00 0.00 178.15 178.72 1kkl n GLU 306 N -3.87 1.21 -3.29 2.37 1.02 -0.75 -4.78 120.64 112.53 1kkl n GLU 306 Ca 0.02 -1.79 -0.47 0.00 -0.02 0.00 0.00 57.16 54.90 1kkl n GLU 306 Cb 0.33 -3.01 -0.03 0.00 -0.02 0.00 0.00 31.44 28.71 1kkl n GLU 306 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1kkl s HIS 307 N 6.74 3.62 0.01 -0.32 3.76 -1.23 -4.91 115.29 122.95 1kkl s HIS 307 Ca 0.62 -1.81 -0.15 0.00 -0.15 0.00 0.00 55.06 53.57 1kkl s HIS 307 Cb 0.12 -3.85 -0.08 0.00 1.11 0.00 0.00 32.58 29.87 1kkl s HIS 307 CO 0.16 -1.04 0.92 -0.91 -0.85 0.00 0.00 174.74 173.03 1kkl h ASN 308 N 8.06 -0.45 0.00 1.40 -0.26 -1.93 -3.55 115.58 118.85 1kkl h ASN 308 Ca 0.03 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1kkl h ASN 308 Cb 1.05 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 1kkl h ASN 308 CO 0.83 -0.24 0.00 1.21 -1.06 0.00 0.00 177.43 178.17