#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ck4 n GLN 146 N 0.00 0.89 -3.68 1.09 7.27 -1.26 -2.43 117.38 119.27 1ck4 n GLN 146 Ca 0.00 0.27 -0.09 0.00 0.07 0.00 0.00 57.00 57.24 1ck4 n GLN 146 Cb 0.00 -2.19 -0.10 0.00 2.41 0.00 0.00 30.24 30.36 1ck4 n GLN 146 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1ck4 s LEU 147 N 6.17 -0.31 -0.26 1.69 2.96 -1.26 -4.44 118.68 123.22 1ck4 s LEU 147 Ca 1.09 1.02 -0.12 0.00 -0.22 0.00 0.00 54.13 55.90 1ck4 s LEU 147 Cb -1.03 1.54 -0.05 0.00 0.50 0.00 0.00 46.19 47.15 1ck4 s LEU 147 CO 0.56 -0.21 0.24 -1.81 -1.32 0.00 0.00 176.35 173.82 1ck4 s ASP 148 N 1.58 6.12 -0.10 3.68 1.01 -0.80 0.22 116.67 128.38 1ck4 s ASP 148 Ca -0.09 0.12 0.02 0.00 0.71 0.00 0.00 52.55 53.31 1ck4 s ASP 148 Cb -0.08 -2.15 0.01 0.00 1.01 0.00 0.00 42.92 41.72 1ck4 s ASP 148 CO -0.14 -0.06 -0.14 -0.63 0.21 0.00 0.00 175.17 174.40 1ck4 s ILE 149 N 1.68 1.39 -0.16 0.77 1.01 -0.48 -0.55 121.20 124.86 1ck4 s ILE 149 Ca 0.10 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.16 1ck4 s ILE 149 Cb -0.15 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.04 1ck4 s ILE 149 CO 0.09 0.42 -0.14 -0.69 0.00 0.00 0.00 174.94 174.62 1ck4 s VAL 150 N 0.91 2.74 -0.08 2.92 1.01 -0.10 -1.84 120.40 125.95 1ck4 s VAL 150 Ca -0.09 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1ck4 s VAL 150 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1ck4 s VAL 150 CO 0.00 0.51 0.54 -0.63 0.00 0.00 0.00 175.10 175.52 1ck4 s ILE 151 N 0.80 5.10 -0.61 2.22 1.09 -0.69 -1.26 121.20 127.86 1ck4 s ILE 151 Ca -0.05 1.10 -0.02 0.00 -1.10 0.00 0.00 60.65 60.58 1ck4 s ILE 151 Cb -0.15 -3.88 0.16 0.00 -1.06 0.00 0.00 42.46 37.53 1ck4 s ILE 151 CO 0.00 0.34 0.41 -0.69 -0.10 0.00 0.00 174.94 174.90 1ck4 s VAL 152 N 0.44 3.54 -0.26 2.92 1.01 -0.12 -1.36 120.40 126.57 1ck4 s VAL 152 Ca 0.29 -3.01 -0.16 0.00 0.00 0.00 0.00 61.98 59.10 1ck4 s VAL 152 Cb -0.16 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1ck4 s VAL 152 CO 0.13 -0.86 0.42 -0.22 0.00 0.00 0.00 175.10 174.57 1ck4 s LEU 153 N -0.10 4.06 -0.16 3.92 2.96 -0.24 -1.49 118.68 127.63 1ck4 s LEU 153 Ca 0.17 0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 54.18 1ck4 s LEU 153 Cb -0.21 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 1ck4 s LEU 153 CO -0.03 -0.20 1.28 -0.62 -1.32 0.00 0.00 176.35 175.46 1ck4 s ASP 154 N 1.52 6.93 -0.38 3.68 2.15 -0.67 -1.18 116.67 128.71 1ck4 s ASP 154 Ca 0.18 1.71 0.06 0.00 0.43 0.00 0.00 52.55 54.93 1ck4 s ASP 154 Cb -0.16 -2.54 0.56 0.00 -0.30 0.00 0.00 42.92 40.49 1ck4 s ASP 154 CO 0.09 -0.77 1.67 0.61 -0.17 0.00 0.00 175.17 176.60 1ck4 n GLY 155 N 3.64 4.91 3.52 2.66 0.00 0.18 -4.89 105.19 115.21 1ck4 n GLY 155 Ca 0.14 -1.34 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 1ck4 n GLY 155 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ck4 s SER 156 N -2.07 0.96 0.00 1.61 1.04 -1.26 -1.57 113.70 112.41 1ck4 s SER 156 Ca 0.51 1.17 0.26 0.00 0.48 0.00 0.00 55.95 58.37 1ck4 s SER 156 Cb 0.44 -1.79 1.23 0.00 0.10 0.00 0.00 66.02 66.00 1ck4 s SER 156 CO 0.04 -4.16 1.85 0.59 0.98 0.00 0.00 173.24 172.54 1ck4 n ASN 157 N -4.86 0.00 0.07 7.02 5.03 -0.38 -4.17 115.26 117.97 1ck4 n ASN 157 Ca 0.06 0.09 -0.18 0.00 0.87 0.00 0.00 54.58 55.42 1ck4 n ASN 157 Cb 0.57 -0.35 -0.14 0.00 -1.02 0.00 0.00 39.78 38.84 1ck4 n ASN 157 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1ck4 h SER 158 N 0.00 0.43 -1.51 6.41 4.64 -1.92 -3.42 113.55 118.18 1ck4 h SER 158 Ca 0.00 -0.59 -0.47 0.00 -0.47 0.00 0.00 61.79 60.26 1ck4 h SER 158 Cb 0.30 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1ck4 h SER 158 CO 0.00 1.49 1.64 -0.38 -0.87 0.00 0.00 176.83 178.70 1ck4 n ILE 159 N -3.48 -0.05 0.00 0.95 5.41 -1.26 -4.75 119.36 116.19 1ck4 n ILE 159 Ca -0.17 -0.72 0.00 0.00 1.00 0.00 0.00 62.75 62.86 1ck4 n ILE 159 Cb 1.05 -2.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.37 1ck4 n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ck4 n TYR 160 N 15.22 0.00 -1.54 1.39 9.36 -1.26 -4.32 117.16 136.00 1ck4 n TYR 160 Ca 0.39 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.47 1ck4 n TYR 160 Cb 0.50 -0.37 -0.09 0.00 -0.63 0.00 0.00 39.34 38.74 1ck4 n TYR 160 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1ck4 n PRO 161 N -1.62 0.37 -0.25 2.98 -0.02 -1.26 -4.64 135.00 130.55 1ck4 n PRO 161 Ca 0.00 -1.02 -0.01 0.00 -2.02 0.00 0.00 63.50 60.45 1ck4 n PRO 161 Cb 0.00 -3.52 0.11 0.00 -0.02 0.00 0.00 33.50 30.08 1ck4 n PRO 161 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1ck4 h TRP 162 N 12.18 0.75 0.00 6.00 2.91 -1.99 0.94 115.95 136.75 1ck4 h TRP 162 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1ck4 h TRP 162 Cb 1.01 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.43 1ck4 h TRP 162 CO 1.14 0.36 0.06 -0.85 -1.03 0.00 0.00 178.44 178.13 1ck4 n GLU 163 N -4.75 0.11 0.06 2.65 0.28 -1.26 -0.69 120.64 117.04 1ck4 n GLU 163 Ca 0.10 0.60 -0.07 0.00 -0.16 0.00 0.00 57.16 57.63 1ck4 n GLU 163 Cb 0.18 -1.92 -0.11 0.00 1.43 0.00 0.00 31.44 31.02 1ck4 n GLU 163 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1ck4 h SER 164 N 0.00 0.00 -0.09 -1.84 0.02 -1.16 0.19 113.55 110.66 1ck4 h SER 164 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1ck4 h SER 164 Cb 0.12 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.67 1ck4 h SER 164 CO 0.00 0.97 -0.52 0.58 -1.14 0.00 0.00 176.83 176.73 1ck4 h VAL 165 N 0.00 1.37 -0.85 2.27 2.07 -0.90 -2.52 116.25 117.68 1ck4 h VAL 165 Ca -0.02 -1.86 -0.03 0.00 0.82 0.00 0.00 66.70 65.62 1ck4 h VAL 165 Cb 1.76 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 33.73 1ck4 h VAL 165 CO 0.12 0.56 0.42 0.40 0.02 0.00 0.00 177.57 179.10 1ck4 h ILE 166 N 0.10 1.26 -0.49 4.57 2.04 -1.44 0.11 117.51 123.65 1ck4 h ILE 166 Ca -0.04 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1ck4 h ILE 166 Cb 1.17 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1ck4 h ILE 166 CO 0.11 0.31 0.19 0.00 0.00 0.00 0.00 178.15 178.75 1ck4 h ALA 167 N 1.25 1.41 0.12 1.87 0.00 -0.58 0.14 119.26 123.47 1ck4 h ALA 167 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ck4 h ALA 167 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ck4 h ALA 167 CO -0.04 0.45 -0.06 0.35 0.00 0.00 0.00 179.25 179.95 1ck4 h PHE 168 N 0.70 -0.14 -0.48 0.00 3.57 -0.90 -0.56 116.94 119.13 1ck4 h PHE 168 Ca 0.17 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.76 1ck4 h PHE 168 Cb 0.16 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.86 1ck4 h PHE 168 CO 0.01 0.29 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.26 1ck4 h LEU 169 N -0.64 -0.30 -0.58 0.59 3.38 -0.36 0.14 115.31 117.53 1ck4 h LEU 169 Ca -0.02 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1ck4 h LEU 169 Cb 0.50 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1ck4 h LEU 169 CO 0.03 -0.11 0.33 -1.13 0.09 0.00 0.00 178.44 177.65 1ck4 h ASN 170 N 0.06 0.50 -0.00 -0.43 -0.73 -0.70 -0.44 115.58 113.84 1ck4 h ASN 170 Ca 0.24 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.39 1ck4 h ASN 170 Cb 0.36 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1ck4 h ASN 170 CO -0.44 0.34 -0.07 -0.78 -0.37 0.00 0.00 177.43 176.11 1ck4 h ASP 171 N 0.63 0.18 0.43 1.15 3.58 0.69 -0.23 116.42 122.85 1ck4 h ASP 171 Ca 0.25 -0.03 -0.31 0.00 0.42 0.00 0.00 57.03 57.36 1ck4 h ASP 171 Cb 0.11 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1ck4 h ASP 171 CO -0.14 0.29 -1.57 0.25 -2.88 0.00 0.00 179.24 175.18 1ck4 h LEU 172 N 0.19 0.38 0.01 2.28 6.46 -0.26 -3.38 115.31 121.00 1ck4 h LEU 172 Ca 0.04 -0.55 -0.10 0.00 -0.12 0.00 0.00 57.88 57.16 1ck4 h LEU 172 Cb 0.26 -0.12 0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1ck4 h LEU 172 CO 0.01 1.46 -0.39 -0.07 -0.62 0.00 0.00 178.44 178.83 1ck4 h LEU 173 N 0.07 0.32 -1.14 2.25 -0.00 -0.96 -3.26 115.31 112.59 1ck4 h LEU 173 Ca -0.26 -0.81 0.00 0.00 -0.00 0.00 0.00 57.88 56.82 1ck4 h LEU 173 Cb 2.02 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 42.58 1ck4 h LEU 173 CO 0.15 1.09 0.29 0.07 -0.00 0.00 0.00 178.44 180.04 1ck4 h LYS 174 N -0.41 0.00 0.05 1.13 2.10 -1.22 0.37 116.57 118.59 1ck4 h LYS 174 Ca -0.05 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.29 1ck4 h LYS 174 Cb 1.16 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.46 1ck4 h LYS 174 CO 0.08 0.00 -1.70 0.00 -2.00 0.00 0.00 179.45 175.83 1ck4 h ARG 175 N 0.00 0.11 -7.21 0.07 -0.00 -1.73 -3.48 114.38 102.14 1ck4 h ARG 175 Ca 0.00 -0.19 -0.50 0.00 -0.50 0.00 0.00 59.98 58.79 1ck4 h ARG 175 Cb 0.57 0.07 0.09 0.00 0.00 0.00 0.00 29.97 30.70 1ck4 h ARG 175 CO 0.00 0.81 0.37 -1.64 0.00 0.00 0.00 179.97 179.51 1ck4 s MET 176 N -2.60 2.99 -0.58 0.04 -1.94 0.12 -5.01 119.30 112.32 1ck4 s MET 176 Ca -0.09 1.28 -0.06 0.00 -1.71 0.00 0.00 55.69 55.11 1ck4 s MET 176 Cb 0.08 -1.98 0.15 0.00 2.01 0.00 0.00 34.83 35.08 1ck4 s MET 176 CO 0.82 -1.08 0.42 -0.51 -0.01 0.00 0.00 175.02 174.65 1ck4 s ASP 177 N -2.78 5.54 0.37 3.03 1.01 -1.26 -4.84 116.67 117.74 1ck4 s ASP 177 Ca 0.65 -2.47 -0.22 0.00 0.71 0.00 0.00 52.55 51.22 1ck4 s ASP 177 Cb -0.18 -1.93 -0.10 0.00 1.01 0.00 0.00 42.92 41.72 1ck4 s ASP 177 CO 0.41 -0.50 0.92 -0.63 0.21 0.00 0.00 175.17 175.58 1ck4 s ILE 178 N 0.51 4.35 0.00 0.77 1.01 -1.26 -4.09 121.20 122.50 1ck4 s ILE 178 Ca 0.13 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1ck4 s ILE 178 Cb -0.21 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1ck4 s ILE 178 CO -0.04 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1ck4 n GLY 179 N -0.09 2.45 0.00 6.18 0.00 0.11 -4.35 105.19 109.49 1ck4 n GLY 179 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1ck4 n GLY 179 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ck4 n PRO 180 N -0.53 0.00 0.00 1.61 -0.02 -1.26 0.13 135.00 134.93 1ck4 n PRO 180 Ca 0.00 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1ck4 n PRO 180 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1ck4 n PRO 180 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ck4 n LYS 181 N -1.17 2.47 0.00 -0.52 4.76 -1.26 -4.98 118.16 117.47 1ck4 n LYS 181 Ca 0.00 -1.36 0.00 0.00 -2.87 0.00 0.00 58.31 54.08 1ck4 n LYS 181 Cb 0.03 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1ck4 n LYS 181 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ck4 n GLN 182 N -0.43 0.00 -2.06 1.97 0.00 0.12 -4.13 117.38 112.84 1ck4 n GLN 182 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1ck4 n GLN 182 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.46 1ck4 n GLN 182 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1ck4 n THR 183 N 0.00-12.46 -4.57 -0.39 -1.04 -1.02 -0.00 114.28 94.81 1ck4 n THR 183 Ca 0.00 3.17 -0.23 0.00 -2.04 0.00 0.00 64.05 64.94 1ck4 n THR 183 Cb 0.00 -5.09 -0.14 0.00 -1.82 0.00 0.00 70.33 63.28 1ck4 n THR 183 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1ck4 s GLN 184 N -0.47 1.22 -0.02 -2.82 -0.21 0.13 0.09 119.66 117.57 1ck4 s GLN 184 Ca 0.00 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 54.62 1ck4 s GLN 184 Cb 0.00 -1.26 -0.01 0.00 1.00 0.00 0.00 33.01 32.74 1ck4 s GLN 184 CO 0.00 0.32 -0.14 0.08 -2.12 0.00 0.00 175.29 173.43 1ck4 s VAL 185 N -0.73 1.14 0.06 1.09 1.01 -1.26 -1.38 120.40 120.34 1ck4 s VAL 185 Ca 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1ck4 s VAL 185 Cb -0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1ck4 s VAL 185 CO 0.01 0.33 -0.05 -0.83 0.00 0.00 0.00 175.10 174.56 1ck4 s GLY 186 N -0.23 0.55 -0.02 4.51 0.00 -0.77 -3.80 107.32 107.57 1ck4 s GLY 186 Ca 0.03 -1.11 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 1ck4 s GLY 186 CO -0.00 -1.21 0.03 -0.42 0.00 0.00 0.00 173.10 171.50 1ck4 s ILE 187 N -3.10 -0.04 -0.04 0.90 1.01 0.14 -1.70 121.20 118.37 1ck4 s ILE 187 Ca 0.03 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.84 1ck4 s ILE 187 Cb 0.02 -0.06 0.01 0.00 0.01 0.00 0.00 42.46 42.43 1ck4 s ILE 187 CO -0.05 0.05 -0.11 -0.69 0.00 0.00 0.00 174.94 174.14 1ck4 s VAL 188 N 0.66 0.95 0.09 2.92 1.01 -0.47 0.21 120.40 125.78 1ck4 s VAL 188 Ca -0.05 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1ck4 s VAL 188 Cb -0.08 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1ck4 s VAL 188 CO -0.02 0.30 -0.05 -1.58 0.00 0.00 0.00 175.10 173.75 1ck4 s GLN 189 N 0.35 2.36 0.15 2.72 0.74 -0.35 -1.08 119.66 124.55 1ck4 s GLN 189 Ca -0.07 -0.91 -0.06 0.00 0.05 0.00 0.00 55.36 54.37 1ck4 s GLN 189 Cb -0.11 -2.43 -0.02 0.00 1.10 0.00 0.00 33.01 31.54 1ck4 s GLN 189 CO 0.01 0.53 0.19 1.52 -0.55 0.00 0.00 175.29 177.00 1ck4 s TYR 190 N -1.25 0.58 0.00 1.67 1.13 -0.33 -1.61 117.35 117.54 1ck4 s TYR 190 Ca 0.23 -0.95 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 1ck4 s TYR 190 Cb -0.11 -0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 1ck4 s TYR 190 CO 0.15 -0.64 0.00 0.41 -2.51 0.00 0.00 175.55 172.97 1ck4 n GLY 191 N -0.16 1.33 4.41 5.49 0.00 -1.26 0.48 105.19 115.48 1ck4 n GLY 191 Ca -0.07 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ck4 n GLY 191 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ck4 n GLU 192 N 0.00 0.00 -4.08 1.61 1.02 -0.83 -4.69 120.64 113.66 1ck4 n GLU 192 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1ck4 n GLU 192 Cb 0.00 -0.01 -0.04 0.00 -0.02 0.00 0.00 31.44 31.37 1ck4 n GLU 192 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ck4 n ASN 193 N 2.28 -1.33 -4.19 1.62 0.23 -1.26 -4.94 115.26 107.67 1ck4 n ASN 193 Ca 0.00 -2.99 -0.25 0.00 -0.53 0.00 0.00 54.58 50.81 1ck4 n ASN 193 Cb 0.00 2.53 -0.15 0.00 -2.08 0.00 0.00 39.78 40.08 1ck4 n ASN 193 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1ck4 s VAL 194 N -2.89 1.44 -0.01 3.53 1.01 -1.26 -4.31 120.40 117.91 1ck4 s VAL 194 Ca 0.31 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1ck4 s VAL 194 Cb -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1ck4 s VAL 194 CO 0.22 0.30 -0.03 0.42 0.00 0.00 0.00 175.10 176.01 1ck4 s THR 195 N -0.58 0.27 -0.43 3.92 -4.23 -0.63 -5.02 115.64 108.95 1ck4 s THR 195 Ca 0.06 -0.10 -0.23 0.00 -1.18 0.00 0.00 61.69 60.24 1ck4 s THR 195 Cb -0.08 -0.26 0.02 0.00 1.34 0.00 0.00 72.50 73.52 1ck4 s THR 195 CO 0.00 0.10 0.79 -1.00 -0.54 0.00 0.00 174.62 173.97 1ck4 s HIS 196 N 0.19 3.02 0.28 3.99 3.76 -1.26 -1.21 115.29 124.06 1ck4 s HIS 196 Ca -0.02 0.29 0.05 0.00 -0.15 0.00 0.00 55.06 55.23 1ck4 s HIS 196 Cb -0.05 -3.61 0.42 0.00 1.11 0.00 0.00 32.58 30.45 1ck4 s HIS 196 CO -0.00 -0.92 1.69 0.93 -0.85 0.00 0.00 174.74 175.58 1ck4 h GLU 197 N 8.85 0.32 0.00 1.40 4.39 -0.59 -3.46 114.58 125.49 1ck4 h GLU 197 Ca -0.25 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1ck4 h GLU 197 Cb 1.09 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1ck4 h GLU 197 CO 0.95 0.66 0.00 1.97 -1.16 0.00 0.00 179.01 181.43 1ck4 n PHE 198 N -4.04 0.00 -1.56 4.33 1.16 -1.01 -4.93 117.46 111.40 1ck4 n PHE 198 Ca -0.01 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.26 1ck4 n PHE 198 Cb 0.47 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.39 1ck4 n PHE 198 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1ck4 s ASN 199 N 0.00 5.31 0.57 5.98 0.01 -1.26 -0.68 114.94 124.87 1ck4 s ASN 199 Ca 0.00 1.65 0.28 0.00 -0.71 0.00 0.00 52.86 54.08 1ck4 s ASN 199 Cb 0.00 -2.50 1.69 0.00 0.41 0.00 0.00 41.25 40.85 1ck4 s ASN 199 CO 0.00 -1.49 2.20 -0.07 -1.51 0.00 0.00 177.10 176.23 1ck4 h LEU 200 N -0.70 0.00 -2.66 0.60 4.07 -1.50 -2.15 115.31 112.97 1ck4 h LEU 200 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.52 1ck4 h LEU 200 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1ck4 h LEU 200 CO 0.56 0.04 0.00 -0.46 -1.08 0.00 0.00 178.44 177.50 1ck4 n ASN 201 N -3.84 3.11 0.13 -0.43 2.04 -1.21 -4.17 115.26 110.88 1ck4 n ASN 201 Ca -0.03 -1.95 -0.13 0.00 -0.44 0.00 0.00 54.58 52.03 1ck4 n ASN 201 Cb 0.12 -0.27 -0.08 0.00 -2.53 0.00 0.00 39.78 37.02 1ck4 n ASN 201 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 1ck4 h LYS 202 N 2.76 -0.31 -6.23 -3.83 1.63 -1.69 -3.46 116.57 105.45 1ck4 h LYS 202 Ca 0.00 0.02 -0.55 0.00 -0.85 0.00 0.00 60.65 59.27 1ck4 h LYS 202 Cb 0.79 0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 32.40 1ck4 h LYS 202 CO 0.00 -0.02 -0.62 0.71 -3.45 0.00 0.00 179.45 176.06 1ck4 s TYR 203 N -5.02 2.81 -0.00 1.91 2.02 -1.26 -5.04 117.35 112.76 1ck4 s TYR 203 Ca -0.15 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1ck4 s TYR 203 Cb 0.03 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.29 1ck4 s TYR 203 CO 0.59 0.58 0.04 -1.13 -1.57 0.00 0.00 175.55 174.07 1ck4 n SER 204 N -0.82 4.60 -4.75 2.29 3.41 -1.26 -4.88 113.62 112.21 1ck4 n SER 204 Ca -0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.21 1ck4 n SER 204 Cb 0.58 1.08 -0.07 0.00 -0.26 0.00 0.00 64.21 65.53 1ck4 n SER 204 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ck4 s SER 205 N -2.21 5.49 0.40 4.04 0.15 -1.26 -3.84 113.70 116.48 1ck4 s SER 205 Ca -0.01 0.08 0.11 0.00 0.70 0.00 0.00 55.95 56.84 1ck4 s SER 205 Cb 0.01 -1.53 0.84 0.00 -1.71 0.00 0.00 66.02 63.64 1ck4 s SER 205 CO 0.07 0.27 1.93 0.74 1.20 0.00 0.00 173.24 177.45 1ck4 h THR 206 N 3.25 1.17 0.06 6.45 2.02 -1.89 -1.99 112.91 121.99 1ck4 h THR 206 Ca -0.49 -0.77 -0.15 0.00 0.77 0.00 0.00 66.41 65.77 1ck4 h THR 206 Cb 1.18 1.29 0.02 0.00 -1.74 0.00 0.00 68.15 68.89 1ck4 h THR 206 CO 0.61 0.23 -0.63 1.05 0.37 0.00 0.00 175.52 177.15 1ck4 h GLU 207 N 0.14 0.31 -0.21 6.66 4.11 -1.94 -2.70 114.58 120.95 1ck4 h GLU 207 Ca 0.03 -0.42 0.01 0.00 0.07 0.00 0.00 59.36 59.04 1ck4 h GLU 207 Cb 0.38 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1ck4 h GLU 207 CO 0.02 1.14 0.12 0.93 0.07 0.00 0.00 179.01 181.29 1ck4 h GLU 208 N -0.31 0.24 -0.69 1.06 5.08 -1.95 0.09 114.58 118.10 1ck4 h GLU 208 Ca -0.10 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1ck4 h GLU 208 Cb 1.41 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 1ck4 h GLU 208 CO 0.12 0.16 0.46 0.28 -1.00 0.00 0.00 179.01 179.03 1ck4 h VAL 209 N 0.25 0.89 -0.46 3.13 2.07 -1.46 -0.35 116.25 120.32 1ck4 h VAL 209 Ca 0.08 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1ck4 h VAL 209 Cb 0.01 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1ck4 h VAL 209 CO -0.05 0.09 0.15 -0.07 0.02 0.00 0.00 177.57 177.71 1ck4 h LEU 210 N 0.50 0.66 -0.79 2.57 3.38 -0.67 -0.96 115.31 120.01 1ck4 h LEU 210 Ca 0.32 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1ck4 h LEU 210 Cb 0.58 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ck4 h LEU 210 CO -0.10 0.69 -0.01 0.58 0.09 0.00 0.00 178.44 179.69 1ck4 h VAL 211 N 0.60 1.26 -0.45 1.22 2.07 -0.12 -2.71 116.25 118.12 1ck4 h VAL 211 Ca 0.15 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 1ck4 h VAL 211 Cb 0.26 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1ck4 h VAL 211 CO -0.01 0.39 0.05 0.00 0.02 0.00 0.00 177.57 178.02 1ck4 h ALA 212 N 1.14 0.60 0.00 1.67 0.00 -0.83 -3.11 119.26 118.73 1ck4 h ALA 212 Ca 0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1ck4 h ALA 212 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ck4 h ALA 212 CO 0.03 0.34 -0.36 0.00 0.00 0.00 0.00 179.25 179.26 1ck4 h ALA 213 N 0.94 1.07 0.00 0.00 0.00 -1.10 -2.95 119.26 117.21 1ck4 h ALA 213 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ck4 h ALA 213 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ck4 h ALA 213 CO 0.01 0.45 0.00 -0.91 0.00 0.00 0.00 179.25 178.80 1ck4 h ASN 214 N 0.00 0.00 -0.50 0.00 4.21 -1.42 -3.07 115.58 114.81 1ck4 h ASN 214 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ck4 h ASN 214 Cb 0.82 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.02 1ck4 h ASN 214 CO 0.05 0.00 0.00 2.29 -1.29 0.00 0.00 177.43 178.48 1ck4 n LYS 215 N -2.38 3.63 -3.11 0.81 2.85 -1.11 -4.91 118.16 113.95 1ck4 n LYS 215 Ca 0.04 -2.41 -0.41 0.00 -1.05 0.00 0.00 58.31 54.48 1ck4 n LYS 215 Cb 0.36 -1.93 -0.06 0.00 -0.65 0.00 0.00 35.03 32.75 1ck4 n LYS 215 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1ck4 s ILE 216 N -2.07 4.97 0.24 0.58 1.01 -1.16 -5.05 121.20 119.71 1ck4 s ILE 216 Ca 0.42 1.06 -0.02 0.00 0.00 0.00 0.00 60.65 62.12 1ck4 s ILE 216 Cb 0.30 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1ck4 s ILE 216 CO 0.17 -0.02 0.45 -0.83 0.00 0.00 0.00 174.94 174.70 1ck4 s GLY 217 N 1.52 1.75 -0.19 6.18 0.00 -1.26 -5.02 107.32 110.31 1ck4 s GLY 217 Ca 0.26 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 1ck4 s GLY 217 CO 0.09 -0.71 1.98 -1.60 0.00 0.00 0.00 173.10 172.86 1ck4 s ARG 218 N -3.49 3.49 0.28 2.90 3.52 -1.26 -4.87 118.95 119.51 1ck4 s ARG 218 Ca 0.40 1.96 -0.01 0.00 -0.13 0.00 0.00 55.73 57.96 1ck4 s ARG 218 Cb -0.11 -4.23 0.39 0.00 -1.56 0.00 0.00 34.95 29.44 1ck4 s ARG 218 CO 0.30 -1.68 1.79 -0.56 -0.81 0.00 0.00 175.30 174.34 1ck4 h GLN 219 N 12.95 0.74 0.00 5.12 3.07 -1.94 -3.49 115.11 131.56 1ck4 h GLN 219 Ca -0.40 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 58.16 1ck4 h GLN 219 Cb 1.21 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1ck4 h GLN 219 CO 0.98 0.74 0.00 0.41 0.09 0.00 0.00 178.83 181.05 1ck4 n GLY 220 N -0.72 -0.10 3.65 0.06 0.00 -0.61 -5.08 105.19 102.40 1ck4 n GLY 220 Ca 0.03 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.62 1ck4 n GLY 220 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ck4 s GLY 221 N -0.90 0.35 -0.13 -0.02 0.00 -1.21 -4.78 107.32 100.64 1ck4 s GLY 221 Ca 0.00 3.50 -0.18 0.00 0.00 0.00 0.00 44.72 48.04 1ck4 s GLY 221 CO 0.00 2.13 0.51 1.41 0.00 0.00 0.00 173.10 177.15 1ck4 h LEU 222 N 3.77 0.27 -9.84 0.66 3.38 -1.94 -1.00 115.31 110.61 1ck4 h LEU 222 Ca -0.27 -0.80 -0.55 0.00 0.09 0.00 0.00 57.88 56.34 1ck4 h LEU 222 Cb 1.19 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1ck4 h LEU 222 CO 0.18 1.54 -0.05 -1.10 0.09 0.00 0.00 178.44 179.10 1ck4 s GLN 223 N -2.43 4.02 -0.46 1.13 -0.21 -1.26 -4.90 119.66 115.56 1ck4 s GLN 223 Ca -0.22 0.55 0.02 0.00 0.02 0.00 0.00 55.36 55.74 1ck4 s GLN 223 Cb 0.04 -2.92 0.12 0.00 1.00 0.00 0.00 33.01 31.25 1ck4 s GLN 223 CO 0.72 0.46 0.21 0.99 -2.12 0.00 0.00 175.29 175.56 1ck4 s THR 224 N -1.48 2.75 -1.18 -0.19 2.01 -1.26 -1.97 115.64 114.32 1ck4 s THR 224 Ca 0.39 -2.77 -0.08 0.00 0.31 0.00 0.00 61.69 59.54 1ck4 s THR 224 Cb -0.15 -2.92 0.23 0.00 0.01 0.00 0.00 72.50 69.67 1ck4 s THR 224 CO 0.19 -0.73 1.62 0.23 -0.69 0.00 0.00 174.62 175.25 1ck4 n MET 225 N 3.75 3.94 -0.16 4.92 0.00 -1.26 0.20 117.12 128.51 1ck4 n MET 225 Ca 0.04 -4.04 -0.02 0.00 0.00 0.00 0.00 57.70 53.68 1ck4 n MET 225 Cb 0.38 -2.74 0.21 0.00 0.00 0.00 0.00 33.22 31.06 1ck4 n MET 225 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1ck4 h THR 226 N 3.69 1.21 -0.45 2.03 2.02 -1.93 -0.83 112.91 118.66 1ck4 h THR 226 Ca 0.29 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1ck4 h THR 226 Cb 0.66 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1ck4 h THR 226 CO 1.43 0.27 0.26 0.00 0.37 0.00 0.00 175.52 177.84 1ck4 h ALA 227 N 1.40 0.57 -0.66 6.16 0.00 -1.88 -0.14 119.26 124.71 1ck4 h ALA 227 Ca 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ck4 h ALA 227 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1ck4 h ALA 227 CO -0.02 0.08 0.34 1.25 0.00 0.00 0.00 179.25 180.89 1ck4 h LEU 228 N 0.59 0.85 0.15 0.00 5.85 -1.79 -1.24 115.31 119.72 1ck4 h LEU 228 Ca 0.16 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1ck4 h LEU 228 Cb 0.03 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.84 1ck4 h LEU 228 CO -0.03 0.73 -0.07 1.23 -0.34 0.00 0.00 178.44 179.96 1ck4 h GLY 229 N 0.91 -0.20 0.80 3.75 0.00 -0.74 -1.67 103.07 105.91 1ck4 h GLY 229 Ca 0.23 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.68 1ck4 h GLY 229 CO -0.03 -0.07 0.54 -2.22 0.00 0.00 0.00 176.54 174.76 1ck4 h ILE 230 N -0.46 1.09 -0.25 2.60 2.04 -0.99 -0.71 117.51 120.83 1ck4 h ILE 230 Ca -0.02 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1ck4 h ILE 230 Cb 0.36 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1ck4 h ILE 230 CO 0.03 0.19 -0.29 -0.78 0.00 0.00 0.00 178.15 177.30 1ck4 h ASP 231 N 1.02 0.51 -0.19 1.72 1.82 -1.20 -0.74 116.42 119.35 1ck4 h ASP 231 Ca 0.36 -0.19 -0.17 0.00 -0.39 0.00 0.00 57.03 56.64 1ck4 h ASP 231 Cb 0.09 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 39.96 1ck4 h ASP 231 CO -0.14 0.78 -0.50 0.74 -1.61 0.00 0.00 179.24 178.51 1ck4 h THR 232 N 0.43 1.29 -0.07 2.25 2.02 -0.85 0.18 112.91 118.16 1ck4 h THR 232 Ca 0.06 -1.70 -0.11 0.00 0.77 0.00 0.00 66.41 65.43 1ck4 h THR 232 Cb 0.73 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1ck4 h THR 232 CO 0.06 0.55 -0.46 0.00 0.37 0.00 0.00 175.52 176.03 1ck4 h ALA 233 N 0.83 1.10 0.00 6.16 0.00 -0.81 1.96 119.26 128.50 1ck4 h ALA 233 Ca 0.03 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 1ck4 h ALA 233 Cb 1.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1ck4 h ALA 233 CO 0.11 0.61 -1.02 -0.09 0.00 0.00 0.00 179.25 178.87 1ck4 h ARG 234 N 0.13 0.00 0.07 0.00 2.43 -1.00 -2.35 114.38 113.66 1ck4 h ARG 234 Ca 0.01 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.85 1ck4 h ARG 234 Cb 0.87 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1ck4 h ARG 234 CO 0.07 0.78 -1.82 0.87 -1.51 0.00 0.00 179.97 178.36 1ck4 h LYS 235 N 0.00 0.14 0.00 0.20 1.57 -0.23 -3.41 116.57 114.84 1ck4 h LYS 235 Ca -0.06 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 1ck4 h LYS 235 Cb 1.71 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 34.10 1ck4 h LYS 235 CO 0.10 0.88 -0.72 0.39 -0.57 0.00 0.00 179.45 179.53 1ck4 n GLU 236 N -3.28 0.22 -0.28 3.15 1.02 0.66 -4.72 120.64 117.42 1ck4 n GLU 236 Ca -0.23 0.09 0.11 0.00 -0.02 0.00 0.00 57.16 57.11 1ck4 n GLU 236 Cb 1.05 -0.88 0.37 0.00 -0.02 0.00 0.00 31.44 31.95 1ck4 n GLU 236 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ck4 h ALA 237 N -0.41 1.80 -0.67 0.62 0.00 -1.50 -3.04 119.26 116.07 1ck4 h ALA 237 Ca -0.07 0.02 -0.72 0.00 0.00 0.00 0.00 54.91 54.13 1ck4 h ALA 237 Cb 0.63 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.15 1ck4 h ALA 237 CO -0.05 -0.05 2.15 1.19 0.00 0.00 0.00 179.25 182.50 1ck4 n PHE 238 N -4.57 2.52 -4.23 0.00 3.72 -0.89 -4.41 117.46 109.60 1ck4 n PHE 238 Ca 0.17 -2.72 -0.17 0.00 -0.05 0.00 0.00 57.45 54.68 1ck4 n PHE 238 Cb 0.46 -1.75 -0.13 0.00 -0.94 0.00 0.00 39.48 37.11 1ck4 n PHE 238 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1ck4 s THR 239 N -1.46 0.80 0.60 4.37 -4.23 -1.15 -4.88 115.64 109.69 1ck4 s THR 239 Ca 0.54 -0.85 0.29 0.00 -1.18 0.00 0.00 61.69 60.48 1ck4 s THR 239 Cb 0.20 -0.75 0.36 0.00 1.34 0.00 0.00 72.50 73.65 1ck4 s THR 239 CO -0.11 -0.08 1.94 -0.33 -0.54 0.00 0.00 174.62 175.51 1ck4 h GLU 240 N 5.05 0.00 -0.04 3.99 4.39 -1.91 0.55 114.58 126.61 1ck4 h GLU 240 Ca -0.35 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.16 1ck4 h GLU 240 Cb 1.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1ck4 h GLU 240 CO 0.44 0.00 -0.78 0.00 -1.16 0.00 0.00 179.01 177.51 1ck4 h ALA 241 N 1.50 0.59 -0.60 3.43 0.00 -1.92 -3.04 119.26 119.21 1ck4 h ALA 241 Ca 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ck4 h ALA 241 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ck4 h ALA 241 CO -0.00 0.81 0.00 0.54 0.00 0.00 0.00 179.25 180.60 1ck4 n ARG 242 N -3.78 2.87 0.00 0.00 1.74 0.18 -4.94 116.66 112.73 1ck4 n ARG 242 Ca -0.04 -2.35 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 1ck4 n ARG 242 Cb 0.74 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1ck4 n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ck4 n GLY 243 N 1.28 1.94 3.50 -0.13 0.00 -0.53 -1.99 105.19 109.26 1ck4 n GLY 243 Ca 0.22 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.71 1ck4 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ck4 n ALA 244 N -0.32 -2.44 -2.69 4.61 0.00 -0.79 -4.54 120.51 114.33 1ck4 n ALA 244 Ca 0.00 0.51 -0.37 0.00 0.00 0.00 0.00 53.44 53.58 1ck4 n ALA 244 Cb 0.00 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 1ck4 n ALA 244 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ck4 s ARG 245 N -0.35 3.95 -0.32 0.00 0.52 -1.26 -4.18 118.95 117.31 1ck4 s ARG 245 Ca 0.78 0.14 -0.33 0.00 -0.52 0.00 0.00 55.73 55.80 1ck4 s ARG 245 Cb -1.04 -3.30 -0.09 0.00 0.52 0.00 0.00 34.95 31.03 1ck4 s ARG 245 CO 0.55 0.51 2.22 0.54 0.02 0.00 0.00 175.30 179.14 1ck4 n ARG 246 N 2.64 1.35 -1.07 3.54 1.74 -1.26 -1.77 116.66 121.82 1ck4 n ARG 246 Ca -0.15 0.36 -0.02 0.00 -0.77 0.00 0.00 57.85 57.27 1ck4 n ARG 246 Cb 0.53 -2.73 -0.01 0.00 -1.02 0.00 0.00 32.46 29.22 1ck4 n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ck4 n GLY 247 N 6.29 0.57 3.81 -0.13 0.00 -1.26 -5.02 105.19 109.45 1ck4 n GLY 247 Ca 0.38 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1ck4 n GLY 247 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ck4 s VAL 248 N -2.06 5.04 0.16 1.61 1.01 -0.73 -5.01 120.40 120.42 1ck4 s VAL 248 Ca 0.00 0.88 -0.33 0.00 0.00 0.00 0.00 61.98 62.54 1ck4 s VAL 248 Cb 0.00 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 1ck4 s VAL 248 CO 0.00 0.52 1.70 1.17 0.00 0.00 0.00 175.10 178.49 1ck4 n LYS 249 N 2.22 2.52 -3.43 2.72 3.00 -1.26 -4.74 118.16 119.19 1ck4 n LYS 249 Ca -0.12 0.91 -0.37 0.00 -0.00 0.00 0.00 58.31 58.72 1ck4 n LYS 249 Cb 0.52 -2.74 -0.07 0.00 0.00 0.00 0.00 35.03 32.74 1ck4 n LYS 249 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ck4 s LYS 250 N 1.50 4.25 -0.00 1.64 1.02 -1.26 -1.91 119.74 124.97 1ck4 s LYS 250 Ca 0.79 0.22 0.05 0.00 0.02 0.00 0.00 55.97 57.04 1ck4 s LYS 250 Cb -0.58 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.25 1ck4 s LYS 250 CO 0.36 0.11 -0.16 0.08 -0.92 0.00 0.00 175.35 174.82 1ck4 s VAL 251 N 0.83 1.25 -0.05 3.17 1.01 0.29 -1.58 120.40 125.33 1ck4 s VAL 251 Ca 0.20 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1ck4 s VAL 251 Cb -0.14 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1ck4 s VAL 251 CO 0.07 0.30 -0.24 -0.32 0.00 0.00 0.00 175.10 174.91 1ck4 s MET 252 N -0.52 2.35 -0.33 2.72 1.75 0.17 -0.93 119.30 124.52 1ck4 s MET 252 Ca 0.06 -0.86 0.02 0.00 -1.25 0.00 0.00 55.69 53.65 1ck4 s MET 252 Cb -0.06 -2.04 0.10 0.00 2.84 0.00 0.00 34.83 35.66 1ck4 s MET 252 CO -0.00 0.39 0.06 0.08 -0.65 0.00 0.00 175.02 174.90 1ck4 s VAL 253 N -0.22 1.78 -0.11 10.11 1.01 -0.39 0.47 120.40 133.05 1ck4 s VAL 253 Ca -0.01 -1.98 -0.12 0.00 0.00 0.00 0.00 61.98 59.86 1ck4 s VAL 253 Cb -0.13 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1ck4 s VAL 253 CO 0.03 -0.60 0.28 -0.63 0.00 0.00 0.00 175.10 174.17 1ck4 s ILE 254 N 1.16 5.28 -0.14 2.22 1.09 -0.30 -0.94 121.20 129.58 1ck4 s ILE 254 Ca 0.10 0.54 0.01 0.00 -1.10 0.00 0.00 60.65 60.19 1ck4 s ILE 254 Cb -0.18 -3.60 0.02 0.00 -1.06 0.00 0.00 42.46 37.64 1ck4 s ILE 254 CO -0.14 0.49 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.35 1ck4 s VAL 255 N -0.25 1.62 0.05 2.92 1.01 -0.55 -1.14 120.40 124.05 1ck4 s VAL 255 Ca 0.18 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 1ck4 s VAL 255 Cb -0.14 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.78 1ck4 s VAL 255 CO 0.06 0.47 0.34 0.28 0.00 0.00 0.00 175.10 176.25 1ck4 s THR 256 N 1.25 0.07 -0.24 3.92 -1.32 -0.87 -1.67 115.64 116.78 1ck4 s THR 256 Ca 0.00 -0.61 0.07 0.00 -1.21 0.00 0.00 61.69 59.94 1ck4 s THR 256 Cb -0.14 -0.96 0.16 0.00 -1.51 0.00 0.00 72.50 70.05 1ck4 s THR 256 CO -0.07 -0.34 1.11 -0.90 -2.21 0.00 0.00 174.62 172.22 1ck4 n ASP 257 N 0.51 2.41 -3.79 8.08 5.75 -1.26 -0.96 116.55 127.30 1ck4 n ASP 257 Ca -0.18 -2.26 -0.06 0.00 -0.01 0.00 0.00 54.79 52.27 1ck4 n ASP 257 Cb 0.60 -0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 40.50 1ck4 n ASP 257 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1ck4 s GLY 258 N -1.39 -0.10 0.56 6.12 0.00 -1.26 -4.66 107.32 106.58 1ck4 s GLY 258 Ca 0.14 -0.22 -0.20 0.00 0.00 0.00 0.00 44.72 44.44 1ck4 s GLY 258 CO 0.05 -0.05 1.17 -0.54 0.00 0.00 0.00 173.10 173.73 1ck4 s GLU 259 N -3.67 3.22 0.18 2.90 2.02 -1.26 -4.99 118.70 117.10 1ck4 s GLU 259 Ca 0.12 1.73 -0.24 0.00 0.02 0.00 0.00 54.97 56.60 1ck4 s GLU 259 Cb -0.05 -2.01 -0.08 0.00 0.10 0.00 0.00 34.13 32.09 1ck4 s GLU 259 CO 0.06 -0.98 0.76 -1.54 0.02 0.00 0.00 175.26 173.58 1ck4 s SER 260 N -1.64 7.30 0.21 -0.19 1.04 -1.26 -4.77 113.70 114.40 1ck4 s SER 260 Ca 0.74 1.59 -0.06 0.00 0.48 0.00 0.00 55.95 58.69 1ck4 s SER 260 Cb -0.27 -2.48 0.18 0.00 0.10 0.00 0.00 66.02 63.54 1ck4 s SER 260 CO 0.31 0.17 1.70 0.45 0.98 0.00 0.00 173.24 176.85 1ck4 h HIS 261 N 4.11 1.07 -0.04 5.02 3.86 -0.63 -1.66 115.15 126.87 1ck4 h HIS 261 Ca -0.47 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 58.58 1ck4 h HIS 261 Cb 1.20 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1ck4 h HIS 261 CO 0.64 0.93 0.00 -3.47 0.86 0.00 0.00 177.93 176.89 1ck4 n ASP 262 N -4.20 1.24 -0.02 2.45 2.03 -1.25 -4.66 116.55 112.14 1ck4 n ASP 262 Ca 0.03 -2.06 -0.00 0.00 0.52 0.00 0.00 54.79 53.28 1ck4 n ASP 262 Cb 0.31 -0.48 -0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1ck4 n ASP 262 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ck4 n ASN 263 N 0.02 -0.05 -0.29 1.67 2.85 -0.63 -2.53 115.26 116.31 1ck4 n ASN 263 Ca 0.02 0.18 0.11 0.00 -0.11 0.00 0.00 54.58 54.78 1ck4 n ASN 263 Cb 0.30 -0.06 0.26 0.00 1.24 0.00 0.00 39.78 41.51 1ck4 n ASN 263 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 1ck4 h TYR 264 N 0.00 0.35 -0.32 1.20 -0.00 -1.87 -2.64 116.97 113.70 1ck4 h TYR 264 Ca 0.01 0.05 -0.10 0.00 -0.00 0.00 0.00 58.73 58.68 1ck4 h TYR 264 Cb 0.02 -0.02 -0.06 0.00 -0.00 0.00 0.00 36.73 36.66 1ck4 h TYR 264 CO -0.14 -0.16 0.13 2.89 -0.00 0.00 0.00 178.16 180.88 1ck4 n ARG 265 N -5.19 2.06 -0.03 0.10 1.85 -1.05 -4.04 116.66 110.35 1ck4 n ARG 265 Ca 0.19 -1.25 -0.15 0.00 -1.00 0.00 0.00 57.85 55.65 1ck4 n ARG 265 Cb 0.61 -1.65 -0.10 0.00 -1.05 0.00 0.00 32.46 30.28 1ck4 n ARG 265 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1ck4 h LEU 266 N 1.32 0.30 -0.93 2.89 5.85 -1.63 -1.55 115.31 121.56 1ck4 h LEU 266 Ca 0.13 -0.66 0.12 0.00 0.84 0.00 0.00 57.88 58.31 1ck4 h LEU 266 Cb 1.43 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.29 1ck4 h LEU 266 CO 0.32 0.91 0.56 0.11 -0.34 0.00 0.00 178.44 180.01 1ck4 h LYS 267 N -0.29 0.86 -0.09 1.25 1.57 -1.82 0.55 116.57 118.59 1ck4 h LYS 267 Ca -0.02 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.50 1ck4 h LYS 267 Cb 0.90 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 33.03 1ck4 h LYS 267 CO 0.05 0.57 -0.76 0.37 -0.57 0.00 0.00 179.45 179.10 1ck4 h GLN 268 N 0.88 0.68 -0.52 3.15 5.75 -1.83 -2.25 115.11 120.97 1ck4 h GLN 268 Ca 0.47 -0.61 -0.07 0.00 -0.15 0.00 0.00 58.65 58.29 1ck4 h GLN 268 Cb 0.49 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 1ck4 h GLN 268 CO -0.28 1.22 0.04 0.28 -2.65 0.00 0.00 178.83 177.44 1ck4 h VAL 269 N 0.36 1.26 -0.01 2.39 2.07 -0.27 -1.56 116.25 120.49 1ck4 h VAL 269 Ca -0.07 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1ck4 h VAL 269 Cb 1.41 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1ck4 h VAL 269 CO 0.16 0.36 -0.00 0.40 0.02 0.00 0.00 177.57 178.51 1ck4 h ILE 270 N 0.76 1.28 0.00 4.57 1.08 -0.01 -2.07 117.51 123.12 1ck4 h ILE 270 Ca 0.15 -0.82 -0.01 0.00 -0.39 0.00 0.00 64.86 63.79 1ck4 h ILE 270 Cb 0.47 1.82 -0.00 0.00 -3.07 0.00 0.00 36.82 36.04 1ck4 h ILE 270 CO 0.02 0.21 -0.07 -0.61 -0.69 0.00 0.00 178.15 177.01 1ck4 h GLN 271 N -0.33 0.00 -0.18 2.37 5.75 -1.39 0.86 115.11 122.19 1ck4 h GLN 271 Ca 0.00 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.33 1ck4 h GLN 271 Cb 0.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1ck4 h GLN 271 CO 0.00 0.07 -0.54 -0.44 -2.65 0.00 0.00 178.83 175.27 1ck4 h ASP 272 N 0.00 0.79 -0.39 -0.69 5.19 -1.14 -2.34 116.42 117.84 1ck4 h ASP 272 Ca -0.00 -0.59 0.01 0.00 -0.62 0.00 0.00 57.03 55.83 1ck4 h ASP 272 Cb 0.13 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 1ck4 h ASP 272 CO 0.01 1.24 0.24 0.00 -3.12 0.00 0.00 179.24 177.60 1ck4 h GLU 274 N 0.48 0.00 0.07 0.00 4.81 -1.00 0.77 114.58 119.72 1ck4 h GLU 274 Ca 0.15 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.13 1ck4 h GLU 274 Cb -0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1ck4 h GLU 274 CO -0.06 0.01 -1.21 -0.44 -0.73 0.00 0.00 179.01 176.59 1ck4 h ASP 275 N 0.00 0.23 -0.33 1.04 5.19 0.20 -3.04 116.42 119.70 1ck4 h ASP 275 Ca -0.00 -0.26 -0.04 0.00 -0.62 0.00 0.00 57.03 56.12 1ck4 h ASP 275 Cb 0.05 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 1ck4 h ASP 275 CO 0.00 1.20 0.05 -0.62 -3.12 0.00 0.00 179.24 176.75 1ck4 n GLU 276 N -3.42 2.85 -3.93 3.56 1.02 0.18 -4.92 120.64 115.98 1ck4 n GLU 276 Ca -0.06 -1.63 -0.36 0.00 -0.02 0.00 0.00 57.16 55.08 1ck4 n GLU 276 Cb 0.99 -1.86 0.01 0.00 -0.02 0.00 0.00 31.44 30.56 1ck4 n GLU 276 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ck4 n ASN 277 N 0.23 -4.55 -4.11 1.62 3.02 -0.70 -4.92 115.26 105.85 1ck4 n ASN 277 Ca 0.17 -1.13 -0.34 0.00 -0.03 0.00 0.00 54.58 53.25 1ck4 n ASN 277 Cb 0.80 -1.78 -0.14 0.00 -0.61 0.00 0.00 39.78 38.05 1ck4 n ASN 277 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ck4 s ILE 278 N -3.28 2.70 0.21 2.41 1.01 -0.85 -4.33 121.20 119.07 1ck4 s ILE 278 Ca 0.27 -1.77 -0.31 0.00 0.00 0.00 0.00 60.65 58.84 1ck4 s ILE 278 Cb -0.15 -2.71 -0.11 0.00 0.01 0.00 0.00 42.46 39.50 1ck4 s ILE 278 CO 0.93 -0.30 1.63 -1.10 0.00 0.00 0.00 174.94 176.11 1ck4 s GLN 279 N 1.12 4.16 -0.08 2.79 -1.52 -0.61 -4.63 119.66 120.90 1ck4 s GLN 279 Ca -0.00 2.50 0.03 0.00 -1.95 0.00 0.00 55.36 55.94 1ck4 s GLN 279 Cb -0.20 -3.09 0.00 0.00 -0.22 0.00 0.00 33.01 29.50 1ck4 s GLN 279 CO -0.04 -0.66 -0.19 1.03 -0.25 0.00 0.00 175.29 175.18 1ck4 s ARG 280 N 0.79 2.40 -0.24 2.91 0.52 -1.26 0.45 118.95 124.53 1ck4 s ARG 280 Ca 0.70 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 55.22 1ck4 s ARG 280 Cb -0.47 -1.88 0.01 0.00 0.52 0.00 0.00 34.95 33.13 1ck4 s ARG 280 CO 0.35 0.13 -0.06 -0.06 0.02 0.00 0.00 175.30 175.68 1ck4 s PHE 281 N 0.44 3.01 -0.18 -0.53 0.08 0.18 -1.22 117.98 119.75 1ck4 s PHE 281 Ca -0.16 -1.33 -0.03 0.00 0.12 0.00 0.00 56.93 55.54 1ck4 s PHE 281 Cb -0.17 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.20 1ck4 s PHE 281 CO 0.06 -0.67 -0.07 -1.54 -0.10 0.00 0.00 175.22 172.90 1ck4 s SER 282 N 1.38 4.24 -0.24 1.36 1.04 -0.85 -1.15 113.70 119.49 1ck4 s SER 282 Ca 0.03 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.06 1ck4 s SER 282 Cb -0.16 -1.70 -0.01 0.00 0.10 0.00 0.00 66.02 64.26 1ck4 s SER 282 CO -0.04 0.06 0.00 -0.63 0.98 0.00 0.00 173.24 173.61 1ck4 s ILE 283 N 0.98 3.67 -0.29 -1.02 1.01 -0.29 -0.71 121.20 124.54 1ck4 s ILE 283 Ca -0.01 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1ck4 s ILE 283 Cb -0.15 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 1ck4 s ILE 283 CO -0.00 0.34 0.15 0.00 0.00 0.00 0.00 174.94 175.43 1ck4 s ALA 284 N 1.51 3.33 -0.28 9.38 0.00 0.22 -2.04 121.76 133.88 1ck4 s ALA 284 Ca 0.05 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 50.56 1ck4 s ALA 284 Cb -0.15 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1ck4 s ALA 284 CO -0.01 -0.73 0.61 0.42 0.00 0.00 0.00 175.76 176.05 1ck4 s ILE 285 N 1.66 4.98 -2.25 0.00 1.01 -0.13 -0.37 121.20 126.10 1ck4 s ILE 285 Ca 0.06 0.96 0.20 0.00 0.00 0.00 0.00 60.65 61.87 1ck4 s ILE 285 Cb -0.16 -3.94 0.44 0.00 0.01 0.00 0.00 42.46 38.81 1ck4 s ILE 285 CO 0.07 -0.03 1.45 0.18 0.00 0.00 0.00 174.94 176.61 1ck4 n LEU 286 N 5.75 2.48 0.00 2.97 4.77 0.77 -4.35 117.00 129.38 1ck4 n LEU 286 Ca -0.01 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 1ck4 n LEU 286 Cb 0.49 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1ck4 n LEU 286 CO 0.44 0.56 0.37 0.61 -1.33 0.00 0.00 177.39 178.03 1ck4 n GLY 287 N 1.28 -3.19 0.31 -0.72 0.00 -0.68 -0.72 105.19 101.49 1ck4 n GLY 287 Ca 0.17 0.46 0.11 0.00 0.00 0.00 0.00 46.02 46.76 1ck4 n GLY 287 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ck4 h HIS 288 N 0.00 0.72 -0.59 1.61 -0.00 -1.85 0.94 115.15 115.98 1ck4 h HIS 288 Ca 0.00 0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.34 1ck4 h HIS 288 Cb 0.00 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.20 1ck4 h HIS 288 CO -0.26 0.06 0.12 1.88 -0.00 0.00 0.00 177.93 179.73 1ck4 h TYR 289 N 0.51 1.03 -0.33 5.26 -1.99 -1.79 -0.68 116.97 118.97 1ck4 h TYR 289 Ca 0.52 -0.14 -0.17 0.00 2.00 0.00 0.00 58.73 60.95 1ck4 h TYR 289 Cb 0.89 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 39.33 1ck4 h TYR 289 CO -0.11 0.88 -0.46 -0.91 -0.00 0.00 0.00 178.16 177.57 1ck4 h ASN 290 N 0.88 0.96 -0.37 3.88 2.35 0.31 -0.25 115.58 123.34 1ck4 h ASN 290 Ca 0.18 -0.47 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 1ck4 h ASN 290 Cb 0.39 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1ck4 h ASN 290 CO 0.01 1.27 0.15 0.03 -1.65 0.00 0.00 177.43 177.23 1ck4 h ARG 291 N 0.70 0.62 -0.15 0.81 3.08 -0.66 -2.13 114.38 116.66 1ck4 h ARG 291 Ca 0.04 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ck4 h ARG 291 Cb 1.05 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1ck4 h ARG 291 CO 0.11 0.54 0.00 0.41 -1.07 0.00 0.00 179.97 179.96 1ck4 n GLY 292 N -1.09 0.06 3.30 0.04 0.00 -0.28 -4.92 105.19 102.29 1ck4 n GLY 292 Ca 0.03 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 1ck4 n GLY 292 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ck4 n ASN 293 N 0.12 -5.27 -4.63 1.61 4.13 -0.80 -5.02 115.26 105.40 1ck4 n ASN 293 Ca 0.15 -0.48 -0.29 0.00 1.68 0.00 0.00 54.58 55.64 1ck4 n ASN 293 Cb 0.27 -4.46 -0.09 0.00 -1.54 0.00 0.00 39.78 33.96 1ck4 n ASN 293 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ck4 s LEU 294 N -6.40 3.25 0.51 3.41 1.43 -0.15 -5.04 118.68 115.68 1ck4 s LEU 294 Ca 0.44 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 1ck4 s LEU 294 Cb -0.19 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 1ck4 s LEU 294 CO 0.64 0.15 1.24 -0.44 0.23 0.00 0.00 176.35 178.17 1ck4 s SER 295 N -2.43 5.72 0.00 2.29 0.01 -1.26 -4.52 113.70 113.50 1ck4 s SER 295 Ca 0.24 2.47 0.00 0.00 1.31 0.00 0.00 55.95 59.97 1ck4 s SER 295 Cb -0.11 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1ck4 s SER 295 CO 0.16 -1.24 0.65 0.35 0.41 0.00 0.00 173.24 173.57 1ck4 n THR 296 N -0.84 0.37 -0.10 1.44 -2.24 -1.26 -4.77 114.28 106.87 1ck4 n THR 296 Ca 0.09 -0.62 -0.09 0.00 -2.27 0.00 0.00 64.05 61.16 1ck4 n THR 296 Cb 0.47 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 1ck4 n THR 296 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1ck4 h GLU 297 N 0.00 -0.29 0.00 -0.78 -0.00 -2.00 0.12 114.58 111.64 1ck4 h GLU 297 Ca 0.00 0.02 -0.19 0.00 -0.00 0.00 0.00 59.36 59.19 1ck4 h GLU 297 Cb 0.28 0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 29.08 1ck4 h GLU 297 CO 0.00 -0.19 -0.85 0.87 -0.00 0.00 0.00 179.01 178.84 1ck4 h LYS 298 N -0.30 0.12 -0.36 1.06 1.57 -2.00 -3.02 116.57 113.64 1ck4 h LYS 298 Ca 0.15 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1ck4 h LYS 298 Cb 0.56 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1ck4 h LYS 298 CO -0.52 0.89 0.08 0.35 -0.57 0.00 0.00 179.45 179.69 1ck4 h PHE 299 N 0.07 0.62 -0.21 -1.35 3.57 -1.72 -1.64 116.94 116.28 1ck4 h PHE 299 Ca -0.03 -0.08 -0.11 0.00 3.53 0.00 0.00 57.97 61.29 1ck4 h PHE 299 Cb 1.47 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1ck4 h PHE 299 CO 0.02 0.62 -0.32 -0.24 -2.23 0.00 0.00 178.31 176.15 1ck4 h VAL 300 N 0.44 1.28 -0.40 1.41 3.04 -0.83 -2.50 116.25 118.69 1ck4 h VAL 300 Ca 0.11 -1.39 -0.14 0.00 -1.01 0.00 0.00 66.70 64.27 1ck4 h VAL 300 Cb 0.32 1.48 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1ck4 h VAL 300 CO 0.00 0.43 -0.30 -0.08 -1.01 0.00 0.00 177.57 176.62 1ck4 h GLU 301 N 0.38 0.91 -0.27 4.17 4.81 -1.38 0.98 114.58 124.17 1ck4 h GLU 301 Ca 0.05 -0.44 -0.11 0.00 -0.13 0.00 0.00 59.36 58.72 1ck4 h GLU 301 Cb 0.76 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 1ck4 h GLU 301 CO 0.06 1.10 -0.31 1.49 -0.73 0.00 0.00 179.01 180.62 1ck4 h GLU 302 N 0.73 0.56 -0.07 1.92 4.81 -1.22 -1.01 114.58 120.31 1ck4 h GLU 302 Ca 0.08 -0.24 -0.22 0.00 -0.13 0.00 0.00 59.36 58.84 1ck4 h GLU 302 Cb 0.88 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.26 1ck4 h GLU 302 CO 0.08 0.80 -0.83 0.82 -0.73 0.00 0.00 179.01 179.15 1ck4 h ILE 303 N 0.48 1.31 -0.35 2.32 1.08 -1.37 -3.04 117.51 117.94 1ck4 h ILE 303 Ca 0.06 -2.08 0.07 0.00 -0.39 0.00 0.00 64.86 62.52 1ck4 h ILE 303 Cb 0.78 2.25 -0.06 0.00 -3.07 0.00 0.00 36.82 36.72 1ck4 h ILE 303 CO 0.06 0.64 -0.03 0.50 -0.69 0.00 0.00 178.15 178.63 1ck4 h LYS 304 N 0.35 0.06 0.00 2.37 3.64 -0.68 -1.82 116.57 120.48 1ck4 h LYS 304 Ca -0.08 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1ck4 h LYS 304 Cb 1.48 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1ck4 h LYS 304 CO 0.17 0.04 0.03 -1.13 -2.27 0.00 0.00 179.45 176.29 1ck4 n SER 305 N -5.22 0.00 -0.07 4.20 3.41 -0.39 -1.31 113.62 114.24 1ck4 n SER 305 Ca 0.01 0.14 -0.04 0.00 -0.26 0.00 0.00 58.87 58.73 1ck4 n SER 305 Cb 0.19 -0.14 -0.15 0.00 -0.26 0.00 0.00 64.21 63.85 1ck4 n SER 305 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1ck4 n ILE 306 N -1.09 0.91 -2.03 -1.33 5.41 -0.69 -4.97 119.36 115.57 1ck4 n ILE 306 Ca 0.00 -0.69 -0.39 0.00 1.00 0.00 0.00 62.75 62.67 1ck4 n ILE 306 Cb 0.03 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 1ck4 n ILE 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ck4 s ALA 307 N -2.70 3.14 0.77 -1.39 0.00 -0.43 -4.78 121.76 116.36 1ck4 s ALA 307 Ca -0.09 1.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.96 1ck4 s ALA 307 Cb 0.07 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.77 1ck4 s ALA 307 CO 0.77 -0.90 1.14 -1.12 0.00 0.00 0.00 175.76 175.65 1ck4 s SER 308 N -0.87 4.19 0.32 0.00 0.01 -0.36 -4.78 113.70 112.20 1ck4 s SER 308 Ca 0.61 2.10 -0.27 0.00 1.31 0.00 0.00 55.95 59.69 1ck4 s SER 308 Cb -0.37 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.21 1ck4 s SER 308 CO 0.47 -2.26 1.00 -1.61 0.41 0.00 0.00 173.24 171.25 1ck4 s GLU 309 N -4.38 4.53 0.07 12.44 0.41 -1.26 -3.59 118.70 126.92 1ck4 s GLU 309 Ca 0.67 1.50 -0.30 0.00 -0.41 0.00 0.00 54.97 56.44 1ck4 s GLU 309 Cb -0.23 -2.89 -0.05 0.00 -1.78 0.00 0.00 34.13 29.18 1ck4 s GLU 309 CO 0.50 0.19 1.02 -1.25 -0.49 0.00 0.00 175.26 175.24 1ck4 s PRO 310 N -1.90 4.59 0.47 0.39 0.04 -1.26 -5.01 135.00 132.32 1ck4 s PRO 310 Ca 0.49 1.53 0.18 0.00 0.04 0.00 0.00 61.00 63.24 1ck4 s PRO 310 Cb -0.23 -3.39 1.16 0.00 0.04 0.00 0.00 34.50 32.07 1ck4 s PRO 310 CO 0.30 0.03 1.98 0.00 0.04 0.00 0.00 177.00 179.34 1ck4 h THR 311 N 4.35 0.83 0.00 1.26 1.03 -1.86 -0.13 112.91 118.39 1ck4 h THR 311 Ca -0.42 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 1ck4 h THR 311 Cb 1.21 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 1ck4 h THR 311 CO 0.74 0.05 0.00 1.05 -0.01 0.00 0.00 175.52 177.35 1ck4 h GLU 312 N 0.27 0.00 0.08 0.00 9.09 -1.89 -2.00 114.58 120.13 1ck4 h GLU 312 Ca 0.27 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.34 1ck4 h GLU 312 Cb 0.71 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.79 1ck4 h GLU 312 CO -0.06 0.00 -1.91 1.17 0.05 0.00 0.00 179.01 178.26 1ck4 n LYS 313 N -2.46 0.72 -0.00 1.06 0.00 -0.07 -4.54 118.16 112.86 1ck4 n LYS 313 Ca 0.03 0.27 0.08 0.00 0.00 0.00 0.00 58.31 58.69 1ck4 n LYS 313 Cb 0.30 -1.73 -0.11 0.00 0.00 0.00 0.00 35.03 33.49 1ck4 n LYS 313 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ck4 n HIS 314 N -3.33 0.00 -3.37 5.64 -0.00 -1.14 -4.95 115.22 108.06 1ck4 n HIS 314 Ca -0.27 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.07 1ck4 n HIS 314 Cb 1.05 -0.13 -0.06 0.00 -0.00 0.00 0.00 29.99 30.85 1ck4 n HIS 314 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 1ck4 s PHE 315 N -2.76 3.68 -0.13 4.41 5.36 -0.76 -2.00 117.98 125.78 1ck4 s PHE 315 Ca 0.02 1.04 0.01 0.00 -0.96 0.00 0.00 56.93 57.04 1ck4 s PHE 315 Cb 0.12 -2.44 0.02 0.00 -0.34 0.00 0.00 43.02 40.38 1ck4 s PHE 315 CO 0.68 0.46 -0.15 -0.06 -1.46 0.00 0.00 175.22 174.69 1ck4 s PHE 316 N -0.49 2.12 -0.50 10.12 0.08 0.11 -4.86 117.98 124.57 1ck4 s PHE 316 Ca 0.26 -1.10 -0.13 0.00 0.12 0.00 0.00 56.93 56.07 1ck4 s PHE 316 Cb -0.17 -1.54 0.11 0.00 -0.57 0.00 0.00 43.02 40.86 1ck4 s PHE 316 CO 0.14 -0.58 0.41 1.21 -0.10 0.00 0.00 175.22 176.30 1ck4 s ASN 317 N 1.23 5.98 -0.20 1.36 3.84 -1.26 -0.61 114.94 125.28 1ck4 s ASN 317 Ca -0.01 -1.73 -0.11 0.00 0.21 0.00 0.00 52.86 51.23 1ck4 s ASN 317 Cb -0.14 -2.12 -0.05 0.00 -0.55 0.00 0.00 41.25 38.39 1ck4 s ASN 317 CO -0.06 -0.75 0.17 -0.69 -2.79 0.00 0.00 177.10 172.98 1ck4 s VAL 318 N 1.52 5.38 0.14 -5.21 1.01 0.50 -4.98 120.40 118.75 1ck4 s VAL 318 Ca 0.04 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.03 1ck4 s VAL 318 Cb -0.27 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1ck4 s VAL 318 CO 0.02 0.41 1.62 -1.28 0.00 0.00 0.00 175.10 175.87 1ck4 h SER 319 N 6.85 -0.92 -5.20 3.32 0.87 -1.89 0.22 113.55 116.80 1ck4 h SER 319 Ca -0.40 0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.20 1ck4 h SER 319 Cb 1.16 0.39 -0.04 0.00 -0.44 0.00 0.00 62.40 63.47 1ck4 h SER 319 CO 0.74 -0.34 0.06 1.51 -0.53 0.00 0.00 176.83 178.27 1ck4 s ASP 320 N -4.94 0.25 0.20 6.23 -4.77 -1.26 -1.68 116.67 110.70 1ck4 s ASP 320 Ca -0.15 -1.16 -0.10 0.00 -3.30 0.00 0.00 52.55 47.84 1ck4 s ASP 320 Cb 0.11 0.74 0.23 0.00 -1.09 0.00 0.00 42.92 42.90 1ck4 s ASP 320 CO 0.66 -1.44 1.80 -0.33 0.70 0.00 0.00 175.17 176.56 1ck4 h GLU 321 N 2.07 0.60 -0.52 2.11 3.07 -1.96 -2.40 114.58 117.56 1ck4 h GLU 321 Ca -0.28 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 1ck4 h GLU 321 Cb 1.25 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.99 1ck4 h GLU 321 CO 0.37 0.40 0.26 -0.07 -1.40 0.00 0.00 179.01 178.57 1ck4 h LEU 322 N 0.62 0.65 -0.31 1.33 3.38 -1.94 -2.35 115.31 116.69 1ck4 h LEU 322 Ca 0.29 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ck4 h LEU 322 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ck4 h LEU 322 CO -0.19 0.54 0.00 0.00 0.09 0.00 0.00 178.44 178.89 1ck4 n ALA 323 N -2.46 2.43 -0.01 1.53 0.00 -0.90 -3.77 120.51 117.33 1ck4 n ALA 323 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1ck4 n ALA 323 Cb 0.12 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 1ck4 n ALA 323 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ck4 h LEU 324 N 0.02 0.40 -0.45 0.00 3.38 -1.45 -3.26 115.31 113.94 1ck4 h LEU 324 Ca 0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1ck4 h LEU 324 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ck4 h LEU 324 CO 0.00 1.10 0.00 1.33 0.09 0.00 0.00 178.44 180.96 1ck4 n VAL 325 N -4.35 0.00 -0.84 1.22 0.24 -1.25 -1.28 118.33 112.07 1ck4 n VAL 325 Ca -0.10 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.27 1ck4 n VAL 325 Cb 0.59 -0.26 0.09 0.00 -1.47 0.00 0.00 33.84 32.79 1ck4 n VAL 325 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1ck4 n THR 326 N -0.11 1.49 -0.23 3.34 -2.24 -1.23 -4.52 114.28 110.78 1ck4 n THR 326 Ca 0.00 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.04 1ck4 n THR 326 Cb 0.03 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1ck4 n THR 326 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1ck4 n ILE 327 N -1.07 0.00 0.06 2.28 5.41 -0.41 -4.75 119.36 120.88 1ck4 n ILE 327 Ca 0.10 -0.38 0.01 0.00 1.00 0.00 0.00 62.75 63.48 1ck4 n ILE 327 Cb 0.54 1.23 0.32 0.00 -0.71 0.00 0.00 39.64 41.03 1ck4 n ILE 327 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1ck4 h VAL 328 N 0.23 1.20 -0.11 1.39 -1.51 -1.79 -2.49 116.25 113.18 1ck4 h VAL 328 Ca 0.00 -0.89 -0.06 0.00 -1.23 0.00 0.00 66.70 64.53 1ck4 h VAL 328 Cb 0.12 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1ck4 h VAL 328 CO 0.00 0.28 -0.16 0.11 -1.23 0.00 0.00 177.57 176.57 1ck4 h LYS 329 N 0.34 0.29 -0.05 5.19 6.56 -1.92 -1.18 116.57 125.81 1ck4 h LYS 329 Ca 0.07 -0.18 -0.13 0.00 -1.06 0.00 0.00 60.65 59.35 1ck4 h LYS 329 Cb 0.42 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 1ck4 h LYS 329 CO 0.02 0.75 -0.56 0.00 -2.06 0.00 0.00 179.45 177.60 1ck4 h ALA 330 N 0.54 0.96 0.03 3.86 0.00 -1.90 -2.63 119.26 120.12 1ck4 h ALA 330 Ca 0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 1ck4 h ALA 330 Cb 0.72 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1ck4 h ALA 330 CO 0.04 0.70 -0.74 1.25 0.00 0.00 0.00 179.25 180.50 1ck4 h LEU 331 N 0.12 0.60 -0.89 0.00 6.46 -1.51 -2.07 115.31 118.02 1ck4 h LEU 331 Ca -0.00 -0.79 0.00 0.00 -0.12 0.00 0.00 57.88 56.97 1ck4 h LEU 331 Cb 1.03 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1ck4 h LEU 331 CO 0.08 1.32 0.00 1.23 -0.62 0.00 0.00 178.44 180.45 1ck4 h GLY 332 N -0.04 0.00 0.00 3.75 0.00 -1.20 -2.00 103.07 103.58 1ck4 h GLY 332 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.94 1ck4 h GLY 332 CO 0.14 0.00 -2.09 -1.84 0.00 0.00 0.00 176.54 172.75 1ck4 n GLU 333 N -2.31 0.97 0.28 4.80 0.28 -1.00 -4.02 120.64 119.64 1ck4 n GLU 333 Ca 0.01 0.06 0.17 0.00 -0.16 0.00 0.00 57.16 57.24 1ck4 n GLU 333 Cb 0.21 -1.40 0.72 0.00 1.43 0.00 0.00 31.44 32.40 1ck4 n GLU 333 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ck4 h ARG 334 N 0.00 0.00 0.17 3.44 3.08 -1.33 0.53 114.38 120.28 1ck4 h ARG 334 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 1ck4 h ARG 334 Cb 1.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.87 1ck4 h ARG 334 CO -0.02 0.03 -0.08 0.97 -1.07 0.00 0.00 179.97 179.79 1ck4 h ILE 335 N 0.00 0.22 -0.00 2.04 6.09 -1.55 -3.33 117.51 120.98 1ck4 h ILE 335 Ca -0.00 -0.95 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 1ck4 h ILE 335 Cb 0.48 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.16 1ck4 h ILE 335 CO 0.00 0.07 -0.15 0.49 -3.07 0.00 0.00 178.15 175.49 1ck4 n PHE 336 N -4.92 0.00 0.00 2.19 3.72 -1.21 -5.12 117.46 112.12 1ck4 n PHE 336 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1ck4 n PHE 336 Cb 0.14 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 1ck4 n PHE 336 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71