#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ck4 s GLN 146 N 0.00 3.31 -0.02 1.09 -0.21 -1.26 -3.57 119.66 119.00 1ck4 s GLN 146 Ca 0.00 -0.35 -0.03 0.00 0.02 0.00 0.00 55.36 55.01 1ck4 s GLN 146 Cb 0.00 -4.05 0.00 0.00 1.00 0.00 0.00 33.01 29.96 1ck4 s GLN 146 CO 0.00 -1.41 0.06 -0.51 -2.12 0.00 0.00 175.29 171.31 1ck4 s LEU 147 N 3.68 1.79 -0.31 2.90 1.02 -1.24 -4.31 118.68 122.21 1ck4 s LEU 147 Ca 0.28 0.00 -0.08 0.00 0.02 0.00 0.00 54.13 54.35 1ck4 s LEU 147 Cb -0.14 0.27 0.01 0.00 0.02 0.00 0.00 46.19 46.35 1ck4 s LEU 147 CO 0.18 -0.11 0.11 -1.81 0.02 0.00 0.00 176.35 174.75 1ck4 s ASP 148 N -0.36 5.29 -0.08 2.29 1.01 -0.87 -0.45 116.67 123.50 1ck4 s ASP 148 Ca -0.04 -0.69 0.03 0.00 0.71 0.00 0.00 52.55 52.56 1ck4 s ASP 148 Cb -0.03 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 41.96 1ck4 s ASP 148 CO 0.00 -0.21 -0.16 -0.63 0.21 0.00 0.00 175.17 174.38 1ck4 s ILE 149 N 1.53 2.84 -0.14 0.77 1.01 0.14 -1.19 121.20 126.16 1ck4 s ILE 149 Ca 0.03 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1ck4 s ILE 149 Cb -0.17 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1ck4 s ILE 149 CO 0.04 0.56 -0.20 -0.69 0.00 0.00 0.00 174.94 174.65 1ck4 s VAL 150 N -0.18 1.93 -0.22 2.92 1.01 0.06 -1.02 120.40 124.90 1ck4 s VAL 150 Ca -0.01 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1ck4 s VAL 150 Cb -0.13 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1ck4 s VAL 150 CO 0.03 0.52 0.43 -0.63 0.00 0.00 0.00 175.10 175.46 1ck4 s ILE 151 N 0.92 5.16 -0.39 2.22 1.01 -0.75 -1.36 121.20 128.01 1ck4 s ILE 151 Ca -0.05 0.75 -0.07 0.00 0.00 0.00 0.00 60.65 61.28 1ck4 s ILE 151 Cb -0.15 -3.75 0.07 0.00 0.01 0.00 0.00 42.46 38.64 1ck4 s ILE 151 CO -0.03 0.21 0.20 -0.69 0.00 0.00 0.00 174.94 174.62 1ck4 s VAL 152 N 1.59 3.87 -0.21 2.92 1.01 -0.18 -0.44 120.40 128.95 1ck4 s VAL 152 Ca 0.20 -1.46 -0.06 0.00 0.00 0.00 0.00 61.98 60.65 1ck4 s VAL 152 Cb -0.15 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 1ck4 s VAL 152 CO 0.09 -0.44 0.03 -0.22 0.00 0.00 0.00 175.10 174.56 1ck4 s LEU 153 N 1.35 3.41 -0.35 3.92 2.96 0.00 -1.33 118.68 128.64 1ck4 s LEU 153 Ca 0.02 -0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.49 1ck4 s LEU 153 Cb -0.22 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1ck4 s LEU 153 CO 0.01 0.05 1.57 -0.62 -1.32 0.00 0.00 176.35 176.04 1ck4 s ASP 154 N 1.12 6.20 -0.35 3.68 -1.08 0.21 -1.40 116.67 125.05 1ck4 s ASP 154 Ca 0.03 1.13 0.09 0.00 -0.52 0.00 0.00 52.55 53.28 1ck4 s ASP 154 Cb -0.14 -2.53 0.69 0.00 -1.46 0.00 0.00 42.92 39.47 1ck4 s ASP 154 CO 0.02 -1.49 1.78 0.61 0.52 0.00 0.00 175.17 176.62 1ck4 n GLY 155 N 5.10 4.07 2.69 2.66 0.00 0.10 -4.89 105.19 114.92 1ck4 n GLY 155 Ca 0.19 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 1ck4 n GLY 155 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ck4 n SER 156 N -0.58 -3.66 0.03 1.61 3.41 -1.26 -1.46 113.62 111.71 1ck4 n SER 156 Ca 0.44 -0.67 0.13 0.00 -0.26 0.00 0.00 58.87 58.51 1ck4 n SER 156 Cb 1.40 -0.81 0.32 0.00 -0.26 0.00 0.00 64.21 64.86 1ck4 n SER 156 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ck4 n ASN 157 N -4.57 0.48 0.06 4.04 5.03 -1.25 -4.42 115.26 114.64 1ck4 n ASN 157 Ca 0.11 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.65 1ck4 n ASN 157 Cb 0.46 -0.03 -0.06 0.00 -1.02 0.00 0.00 39.78 39.13 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 0.00 -1.74 6.41 4.64 -1.92 -3.43 113.55 117.52 1ck4 h SER 158 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1ck4 h SER 158 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1ck4 h SER 158 CO 0.00 0.58 1.58 -0.63 -0.87 0.00 0.00 176.83 177.49 1ck4 s ILE 159 N -2.92 3.05 -0.00 0.95 1.09 -1.26 -4.75 121.20 117.35 1ck4 s ILE 159 Ca -0.01 0.03 -0.01 0.00 -1.10 0.00 0.00 60.65 59.57 1ck4 s ILE 159 Cb 0.08 -3.11 -0.00 0.00 -1.06 0.00 0.00 42.46 38.37 1ck4 s ILE 159 CO 0.80 -0.10 0.29 0.22 -0.10 0.00 0.00 174.94 176.04 1ck4 h TYR 160 N 18.30 -0.02 -1.86 3.97 3.20 -1.96 -3.37 116.97 135.23 1ck4 h TYR 160 Ca -0.27 -0.00 -0.48 0.00 3.14 0.00 0.00 58.73 61.11 1ck4 h TYR 160 Cb 1.25 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 1ck4 h TYR 160 CO 0.97 -0.02 1.40 -2.14 -1.64 0.00 0.00 178.16 176.73 1ck4 s PRO 161 N -1.64 2.49 0.27 1.82 0.02 -1.26 -4.66 135.00 132.05 1ck4 s PRO 161 Ca -0.00 0.77 0.00 0.00 0.02 0.00 0.00 61.00 61.78 1ck4 s PRO 161 Cb 0.00 -4.45 0.39 0.00 0.02 0.00 0.00 34.50 30.46 1ck4 s PRO 161 CO 0.01 -2.89 1.76 2.35 -0.33 0.00 0.00 177.00 177.90 1ck4 h TRP 162 N 15.92 0.72 -0.01 6.54 2.91 -1.99 -1.49 115.95 138.54 1ck4 h TRP 162 Ca -0.25 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.67 1ck4 h TRP 162 Cb 1.18 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 29.64 1ck4 h TRP 162 CO 1.03 0.73 0.05 1.05 -1.03 0.00 0.00 178.44 180.27 1ck4 h GLU 163 N 0.62 0.00 -0.03 2.65 4.11 -1.96 -1.74 114.58 118.23 1ck4 h GLU 163 Ca 0.11 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.34 1ck4 h GLU 163 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1ck4 h GLU 163 CO 0.03 0.00 -0.86 0.77 0.07 0.00 0.00 179.01 179.02 1ck4 h SER 164 N 0.00 0.49 0.02 3.06 0.02 -1.63 0.89 113.55 116.40 1ck4 h SER 164 Ca 0.01 -0.36 -0.26 0.00 -0.84 0.00 0.00 61.79 60.33 1ck4 h SER 164 Cb 0.11 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.52 1ck4 h SER 164 CO -0.00 1.14 -1.03 1.62 -1.14 0.00 0.00 176.83 177.42 1ck4 h VAL 165 N 0.24 1.30 -0.15 2.27 3.04 -1.38 -1.67 116.25 119.90 1ck4 h VAL 165 Ca -0.06 -2.26 -0.06 0.00 -1.01 0.00 0.00 66.70 63.31 1ck4 h VAL 165 Cb 1.47 2.46 -0.01 0.00 -2.01 0.00 0.00 31.29 33.20 1ck4 h VAL 165 CO 0.15 0.69 -0.16 0.40 -1.01 0.00 0.00 177.57 177.64 1ck4 h ILE 166 N 0.32 1.19 -0.22 3.17 1.08 -1.42 0.13 117.51 121.76 1ck4 h ILE 166 Ca -0.13 -0.86 -0.16 0.00 -0.39 0.00 0.00 64.86 63.31 1ck4 h ILE 166 Cb 1.69 1.26 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 1ck4 h ILE 166 CO 0.20 0.27 -0.52 0.00 -0.69 0.00 0.00 178.15 177.41 1ck4 h ALA 167 N 1.62 0.67 -0.46 1.87 0.00 -0.75 -1.14 119.26 121.07 1ck4 h ALA 167 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1ck4 h ALA 167 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ck4 h ALA 167 CO 0.03 0.68 0.26 0.35 0.00 0.00 0.00 179.25 180.57 1ck4 h PHE 168 N 0.49 0.63 -0.34 0.00 3.57 -0.26 -1.76 116.94 119.27 1ck4 h PHE 168 Ca 0.02 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1ck4 h PHE 168 Cb 1.07 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1ck4 h PHE 168 CO 0.05 0.46 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.19 1ck4 h LEU 169 N 0.61 0.77 0.02 0.59 3.38 -0.94 -2.42 115.31 117.32 1ck4 h LEU 169 Ca 0.16 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ck4 h LEU 169 Cb 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1ck4 h LEU 169 CO -0.03 1.03 -0.01 -1.13 0.09 0.00 0.00 178.44 178.40 1ck4 h ASN 170 N 0.62 -0.02 -0.00 -0.43 -0.73 -0.95 -0.18 115.58 113.89 1ck4 h ASN 170 Ca 0.07 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.12 1ck4 h ASN 170 Cb 0.85 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.44 1ck4 h ASN 170 CO 0.07 0.06 -0.10 0.44 -0.37 0.00 0.00 177.43 177.53 1ck4 h ASP 171 N -0.10 0.22 -0.04 1.15 3.32 -1.33 -0.30 116.42 119.34 1ck4 h ASP 171 Ca -0.00 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1ck4 h ASP 171 Cb 0.09 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1ck4 h ASP 171 CO 0.00 0.36 -0.31 0.25 -1.72 0.00 0.00 179.24 177.81 1ck4 h LEU 172 N 0.23 0.35 -0.23 1.55 6.46 -1.24 -3.36 115.31 119.07 1ck4 h LEU 172 Ca 0.05 -0.69 -0.11 0.00 -0.12 0.00 0.00 57.88 57.02 1ck4 h LEU 172 Cb 0.33 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1ck4 h LEU 172 CO 0.02 0.98 -0.27 -0.07 -0.62 0.00 0.00 178.44 178.49 1ck4 h LEU 173 N -0.25 0.64 -0.92 2.25 3.38 -0.87 -3.21 115.31 116.33 1ck4 h LEU 173 Ca -0.03 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1ck4 h LEU 173 Cb 0.99 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1ck4 h LEU 173 CO 0.06 1.00 0.10 2.29 0.09 0.00 0.00 178.44 181.98 1ck4 n LYS 174 N -4.34 0.09 0.10 1.13 2.85 -0.14 -0.94 118.16 116.90 1ck4 n LYS 174 Ca -0.05 0.57 0.12 0.00 -1.05 0.00 0.00 58.31 57.89 1ck4 n LYS 174 Cb 0.45 -1.90 0.05 0.00 -0.65 0.00 0.00 35.03 32.99 1ck4 n LYS 174 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1ck4 h ARG 175 N 0.00 0.00 -7.58 -1.58 2.43 -1.69 -3.47 114.38 102.48 1ck4 h ARG 175 Ca 0.00 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.71 1ck4 h ARG 175 Cb 0.20 0.00 0.12 0.00 -0.42 0.00 0.00 29.97 29.87 1ck4 h ARG 175 CO 0.00 0.00 0.34 -1.64 -1.51 0.00 0.00 179.97 177.16 1ck4 s MET 176 N -3.30 1.42 -0.30 0.20 1.00 -0.12 -5.05 119.30 113.14 1ck4 s MET 176 Ca 0.02 -0.33 0.04 0.00 0.00 0.00 0.00 55.69 55.42 1ck4 s MET 176 Cb 0.10 -2.00 0.08 0.00 0.00 0.00 0.00 34.83 33.02 1ck4 s MET 176 CO 0.77 -1.85 -0.02 0.34 0.00 0.00 0.00 175.02 174.26 1ck4 s ASP 177 N -4.72 4.62 -0.18 3.03 -1.08 -1.26 -4.88 116.67 112.20 1ck4 s ASP 177 Ca 0.67 -1.83 -0.14 0.00 -0.52 0.00 0.00 52.55 50.74 1ck4 s ASP 177 Cb -0.07 -1.58 -0.05 0.00 -1.46 0.00 0.00 42.92 39.76 1ck4 s ASP 177 CO 0.49 -0.30 0.28 -0.63 0.52 0.00 0.00 175.17 175.54 1ck4 s ILE 178 N 1.00 5.30 0.00 4.11 -1.09 -1.26 -1.53 121.20 127.73 1ck4 s ILE 178 Ca 0.02 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 1ck4 s ILE 178 Cb -0.19 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1ck4 s ILE 178 CO -0.07 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 1ck4 n GLY 179 N 3.62 1.20 0.38 6.18 0.00 -0.15 -3.16 105.19 113.26 1ck4 n GLY 179 Ca -0.12 -0.79 0.20 0.00 0.00 0.00 0.00 46.02 45.31 1ck4 n GLY 179 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ck4 h PRO 180 N 0.00 0.00 -0.02 1.61 0.11 -1.84 -1.38 132.00 130.48 1ck4 h PRO 180 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1ck4 h PRO 180 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1ck4 h PRO 180 CO 0.00 0.00 -0.38 1.63 -0.21 0.00 0.00 178.00 179.04 1ck4 n LYS 181 N -3.89 1.43 0.00 1.05 4.76 -1.26 -4.94 118.16 115.30 1ck4 n LYS 181 Ca 0.07 -1.11 0.00 0.00 -2.87 0.00 0.00 58.31 54.40 1ck4 n LYS 181 Cb 0.58 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 1ck4 n LYS 181 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1ck4 n GLN 182 N 0.17 0.00 -3.58 1.97 1.13 -0.52 -4.81 117.38 111.75 1ck4 n GLN 182 Ca 0.10 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.86 1ck4 n GLN 182 Cb 0.47 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.78 1ck4 n GLN 182 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1ck4 s THR 183 N 3.81 5.12 -0.04 5.09 -1.32 -0.58 -3.63 115.64 124.08 1ck4 s THR 183 Ca 0.00 -0.02 0.05 0.00 -1.21 0.00 0.00 61.69 60.51 1ck4 s THR 183 Cb 0.00 -3.68 -0.01 0.00 -1.51 0.00 0.00 72.50 67.31 1ck4 s THR 183 CO 0.00 -0.11 -0.20 -1.10 -2.21 0.00 0.00 174.62 171.00 1ck4 s GLN 184 N -3.06 2.02 -0.05 7.08 -0.21 0.40 -0.98 119.66 124.86 1ck4 s GLN 184 Ca 0.42 -0.72 0.05 0.00 0.02 0.00 0.00 55.36 55.13 1ck4 s GLN 184 Cb -0.11 -1.75 -0.01 0.00 1.00 0.00 0.00 33.01 32.14 1ck4 s GLN 184 CO 0.27 0.31 -0.19 0.08 -2.12 0.00 0.00 175.29 173.63 1ck4 s VAL 185 N -0.09 1.59 0.08 1.09 1.01 -1.26 0.27 120.40 123.09 1ck4 s VAL 185 Ca -0.02 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.21 1ck4 s VAL 185 Cb -0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1ck4 s VAL 185 CO 0.02 0.45 -0.16 -0.83 0.00 0.00 0.00 175.10 174.59 1ck4 s GLY 186 N -0.03 0.97 -0.07 4.51 0.00 -0.19 -4.37 107.32 108.14 1ck4 s GLY 186 Ca -0.03 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.66 1ck4 s GLY 186 CO 0.02 -1.09 -0.18 -0.42 0.00 0.00 0.00 173.10 171.44 1ck4 s ILE 187 N -1.23 1.53 -0.09 0.90 1.01 -0.19 -1.81 121.20 121.32 1ck4 s ILE 187 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 59.96 1ck4 s ILE 187 Cb -0.10 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1ck4 s ILE 187 CO 0.03 0.44 -0.19 -0.69 0.00 0.00 0.00 174.94 174.53 1ck4 s VAL 188 N 0.37 2.58 0.06 2.92 1.01 0.41 -0.66 120.40 127.10 1ck4 s VAL 188 Ca -0.13 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.09 1ck4 s VAL 188 Cb -0.15 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1ck4 s VAL 188 CO 0.05 0.55 -0.24 -1.58 0.00 0.00 0.00 175.10 173.88 1ck4 s GLN 189 N 0.04 1.81 0.15 2.72 0.74 -0.06 -0.82 119.66 124.24 1ck4 s GLN 189 Ca -0.07 -1.12 0.01 0.00 0.05 0.00 0.00 55.36 54.24 1ck4 s GLN 189 Cb -0.15 -2.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.89 1ck4 s GLN 189 CO 0.05 0.51 -0.00 1.52 -0.55 0.00 0.00 175.29 176.81 1ck4 s TYR 190 N -0.88 1.10 0.00 1.67 1.13 -0.49 -0.69 117.35 119.18 1ck4 s TYR 190 Ca 0.13 -1.03 0.00 0.00 -1.41 0.00 0.00 57.07 54.76 1ck4 s TYR 190 Cb -0.10 -0.63 0.00 0.00 -1.10 0.00 0.00 41.96 40.13 1ck4 s TYR 190 CO 0.04 -0.24 0.00 0.41 -2.51 0.00 0.00 175.55 173.25 1ck4 n GLY 191 N -0.18 -1.62 2.74 5.49 0.00 -1.26 0.00 105.19 110.36 1ck4 n GLY 191 Ca -0.08 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -4.45 1.61 1.02 -0.90 -4.21 120.64 113.72 1ck4 n GLU 192 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1ck4 n GLU 192 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 1ck4 n GLU 192 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ck4 s ASN 193 N 0.00 2.45 -0.12 1.62 0.01 -1.26 -4.86 114.94 112.77 1ck4 s ASN 193 Ca 0.00 -1.36 -0.01 0.00 -0.71 0.00 0.00 52.86 50.78 1ck4 s ASN 193 Cb 0.00 -0.10 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 1ck4 s ASN 193 CO 0.00 -0.58 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.25 1ck4 s VAL 194 N -3.25 3.58 -0.03 1.60 1.01 -1.26 -4.30 120.40 117.76 1ck4 s VAL 194 Ca 0.36 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1ck4 s VAL 194 Cb 0.08 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1ck4 s VAL 194 CO 0.15 0.54 -0.17 0.42 0.00 0.00 0.00 175.10 176.04 1ck4 s THR 195 N -0.03 1.39 -0.49 3.92 -4.23 0.13 -5.01 115.64 111.32 1ck4 s THR 195 Ca -0.00 -0.73 -0.20 0.00 -1.18 0.00 0.00 61.69 59.58 1ck4 s THR 195 Cb -0.14 -1.17 0.05 0.00 1.34 0.00 0.00 72.50 72.58 1ck4 s THR 195 CO 0.03 0.40 0.64 -1.00 -0.54 0.00 0.00 174.62 174.14 1ck4 s HIS 196 N -0.22 3.04 0.12 3.99 3.76 -1.26 -0.88 115.29 123.84 1ck4 s HIS 196 Ca 0.02 -0.37 -0.13 0.00 -0.15 0.00 0.00 55.06 54.43 1ck4 s HIS 196 Cb -0.09 -3.47 -0.07 0.00 1.11 0.00 0.00 32.58 30.06 1ck4 s HIS 196 CO 0.00 -0.99 1.45 0.93 -0.85 0.00 0.00 174.74 175.28 1ck4 h GLU 197 N 8.97 0.80 -1.78 1.40 4.39 -1.25 -3.46 114.58 123.65 1ck4 h GLU 197 Ca -0.27 -0.42 0.01 0.00 0.34 0.00 0.00 59.36 59.03 1ck4 h GLU 197 Cb 1.09 0.01 -0.24 0.00 -0.10 0.00 0.00 28.75 29.52 1ck4 h GLU 197 CO 0.94 1.05 0.31 -0.59 -1.16 0.00 0.00 179.01 179.56 1ck4 s PHE 198 N -4.40 -0.61 0.76 4.33 -0.12 -1.11 -4.97 117.98 111.86 1ck4 s PHE 198 Ca -0.12 1.47 -0.11 0.00 -0.05 0.00 0.00 56.93 58.13 1ck4 s PHE 198 Cb 0.10 0.33 0.05 0.00 -0.63 0.00 0.00 43.02 42.86 1ck4 s PHE 198 CO 0.85 -0.31 1.08 -0.80 -0.05 0.00 0.00 175.22 175.99 1ck4 s ASN 199 N 0.21 4.70 0.46 1.98 -0.87 -1.26 -1.02 114.94 119.14 1ck4 s ASN 199 Ca 0.01 1.62 0.17 0.00 -1.57 0.00 0.00 52.86 53.09 1ck4 s ASN 199 Cb -0.05 -2.39 1.13 0.00 -0.02 0.00 0.00 41.25 39.92 1ck4 s ASN 199 CO -0.02 -1.88 1.99 0.25 -2.57 0.00 0.00 177.10 174.87 1ck4 h LEU 200 N -1.02 0.26 -2.57 0.60 5.85 -1.56 -1.75 115.31 115.12 1ck4 h LEU 200 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1ck4 h LEU 200 Cb 1.24 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1ck4 h LEU 200 CO 0.55 0.15 0.00 -0.46 -0.34 0.00 0.00 178.44 178.34 1ck4 n ASN 201 N -4.46 3.34 -0.07 1.25 2.04 -0.82 -4.12 115.26 112.42 1ck4 n ASN 201 Ca 0.09 -1.95 -0.08 0.00 -0.44 0.00 0.00 54.58 52.20 1ck4 n ASN 201 Cb 0.41 -0.30 -0.01 0.00 -2.53 0.00 0.00 39.78 37.34 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 3.47 0.24 -5.77 -3.83 1.63 -1.59 -3.43 116.57 107.28 1ck4 h LYS 202 Ca 0.00 -0.01 -0.68 0.00 -0.85 0.00 0.00 60.65 59.10 1ck4 h LYS 202 Cb 0.87 -0.05 -0.30 0.00 -0.60 0.00 0.00 32.23 32.14 1ck4 h LYS 202 CO 0.00 0.16 -0.85 0.71 -3.45 0.00 0.00 179.45 176.01 1ck4 s TYR 203 N -6.17 2.55 -0.36 1.91 2.02 -1.26 -5.04 117.35 111.01 1ck4 s TYR 203 Ca -0.13 -0.74 0.07 0.00 -0.37 0.00 0.00 57.07 55.90 1ck4 s TYR 203 Cb 0.10 -1.67 0.60 0.00 -0.40 0.00 0.00 41.96 40.60 1ck4 s TYR 203 CO 0.70 -0.23 1.69 -1.13 -1.57 0.00 0.00 175.55 175.01 1ck4 n SER 204 N 3.12 3.30 -3.52 2.29 3.41 -1.26 -4.68 113.62 116.28 1ck4 n SER 204 Ca -0.18 -3.62 -0.15 0.00 -0.26 0.00 0.00 58.87 54.66 1ck4 n SER 204 Cb 0.52 -0.73 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 1ck4 n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ck4 s SER 205 N -1.85 -0.56 0.22 4.04 1.04 -1.19 -4.33 113.70 111.07 1ck4 s SER 205 Ca 0.51 0.50 -0.04 0.00 0.48 0.00 0.00 55.95 57.40 1ck4 s SER 205 Cb 0.44 0.49 0.21 0.00 0.10 0.00 0.00 66.02 67.26 1ck4 s SER 205 CO 0.06 -0.60 1.68 0.74 0.98 0.00 0.00 173.24 176.10 1ck4 h THR 206 N 2.70 1.26 -0.31 2.02 2.02 -1.90 -2.20 112.91 116.50 1ck4 h THR 206 Ca -0.26 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 1ck4 h THR 206 Cb 1.17 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1ck4 h THR 206 CO 0.37 0.41 0.17 1.05 0.37 0.00 0.00 175.52 177.88 1ck4 h GLU 207 N 0.76 0.44 -0.36 6.66 4.11 -1.97 -0.87 114.58 123.35 1ck4 h GLU 207 Ca 0.13 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.48 1ck4 h GLU 207 Cb 0.60 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1ck4 h GLU 207 CO 0.04 0.38 0.12 0.93 0.07 0.00 0.00 179.01 180.55 1ck4 h GLU 208 N 0.39 0.52 -0.09 1.06 5.08 -1.95 -0.66 114.58 118.92 1ck4 h GLU 208 Ca 0.11 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 1ck4 h GLU 208 Cb 0.07 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1ck4 h GLU 208 CO -0.02 0.45 -0.76 0.28 -1.00 0.00 0.00 179.01 177.96 1ck4 h VAL 209 N 0.51 1.35 -0.36 3.13 2.07 -1.08 -2.34 116.25 119.53 1ck4 h VAL 209 Ca 0.13 -2.11 -0.11 0.00 0.82 0.00 0.00 66.70 65.42 1ck4 h VAL 209 Cb 0.14 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1ck4 h VAL 209 CO -0.01 0.64 -0.21 -0.07 0.02 0.00 0.00 177.57 177.95 1ck4 h LEU 210 N 0.35 0.71 -0.23 2.57 3.38 -0.56 0.04 115.31 121.57 1ck4 h LEU 210 Ca -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1ck4 h LEU 210 Cb 1.36 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1ck4 h LEU 210 CO 0.14 0.91 0.06 0.58 0.09 0.00 0.00 178.44 180.22 1ck4 h VAL 211 N 0.62 1.21 -0.31 1.22 2.07 -1.07 -1.25 116.25 118.74 1ck4 h VAL 211 Ca 0.09 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1ck4 h VAL 211 Cb 0.69 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1ck4 h VAL 211 CO 0.05 0.21 0.09 0.00 0.02 0.00 0.00 177.57 177.94 1ck4 h ALA 212 N 0.88 0.40 -0.36 1.67 0.00 -1.11 -2.98 119.26 117.76 1ck4 h ALA 212 Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1ck4 h ALA 212 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ck4 h ALA 212 CO 0.00 0.05 0.02 0.00 0.00 0.00 0.00 179.25 179.32 1ck4 h ALA 213 N 0.92 1.37 0.00 0.00 0.00 -0.98 -1.89 119.26 118.68 1ck4 h ALA 213 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ck4 h ALA 213 Cb 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ck4 h ALA 213 CO -0.00 0.44 0.00 0.09 0.00 0.00 0.00 179.25 179.78 1ck4 n ASN 214 N -4.29 0.00 -0.94 0.00 4.13 -0.48 -2.74 115.26 110.94 1ck4 n ASN 214 Ca 0.02 0.50 0.12 0.00 1.68 0.00 0.00 54.58 56.90 1ck4 n ASN 214 Cb 0.24 -0.50 0.15 0.00 -1.54 0.00 0.00 39.78 38.13 1ck4 n ASN 214 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1ck4 n LYS 215 N -1.50 2.30 -2.48 3.52 5.02 -0.71 -4.96 118.16 119.34 1ck4 n LYS 215 Ca 0.05 -1.89 -0.42 0.00 -2.02 0.00 0.00 58.31 54.03 1ck4 n LYS 215 Cb 0.25 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1ck4 n LYS 215 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ck4 s ILE 216 N -1.94 4.23 0.04 -0.18 1.01 -1.11 -5.03 121.20 118.23 1ck4 s ILE 216 Ca 0.30 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.57 1ck4 s ILE 216 Cb 0.20 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1ck4 s ILE 216 CO 0.30 0.10 0.06 -0.83 0.00 0.00 0.00 174.94 174.58 1ck4 s GLY 217 N 1.13 1.99 -0.04 6.18 0.00 -1.26 -5.03 107.32 110.29 1ck4 s GLY 217 Ca 0.57 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 44.03 1ck4 s GLY 217 CO 0.28 -0.89 1.92 1.09 0.00 0.00 0.00 173.10 175.49 1ck4 s ARG 218 N -2.04 3.96 0.25 2.90 1.70 -1.26 -4.87 118.95 119.58 1ck4 s ARG 218 Ca 0.26 2.36 0.10 0.00 -0.47 0.00 0.00 55.73 57.97 1ck4 s ARG 218 Cb -0.12 -4.15 0.29 0.00 -0.57 0.00 0.00 34.95 30.39 1ck4 s ARG 218 CO 0.17 -1.15 1.57 -0.56 -1.08 0.00 0.00 175.30 174.26 1ck4 h GLN 219 N 11.13 0.00 0.00 3.89 3.07 -1.93 -3.50 115.11 127.78 1ck4 h GLN 219 Ca -0.45 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1ck4 h GLN 219 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1ck4 h GLN 219 CO 0.95 0.67 0.00 0.41 0.09 0.00 0.00 178.83 180.95 1ck4 n GLY 220 N 0.38 -0.20 3.60 0.06 0.00 -0.53 -5.08 105.19 103.43 1ck4 n GLY 220 Ca -0.01 -1.53 -0.07 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.43 -0.12 0.01 -0.02 0.00 -1.26 -4.65 107.32 99.86 1ck4 s GLY 221 Ca 0.00 2.37 0.21 0.00 0.00 0.00 0.00 44.72 47.31 1ck4 s GLY 221 CO 0.00 1.08 0.58 1.04 0.00 0.00 0.00 173.10 175.80 1ck4 n LEU 222 N 0.67 0.23 -4.05 0.66 4.32 -1.26 -3.75 117.00 113.82 1ck4 n LEU 222 Ca -0.06 0.09 -0.24 0.00 -0.02 0.00 0.00 56.01 55.78 1ck4 n LEU 222 Cb 0.58 0.04 -0.16 0.00 -1.62 0.00 0.00 43.42 42.26 1ck4 n LEU 222 CO 0.12 0.01 -0.47 -1.10 -1.22 0.00 0.00 177.39 174.73 1ck4 s GLN 223 N -3.36 1.64 -0.51 3.23 -0.21 -1.26 -5.05 119.66 114.14 1ck4 s GLN 223 Ca -0.06 -0.45 -0.22 0.00 0.02 0.00 0.00 55.36 54.65 1ck4 s GLN 223 Cb 0.12 -1.38 0.04 0.00 1.00 0.00 0.00 33.01 32.79 1ck4 s GLN 223 CO 0.87 0.09 0.78 0.99 -2.12 0.00 0.00 175.29 175.90 1ck4 s THR 224 N 0.45 4.64 -0.99 -0.19 2.01 -1.26 -2.11 115.64 118.19 1ck4 s THR 224 Ca -0.11 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.88 1ck4 s THR 224 Cb -0.14 -4.39 0.31 0.00 0.01 0.00 0.00 72.50 68.29 1ck4 s THR 224 CO 0.03 -0.90 1.54 0.23 -0.69 0.00 0.00 174.62 174.82 1ck4 n MET 225 N 6.79 4.66 -0.22 4.92 0.00 -1.26 0.10 117.12 132.11 1ck4 n MET 225 Ca -0.01 -4.63 -0.00 0.00 0.00 0.00 0.00 57.70 53.05 1ck4 n MET 225 Cb 0.47 -2.46 0.11 0.00 0.00 0.00 0.00 33.22 31.34 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 2.88 0.85 -0.19 2.03 2.02 -1.93 -1.02 112.91 117.55 1ck4 h THR 226 Ca 0.33 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1ck4 h THR 226 Cb 0.49 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1ck4 h THR 226 CO 1.20 0.10 0.03 0.00 0.37 0.00 0.00 175.52 177.23 1ck4 h ALA 227 N 1.39 1.71 0.27 6.16 0.00 -1.88 -1.88 119.26 125.03 1ck4 h ALA 227 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ck4 h ALA 227 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ck4 h ALA 227 CO -0.25 0.23 -0.13 1.25 0.00 0.00 0.00 179.25 180.34 1ck4 h LEU 228 N 0.27 -0.30 -0.67 0.00 6.46 -1.58 -1.86 115.31 117.62 1ck4 h LEU 228 Ca 0.07 -0.20 0.09 0.00 -0.12 0.00 0.00 57.88 57.71 1ck4 h LEU 228 Cb 0.13 0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.07 1ck4 h LEU 228 CO -0.00 0.07 0.31 1.23 -0.62 0.00 0.00 178.44 179.43 1ck4 h GLY 229 N -0.72 0.98 0.77 3.75 0.00 -1.11 0.15 103.07 106.88 1ck4 h GLY 229 Ca -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1ck4 h GLY 229 CO 0.06 0.04 0.01 -2.22 0.00 0.00 0.00 176.54 174.43 1ck4 h ILE 230 N 0.54 1.22 -0.89 2.60 2.04 -1.39 0.41 117.51 122.03 1ck4 h ILE 230 Ca 0.33 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1ck4 h ILE 230 Cb 0.35 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1ck4 h ILE 230 CO -0.27 0.19 0.51 -0.78 0.00 0.00 0.00 178.15 177.80 1ck4 h ASP 231 N -0.14 1.10 -0.21 1.72 3.58 -1.10 0.38 116.42 121.75 1ck4 h ASP 231 Ca 0.02 -0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.27 1ck4 h ASP 231 Cb 0.29 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1ck4 h ASP 231 CO 0.00 0.87 -0.26 0.74 -2.88 0.00 0.00 179.24 177.72 1ck4 h THR 232 N 1.24 1.27 -0.41 2.25 2.02 -0.58 0.85 112.91 119.55 1ck4 h THR 232 Ca 0.32 -1.35 -0.15 0.00 0.77 0.00 0.00 66.41 65.99 1ck4 h THR 232 Cb -0.00 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1ck4 h THR 232 CO -0.05 0.44 -0.34 0.00 0.37 0.00 0.00 175.52 175.94 1ck4 h ALA 233 N 1.13 0.60 -0.17 6.16 0.00 -0.38 0.44 119.26 127.04 1ck4 h ALA 233 Ca 0.08 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1ck4 h ALA 233 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ck4 h ALA 233 CO 0.06 0.68 -0.05 -0.09 0.00 0.00 0.00 179.25 179.85 1ck4 h ARG 234 N 0.79 0.33 -0.19 0.00 2.43 -0.72 -0.24 114.38 116.78 1ck4 h ARG 234 Ca 0.07 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 58.95 1ck4 h ARG 234 Cb 0.94 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1ck4 h ARG 234 CO 0.09 0.61 -0.57 0.87 -1.51 0.00 0.00 179.97 179.46 1ck4 h LYS 235 N 0.03 0.60 0.00 0.20 1.57 -0.77 -3.37 116.57 114.82 1ck4 h LYS 235 Ca 0.04 -0.39 -0.12 0.00 -1.87 0.00 0.00 60.65 58.32 1ck4 h LYS 235 Cb 0.49 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1ck4 h LYS 235 CO 0.02 1.00 -1.43 0.39 -0.57 0.00 0.00 179.45 178.86 1ck4 n GLU 236 N -3.95 0.19 -0.12 3.15 1.02 0.15 -4.77 120.64 116.30 1ck4 n GLU 236 Ca -0.04 0.05 -0.01 0.00 -0.02 0.00 0.00 57.16 57.14 1ck4 n GLU 236 Cb 0.62 -1.11 0.24 0.00 -0.02 0.00 0.00 31.44 31.18 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 -0.03 1.35 -0.76 0.62 0.00 -1.03 -2.98 119.26 116.42 1ck4 h ALA 237 Ca -0.17 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 54.04 1ck4 h ALA 237 Cb 1.25 -0.23 -0.22 0.00 0.00 0.00 0.00 17.79 18.59 1ck4 h ALA 237 CO -0.04 0.49 0.69 1.19 0.00 0.00 0.00 179.25 181.58 1ck4 n PHE 238 N -4.34 2.42 -3.53 0.00 3.72 -1.11 -4.69 117.46 109.93 1ck4 n PHE 238 Ca 0.05 -2.43 -0.30 0.00 -0.05 0.00 0.00 57.45 54.71 1ck4 n PHE 238 Cb 0.16 -1.25 -0.04 0.00 -0.94 0.00 0.00 39.48 37.41 1ck4 n PHE 238 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ck4 s THR 239 N -3.67 5.09 0.20 4.37 2.01 -1.13 -4.75 115.64 117.76 1ck4 s THR 239 Ca 0.51 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.49 1ck4 s THR 239 Cb 0.40 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1ck4 s THR 239 CO -0.10 -0.14 1.57 1.05 -0.69 0.00 0.00 174.62 176.32 1ck4 h GLU 240 N 2.24 0.68 -0.39 4.92 -0.00 -1.91 -0.09 114.58 120.03 1ck4 h GLU 240 Ca -0.47 -0.34 0.02 0.00 -0.00 0.00 0.00 59.36 58.57 1ck4 h GLU 240 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.91 1ck4 h GLU 240 CO 0.69 0.95 0.26 0.00 -0.00 0.00 0.00 179.01 180.91 1ck4 h ALA 241 N 1.02 1.78 -0.37 1.06 0.00 -1.94 -1.16 119.26 119.64 1ck4 h ALA 241 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ck4 h ALA 241 Cb 0.90 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ck4 h ALA 241 CO 0.08 0.19 0.00 0.54 0.00 0.00 0.00 179.25 180.06 1ck4 n ARG 242 N -4.48 2.06 0.00 0.00 1.74 -0.98 -4.95 116.66 110.06 1ck4 n ARG 242 Ca 0.03 -1.63 0.00 0.00 -0.77 0.00 0.00 57.85 55.48 1ck4 n ARG 242 Cb 0.10 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.26 1.01 3.66 -0.13 0.00 -0.44 -1.81 105.19 108.75 1ck4 n GLY 243 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1ck4 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ck4 s ALA 244 N -2.00 3.64 0.43 4.61 0.00 -0.09 -4.56 121.76 123.78 1ck4 s ALA 244 Ca 0.00 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 1ck4 s ALA 244 Cb 0.00 -3.66 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 1ck4 s ALA 244 CO 0.00 -1.22 0.96 1.03 0.00 0.00 0.00 175.76 176.53 1ck4 s ARG 245 N 3.57 4.20 0.08 0.00 0.52 -1.26 -4.49 118.95 121.57 1ck4 s ARG 245 Ca 0.62 1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 56.69 1ck4 s ARG 245 Cb -0.27 -2.21 -0.10 0.00 0.52 0.00 0.00 34.95 32.89 1ck4 s ARG 245 CO 0.21 -0.06 1.92 0.50 0.02 0.00 0.00 175.30 177.90 1ck4 s ARG 246 N -3.11 4.14 0.00 3.54 6.06 -1.26 -2.38 118.95 125.94 1ck4 s ARG 246 Ca 0.62 2.63 0.00 0.00 -2.50 0.00 0.00 55.73 56.47 1ck4 s ARG 246 Cb -0.11 -3.91 0.00 0.00 0.06 0.00 0.00 34.95 31.00 1ck4 s ARG 246 CO 0.15 -0.91 0.00 0.41 -2.50 0.00 0.00 175.30 172.44 1ck4 n GLY 247 N 4.42 0.55 3.71 8.12 0.00 -1.26 -4.98 105.19 115.76 1ck4 n GLY 247 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.65 4.91 0.36 1.61 1.01 -1.00 -5.00 120.40 119.64 1ck4 s VAL 248 Ca 0.00 1.90 -0.28 0.00 0.00 0.00 0.00 61.98 63.60 1ck4 s VAL 248 Cb 0.00 -4.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 1ck4 s VAL 248 CO 0.00 0.17 1.43 -0.54 0.00 0.00 0.00 175.10 176.15 1ck4 s LYS 249 N 1.07 4.19 -0.17 2.72 3.01 -1.26 -4.77 119.74 124.52 1ck4 s LYS 249 Ca 0.48 2.45 -0.17 0.00 -1.01 0.00 0.00 55.97 57.72 1ck4 s LYS 249 Cb -0.20 -3.00 -0.04 0.00 -1.01 0.00 0.00 37.83 33.58 1ck4 s LYS 249 CO 0.24 -0.42 0.44 0.15 0.51 0.00 0.00 175.35 176.27 1ck4 s LYS 250 N -1.97 4.23 -0.05 1.68 1.02 -1.26 -2.05 119.74 121.34 1ck4 s LYS 250 Ca 0.52 0.31 0.04 0.00 0.02 0.00 0.00 55.97 56.85 1ck4 s LYS 250 Cb -0.44 -3.50 0.00 0.00 -0.52 0.00 0.00 37.83 33.36 1ck4 s LYS 250 CO 0.60 0.01 -0.17 0.08 -0.92 0.00 0.00 175.35 174.95 1ck4 s VAL 251 N 1.12 1.43 -0.11 3.17 1.01 -0.34 -1.29 120.40 125.39 1ck4 s VAL 251 Ca 0.22 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1ck4 s VAL 251 Cb -0.15 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1ck4 s VAL 251 CO 0.09 0.41 -0.23 -0.32 0.00 0.00 0.00 175.10 175.05 1ck4 s MET 252 N 0.18 3.03 -0.24 2.72 0.00 0.86 -0.76 119.30 125.09 1ck4 s MET 252 Ca -0.07 -0.87 -0.02 0.00 0.00 0.00 0.00 55.69 54.73 1ck4 s MET 252 Cb -0.13 -2.33 0.02 0.00 0.00 0.00 0.00 34.83 32.39 1ck4 s MET 252 CO 0.03 0.12 -0.06 0.14 0.00 0.00 0.00 175.02 175.25 1ck4 s VAL 253 N 0.48 2.94 -0.18 10.11 -7.23 -0.47 -1.11 120.40 124.94 1ck4 s VAL 253 Ca -0.16 -0.92 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 1ck4 s VAL 253 Cb -0.17 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1ck4 s VAL 253 CO 0.06 0.26 0.03 -0.63 -0.31 0.00 0.00 175.10 174.51 1ck4 s ILE 254 N 1.35 4.45 -0.18 -0.62 1.09 0.38 -1.01 121.20 126.67 1ck4 s ILE 254 Ca 0.02 -0.15 0.00 0.00 -1.10 0.00 0.00 60.65 59.42 1ck4 s ILE 254 Cb -0.16 -3.00 0.01 0.00 -1.06 0.00 0.00 42.46 38.25 1ck4 s ILE 254 CO -0.05 0.45 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.38 1ck4 s VAL 255 N 0.53 2.32 0.05 2.92 1.01 -0.44 0.27 120.40 127.05 1ck4 s VAL 255 Ca 0.01 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 1ck4 s VAL 255 Cb -0.13 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.32 1ck4 s VAL 255 CO 0.02 0.52 0.52 0.28 0.00 0.00 0.00 175.10 176.44 1ck4 s THR 256 N 1.17 0.03 -0.19 3.92 -1.32 -0.64 -0.62 115.64 117.99 1ck4 s THR 256 Ca 0.02 -0.24 0.13 0.00 -1.21 0.00 0.00 61.69 60.39 1ck4 s THR 256 Cb -0.14 -0.98 0.43 0.00 -1.51 0.00 0.00 72.50 70.30 1ck4 s THR 256 CO -0.08 -0.13 1.21 -0.90 -2.21 0.00 0.00 174.62 172.51 1ck4 n ASP 257 N 0.38 1.92 -3.68 8.08 5.75 -1.26 -0.55 116.55 127.19 1ck4 n ASP 257 Ca -0.18 -3.55 0.03 0.00 -0.01 0.00 0.00 54.79 51.08 1ck4 n ASP 257 Cb 0.60 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 -3.09 -0.39 0.68 6.12 0.00 -1.26 -4.68 107.32 104.70 1ck4 s GLY 258 Ca 0.38 0.65 -0.15 0.00 0.00 0.00 0.00 44.72 45.60 1ck4 s GLY 258 CO -0.07 1.89 1.13 -0.54 0.00 0.00 0.00 173.10 175.51 1ck4 s GLU 259 N -2.13 2.61 -0.11 2.90 2.02 -1.26 -5.02 118.70 117.71 1ck4 s GLU 259 Ca 0.19 1.46 -0.10 0.00 0.02 0.00 0.00 54.97 56.53 1ck4 s GLU 259 Cb 0.05 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 32.31 1ck4 s GLU 259 CO -0.05 -1.41 0.23 -1.54 0.02 0.00 0.00 175.26 172.51 1ck4 s SER 260 N -2.51 6.48 0.30 -0.19 1.04 -1.26 -4.73 113.70 112.83 1ck4 s SER 260 Ca 0.68 0.57 0.25 0.00 0.48 0.00 0.00 55.95 57.93 1ck4 s SER 260 Cb -0.22 -2.14 1.06 0.00 0.10 0.00 0.00 66.02 64.82 1ck4 s SER 260 CO 0.43 0.31 1.74 0.45 0.98 0.00 0.00 173.24 177.15 1ck4 h HIS 261 N 5.40 0.00 -0.00 5.02 3.86 -0.71 -2.18 115.15 126.54 1ck4 h HIS 261 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1ck4 h HIS 261 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1ck4 h HIS 261 CO 0.70 0.00 -0.16 -3.47 0.86 0.00 0.00 177.93 175.86 1ck4 n ASP 262 N -2.33 0.50 0.00 2.45 -0.08 -1.24 -4.74 116.55 111.10 1ck4 n ASP 262 Ca 0.01 -0.47 0.00 0.00 -1.51 0.00 0.00 54.79 52.82 1ck4 n ASP 262 Cb 0.21 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1ck4 n ASP 262 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1ck4 n ASN 263 N -1.03 0.00 0.25 1.67 4.13 -0.82 -0.79 115.26 118.66 1ck4 n ASN 263 Ca 0.12 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.44 1ck4 n ASN 263 Cb 0.30 0.00 0.32 0.00 -1.54 0.00 0.00 39.78 38.86 1ck4 n ASN 263 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 1ck4 h TYR 264 N 0.00 0.00 0.00 3.10 -0.00 -1.89 0.55 116.97 118.73 1ck4 h TYR 264 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1ck4 h TYR 264 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1ck4 h TYR 264 CO 0.00 0.00 -1.17 0.54 -0.00 0.00 0.00 178.16 177.53 1ck4 n ARG 265 N -2.31 0.35 -0.13 0.10 1.74 0.03 -4.66 116.66 111.78 1ck4 n ARG 265 Ca -0.01 -0.02 -0.07 0.00 -0.77 0.00 0.00 57.85 56.98 1ck4 n ARG 265 Cb 0.59 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.42 1ck4 n ARG 265 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ck4 h LEU 266 N 0.00 -1.11 -0.33 0.55 3.38 -1.01 -0.80 115.31 116.00 1ck4 h LEU 266 Ca 0.00 0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1ck4 h LEU 266 Cb 0.78 0.52 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 1ck4 h LEU 266 CO 0.00 -0.32 -0.07 0.11 0.09 0.00 0.00 178.44 178.25 1ck4 h LYS 267 N -0.24 0.02 0.27 1.13 1.57 -1.83 0.50 116.57 117.98 1ck4 h LYS 267 Ca 0.18 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1ck4 h LYS 267 Cb 0.54 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ck4 h LYS 267 CO -0.56 0.01 -0.13 0.37 -0.57 0.00 0.00 179.45 178.57 1ck4 h GLN 268 N 0.02 -0.35 -0.65 3.15 5.75 -1.79 0.14 115.11 121.37 1ck4 h GLN 268 Ca 0.16 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.71 1ck4 h GLN 268 Cb 0.24 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 1ck4 h GLN 268 CO -0.33 -0.20 0.41 0.28 -2.65 0.00 0.00 178.83 176.35 1ck4 h VAL 269 N -0.41 1.11 -0.56 2.39 2.07 -0.72 -1.07 116.25 119.05 1ck4 h VAL 269 Ca -0.04 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1ck4 h VAL 269 Cb 0.31 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1ck4 h VAL 269 CO 0.06 0.15 0.09 0.40 0.02 0.00 0.00 177.57 178.29 1ck4 h ILE 270 N 0.82 1.24 -0.32 4.57 1.08 0.14 -2.14 117.51 122.90 1ck4 h ILE 270 Ca 0.26 -0.93 -0.08 0.00 -0.39 0.00 0.00 64.86 63.71 1ck4 h ILE 270 Cb -0.01 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1ck4 h ILE 270 CO -0.09 0.34 -0.15 -0.61 -0.69 0.00 0.00 178.15 176.95 1ck4 h GLN 271 N 0.85 0.57 -0.47 2.37 5.75 0.18 -0.87 115.11 123.50 1ck4 h GLN 271 Ca 0.18 -0.19 -0.13 0.00 -0.15 0.00 0.00 58.65 58.36 1ck4 h GLN 271 Cb 0.38 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 1ck4 h GLN 271 CO 0.01 0.71 -0.23 -0.44 -2.65 0.00 0.00 178.83 176.23 1ck4 h ASP 272 N 0.52 1.01 -0.49 -0.69 3.32 -0.97 -2.15 116.42 116.97 1ck4 h ASP 272 Ca 0.09 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 1ck4 h ASP 272 Cb 0.57 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1ck4 h ASP 272 CO 0.04 1.19 0.26 0.00 -1.72 0.00 0.00 179.24 179.01 1ck4 h GLU 274 N 0.65 -0.08 0.00 0.00 4.57 -0.97 -1.46 114.58 117.29 1ck4 h GLU 274 Ca 0.17 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 1ck4 h GLU 274 Cb 0.07 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1ck4 h GLU 274 CO -0.03 -0.05 -0.06 -0.44 -1.18 0.00 0.00 179.01 177.25 1ck4 h ASP 275 N -0.08 0.00 -0.28 1.04 3.32 -1.23 0.17 116.42 119.36 1ck4 h ASP 275 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1ck4 h ASP 275 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1ck4 h ASP 275 CO -0.27 0.06 0.00 -0.62 -1.72 0.00 0.00 179.24 176.69 1ck4 n GLU 276 N -3.60 2.16 -3.68 3.56 1.02 -0.72 -4.95 120.64 114.43 1ck4 n GLU 276 Ca -0.02 -1.74 -0.23 0.00 -0.02 0.00 0.00 57.16 55.14 1ck4 n GLU 276 Cb 0.18 -1.46 0.03 0.00 -0.02 0.00 0.00 31.44 30.17 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 0.97 -2.44 -4.58 1.62 3.02 0.05 -4.95 115.26 108.95 1ck4 n ASN 277 Ca 0.18 -0.87 -0.39 0.00 -0.03 0.00 0.00 54.58 53.47 1ck4 n ASN 277 Cb 0.48 -3.94 -0.10 0.00 -0.61 0.00 0.00 39.78 35.61 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 -3.63 5.25 -0.15 2.41 1.01 -0.76 -4.49 121.20 120.85 1ck4 s ILE 278 Ca 0.14 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 1ck4 s ILE 278 Cb -0.04 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1ck4 s ILE 278 CO 0.82 0.15 1.12 -1.58 0.00 0.00 0.00 174.94 175.45 1ck4 s GLN 279 N 1.87 4.31 -0.17 2.79 0.74 -0.42 -4.69 119.66 124.09 1ck4 s GLN 279 Ca 0.10 1.51 -0.00 0.00 0.05 0.00 0.00 55.36 57.01 1ck4 s GLN 279 Cb -0.16 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.32 1ck4 s GLN 279 CO 0.11 -0.54 -0.15 1.03 -0.55 0.00 0.00 175.29 175.19 1ck4 s ARG 280 N 2.79 3.16 -0.16 1.67 0.52 -1.26 -0.10 118.95 125.57 1ck4 s ARG 280 Ca 0.50 -0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 54.89 1ck4 s ARG 280 Cb -0.19 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 1ck4 s ARG 280 CO 0.14 -0.09 0.02 -0.06 0.02 0.00 0.00 175.30 175.34 1ck4 s PHE 281 N 1.07 3.18 -0.04 -0.53 0.40 -0.27 -0.40 117.98 121.38 1ck4 s PHE 281 Ca -0.01 -0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.35 1ck4 s PHE 281 Cb -0.14 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.37 1ck4 s PHE 281 CO -0.05 0.14 -0.21 -1.54 0.70 0.00 0.00 175.22 174.26 1ck4 s SER 282 N 0.21 2.59 -0.21 1.36 1.04 -0.87 -0.47 113.70 117.35 1ck4 s SER 282 Ca 0.02 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 1ck4 s SER 282 Cb -0.13 -0.63 0.01 0.00 0.10 0.00 0.00 66.02 65.37 1ck4 s SER 282 CO 0.01 0.21 -0.13 -0.63 0.98 0.00 0.00 173.24 173.69 1ck4 s ILE 283 N -0.15 2.60 -0.25 -1.02 1.09 0.14 -1.23 121.20 122.38 1ck4 s ILE 283 Ca -0.01 -0.83 -0.09 0.00 -1.10 0.00 0.00 60.65 58.61 1ck4 s ILE 283 Cb -0.12 -2.17 -0.04 0.00 -1.06 0.00 0.00 42.46 39.07 1ck4 s ILE 283 CO 0.02 0.43 0.13 0.00 -0.10 0.00 0.00 174.94 175.43 1ck4 s ALA 284 N 1.35 3.40 -0.30 9.38 0.00 -0.12 -1.62 121.76 133.86 1ck4 s ALA 284 Ca 0.04 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 1ck4 s ALA 284 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1ck4 s ALA 284 CO -0.08 -0.39 0.20 0.42 0.00 0.00 0.00 175.76 175.90 1ck4 s ILE 285 N 1.44 5.20 -1.21 0.00 1.01 0.29 -1.20 121.20 126.73 1ck4 s ILE 285 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 60.65 60.86 1ck4 s ILE 285 Cb -0.15 -3.54 0.57 0.00 0.01 0.00 0.00 42.46 39.35 1ck4 s ILE 285 CO 0.06 0.17 1.45 0.18 0.00 0.00 0.00 174.94 176.80 1ck4 n LEU 286 N 5.06 3.89 0.32 2.97 4.77 -0.26 -4.33 117.00 129.42 1ck4 n LEU 286 Ca -0.14 -1.96 -0.15 0.00 -0.03 0.00 0.00 56.01 53.73 1ck4 n LEU 286 Cb 0.51 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1ck4 n LEU 286 CO 0.34 0.66 0.52 1.23 -1.33 0.00 0.00 177.39 178.81 1ck4 h GLY 287 N 4.50 -1.09 1.01 -0.72 0.00 -1.50 -2.11 103.07 103.15 1ck4 h GLY 287 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1ck4 h GLY 287 CO 0.19 -0.37 0.49 0.84 0.00 0.00 0.00 176.54 177.70 1ck4 h HIS 288 N -0.90 0.97 -0.22 5.60 -0.00 -1.85 -0.23 115.15 118.52 1ck4 h HIS 288 Ca -0.08 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1ck4 h HIS 288 Cb 0.72 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1ck4 h HIS 288 CO -0.06 0.62 0.06 1.88 -0.00 0.00 0.00 177.93 180.44 1ck4 h TYR 289 N 1.03 0.11 0.00 5.26 -1.99 -1.83 -0.87 116.97 118.69 1ck4 h TYR 289 Ca 0.28 0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.88 1ck4 h TYR 289 Cb -0.10 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.59 1ck4 h TYR 289 CO -0.02 0.05 -0.66 -0.91 -0.00 0.00 0.00 178.16 176.62 1ck4 h ASN 290 N 0.16 0.00 0.22 3.88 2.35 -1.19 0.10 115.58 121.10 1ck4 h ASN 290 Ca 0.09 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1ck4 h ASN 290 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1ck4 h ASN 290 CO -0.11 0.66 -0.22 0.03 -1.65 0.00 0.00 177.43 176.14 1ck4 h ARG 291 N 0.00 0.01 -0.28 0.81 3.08 -0.62 -3.05 114.38 114.33 1ck4 h ARG 291 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ck4 h ARG 291 Cb 1.18 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ck4 h ARG 291 CO 0.09 0.24 0.00 0.41 -1.07 0.00 0.00 179.97 179.63 1ck4 n GLY 292 N -0.88 3.80 3.84 0.04 0.00 -0.37 -4.98 105.19 106.64 1ck4 n GLY 292 Ca -0.02 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 1ck4 n GLY 292 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ck4 n ASN 293 N -0.32 -3.58 -4.86 1.61 4.05 -0.84 -4.99 115.26 106.34 1ck4 n ASN 293 Ca 0.20 -0.79 -0.37 0.00 0.45 0.00 0.00 54.58 54.06 1ck4 n ASN 293 Cb 0.82 -3.96 -0.06 0.00 1.23 0.00 0.00 39.78 37.81 1ck4 n ASN 293 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1ck4 s LEU 294 N -7.08 4.43 0.13 1.20 1.43 -0.04 -5.04 118.68 113.70 1ck4 s LEU 294 Ca 0.43 0.71 -0.31 0.00 -1.03 0.00 0.00 54.13 53.93 1ck4 s LEU 294 Cb -0.22 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.57 1ck4 s LEU 294 CO 0.82 0.36 1.39 -0.55 0.23 0.00 0.00 176.35 178.60 1ck4 s SER 295 N -1.10 6.82 0.00 2.29 0.15 -1.26 -4.60 113.70 116.00 1ck4 s SER 295 Ca 0.20 2.34 0.21 0.00 0.70 0.00 0.00 55.95 59.40 1ck4 s SER 295 Cb -0.14 -2.59 0.42 0.00 -1.71 0.00 0.00 66.02 62.00 1ck4 s SER 295 CO 0.09 -0.64 1.37 0.35 1.20 0.00 0.00 173.24 175.61 1ck4 n THR 296 N 3.79 0.60 0.02 6.45 -2.24 -1.26 -4.64 114.28 117.00 1ck4 n THR 296 Ca 0.11 -0.80 -0.12 0.00 -2.27 0.00 0.00 64.05 60.97 1ck4 n THR 296 Cb 0.42 0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 69.45 1ck4 n THR 296 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ck4 h GLU 297 N 4.03 0.00 -0.41 -0.78 3.07 -2.00 0.11 114.58 118.60 1ck4 h GLU 297 Ca 0.00 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1ck4 h GLU 297 Cb 0.93 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 1ck4 h GLU 297 CO 0.00 0.13 0.10 -0.22 -1.40 0.00 0.00 179.01 177.62 1ck4 h LYS 298 N -0.13 0.66 0.60 2.33 3.64 -2.00 -2.72 116.57 118.96 1ck4 h LYS 298 Ca 0.00 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1ck4 h LYS 298 Cb 0.13 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1ck4 h LYS 298 CO -0.00 0.68 -0.38 0.35 -2.27 0.00 0.00 179.45 177.83 1ck4 h PHE 299 N 0.53 -1.00 -0.46 1.91 3.57 -1.80 -1.75 116.94 117.93 1ck4 h PHE 299 Ca 0.13 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1ck4 h PHE 299 Cb 0.32 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 1ck4 h PHE 299 CO 0.02 -0.57 0.19 0.28 -2.23 0.00 0.00 178.31 176.00 1ck4 h VAL 300 N -0.93 0.90 -0.53 1.41 2.07 -0.82 -1.07 116.25 117.28 1ck4 h VAL 300 Ca -0.07 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ck4 h VAL 300 Cb 0.76 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1ck4 h VAL 300 CO 0.07 0.07 0.35 -0.08 0.02 0.00 0.00 177.57 178.00 1ck4 h GLU 301 N 0.38 0.68 -0.17 1.57 4.22 -1.43 -1.68 114.58 118.15 1ck4 h GLU 301 Ca 0.21 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.55 1ck4 h GLU 301 Cb 0.17 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ck4 h GLU 301 CO -0.19 0.45 -0.11 1.49 -2.18 0.00 0.00 179.01 178.47 1ck4 h GLU 302 N 0.70 0.38 -0.20 1.92 4.81 -0.28 -0.57 114.58 121.33 1ck4 h GLU 302 Ca 0.20 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1ck4 h GLU 302 Cb -0.05 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1ck4 h GLU 302 CO -0.04 0.72 -0.27 0.82 -0.73 0.00 0.00 179.01 179.50 1ck4 h ILE 303 N 0.05 1.26 -0.35 2.32 1.08 -1.13 -1.99 117.51 118.75 1ck4 h ILE 303 Ca 0.03 -1.25 -0.08 0.00 -0.39 0.00 0.00 64.86 63.18 1ck4 h ILE 303 Cb 0.62 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 1ck4 h ILE 303 CO 0.03 0.39 -0.11 0.50 -0.69 0.00 0.00 178.15 178.27 1ck4 h LYS 304 N 0.34 0.61 0.00 2.37 3.64 -1.22 -2.25 116.57 120.07 1ck4 h LYS 304 Ca 0.05 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1ck4 h LYS 304 Cb 0.65 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1ck4 h LYS 304 CO 0.05 0.71 0.00 0.66 -2.27 0.00 0.00 179.45 178.60 1ck4 h SER 305 N 0.56 0.00 0.55 4.20 4.64 -0.32 -2.33 113.55 120.84 1ck4 h SER 305 Ca 0.10 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.14 1ck4 h SER 305 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1ck4 h SER 305 CO 0.03 0.00 -1.56 0.40 -0.87 0.00 0.00 176.83 174.83 1ck4 h ILE 306 N 0.00 1.06 -3.55 0.95 2.04 -1.26 -3.48 117.51 113.28 1ck4 h ILE 306 Ca 0.00 -2.83 -0.57 0.00 1.00 0.00 0.00 64.86 62.46 1ck4 h ILE 306 Cb 0.15 2.59 0.14 0.00 -0.74 0.00 0.00 36.82 38.96 1ck4 h ILE 306 CO 0.00 0.70 0.33 0.00 0.00 0.00 0.00 178.15 179.18 1ck4 n ALA 307 N -2.58 0.78 -1.54 1.87 0.00 -0.88 -4.80 120.51 113.36 1ck4 n ALA 307 Ca -0.15 0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1ck4 n ALA 307 Cb 1.03 -2.20 0.04 0.00 0.00 0.00 0.00 19.45 18.32 1ck4 n ALA 307 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ck4 s SER 308 N -0.87 5.32 0.11 0.00 0.01 0.46 -4.77 113.70 113.96 1ck4 s SER 308 Ca 0.68 1.78 -0.23 0.00 1.31 0.00 0.00 55.95 59.49 1ck4 s SER 308 Cb -0.47 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.17 1ck4 s SER 308 CO 0.53 -1.48 0.71 -1.61 0.41 0.00 0.00 173.24 171.80 1ck4 s GLU 309 N -4.54 4.45 0.09 12.44 2.02 -1.26 -2.61 118.70 129.29 1ck4 s GLU 309 Ca 0.62 1.01 -0.31 0.00 0.02 0.00 0.00 54.97 56.31 1ck4 s GLU 309 Cb -0.16 -3.28 -0.07 0.00 0.10 0.00 0.00 34.13 30.71 1ck4 s GLU 309 CO 0.47 0.51 1.33 -1.25 0.02 0.00 0.00 175.26 176.34 1ck4 s PRO 310 N -0.83 4.36 0.19 0.39 0.04 -1.26 -5.03 135.00 132.85 1ck4 s PRO 310 Ca 0.34 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 1ck4 s PRO 310 Cb -0.21 -3.29 0.12 0.00 0.04 0.00 0.00 34.50 31.15 1ck4 s PRO 310 CO 0.23 -0.38 1.84 1.79 0.04 0.00 0.00 177.00 180.52 1ck4 h THR 311 N 4.36 1.18 -0.20 1.26 1.35 -1.80 -1.97 112.91 117.08 1ck4 h THR 311 Ca -0.42 -0.38 0.06 0.00 -0.55 0.00 0.00 66.41 65.12 1ck4 h THR 311 Cb 1.21 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1ck4 h THR 311 CO 0.85 0.19 0.24 1.05 -0.25 0.00 0.00 175.52 177.60 1ck4 h GLU 312 N 0.90 0.00 0.04 4.72 9.09 -1.88 0.90 114.58 128.35 1ck4 h GLU 312 Ca 0.24 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.33 1ck4 h GLU 312 Cb -0.06 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.00 1ck4 h GLU 312 CO -0.05 0.00 -1.81 1.63 0.05 0.00 0.00 179.01 178.84 1ck4 n LYS 313 N -3.70 0.67 0.06 1.06 4.76 -0.90 -4.40 118.16 115.72 1ck4 n LYS 313 Ca 0.02 0.28 0.09 0.00 -2.87 0.00 0.00 58.31 55.83 1ck4 n LYS 313 Cb 0.37 -1.77 -0.05 0.00 -1.84 0.00 0.00 35.03 31.74 1ck4 n LYS 313 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ck4 n HIS 314 N -3.18 0.75 -3.50 2.13 8.25 -0.30 -4.91 115.22 114.45 1ck4 n HIS 314 Ca -0.22 0.23 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 1ck4 n HIS 314 Cb 1.05 -0.89 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 1ck4 n HIS 314 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ck4 s PHE 315 N -3.29 3.57 -0.12 4.41 5.36 0.30 -2.06 117.98 126.14 1ck4 s PHE 315 Ca -0.03 0.78 0.02 0.00 -0.96 0.00 0.00 56.93 56.74 1ck4 s PHE 315 Cb 0.10 -2.34 0.01 0.00 -0.34 0.00 0.00 43.02 40.46 1ck4 s PHE 315 CO 0.82 0.39 -0.16 -0.06 -1.46 0.00 0.00 175.22 174.74 1ck4 s PHE 316 N -0.10 2.12 -0.45 10.12 0.40 -0.36 -4.83 117.98 124.89 1ck4 s PHE 316 Ca 0.21 -1.03 -0.10 0.00 -0.60 0.00 0.00 56.93 55.41 1ck4 s PHE 316 Cb -0.14 -1.51 0.10 0.00 0.51 0.00 0.00 43.02 41.97 1ck4 s PHE 316 CO 0.08 -0.52 0.31 1.21 0.70 0.00 0.00 175.22 177.01 1ck4 s ASN 317 N 0.99 5.70 -0.18 1.36 3.84 -1.26 -0.94 114.94 124.45 1ck4 s ASN 317 Ca -0.06 -1.71 -0.13 0.00 0.21 0.00 0.00 52.86 51.17 1ck4 s ASN 317 Cb -0.15 -2.01 -0.05 0.00 -0.55 0.00 0.00 41.25 38.49 1ck4 s ASN 317 CO -0.02 -0.63 0.28 -0.69 -2.79 0.00 0.00 177.10 173.25 1ck4 s VAL 318 N 1.41 5.31 0.17 -5.21 1.01 -0.34 -5.00 120.40 117.73 1ck4 s VAL 318 Ca 0.04 0.50 -0.14 0.00 0.00 0.00 0.00 61.98 62.38 1ck4 s VAL 318 Cb -0.25 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.57 1ck4 s VAL 318 CO 0.01 0.37 1.80 0.28 0.00 0.00 0.00 175.10 177.56 1ck4 h SER 319 N 6.84 0.62 -5.06 3.32 0.02 -1.94 -0.67 113.55 116.69 1ck4 h SER 319 Ca -0.40 -0.06 0.09 0.00 -0.84 0.00 0.00 61.79 60.57 1ck4 h SER 319 Cb 1.16 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.47 1ck4 h SER 319 CO 0.74 0.50 0.32 1.51 -1.14 0.00 0.00 176.83 178.77 1ck4 s ASP 320 N -5.76 -0.30 0.27 3.07 -4.77 -1.26 -1.53 116.67 106.39 1ck4 s ASP 320 Ca -0.13 -0.39 -0.02 0.00 -3.30 0.00 0.00 52.55 48.71 1ck4 s ASP 320 Cb 0.12 0.61 0.59 0.00 -1.09 0.00 0.00 42.92 43.15 1ck4 s ASP 320 CO 0.75 -1.10 1.64 -0.33 0.70 0.00 0.00 175.17 176.84 1ck4 h GLU 321 N 2.00 0.17 0.00 2.11 3.07 -1.96 0.22 114.58 120.18 1ck4 h GLU 321 Ca -0.23 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1ck4 h GLU 321 Cb 1.25 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1ck4 h GLU 321 CO 0.27 0.11 0.00 -0.07 -1.40 0.00 0.00 179.01 177.92 1ck4 h LEU 322 N 0.17 0.00 0.00 1.33 3.38 -1.96 -2.63 115.31 115.60 1ck4 h LEU 322 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1ck4 h LEU 322 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1ck4 h LEU 322 CO -0.66 0.00 -0.55 0.00 0.09 0.00 0.00 178.44 177.32 1ck4 n ALA 323 N -2.06 3.06 -0.34 1.53 0.00 0.75 -4.28 120.51 119.18 1ck4 n ALA 323 Ca -0.01 -0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.32 1ck4 n ALA 323 Cb 0.19 -1.18 0.35 0.00 0.00 0.00 0.00 19.45 18.81 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 0.00 0.62 -1.92 0.00 3.38 -1.40 0.13 115.31 116.12 1ck4 h LEU 324 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ck4 h LEU 324 Cb 0.66 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ck4 h LEU 324 CO 0.00 0.12 0.36 0.58 0.09 0.00 0.00 178.44 179.59 1ck4 h VAL 325 N 0.58 0.01 0.00 1.22 2.07 -1.81 -1.27 116.25 117.05 1ck4 h VAL 325 Ca 0.61 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 68.07 1ck4 h VAL 325 Cb 1.11 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1ck4 h VAL 325 CO -0.46 0.00 -0.27 0.71 0.02 0.00 0.00 177.57 177.57 1ck4 h THR 326 N 0.00 0.50 -0.02 2.57 1.35 -1.05 -3.22 112.91 113.04 1ck4 h THR 326 Ca 0.00 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 1ck4 h THR 326 Cb 0.73 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1ck4 h THR 326 CO -0.00 0.26 -0.13 2.30 -0.25 0.00 0.00 175.52 177.70 1ck4 n ILE 327 N -3.22 0.00 -0.25 6.82 -5.35 -0.48 -4.50 119.36 112.38 1ck4 n ILE 327 Ca 0.02 -0.43 0.05 0.00 -0.27 0.00 0.00 62.75 62.12 1ck4 n ILE 327 Cb 0.58 1.41 0.18 0.00 -1.74 0.00 0.00 39.64 40.08 1ck4 n ILE 327 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1ck4 h VAL 328 N 3.91 0.58 -0.21 7.28 2.07 -1.56 -1.68 116.25 126.64 1ck4 h VAL 328 Ca 0.00 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1ck4 h VAL 328 Cb 0.90 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1ck4 h VAL 328 CO 0.00 0.06 0.02 0.50 0.02 0.00 0.00 177.57 178.17 1ck4 h LYS 329 N 0.33 0.35 -0.21 1.57 1.63 -1.82 -1.95 116.57 116.48 1ck4 h LYS 329 Ca 0.41 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 60.08 1ck4 h LYS 329 Cb 0.67 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1ck4 h LYS 329 CO -0.46 0.52 0.04 0.00 -3.45 0.00 0.00 179.45 176.09 1ck4 h ALA 330 N 0.82 0.28 -0.35 5.00 0.00 -1.78 -2.39 119.26 120.84 1ck4 h ALA 330 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ck4 h ALA 330 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ck4 h ALA 330 CO 0.01 -0.04 0.16 1.25 0.00 0.00 0.00 179.25 180.62 1ck4 h LEU 331 N 0.15 0.47 -1.34 0.00 6.46 -1.37 -0.02 115.31 119.66 1ck4 h LEU 331 Ca 0.07 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 1ck4 h LEU 331 Cb 0.32 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 1ck4 h LEU 331 CO 0.00 0.47 0.22 1.23 -0.62 0.00 0.00 178.44 179.75 1ck4 h GLY 332 N 0.43 0.72 1.64 3.75 0.00 -1.32 0.24 103.07 108.53 1ck4 h GLY 332 Ca 0.12 -0.33 -0.23 0.00 0.00 0.00 0.00 47.33 46.89 1ck4 h GLY 332 CO -0.01 0.31 -1.21 1.05 0.00 0.00 0.00 176.54 176.69 1ck4 h GLU 333 N 0.67 0.00 -0.08 4.80 4.11 -1.23 -3.31 114.58 119.55 1ck4 h GLU 333 Ca 0.17 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.43 1ck4 h GLU 333 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1ck4 h GLU 333 CO -0.02 0.78 -0.68 0.00 0.07 0.00 0.00 179.01 179.15 1ck4 h ARG 334 N 0.00 0.33 -0.81 1.06 3.08 -0.63 -1.74 114.38 115.67 1ck4 h ARG 334 Ca -0.10 -0.26 0.07 0.00 0.07 0.00 0.00 59.98 59.75 1ck4 h ARG 334 Cb 1.81 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.85 1ck4 h ARG 334 CO 0.11 0.89 0.49 0.97 -1.07 0.00 0.00 179.97 181.36 1ck4 h ILE 335 N 0.23 1.01 -0.01 2.04 6.09 -1.05 -0.95 117.51 124.87 1ck4 h ILE 335 Ca -0.02 -0.30 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 1ck4 h ILE 335 Cb 1.24 0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.57 1ck4 h ILE 335 CO 0.11 0.16 -0.11 0.49 -3.07 0.00 0.00 178.15 175.74 1ck4 n PHE 336 N -4.67 0.00 -0.01 2.19 3.72 -1.13 -4.31 117.46 113.24 1ck4 n PHE 336 Ca 0.12 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.51 1ck4 n PHE 336 Cb 0.19 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.69 1ck4 n PHE 336 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ck4 n ALA 337 N 0.03 2.49 -0.36 4.37 0.00 -0.67 -4.79 120.51 121.60 1ck4 n ALA 337 Ca 0.16 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.58 1ck4 n ALA 337 Cb 0.39 0.48 0.18 0.00 0.00 0.00 0.00 19.45 20.50 1ck4 n ALA 337 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ck4 h LEU 338 N -0.03 0.97 0.00 0.00 3.38 -1.40 -3.50 115.31 114.73 1ck4 h LEU 338 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ck4 h LEU 338 Cb 1.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ck4 h LEU 338 CO -0.01 0.59 0.00 1.21 0.09 0.00 0.00 178.44 180.32