#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djz n LYS 159 N 0.00 0.64 -4.00 3.52 5.02 -1.26 -4.68 118.16 117.40 1djz n LYS 159 Ca 0.00 -2.92 -0.18 0.00 -2.02 0.00 0.00 58.31 53.20 1djz n LYS 159 Cb 0.00 -0.17 -0.16 0.00 -0.02 0.00 0.00 35.03 34.68 1djz n LYS 159 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1djz s MET 160 N -4.40 0.46 0.46 1.97 0.23 0.66 -4.82 119.30 113.86 1djz s MET 160 Ca 0.54 0.02 0.07 0.00 -1.03 0.00 0.00 55.69 55.29 1djz s MET 160 Cb -0.04 -0.58 -0.00 0.00 -1.53 0.00 0.00 34.83 32.68 1djz s MET 160 CO 0.34 -0.11 0.40 0.54 -2.03 0.00 0.00 175.02 174.16 1djz s ASN 161 N 0.95 4.93 0.08 -1.18 2.20 -1.26 0.82 114.94 121.48 1djz s ASN 161 Ca -0.10 -0.88 -0.20 0.00 -0.94 0.00 0.00 52.86 50.73 1djz s ASN 161 Cb -0.14 -0.29 -0.07 0.00 -2.00 0.00 0.00 41.25 38.76 1djz s ASN 161 CO -0.01 -0.79 1.34 0.15 -2.94 0.00 0.00 177.10 174.84 1djz h PHE 162 N 0.93 -1.06 -0.28 1.54 3.57 -1.99 -1.76 116.94 117.89 1djz h PHE 162 Ca -0.40 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.22 1djz h PHE 162 Cb 1.27 0.50 -0.07 0.00 2.79 0.00 0.00 35.95 40.44 1djz h PHE 162 CO 0.61 -0.30 -0.23 0.87 -2.23 0.00 0.00 178.31 177.04 1djz h LYS 163 N -0.23 -0.21 -1.16 1.11 1.79 -1.96 2.70 116.57 118.61 1djz h LYS 163 Ca 0.05 0.01 0.33 0.00 -2.18 0.00 0.00 60.65 58.86 1djz h LYS 163 Cb 0.36 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 30.98 1djz h LYS 163 CO -0.38 -0.14 0.79 0.93 -1.08 0.00 0.00 179.45 179.57 1djz h GLU 164 N -0.22 0.17 0.00 3.15 5.08 -1.89 1.01 114.58 121.88 1djz h GLU 164 Ca 0.15 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1djz h GLU 164 Cb 0.45 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1djz h GLU 164 CO -0.41 0.11 -0.29 1.25 -1.00 0.00 0.00 179.01 178.68 1djz h LEU 165 N 0.17 0.00 -1.80 1.33 5.85 0.78 -0.71 115.31 120.93 1djz h LEU 165 Ca 0.61 -0.51 0.11 0.00 0.84 0.00 0.00 57.88 58.93 1djz h LEU 165 Cb 2.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.03 1djz h LEU 165 CO -0.17 0.92 0.53 0.11 -0.34 0.00 0.00 178.44 179.49 1djz h LYS 166 N -1.00 0.00 0.00 1.25 1.79 0.60 0.14 116.57 119.36 1djz h LYS 166 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1djz h LYS 166 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1djz h LYS 166 CO -0.04 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.08 1djz n ASP 167 N -3.42 0.00 -0.33 0.86 9.92 0.33 -3.77 116.55 120.13 1djz n ASP 167 Ca 0.07 0.39 0.30 0.00 -0.53 0.00 0.00 54.79 55.02 1djz n ASP 167 Cb 0.68 -0.37 0.53 0.00 -0.64 0.00 0.00 41.12 41.31 1djz n ASP 167 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1djz n PHE 168 N -1.62 0.76 0.00 1.24 7.35 -0.27 -0.25 117.46 124.67 1djz n PHE 168 Ca 0.00 0.76 0.00 0.00 -0.76 0.00 0.00 57.45 57.45 1djz n PHE 168 Cb 0.00 -1.18 0.00 0.00 0.35 0.00 0.00 39.48 38.65 1djz n PHE 168 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1djz n LEU 169 N -4.59 0.00 -0.64 -2.13 4.77 0.39 -2.28 117.00 112.52 1djz n LEU 169 Ca 0.32 0.86 0.49 0.00 -0.03 0.00 0.00 56.01 57.65 1djz n LEU 169 Cb 1.19 -0.36 0.76 0.00 -2.33 0.00 0.00 43.42 42.68 1djz n LEU 169 CO 0.08 -0.36 1.38 0.29 -1.33 0.00 0.00 177.39 177.45 1djz n LYS 170 N -1.58 -0.01 0.06 3.23 5.02 0.66 -0.32 118.16 125.22 1djz n LYS 170 Ca 0.00 1.08 -0.06 0.00 -2.02 0.00 0.00 58.31 57.30 1djz n LYS 170 Cb 0.00 -2.40 -0.04 0.00 -0.02 0.00 0.00 35.03 32.57 1djz n LYS 170 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1djz h GLU 171 N 0.00 -0.29 -6.47 1.97 4.81 -0.81 -3.35 114.58 110.43 1djz h GLU 171 Ca 0.89 0.02 -0.54 0.00 -0.13 0.00 0.00 59.36 59.61 1djz h GLU 171 Cb 3.45 0.07 0.01 0.00 0.63 0.00 0.00 28.75 32.91 1djz h GLU 171 CO -0.10 -0.20 0.71 -0.51 -0.73 0.00 0.00 179.01 178.18 1djz s LEU 172 N -6.84 4.35 -0.40 1.64 1.43 0.57 -4.80 118.68 114.63 1djz s LEU 172 Ca -0.06 2.15 -0.10 0.00 -1.03 0.00 0.00 54.13 55.09 1djz s LEU 172 Cb 0.02 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.58 1djz s LEU 172 CO 0.23 -0.62 1.41 0.59 0.23 0.00 0.00 176.35 178.19 1djz n ASN 173 N 4.42 -0.80 -3.80 2.29 3.02 -1.26 -4.76 115.26 114.37 1djz n ASN 173 Ca 0.11 -1.79 -0.28 0.00 -0.03 0.00 0.00 54.58 52.59 1djz n ASN 173 Cb 0.44 -1.01 -0.16 0.00 -0.61 0.00 0.00 39.78 38.43 1djz n ASN 173 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1djz s ILE 174 N 6.35 0.80 -0.73 2.41 1.01 -1.25 -5.03 121.20 124.76 1djz s ILE 174 Ca 0.30 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 1djz s ILE 174 Cb -0.02 -1.16 0.19 0.00 0.01 0.00 0.00 42.46 41.47 1djz s ILE 174 CO 0.07 -0.08 0.68 -1.10 0.00 0.00 0.00 174.94 174.51 1djz s GLN 175 N 1.75 3.39 -0.02 2.79 -0.21 -1.26 -3.98 119.66 122.12 1djz s GLN 175 Ca -0.01 -2.21 0.07 0.00 0.02 0.00 0.00 55.36 53.24 1djz s GLN 175 Cb -0.17 -4.38 -0.02 0.00 1.00 0.00 0.00 33.01 29.44 1djz s GLN 175 CO -0.07 -1.30 -0.23 0.08 -2.12 0.00 0.00 175.29 171.64 1djz s VAL 176 N 0.65 1.81 -0.35 1.09 1.01 -1.26 -4.14 120.40 119.21 1djz s VAL 176 Ca 0.13 -0.98 -0.37 0.00 0.00 0.00 0.00 61.98 60.76 1djz s VAL 176 Cb -0.17 -1.50 -0.13 0.00 0.00 0.00 0.00 36.38 34.58 1djz s VAL 176 CO -0.05 0.51 2.10 -0.67 0.00 0.00 0.00 175.10 176.99 1djz n ASP 177 N 2.52 2.01 -0.32 3.32 2.03 -1.26 -4.78 116.55 120.07 1djz n ASP 177 Ca -0.16 0.58 0.32 0.00 0.52 0.00 0.00 54.79 56.06 1djz n ASP 177 Cb 0.52 -1.19 0.70 0.00 -0.72 0.00 0.00 41.12 40.43 1djz n ASP 177 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1djz h ASP 178 N 10.88 0.10 0.29 1.67 5.19 -1.97 0.29 116.42 132.88 1djz h ASP 178 Ca -0.29 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 1djz h ASP 178 Cb 1.33 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1djz h ASP 178 CO 1.02 0.01 -0.14 1.23 -3.12 0.00 0.00 179.24 178.24 1djz h GLY 179 N 0.09 -0.41 0.96 2.75 0.00 -2.00 -0.30 103.07 104.16 1djz h GLY 179 Ca 0.57 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 48.02 1djz h GLY 179 CO -0.08 -0.15 -0.35 -1.82 0.00 0.00 0.00 176.54 174.14 1djz h TYR 180 N -0.49 -0.91 -1.07 5.60 3.20 -1.12 -0.93 116.97 121.26 1djz h TYR 180 Ca -0.04 -0.02 0.29 0.00 3.14 0.00 0.00 58.73 62.10 1djz h TYR 180 Cb 0.37 0.31 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 1djz h TYR 180 CO -0.03 -0.55 0.71 0.00 -1.64 0.00 0.00 178.16 176.65 1djz h ALA 181 N -0.62 2.45 0.49 1.82 0.00 -0.49 0.62 119.26 123.53 1djz h ALA 181 Ca -0.09 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1djz h ALA 181 Cb 0.73 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1djz h ALA 181 CO 0.13 -0.84 -0.24 -0.09 0.00 0.00 0.00 179.25 178.21 1djz h ARG 182 N 0.29 -0.63 -0.56 0.00 2.43 -0.60 0.53 114.38 115.83 1djz h ARG 182 Ca 0.58 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.89 1djz h ARG 182 Cb 1.69 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 31.28 1djz h ARG 182 CO -0.23 -0.42 -0.37 -0.22 -1.51 0.00 0.00 179.97 177.22 1djz h LYS 183 N -0.95 -0.19 -0.55 0.20 3.64 0.23 1.21 116.57 120.16 1djz h LYS 183 Ca -0.07 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1djz h LYS 183 Cb 0.50 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1djz h LYS 183 CO 0.11 -0.13 0.37 0.82 -2.27 0.00 0.00 179.45 178.35 1djz h ILE 184 N -0.20 1.12 -0.12 2.00 1.08 0.15 -0.73 117.51 120.80 1djz h ILE 184 Ca 0.21 -0.25 -0.16 0.00 -0.39 0.00 0.00 64.86 64.27 1djz h ILE 184 Cb 0.56 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 1djz h ILE 184 CO -0.67 0.13 -0.61 0.15 -0.69 0.00 0.00 178.15 176.46 1djz h PHE 185 N 0.72 0.55 0.07 1.37 3.04 0.32 -2.90 116.94 120.10 1djz h PHE 185 Ca 0.21 -0.21 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1djz h PHE 185 Cb -0.04 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.38 1djz h PHE 185 CO -0.00 0.93 -0.03 0.00 -2.02 0.00 0.00 178.31 177.18 1djz h ARG 186 N 0.32 -0.09 -1.19 1.11 3.08 0.20 -2.99 114.38 114.81 1djz h ARG 186 Ca -0.01 0.01 0.35 0.00 0.07 0.00 0.00 59.98 60.39 1djz h ARG 186 Cb 1.15 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 1djz h ARG 186 CO 0.11 0.37 0.93 0.93 -1.07 0.00 0.00 179.97 181.24 1djz h GLU 187 N -0.59 0.00 0.00 0.04 5.08 -1.18 -0.69 114.58 117.24 1djz h GLU 187 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1djz h GLU 187 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1djz h GLU 187 CO 0.02 0.00 -0.46 0.00 -1.00 0.00 0.00 179.01 177.57 1djz s ASP 189 N -3.67 6.13 -0.07 0.00 2.15 -0.27 -4.70 116.67 116.24 1djz s ASP 189 Ca 0.09 -0.46 -0.21 0.00 0.43 0.00 0.00 52.55 52.40 1djz s ASP 189 Cb 0.15 -2.17 -0.30 0.00 -0.30 0.00 0.00 42.92 40.30 1djz s ASP 189 CO 0.68 -0.35 0.81 0.45 -0.17 0.00 0.00 175.17 176.58 1djz h HIS 190 N 8.53 0.47 -0.81 -5.34 3.86 -1.88 -3.34 115.15 116.63 1djz h HIS 190 Ca -0.29 -0.34 0.19 0.00 -1.16 0.00 0.00 60.37 58.76 1djz h HIS 190 Cb 1.14 -0.02 -0.12 0.00 1.06 0.00 0.00 27.41 29.48 1djz h HIS 190 CO 0.65 1.33 0.28 0.66 0.86 0.00 0.00 177.93 181.71 1djz h SER 191 N -0.43 0.16 0.00 2.45 4.64 -1.92 -3.45 113.55 115.00 1djz h SER 191 Ca -0.17 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1djz h SER 191 Cb 1.60 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1djz h SER 191 CO 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 1djz n GLN 192 N -5.10 0.00 0.00 4.77 1.13 -1.26 -4.94 117.38 111.98 1djz n GLN 192 Ca 0.18 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.38 1djz n GLN 192 Cb 0.54 -1.58 0.84 0.00 0.11 0.00 0.00 30.24 30.15 1djz n GLN 192 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1djz n THR 193 N -2.51 0.02 -2.32 5.09 -2.24 -1.26 -4.89 114.28 106.17 1djz n THR 193 Ca 0.00 0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1djz n THR 193 Cb 0.00 -0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 67.68 1djz n THR 193 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1djz n ASP 194 N -1.09 -5.52 -4.06 3.42 9.92 -1.26 -4.99 116.55 112.98 1djz n ASP 194 Ca 0.20 0.01 -0.11 0.00 -0.53 0.00 0.00 54.79 54.36 1djz n ASP 194 Cb 0.14 -4.57 -0.11 0.00 -0.64 0.00 0.00 41.12 35.94 1djz n ASP 194 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1djz s SER 195 N -2.17 0.69 -0.14 -2.24 1.04 -1.26 -4.49 113.70 105.13 1djz s SER 195 Ca 0.00 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1djz s SER 195 Cb 0.00 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 1djz s SER 195 CO 0.00 -0.30 -0.14 -0.76 0.98 0.00 0.00 173.24 173.01 1djz s LEU 196 N -1.86 2.57 0.00 2.42 1.43 0.24 -4.80 118.68 118.69 1djz s LEU 196 Ca -0.07 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1djz s LEU 196 Cb -0.06 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.58 1djz s LEU 196 CO -0.02 0.12 0.00 -0.62 0.23 0.00 0.00 176.35 176.07 1djz n GLU 197 N 3.80 1.92 0.00 1.70 4.71 -1.26 -0.24 120.64 131.26 1djz n GLU 197 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 1djz n GLU 197 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.95 1djz n GLU 197 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1djz n ASP 198 N 0.00 0.00 -0.40 1.62 9.92 -1.26 -2.20 116.55 124.24 1djz n ASP 198 Ca 0.00 0.61 0.39 0.00 -0.53 0.00 0.00 54.79 55.26 1djz n ASP 198 Cb 0.00 -0.40 0.75 0.00 -0.64 0.00 0.00 41.12 40.83 1djz n ASP 198 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1djz h GLU 199 N 0.00 0.00 -0.01 -1.24 5.08 -1.98 1.70 114.58 118.13 1djz h GLU 199 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1djz h GLU 199 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1djz h GLU 199 CO 0.00 0.00 -0.68 0.93 -1.00 0.00 0.00 179.01 178.26 1djz h GLU 200 N 0.00 0.06 0.21 2.33 5.08 -1.84 -0.49 114.58 119.93 1djz h GLU 200 Ca 0.64 -0.05 -0.31 0.00 -1.00 0.00 0.00 59.36 58.64 1djz h GLU 200 Cb 2.65 0.01 0.03 0.00 0.50 0.00 0.00 28.75 31.94 1djz h GLU 200 CO -0.01 0.72 -1.45 0.82 -1.00 0.00 0.00 179.01 178.09 1djz h ILE 201 N 0.04 1.20 0.10 3.13 1.08 0.30 -0.31 117.51 123.05 1djz h ILE 201 Ca -0.01 -2.60 0.01 0.00 -0.39 0.00 0.00 64.86 61.87 1djz h ILE 201 Cb 1.21 2.97 -0.03 0.00 -3.07 0.00 0.00 36.82 37.90 1djz h ILE 201 CO 0.09 0.80 -0.33 -0.33 -0.69 0.00 0.00 178.15 177.69 1djz h GLU 202 N 0.02 -0.47 -0.99 2.37 5.08 -1.20 0.30 114.58 119.69 1djz h GLU 202 Ca -0.27 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.34 1djz h GLU 202 Cb 2.04 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 31.30 1djz h GLU 202 CO 0.21 -0.31 0.62 1.15 -1.00 0.00 0.00 179.01 179.68 1djz h THR 203 N -0.49 0.64 0.72 1.13 2.02 -1.18 -1.71 112.91 114.04 1djz h THR 203 Ca -0.01 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1djz h THR 203 Cb 0.48 -0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1djz h THR 203 CO -0.16 0.11 -0.35 0.15 0.37 0.00 0.00 175.52 175.64 1djz h PHE 204 N 0.59 -0.90 -0.98 3.16 3.57 0.89 -2.31 116.94 120.95 1djz h PHE 204 Ca 0.57 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 62.11 1djz h PHE 204 Cb 1.13 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 40.10 1djz h PHE 204 CO -0.00 -0.54 0.63 -0.92 -2.23 0.00 0.00 178.31 175.25 1djz h TYR 205 N -1.17 1.17 -0.16 0.41 5.03 -0.03 -1.65 116.97 120.57 1djz h TYR 205 Ca -0.10 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.21 1djz h TYR 205 Cb 0.77 -0.38 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 1djz h TYR 205 CO -0.00 0.61 -0.02 0.87 -1.32 0.00 0.00 178.16 178.30 1djz h LYS 206 N 1.15 0.30 -0.99 1.82 1.57 -1.41 -0.64 116.57 118.37 1djz h LYS 206 Ca 0.42 -0.11 0.16 0.00 -1.87 0.00 0.00 60.65 59.25 1djz h LYS 206 Cb 0.16 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 1djz h LYS 206 CO -0.17 0.55 0.62 0.52 -0.57 0.00 0.00 179.45 180.40 1djz h MET 207 N 0.02 0.81 -0.12 3.15 2.86 -0.89 0.35 114.93 121.12 1djz h MET 207 Ca 0.04 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1djz h MET 207 Cb 0.43 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1djz h MET 207 CO 0.01 0.54 -0.19 1.25 1.06 0.00 0.00 176.91 179.58 1djz h LEU 208 N 0.84 0.37 -2.80 1.22 5.85 -1.12 -3.33 115.31 116.34 1djz h LEU 208 Ca 0.52 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1djz h LEU 208 Cb 0.72 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1djz h LEU 208 CO -0.30 0.83 0.00 0.35 -0.34 0.00 0.00 178.44 178.98 1djz n THR 209 N -4.53 1.09 -3.03 1.05 -2.24 -0.27 -4.97 114.28 101.39 1djz n THR 209 Ca -0.07 -1.02 -0.37 0.00 -2.27 0.00 0.00 64.05 60.31 1djz n THR 209 Cb 0.40 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 1djz n THR 209 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djz s GLN 210 N -1.09 4.40 -0.31 -0.78 -2.07 0.08 -5.01 119.66 114.87 1djz s GLN 210 Ca 0.50 1.02 0.02 0.00 -1.82 0.00 0.00 55.36 55.08 1djz s GLN 210 Cb 0.27 -3.02 0.08 0.00 -1.09 0.00 0.00 33.01 29.24 1djz s GLN 210 CO 0.33 0.46 0.00 1.03 -1.32 0.00 0.00 175.29 175.78 1djz s ARG 211 N -1.65 1.91 0.19 9.60 0.52 -1.26 -4.99 118.95 123.27 1djz s ARG 211 Ca 0.41 -1.61 -0.13 0.00 -0.52 0.00 0.00 55.73 53.88 1djz s ARG 211 Cb -0.19 -3.13 0.19 0.00 0.52 0.00 0.00 34.95 32.34 1djz s ARG 211 CO 0.23 -0.78 1.72 0.00 0.02 0.00 0.00 175.30 176.49 1djz h ALA 212 N 7.75 0.56 -0.99 2.13 0.00 -1.99 -2.19 119.26 124.53 1djz h ALA 212 Ca -0.12 0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.11 1djz h ALA 212 Cb 1.03 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 1djz h ALA 212 CO 0.52 -0.31 0.62 1.05 0.00 0.00 0.00 179.25 181.13 1djz h GLU 213 N 0.24 0.58 -0.20 0.00 9.09 -1.99 0.44 114.58 122.74 1djz h GLU 213 Ca 0.25 -0.04 -0.15 0.00 0.05 0.00 0.00 59.36 59.47 1djz h GLU 213 Cb 0.33 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1djz h GLU 213 CO -0.33 0.39 -0.47 0.82 0.05 0.00 0.00 179.01 179.47 1djz h ILE 214 N 0.60 1.32 0.31 -1.06 1.08 -1.84 -1.06 117.51 116.86 1djz h ILE 214 Ca 0.57 -1.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1djz h ILE 214 Cb 1.12 1.86 -0.03 0.00 -3.07 0.00 0.00 36.82 36.70 1djz h ILE 214 CO -0.34 0.53 -0.46 0.44 -0.69 0.00 0.00 178.15 177.64 1djz h ASP 215 N 0.38 -1.30 -0.99 1.72 3.32 0.15 0.21 116.42 119.90 1djz h ASP 215 Ca -0.00 0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.28 1djz h ASP 215 Cb 1.08 0.46 -0.08 0.00 0.22 0.00 0.00 39.33 41.01 1djz h ASP 215 CO 0.10 -0.57 0.63 -0.09 -1.72 0.00 0.00 179.24 177.59 1djz h ARG 216 N -0.82 0.99 -0.27 3.56 2.43 -0.77 0.28 114.38 119.77 1djz h ARG 216 Ca -0.02 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1djz h ARG 216 Cb 0.77 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1djz h ARG 216 CO -0.15 0.65 0.12 0.00 -1.51 0.00 0.00 179.97 179.08 1djz h ALA 217 N 1.53 0.35 -0.36 2.80 0.00 -0.14 -1.19 119.26 122.24 1djz h ALA 217 Ca 0.47 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1djz h ALA 217 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1djz h ALA 217 CO -0.23 -0.08 0.22 0.35 0.00 0.00 0.00 179.25 179.50 1djz h PHE 218 N 0.30 0.47 0.04 0.00 3.57 0.10 -1.95 116.94 119.47 1djz h PHE 218 Ca 0.09 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1djz h PHE 218 Cb 0.14 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1djz h PHE 218 CO -0.02 0.34 -0.18 0.93 -2.23 0.00 0.00 178.31 177.16 1djz h GLU 219 N 0.46 -0.24 0.00 1.11 5.08 -0.27 0.21 114.58 120.94 1djz h GLU 219 Ca 0.13 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1djz h GLU 219 Cb 0.01 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1djz h GLU 219 CO -0.02 -0.16 0.51 0.93 -1.00 0.00 0.00 179.01 179.27 1djz h GLU 220 N -0.25 0.00 0.00 2.33 5.08 -1.14 1.08 114.58 121.67 1djz h GLU 220 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1djz h GLU 220 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1djz h GLU 220 CO -0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 179.01 177.80 1djz h ALA 221 N 0.82 0.00 -0.02 3.43 0.00 0.09 -3.39 119.26 120.19 1djz h ALA 221 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1djz h ALA 221 Cb 1.02 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1djz h ALA 221 CO 0.00 0.11 -0.68 0.00 0.00 0.00 0.00 179.25 178.68 1djz h ALA 222 N -1.46 0.81 -0.68 0.00 0.00 0.73 -3.48 119.26 115.19 1djz h ALA 222 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1djz h ALA 222 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1djz h ALA 222 CO 0.00 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.47 1djz n GLY 223 N 0.43 2.34 0.00 0.00 0.00 0.36 -2.99 105.19 105.33 1djz n GLY 223 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1djz n GLY 223 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1djz n SER 224 N 10.41 0.00 -3.50 1.61 3.41 -1.26 -4.79 113.62 119.50 1djz n SER 224 Ca 0.00 -1.16 -0.13 0.00 -0.26 0.00 0.00 58.87 57.32 1djz n SER 224 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1djz n SER 224 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djz n ALA 225 N -0.58 0.47 0.16 7.33 0.00 -1.16 -4.98 120.51 121.75 1djz n ALA 225 Ca 0.02 -1.16 0.02 0.00 0.00 0.00 0.00 53.44 52.32 1djz n ALA 225 Cb 0.01 0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.94 1djz n ALA 225 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1djz n GLU 226 N -1.23 0.22 -4.00 0.00 2.13 -1.26 -4.98 120.64 111.52 1djz n GLU 226 Ca -0.00 -0.65 -0.08 0.00 0.66 0.00 0.00 57.16 57.08 1djz n GLU 226 Cb 0.33 -1.03 -0.10 0.00 0.27 0.00 0.00 31.44 30.91 1djz n GLU 226 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1djz s THR 227 N -0.43 0.17 -0.24 6.31 2.01 -1.26 -4.55 115.64 117.64 1djz s THR 227 Ca 0.04 -1.37 -0.10 0.00 0.31 0.00 0.00 61.69 60.57 1djz s THR 227 Cb 0.03 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 1djz s THR 227 CO 0.06 -0.75 0.15 -0.76 -0.69 0.00 0.00 174.62 172.62 1djz s LEU 228 N -2.40 4.00 0.43 4.42 1.43 -0.12 -4.75 118.68 121.70 1djz s LEU 228 Ca -0.01 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1djz s LEU 228 Cb 0.02 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1djz s LEU 228 CO -0.07 0.04 0.72 -0.94 0.23 0.00 0.00 176.35 176.33 1djz s SER 229 N 1.20 6.32 0.28 2.29 1.04 -1.26 -0.08 113.70 123.48 1djz s SER 229 Ca 0.07 0.85 0.01 0.00 0.48 0.00 0.00 55.95 57.35 1djz s SER 229 Cb -0.14 -2.21 0.66 0.00 0.10 0.00 0.00 66.02 64.43 1djz s SER 229 CO 0.05 -0.47 1.68 0.58 0.98 0.00 0.00 173.24 176.07 1djz h VAL 230 N 0.55 0.44 -0.40 5.02 2.07 -1.94 0.57 116.25 122.55 1djz h VAL 230 Ca -0.48 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1djz h VAL 230 Cb 1.20 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1djz h VAL 230 CO 0.62 0.06 0.14 -0.33 0.02 0.00 0.00 177.57 178.08 1djz h GLU 231 N 0.31 0.58 -0.10 1.57 3.07 -1.92 0.34 114.58 118.42 1djz h GLU 231 Ca 0.52 -0.08 -0.21 0.00 -0.50 0.00 0.00 59.36 59.09 1djz h GLU 231 Cb 0.99 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1djz h GLU 231 CO -0.56 0.49 -0.77 0.00 -1.40 0.00 0.00 179.01 176.77 1djz h ARG 232 N 0.57 0.70 0.03 2.33 2.47 -0.35 -1.58 114.38 118.54 1djz h ARG 232 Ca 0.14 -0.62 0.03 0.00 -1.26 0.00 0.00 59.98 58.27 1djz h ARG 232 Cb 0.15 0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 28.56 1djz h ARG 232 CO -0.01 1.22 -0.30 1.25 0.56 0.00 0.00 179.97 182.69 1djz h LEU 233 N 0.38 -0.90 -0.91 3.04 5.85 0.34 0.20 115.31 123.31 1djz h LEU 233 Ca -0.07 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1djz h LEU 233 Cb 1.42 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 42.74 1djz h LEU 233 CO 0.16 -0.37 0.58 0.58 -0.34 0.00 0.00 178.44 179.04 1djz h VAL 234 N -0.47 1.08 -0.73 1.05 2.07 -0.36 0.43 116.25 119.32 1djz h VAL 234 Ca 0.05 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1djz h VAL 234 Cb 0.54 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 1djz h VAL 234 CO -0.24 0.19 0.41 0.74 0.02 0.00 0.00 177.57 178.70 1djz h THR 235 N 1.07 1.22 0.34 2.57 2.02 -0.18 -0.64 112.91 119.30 1djz h THR 235 Ca 0.39 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1djz h THR 235 Cb 0.14 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1djz h THR 235 CO -0.16 0.24 -0.16 0.15 0.37 0.00 0.00 175.52 175.95 1djz h PHE 236 N 1.02 -0.42 -0.95 3.16 3.57 0.28 0.26 116.94 123.85 1djz h PHE 236 Ca 0.26 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.94 1djz h PHE 236 Cb 0.01 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 38.81 1djz h PHE 236 CO 0.01 -0.19 0.61 -0.07 -2.23 0.00 0.00 178.31 176.43 1djz h LEU 237 N -0.58 0.61 0.00 0.59 3.38 0.04 0.30 115.31 119.65 1djz h LEU 237 Ca -0.05 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1djz h LEU 237 Cb 0.42 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1djz h LEU 237 CO 0.08 0.24 -1.13 0.00 0.09 0.00 0.00 178.44 177.72 1djz n GLN 238 N -4.62 0.54 -0.08 1.13 6.02 -0.29 -0.96 117.38 119.12 1djz n GLN 238 Ca 0.21 0.56 -0.09 0.00 -0.01 0.00 0.00 57.00 57.66 1djz n GLN 238 Cb 0.61 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 1djz n GLN 238 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1djz h HIS 239 N -1.00 0.39 0.00 1.08 2.76 -0.42 -2.52 115.15 115.44 1djz h HIS 239 Ca -0.28 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 1djz h HIS 239 Cb 1.13 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.97 1djz h HIS 239 CO 0.02 0.31 0.00 1.04 -1.30 0.00 0.00 177.93 178.00 1djz n GLN 240 N -4.83 0.00 0.00 5.26 1.13 0.99 -4.31 117.38 115.62 1djz n GLN 240 Ca -0.02 0.25 0.03 0.00 -1.94 0.00 0.00 57.00 55.31 1djz n GLN 240 Cb 0.07 -0.72 0.15 0.00 0.11 0.00 0.00 30.24 29.85 1djz n GLN 240 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1djz n GLN 241 N -2.11 0.13 -4.26 -1.09 1.13 -0.76 -4.08 117.38 106.34 1djz n GLN 241 Ca 0.00 0.11 -0.37 0.00 -1.94 0.00 0.00 57.00 54.79 1djz n GLN 241 Cb 0.00 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.79 1djz n GLN 241 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1djz n ARG 242 N -1.13 -1.69 -2.62 -1.09 1.74 -0.62 -4.57 116.66 106.67 1djz n ARG 242 Ca 0.04 0.21 -0.39 0.00 -0.77 0.00 0.00 57.85 56.94 1djz n ARG 242 Cb 0.03 -4.84 -0.05 0.00 -1.02 0.00 0.00 32.46 26.58 1djz n ARG 242 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1djz s GLU 243 N -6.95 4.61 -0.07 5.56 0.41 -0.13 -4.97 118.70 117.16 1djz s GLU 243 Ca 0.74 1.58 -0.23 0.00 -0.41 0.00 0.00 54.97 56.64 1djz s GLU 243 Cb -0.42 -3.03 -0.30 0.00 -1.78 0.00 0.00 34.13 28.60 1djz s GLU 243 CO 0.90 0.25 0.85 0.93 -0.49 0.00 0.00 175.26 177.70 1djz h GLU 244 N 3.56 0.22 -0.40 1.61 4.39 -1.90 -3.21 114.58 118.84 1djz h GLU 244 Ca -0.47 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 58.86 1djz h GLU 244 Cb 1.21 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1djz h GLU 244 CO 0.66 1.18 0.00 0.39 -1.16 0.00 0.00 179.01 180.08 1djz n GLU 245 N -4.24 0.65 -1.68 2.33 1.02 -1.26 -4.84 120.64 112.63 1djz n GLU 245 Ca -0.13 0.00 -0.51 0.00 -0.02 0.00 0.00 57.16 56.50 1djz n GLU 245 Cb 0.74 -1.20 -0.05 0.00 -0.02 0.00 0.00 31.44 30.91 1djz n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1djz n ALA 246 N -0.09 0.51 0.00 0.62 0.00 -1.21 -4.60 120.51 115.73 1djz n ALA 246 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1djz n ALA 246 Cb 0.10 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.19 1djz n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djz n GLY 247 N 3.98 2.14 0.45 0.00 0.00 -1.26 -5.00 105.19 105.50 1djz n GLY 247 Ca 0.22 -0.69 0.37 0.00 0.00 0.00 0.00 46.02 45.92 1djz n GLY 247 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1djz n PRO 248 N -0.56 -0.03 0.03 1.61 -0.05 -1.26 0.53 135.00 135.27 1djz n PRO 248 Ca 0.00 1.11 -0.10 0.00 -0.05 0.00 0.00 63.50 64.46 1djz n PRO 248 Cb 0.00 -2.22 -0.04 0.00 -0.05 0.00 0.00 33.50 31.19 1djz n PRO 248 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1djz h ALA 249 N 1.38 -0.18 0.17 0.55 0.00 -1.94 0.30 119.26 119.53 1djz h ALA 249 Ca 0.80 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.72 1djz h ALA 249 Cb 2.63 0.34 0.00 0.00 0.00 0.00 0.00 17.79 20.76 1djz h ALA 249 CO -0.38 -0.66 -0.08 1.25 0.00 0.00 0.00 179.25 179.38 1djz h LEU 250 N -0.27 -0.19 -0.94 0.00 5.85 -0.17 -2.15 115.31 117.46 1djz h LEU 250 Ca 0.07 -0.33 0.24 0.00 0.84 0.00 0.00 57.88 58.70 1djz h LEU 250 Cb 0.37 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 41.32 1djz h LEU 250 CO -0.21 0.28 0.46 0.00 -0.34 0.00 0.00 178.44 178.63 1djz h ALA 251 N -0.05 1.58 0.07 1.25 0.00 -1.15 0.14 119.26 121.10 1djz h ALA 251 Ca -0.02 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1djz h ALA 251 Cb 0.51 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1djz h ALA 251 CO 0.04 -0.36 -0.03 -0.07 0.00 0.00 0.00 179.25 178.83 1djz h LEU 252 N 0.43 -0.08 -1.25 0.00 3.38 -0.38 -2.36 115.31 115.05 1djz h LEU 252 Ca 0.60 -0.38 0.13 0.00 0.09 0.00 0.00 57.88 58.32 1djz h LEU 252 Cb 1.19 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 1djz h LEU 252 CO -0.53 0.35 0.57 0.77 0.09 0.00 0.00 178.44 179.69 1djz h SER 253 N -0.52 0.71 0.47 -0.43 4.64 -0.58 0.39 113.55 118.22 1djz h SER 253 Ca -0.01 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1djz h SER 253 Cb 0.45 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1djz h SER 253 CO 0.01 0.38 -0.29 -0.07 -0.87 0.00 0.00 176.83 176.00 1djz h LEU 254 N 0.76 -0.72 0.02 5.97 4.07 -0.47 0.21 115.31 125.15 1djz h LEU 254 Ca 0.43 0.04 0.02 0.00 0.08 0.00 0.00 57.88 58.46 1djz h LEU 254 Cb 0.60 0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.52 1djz h LEU 254 CO -0.20 -0.45 -0.19 0.40 -1.08 0.00 0.00 178.44 176.92 1djz h ILE 255 N -0.72 0.55 -0.28 1.22 2.04 -0.77 1.94 117.51 121.49 1djz h ILE 255 Ca -0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1djz h ILE 255 Cb 0.59 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1djz h ILE 255 CO 0.05 0.00 0.02 -0.08 0.00 0.00 0.00 178.15 178.14 1djz h GLU 256 N -0.32 0.11 -0.09 2.37 4.57 -0.06 0.67 114.58 121.83 1djz h GLU 256 Ca 0.05 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 1djz h GLU 256 Cb 0.38 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1djz h GLU 256 CO -0.16 0.07 -0.61 -0.09 -1.18 0.00 0.00 179.01 177.04 1djz h ARG 257 N 0.11 0.31 -0.00 1.92 2.43 -0.22 -3.38 114.38 115.55 1djz h ARG 257 Ca 0.13 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1djz h ARG 257 Cb 0.17 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1djz h ARG 257 CO -0.21 0.82 -0.16 0.66 -1.51 0.00 0.00 179.97 179.57 1djz n TYR 258 N -3.88 0.00 -2.59 2.20 4.01 0.65 -4.99 117.16 112.55 1djz n TYR 258 Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.28 1djz n TYR 258 Cb 0.62 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.63 1djz n TYR 258 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1djz s GLU 259 N -1.31 4.19 0.15 -0.72 2.56 0.23 -4.34 118.70 119.45 1djz s GLU 259 Ca 0.01 1.34 -0.11 0.00 0.00 0.00 0.00 54.97 56.22 1djz s GLU 259 Cb 0.03 -3.70 -0.02 0.00 2.00 0.00 0.00 34.13 32.43 1djz s GLU 259 CO 0.14 -0.74 1.50 -1.00 -0.56 0.00 0.00 175.26 174.60 1djz h PRO 260 N 7.88 0.96 -6.10 4.30 0.13 -1.92 -3.44 132.00 133.81 1djz h PRO 260 Ca -0.21 -0.48 -0.53 0.00 -0.87 0.00 0.00 66.00 63.91 1djz h PRO 260 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1djz h PRO 260 CO 0.99 1.14 1.33 0.45 -0.23 0.00 0.00 178.00 181.68 1djz s SER 261 N -6.81 5.53 0.33 1.44 0.15 -1.26 -4.85 113.70 108.24 1djz s SER 261 Ca -0.11 0.83 0.13 0.00 0.70 0.00 0.00 55.95 57.50 1djz s SER 261 Cb 0.12 -2.53 1.03 0.00 -1.71 0.00 0.00 66.02 62.93 1djz s SER 261 CO 0.88 -2.08 1.66 -0.08 1.20 0.00 0.00 173.24 174.82 1djz h GLU 262 N 14.19 0.30 0.00 5.44 4.22 -1.99 0.30 114.58 137.04 1djz h GLU 262 Ca -0.29 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.13 1djz h GLU 262 Cb 1.17 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1djz h GLU 262 CO 1.13 0.20 0.00 2.41 -2.18 0.00 0.00 179.01 180.57 1djz n THR 263 N -5.08 0.00 -0.37 0.32 -1.04 -1.26 -2.10 114.28 104.76 1djz n THR 263 Ca 0.30 0.81 0.28 0.00 -2.04 0.00 0.00 64.05 63.41 1djz n THR 263 Cb 0.94 -1.58 0.54 0.00 -1.82 0.00 0.00 70.33 68.42 1djz n THR 263 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1djz h ALA 264 N -2.00 2.27 0.23 2.41 0.00 -1.80 0.88 119.26 121.25 1djz h ALA 264 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1djz h ALA 264 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1djz h ALA 264 CO 0.00 -0.86 -0.28 -0.22 0.00 0.00 0.00 179.25 177.89 1djz h LYS 265 N 0.25 -0.50 -0.99 0.00 3.64 -0.50 0.24 116.57 118.71 1djz h LYS 265 Ca 0.74 0.03 0.24 0.00 -1.27 0.00 0.00 60.65 60.39 1djz h LYS 265 Cb 1.96 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 33.77 1djz h LYS 265 CO -0.49 -0.34 0.57 0.00 -2.27 0.00 0.00 179.45 176.92 1djz h ALA 266 N -1.23 1.72 -0.15 5.00 0.00 0.10 0.23 119.26 124.95 1djz h ALA 266 Ca -0.03 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1djz h ALA 266 Cb 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1djz h ALA 266 CO -0.06 -0.25 0.03 1.04 0.00 0.00 0.00 179.25 180.01 1djz n GLN 267 N -4.90 1.74 -3.78 0.00 6.02 0.17 -4.89 117.38 111.75 1djz n GLN 267 Ca 0.26 -0.68 -0.35 0.00 -0.01 0.00 0.00 57.00 56.21 1djz n GLN 267 Cb 0.71 -1.58 0.04 0.00 1.02 0.00 0.00 30.24 30.43 1djz n GLN 267 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1djz n ARG 268 N 0.14 -0.97 -3.77 -1.09 1.74 0.82 -4.96 116.66 108.57 1djz n ARG 268 Ca 0.08 0.38 -0.12 0.00 -0.77 0.00 0.00 57.85 57.41 1djz n ARG 268 Cb 0.52 -3.70 -0.08 0.00 -1.02 0.00 0.00 32.46 28.18 1djz n ARG 268 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1djz s GLN 269 N -6.30 0.71 -0.18 5.56 -0.21 0.68 -3.64 119.66 116.28 1djz s GLN 269 Ca 0.47 -0.37 -0.00 0.00 0.02 0.00 0.00 55.36 55.48 1djz s GLN 269 Cb -0.19 0.31 0.01 0.00 1.00 0.00 0.00 33.01 34.14 1djz s GLN 269 CO 0.89 -0.21 -0.16 1.41 -2.12 0.00 0.00 175.29 175.10 1djz s MET 270 N -1.91 3.10 0.81 2.91 -2.45 0.88 -3.85 119.30 118.79 1djz s MET 270 Ca -0.10 -0.78 -0.11 0.00 -1.25 0.00 0.00 55.69 53.45 1djz s MET 270 Cb -0.03 -2.67 0.10 0.00 1.25 0.00 0.00 34.83 33.48 1djz s MET 270 CO 0.00 -0.18 1.17 0.95 1.05 0.00 0.00 175.02 178.01 1djz s THR 271 N 1.27 2.06 0.21 10.11 -4.23 -1.26 -0.94 115.64 122.85 1djz s THR 271 Ca 0.04 -0.07 -0.09 0.00 -1.18 0.00 0.00 61.69 60.38 1djz s THR 271 Cb -0.14 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 70.86 1djz s THR 271 CO -0.09 0.00 1.77 0.50 -0.54 0.00 0.00 174.62 176.26 1djz h LYS 272 N -1.06 0.52 0.19 3.99 3.64 -2.00 -0.27 116.57 121.58 1djz h LYS 272 Ca -0.45 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1djz h LYS 272 Cb 1.31 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1djz h LYS 272 CO 0.59 0.34 -0.40 -0.44 -2.27 0.00 0.00 179.45 177.27 1djz h ASP 273 N 0.53 -1.15 -0.24 4.20 3.32 -1.98 0.28 116.42 121.38 1djz h ASP 273 Ca 0.31 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.55 1djz h ASP 273 Cb 0.31 0.42 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1djz h ASP 273 CO -0.25 -0.49 0.23 1.23 -1.72 0.00 0.00 179.24 178.24 1djz h GLY 274 N -0.68 0.00 0.70 2.75 0.00 -1.62 0.34 103.07 104.57 1djz h GLY 274 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1djz h GLY 274 CO -0.19 0.00 -0.06 -2.75 0.00 0.00 0.00 176.54 173.53 1djz h PHE 275 N 0.00 0.28 -0.40 5.60 3.57 0.12 -1.67 116.94 124.44 1djz h PHE 275 Ca 0.11 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1djz h PHE 275 Cb 0.58 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1djz h PHE 275 CO 0.00 0.60 -0.01 1.25 -2.23 0.00 0.00 178.31 177.92 1djz h LEU 276 N -0.13 0.60 0.21 0.59 5.85 0.17 -1.47 115.31 121.14 1djz h LEU 276 Ca 0.02 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1djz h LEU 276 Cb 0.53 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1djz h LEU 276 CO 0.02 0.68 -0.11 0.24 -0.34 0.00 0.00 178.44 178.93 1djz h MET 277 N 0.60 -0.28 0.27 1.25 2.86 -0.26 -2.25 114.93 117.11 1djz h MET 277 Ca 0.12 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1djz h MET 277 Cb 0.39 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1djz h MET 277 CO 0.01 -0.19 -0.32 -0.92 1.06 0.00 0.00 176.91 176.55 1djz h TYR 278 N -0.29 -0.87 -1.01 -0.22 3.20 -0.81 -0.20 116.97 116.76 1djz h TYR 278 Ca -0.03 0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.12 1djz h TYR 278 Cb 0.23 0.35 -0.07 0.00 1.54 0.00 0.00 36.73 38.78 1djz h TYR 278 CO -0.07 -0.45 0.68 -0.07 -1.64 0.00 0.00 178.16 176.61 1djz h LEU 279 N -0.64 0.30 -0.67 2.82 3.38 -1.15 0.44 115.31 119.79 1djz h LEU 279 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1djz h LEU 279 Cb 0.60 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1djz h LEU 279 CO -0.10 0.08 -0.32 0.18 0.09 0.00 0.00 178.44 178.37 1djz n LEU 280 N -4.47 1.36 0.00 1.67 4.77 -0.86 -3.90 117.00 115.57 1djz n LEU 280 Ca 0.23 -0.43 -0.22 0.00 -0.03 0.00 0.00 56.01 55.56 1djz n LEU 280 Cb 0.91 -0.08 0.16 0.00 -2.33 0.00 0.00 43.42 42.08 1djz n LEU 280 CO 0.31 0.25 0.64 -1.54 -1.33 0.00 0.00 177.39 175.73 1djz n SER 281 N -0.42 -0.15 0.20 -1.43 3.41 0.15 -4.83 113.62 110.55 1djz n SER 281 Ca 0.11 -1.32 0.14 0.00 -0.26 0.00 0.00 58.87 57.54 1djz n SER 281 Cb 0.39 -0.77 0.67 0.00 -0.26 0.00 0.00 64.21 64.23 1djz n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djz h ALA 282 N -1.93 1.00 0.00 7.33 0.00 -1.90 0.45 119.26 124.21 1djz h ALA 282 Ca -0.33 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1djz h ALA 282 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1djz h ALA 282 CO 0.23 0.00 -1.45 -0.25 0.00 0.00 0.00 179.25 177.78 1djz n ASP 283 N -2.51 0.72 -0.06 0.00 8.00 -1.26 -3.79 116.55 117.65 1djz n ASP 283 Ca -0.00 0.31 0.12 0.00 0.71 0.00 0.00 54.79 55.93 1djz n ASP 283 Cb 0.15 0.45 0.32 0.00 -0.02 0.00 0.00 41.12 42.02 1djz n ASP 283 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1djz n GLY 284 N 1.36 -1.12 3.74 0.44 0.00 0.03 -4.91 105.19 104.72 1djz n GLY 284 Ca -0.09 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1djz n GLY 284 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1djz n ASN 285 N -1.30 3.86 0.29 1.61 2.85 -0.47 -1.77 115.26 120.32 1djz n ASN 285 Ca 0.07 1.13 0.16 0.00 -0.11 0.00 0.00 54.58 55.84 1djz n ASN 285 Cb 0.34 -1.58 0.88 0.00 1.24 0.00 0.00 39.78 40.65 1djz n ASN 285 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1djz h ALA 286 N 5.17 1.23 -2.29 5.20 0.00 -1.71 -3.38 119.26 123.48 1djz h ALA 286 Ca -0.46 -0.05 -0.68 0.00 0.00 0.00 0.00 54.91 53.72 1djz h ALA 286 Cb 1.22 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.83 1djz h ALA 286 CO 0.83 0.07 -0.08 0.12 0.00 0.00 0.00 179.25 180.18 1djz s PHE 287 N -4.20 3.13 -0.56 0.00 2.19 -1.26 -0.17 117.98 117.10 1djz s PHE 287 Ca -0.03 -0.31 -0.42 0.00 0.33 0.00 0.00 56.93 56.50 1djz s PHE 287 Cb 0.13 -3.10 -0.19 0.00 -1.31 0.00 0.00 43.02 38.55 1djz s PHE 287 CO 0.53 -0.79 2.22 0.45 1.83 0.00 0.00 175.22 179.46 1djz n SER 288 N 5.85 0.78 -0.34 6.13 2.88 0.26 -4.84 113.62 124.34 1djz n SER 288 Ca -0.06 0.59 0.21 0.00 -1.33 0.00 0.00 58.87 58.29 1djz n SER 288 Cb 0.47 -0.93 0.46 0.00 -0.75 0.00 0.00 64.21 63.46 1djz n SER 288 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1djz h LEU 289 N 9.65 0.55 -1.02 2.46 5.85 -1.85 0.89 115.31 131.84 1djz h LEU 289 Ca -0.10 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1djz h LEU 289 Cb 1.40 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 1djz h LEU 289 CO 1.13 0.06 0.46 0.00 -0.34 0.00 0.00 178.44 179.74 1djz h ALA 290 N 1.69 1.25 0.00 1.25 0.00 -1.92 -1.85 119.26 119.68 1djz h ALA 290 Ca 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1djz h ALA 290 Cb 1.46 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1djz h ALA 290 CO -0.41 0.61 0.00 0.72 0.00 0.00 0.00 179.25 180.17 1djz n HIS 291 N -4.35 0.00 -1.23 0.00 8.25 0.29 -3.61 115.22 114.57 1djz n HIS 291 Ca 0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.25 1djz n HIS 291 Cb 0.09 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.32 1djz n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1djz n ARG 292 N -0.99 2.45 -3.66 -0.41 1.74 -0.70 -1.44 116.66 113.66 1djz n ARG 292 Ca 0.21 -3.04 -0.15 0.00 -0.77 0.00 0.00 57.85 54.10 1djz n ARG 292 Cb 0.10 -2.19 -0.08 0.00 -1.02 0.00 0.00 32.46 29.27 1djz n ARG 292 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1djz s ARG 293 N -3.46 0.80 -0.09 5.56 1.70 -1.24 -4.30 118.95 117.93 1djz s ARG 293 Ca 0.59 0.17 -0.33 0.00 -0.47 0.00 0.00 55.73 55.69 1djz s ARG 293 Cb 0.48 0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 35.13 1djz s ARG 293 CO 0.04 -0.22 1.97 0.28 -1.08 0.00 0.00 175.30 176.29 1djz n VAL 294 N 1.45 0.58 -0.80 4.99 0.31 -1.24 -3.34 118.33 120.28 1djz n VAL 294 Ca -0.19 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1djz n VAL 294 Cb 0.56 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1djz n VAL 294 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1djz n TYR 295 N 7.69 0.00 -3.90 3.52 0.18 -1.26 -4.96 117.16 118.43 1djz n TYR 295 Ca 0.24 -0.08 -0.25 0.00 1.88 0.00 0.00 57.90 59.70 1djz n TYR 295 Cb 0.34 -0.01 -0.03 0.00 -0.38 0.00 0.00 39.34 39.26 1djz n TYR 295 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1djz s GLN 296 N -0.16 2.31 -0.55 -3.48 -2.07 -1.26 -5.01 119.66 109.44 1djz s GLN 296 Ca 0.00 -1.87 -0.26 0.00 -1.82 0.00 0.00 55.36 51.41 1djz s GLN 296 Cb 0.00 -2.12 -0.07 0.00 -1.09 0.00 0.00 33.01 29.74 1djz s GLN 296 CO 0.00 -0.37 2.30 0.34 -1.32 0.00 0.00 175.29 176.24 1djz s ASP 297 N -4.13 4.54 -0.11 12.60 -1.08 -1.26 -4.78 116.67 122.45 1djz s ASP 297 Ca 0.38 0.81 0.04 0.00 -0.52 0.00 0.00 52.55 53.26 1djz s ASP 297 Cb -0.01 -2.51 0.30 0.00 -1.46 0.00 0.00 42.92 39.24 1djz s ASP 297 CO 0.23 -2.89 1.06 0.23 0.52 0.00 0.00 175.17 174.31 1djz n MET 298 N 9.02 2.27 0.00 4.34 2.81 -1.26 -4.27 117.12 130.03 1djz n MET 298 Ca 0.35 -1.19 0.04 0.00 -1.81 0.00 0.00 57.70 55.09 1djz n MET 298 Cb 0.53 -1.72 -0.02 0.00 -0.71 0.00 0.00 33.22 31.30 1djz n MET 298 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1djz n ASP 299 N 0.16 0.87 -4.89 7.83 8.00 -1.26 -1.60 116.55 125.66 1djz n ASP 299 Ca 0.13 -0.94 -0.29 0.00 0.71 0.00 0.00 54.79 54.40 1djz n ASP 299 Cb 0.69 0.67 0.08 0.00 -0.02 0.00 0.00 41.12 42.54 1djz n ASP 299 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1djz s GLN 300 N -1.50 2.13 0.60 -1.24 -0.21 -1.26 -4.60 119.66 113.59 1djz s GLN 300 Ca 0.06 0.22 -0.18 0.00 0.02 0.00 0.00 55.36 55.48 1djz s GLN 300 Cb 0.07 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.09 1djz s GLN 300 CO 0.28 -1.50 1.20 -2.14 -2.12 0.00 0.00 175.29 171.01 1djz s PRO 301 N -5.50 2.93 0.31 2.91 0.02 -1.26 -3.56 135.00 130.86 1djz s PRO 301 Ca 0.61 1.79 0.08 0.00 0.02 0.00 0.00 61.00 63.50 1djz s PRO 301 Cb -0.11 -1.93 0.85 0.00 0.02 0.00 0.00 34.50 33.33 1djz s PRO 301 CO 0.50 -1.23 1.71 -0.07 -0.33 0.00 0.00 177.00 177.59 1djz h LEU 302 N 0.79 0.56 -0.51 -5.54 3.38 -0.50 0.15 115.31 113.65 1djz h LEU 302 Ca -0.50 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1djz h LEU 302 Cb 1.29 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1djz h LEU 302 CO 0.55 0.06 0.28 -1.54 0.09 0.00 0.00 178.44 177.88 1djz n SER 303 N -4.94 0.20 -0.41 -0.43 3.41 -1.26 -0.77 113.62 109.41 1djz n SER 303 Ca 0.26 0.44 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1djz n SER 303 Cb 0.73 -0.40 0.25 0.00 -0.26 0.00 0.00 64.21 64.53 1djz n SER 303 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1djz n HIS 304 N -1.74 0.00 -4.28 7.33 8.25 0.53 -4.73 115.22 120.57 1djz n HIS 304 Ca -0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 1djz n HIS 304 Cb 0.29 -0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.27 1djz n HIS 304 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1djz s TYR 305 N -2.40 2.70 -0.01 4.41 1.51 0.05 -0.78 117.35 122.83 1djz s TYR 305 Ca 0.24 -0.21 -0.19 0.00 -1.01 0.00 0.00 57.07 55.90 1djz s TYR 305 Cb 0.19 -1.24 -0.05 0.00 -0.11 0.00 0.00 41.96 40.75 1djz s TYR 305 CO 0.50 0.59 0.55 -0.51 -1.11 0.00 0.00 175.55 175.57 1djz s LEU 306 N -3.39 4.42 -0.15 -1.29 1.43 0.18 -4.71 118.68 115.16 1djz s LEU 306 Ca 0.29 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 1djz s LEU 306 Cb -0.07 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.30 1djz s LEU 306 CO 0.19 0.14 -0.16 -0.69 0.23 0.00 0.00 176.35 176.05 1djz s VAL 307 N -0.29 2.62 -0.26 -1.59 1.01 -0.42 -1.70 120.40 119.76 1djz s VAL 307 Ca 0.29 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 1djz s VAL 307 Cb -0.18 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1djz s VAL 307 CO 0.16 0.52 1.92 -0.55 0.00 0.00 0.00 175.10 177.15 1djz s SER 308 N 0.79 5.83 -0.03 3.32 0.15 -0.91 -4.25 113.70 118.61 1djz s SER 308 Ca -0.06 1.60 0.06 0.00 0.70 0.00 0.00 55.95 58.25 1djz s SER 308 Cb -0.15 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.62 1djz s SER 308 CO 0.00 -1.71 -0.20 -0.44 1.20 0.00 0.00 173.24 172.10 1djz s SER 309 N 6.51 2.36 0.26 5.45 0.01 -1.26 -0.01 113.70 127.02 1djz s SER 309 Ca 0.86 -0.37 0.06 0.00 1.31 0.00 0.00 55.95 57.81 1djz s SER 309 Cb -0.27 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 1djz s SER 309 CO 0.34 0.22 0.33 -0.55 0.41 0.00 0.00 173.24 173.98 1djz s SER 310 N -0.28 6.01 -0.09 2.44 0.15 -0.70 -2.42 113.70 118.80 1djz s SER 310 Ca 0.03 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.64 1djz s SER 310 Cb -0.09 -1.61 -0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1djz s SER 310 CO 0.01 -0.12 -0.24 -2.28 1.20 0.00 0.00 173.24 171.80 1djz s HIS 311 N -2.06 2.52 -1.50 3.44 5.04 0.15 -4.48 115.29 118.39 1djz s HIS 311 Ca 0.35 -1.00 -0.01 0.00 -1.54 0.00 0.00 55.06 52.86 1djz s HIS 311 Cb -0.09 -1.68 0.01 0.00 0.04 0.00 0.00 32.58 30.86 1djz s HIS 311 CO 0.28 -0.39 0.22 0.09 -2.34 0.00 0.00 174.74 172.59 1djz n ASN 312 N 3.46 0.21 -0.60 9.88 3.02 -1.26 -4.60 115.26 125.38 1djz n ASN 312 Ca -0.19 -1.16 0.47 0.00 -0.03 0.00 0.00 54.58 53.67 1djz n ASN 312 Cb 0.53 -2.25 0.74 0.00 -0.61 0.00 0.00 39.78 38.20 1djz n ASN 312 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1djz n THR 313 N -4.49 -0.10 0.31 3.41 -1.04 -1.26 -1.19 114.28 109.94 1djz n THR 313 Ca -0.30 1.56 0.16 0.00 -2.04 0.00 0.00 64.05 63.44 1djz n THR 313 Cb 0.68 -2.58 0.70 0.00 -1.82 0.00 0.00 70.33 67.30 1djz n THR 313 CO 0.00 0.00 0.00 0.10 -0.64 0.00 0.00 175.07 174.53 1djz h TYR 314 N 0.00 0.00 -3.47 -1.42 -0.00 -1.86 -3.38 116.97 106.84 1djz h TYR 314 Ca 0.89 0.00 -0.53 0.00 -0.00 0.00 0.00 58.73 59.09 1djz h TYR 314 Cb 3.31 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 40.01 1djz h TYR 314 CO -0.00 0.00 0.29 -0.51 -0.00 0.00 0.00 178.16 177.94 1djz s LEU 315 N -5.56 4.43 0.15 0.10 1.43 -0.33 -1.54 118.68 117.36 1djz s LEU 315 Ca 0.01 1.62 0.23 0.00 -1.03 0.00 0.00 54.13 54.96 1djz s LEU 315 Cb 0.09 -3.46 0.13 0.00 0.03 0.00 0.00 46.19 42.98 1djz s LEU 315 CO 0.46 -0.11 1.13 0.18 0.23 0.00 0.00 176.35 178.24 1djz n LEU 316 N 3.22 0.75 0.00 1.79 4.77 -0.77 -4.77 117.00 121.99 1djz n LEU 316 Ca 0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1djz n LEU 316 Cb 0.50 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1djz n LEU 316 CO 0.50 -0.10 0.00 -0.62 -1.33 0.00 0.00 177.39 175.84 1djz n GLU 317 N -2.36 0.00 -2.06 3.23 1.02 -1.25 -4.94 120.64 114.28 1djz n GLU 317 Ca 0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.87 1djz n GLU 317 Cb 0.49 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.04 1djz n GLU 317 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1djz s ASP 318 N 1.05 4.02 0.00 1.62 -4.77 -1.26 -4.55 116.67 112.78 1djz s ASP 318 Ca 0.00 0.38 0.26 0.00 -3.30 0.00 0.00 52.55 49.89 1djz s ASP 318 Cb 0.00 -0.72 0.70 0.00 -1.09 0.00 0.00 42.92 41.81 1djz s ASP 318 CO 0.00 -2.15 1.53 0.00 0.70 0.00 0.00 175.17 175.25 1djz n GLN 319 N -3.34 1.26 -0.13 2.11 1.13 -0.37 -3.58 117.38 114.46 1djz n GLN 319 Ca 0.12 -0.82 -0.26 0.00 -1.94 0.00 0.00 57.00 54.09 1djz n GLN 319 Cb 0.60 -1.48 -0.10 0.00 0.11 0.00 0.00 30.24 29.37 1djz n GLN 319 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1djz n LEU 320 N -0.15 2.02 0.00 1.08 4.77 -1.26 -4.73 117.00 118.73 1djz n LEU 320 Ca 0.14 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1djz n LEU 320 Cb 0.39 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1djz n LEU 320 CO 0.22 0.60 0.04 0.35 -1.33 0.00 0.00 177.39 177.28 1djz n THR 321 N -4.02 0.00 -0.36 -5.08 -2.24 -1.26 0.10 114.28 101.42 1djz n THR 321 Ca -0.50 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 60.97 1djz n THR 321 Cb 0.88 1.84 0.29 0.00 -2.10 0.00 0.00 70.33 71.24 1djz n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1djz s GLY 322 N 0.00 1.42 0.44 3.38 0.00 -1.23 -4.43 107.32 106.90 1djz s GLY 322 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.96 1djz s GLY 322 CO 0.00 0.23 0.66 2.56 0.00 0.00 0.00 173.10 176.55 1djz s PRO 323 N -5.02 3.07 0.17 2.90 0.04 -1.26 -2.21 135.00 132.69 1djz s PRO 323 Ca 0.69 -0.51 0.11 0.00 0.04 0.00 0.00 61.00 61.32 1djz s PRO 323 Cb -0.14 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 1djz s PRO 323 CO 0.58 -0.25 -0.24 -1.12 0.04 0.00 0.00 177.00 176.01 1djz s SER 324 N -4.21 3.27 -0.08 6.66 0.01 -1.26 -1.84 113.70 116.24 1djz s SER 324 Ca 0.48 -0.82 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 1djz s SER 324 Cb -0.10 -0.23 0.11 0.00 0.21 0.00 0.00 66.02 66.01 1djz s SER 324 CO 0.38 0.12 0.93 -0.55 0.41 0.00 0.00 173.24 174.52 1djz s SER 325 N -2.46 -0.39 0.40 2.44 0.15 -0.59 -4.83 113.70 108.42 1djz s SER 325 Ca 0.17 0.24 0.14 0.00 0.70 0.00 0.00 55.95 57.21 1djz s SER 325 Cb -0.08 0.36 0.82 0.00 -1.71 0.00 0.00 66.02 65.40 1djz s SER 325 CO 0.08 -0.49 1.87 0.71 1.20 0.00 0.00 173.24 176.62 1djz h THR 326 N 2.34 1.18 -0.94 6.45 1.35 -1.96 -1.98 112.91 119.34 1djz h THR 326 Ca -0.21 -1.11 0.20 0.00 -0.55 0.00 0.00 66.41 64.74 1djz h THR 326 Cb 1.20 1.61 -0.08 0.00 -1.73 0.00 0.00 68.15 69.14 1djz h THR 326 CO 0.31 0.31 0.61 -0.08 -0.25 0.00 0.00 175.52 176.42 1djz h GLU 327 N 0.00 0.54 -0.81 4.72 4.22 -1.94 0.39 114.58 121.70 1djz h GLU 327 Ca -0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 1djz h GLU 327 Cb 0.58 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1djz h GLU 327 CO 0.04 0.36 0.38 0.00 -2.18 0.00 0.00 179.01 177.61 1djz h ALA 328 N 1.62 1.04 -0.41 2.92 0.00 -1.63 0.25 119.26 123.05 1djz h ALA 328 Ca 0.51 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1djz h ALA 328 Cb 1.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1djz h ALA 328 CO -0.25 0.61 -0.20 1.88 0.00 0.00 0.00 179.25 181.29 1djz h TYR 329 N 1.15 0.89 0.23 0.00 0.05 -0.39 -1.45 116.97 117.44 1djz h TYR 329 Ca 0.28 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1djz h TYR 329 Cb 0.13 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.65 1djz h TYR 329 CO 0.01 0.92 -0.11 0.82 -1.05 0.00 0.00 178.16 178.76 1djz h ILE 330 N 0.70 0.85 -0.51 -2.88 2.04 -0.45 -1.63 117.51 115.63 1djz h ILE 330 Ca 0.10 -0.54 0.10 0.00 1.00 0.00 0.00 64.86 65.52 1djz h ILE 330 Cb 0.71 1.16 -0.09 0.00 -0.74 0.00 0.00 36.82 37.86 1djz h ILE 330 CO 0.05 0.12 -0.08 -0.09 0.00 0.00 0.00 178.15 178.16 1djz h ARG 331 N -0.58 0.04 -0.35 2.37 2.43 -0.42 0.46 114.38 118.32 1djz h ARG 331 Ca -0.03 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1djz h ARG 331 Cb 0.43 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1djz h ARG 331 CO 0.05 0.03 0.21 0.00 -1.51 0.00 0.00 179.97 178.75 1djz h ALA 332 N 1.49 0.44 -0.51 2.80 0.00 -1.28 -0.75 119.26 121.45 1djz h ALA 332 Ca 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1djz h ALA 332 Cb 0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1djz h ALA 332 CO -0.48 -0.07 0.18 -0.07 0.00 0.00 0.00 179.25 178.81 1djz h LEU 333 N 0.45 0.68 -0.96 0.00 3.38 -0.05 -0.46 115.31 118.36 1djz h LEU 333 Ca 0.12 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1djz h LEU 333 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1djz h LEU 333 CO -0.02 0.64 -0.38 0.00 0.09 0.00 0.00 178.44 178.76 1djz n LYS 335 N -3.57 1.64 -0.06 0.00 5.02 -0.28 -4.82 118.16 116.09 1djz n LYS 335 Ca -0.00 -0.77 0.00 0.00 -2.02 0.00 0.00 58.31 55.52 1djz n LYS 335 Cb 0.51 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1djz n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1djz n GLY 336 N 0.63 1.11 3.59 0.72 0.00 -0.65 -5.03 105.19 105.56 1djz n GLY 336 Ca 0.07 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.59 1djz n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djz n ARG 338 N 2.10 0.58 -3.62 0.00 5.12 0.98 -4.61 116.66 117.21 1djz n ARG 338 Ca 0.16 0.11 -0.39 0.00 -1.93 0.00 0.00 57.85 55.80 1djz n ARG 338 Cb 0.23 -1.42 -0.11 0.00 -1.16 0.00 0.00 32.46 30.00 1djz n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1djz s LEU 340 N 1.63 3.89 -0.17 0.00 1.43 0.49 -1.73 118.68 124.23 1djz s LEU 340 Ca 0.05 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1djz s LEU 340 Cb -0.17 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 1djz s LEU 340 CO 0.07 0.07 -0.04 -1.61 0.23 0.00 0.00 176.35 175.08 1djz s GLU 341 N -3.07 3.59 -0.22 1.70 2.02 -1.26 -0.22 118.70 121.23 1djz s GLU 341 Ca 0.31 -0.55 0.02 0.00 0.02 0.00 0.00 54.97 54.77 1djz s GLU 341 Cb -0.10 -2.94 0.05 0.00 0.10 0.00 0.00 34.13 31.23 1djz s GLU 341 CO 0.24 0.12 -0.12 -0.51 0.02 0.00 0.00 175.26 175.01 1djz s LEU 342 N 0.67 2.77 -0.63 1.80 1.02 0.20 -4.00 118.68 120.52 1djz s LEU 342 Ca -0.02 -1.09 -0.17 0.00 0.02 0.00 0.00 54.13 52.88 1djz s LEU 342 Cb -0.14 -1.40 0.14 0.00 0.02 0.00 0.00 46.19 44.80 1djz s LEU 342 CO 0.02 -0.15 0.64 -1.81 0.02 0.00 0.00 176.35 175.08 1djz s ASP 343 N 1.25 6.31 -0.15 2.29 1.01 -1.26 -0.28 116.67 125.85 1djz s ASP 343 Ca -0.04 -1.86 -0.16 0.00 0.71 0.00 0.00 52.55 51.20 1djz s ASP 343 Cb -0.17 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1djz s ASP 343 CO -0.08 -0.90 0.40 0.00 0.21 0.00 0.00 175.17 174.80 1djz s TRP 345 N 0.67 1.13 0.46 0.00 0.52 0.69 -0.78 118.94 121.63 1djz s TRP 345 Ca 0.21 -0.61 -0.24 0.00 0.02 0.00 0.00 56.10 55.49 1djz s TRP 345 Cb -0.14 -0.61 -0.07 0.00 -1.15 0.00 0.00 33.47 31.49 1djz s TRP 345 CO 0.07 0.03 1.29 -0.51 0.02 0.00 0.00 176.95 177.86 1djz s ASP 346 N -2.34 5.99 0.20 2.95 1.11 -1.26 0.48 116.67 123.81 1djz s ASP 346 Ca 0.05 2.61 0.00 0.00 0.18 0.00 0.00 52.55 55.39 1djz s ASP 346 Cb -0.04 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.27 1djz s ASP 346 CO 0.01 -1.06 0.08 -0.83 1.18 0.00 0.00 175.17 174.55 1djz s GLY 347 N -0.93 1.40 1.06 0.21 0.00 -1.11 -4.57 107.32 103.38 1djz s GLY 347 Ca 0.62 -1.69 -0.17 0.00 0.00 0.00 0.00 44.72 43.48 1djz s GLY 347 CO 0.45 -1.48 -0.00 -1.05 0.00 0.00 0.00 173.10 171.03 1djz n PRO 348 N -0.29 -1.08 -2.09 2.90 -0.02 -1.26 -2.56 135.00 130.60 1djz n PRO 348 Ca -0.02 -0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.07 1djz n PRO 348 Cb 0.65 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.44 1djz n PRO 348 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1djz n ASN 349 N -1.09 -3.15 -3.23 2.55 3.02 -1.26 -0.85 115.26 111.26 1djz n ASN 349 Ca 0.02 0.25 -0.22 0.00 -0.03 0.00 0.00 54.58 54.60 1djz n ASN 349 Cb 0.60 -2.80 0.00 0.00 -0.61 0.00 0.00 39.78 36.97 1djz n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1djz n GLN 350 N -2.41 -3.63 -4.01 3.52 1.13 -1.06 -4.92 117.38 105.99 1djz n GLN 350 Ca -0.11 0.57 -0.34 0.00 -1.94 0.00 0.00 57.00 55.18 1djz n GLN 350 Cb 0.51 -5.31 -0.15 0.00 0.11 0.00 0.00 30.24 25.40 1djz n GLN 350 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1djz s GLU 351 N -5.88 3.19 0.65 -1.09 0.41 -0.03 -4.87 118.70 111.09 1djz s GLU 351 Ca 0.35 -0.72 -0.17 0.00 -0.41 0.00 0.00 54.97 54.02 1djz s GLU 351 Cb -0.18 -2.80 -0.00 0.00 -1.78 0.00 0.00 34.13 29.36 1djz s GLU 351 CO 0.43 -0.20 1.23 -2.14 -0.49 0.00 0.00 175.26 174.09 1djz s PRO 352 N 1.39 2.59 0.31 0.39 0.02 -1.26 -2.76 135.00 135.67 1djz s PRO 352 Ca 0.05 1.86 0.03 0.00 0.02 0.00 0.00 61.00 62.96 1djz s PRO 352 Cb -0.14 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 1djz s PRO 352 CO -0.08 -1.51 0.07 0.96 -0.33 0.00 0.00 177.00 176.11 1djz s ILE 353 N -1.68 0.98 -0.05 2.83 -4.36 0.18 -2.18 121.20 116.91 1djz s ILE 353 Ca 0.78 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.19 1djz s ILE 353 Cb -0.32 -2.74 0.01 0.00 1.25 0.00 0.00 42.46 40.67 1djz s ILE 353 CO 0.39 0.00 -0.10 -0.63 0.24 0.00 0.00 174.94 174.84 1djz s ILE 354 N -3.44 0.94 0.06 8.37 1.01 0.16 -0.22 121.20 128.07 1djz s ILE 354 Ca 0.37 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 1djz s ILE 354 Cb 0.08 -0.86 0.06 0.00 0.01 0.00 0.00 42.46 41.75 1djz s ILE 354 CO 0.15 0.30 0.84 0.00 0.00 0.00 0.00 174.94 176.23 1djz n TYR 355 N 3.62 -0.74 -2.98 3.97 4.11 -1.15 -1.33 117.16 122.67 1djz n TYR 355 Ca -0.21 -0.72 -0.43 0.00 -0.00 0.00 0.00 57.90 56.54 1djz n TYR 355 Cb 0.52 0.34 -0.05 0.00 -0.00 0.00 0.00 39.34 40.15 1djz n TYR 355 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1djz s HIS 356 N -2.76 3.04 0.21 -3.48 5.65 -1.26 -4.68 115.29 112.00 1djz s HIS 356 Ca 0.19 0.27 -0.32 0.00 0.25 0.00 0.00 55.06 55.45 1djz s HIS 356 Cb -0.01 -3.55 -0.13 0.00 -1.18 0.00 0.00 32.58 27.71 1djz s HIS 356 CO 0.02 -0.89 1.66 0.41 -0.65 0.00 0.00 174.74 175.28 1djz n GLY 357 N 4.85 1.37 2.16 1.59 0.00 -1.26 -1.99 105.19 111.90 1djz n GLY 357 Ca 0.02 0.61 -0.02 0.00 0.00 0.00 0.00 46.02 46.63 1djz n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1djz n TYR 358 N 3.55 0.00 -4.33 1.61 4.01 -1.26 -5.02 117.16 115.72 1djz n TYR 358 Ca 0.15 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.74 1djz n TYR 358 Cb 0.33 -0.74 -0.04 0.00 -0.31 0.00 0.00 39.34 38.58 1djz n TYR 358 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1djz n THR 359 N -2.84 0.00 -0.48 -0.72 -2.24 -0.84 -5.04 114.28 102.12 1djz n THR 359 Ca -0.02 -1.32 0.09 0.00 -2.27 0.00 0.00 64.05 60.53 1djz n THR 359 Cb 0.12 0.39 0.28 0.00 -2.10 0.00 0.00 70.33 69.02 1djz n THR 359 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1djz n PHE 360 N -0.58 1.01 -1.72 4.78 3.01 0.28 -4.91 117.46 119.34 1djz n PHE 360 Ca -0.06 -0.58 -0.42 0.00 1.01 0.00 0.00 57.45 57.39 1djz n PHE 360 Cb 0.34 -0.13 -0.01 0.00 -0.01 0.00 0.00 39.48 39.67 1djz n PHE 360 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1djz n THR 361 N 0.89 1.74 -0.69 4.37 -2.24 -0.53 -4.65 114.28 113.18 1djz n THR 361 Ca 0.21 -0.44 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 1djz n THR 361 Cb 0.69 -1.70 0.16 0.00 -2.10 0.00 0.00 70.33 67.39 1djz n THR 361 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1djz n SER 362 N 1.05 -1.26 -4.52 3.42 3.41 -0.94 -4.57 113.62 110.22 1djz n SER 362 Ca 0.05 0.23 -0.27 0.00 -0.26 0.00 0.00 58.87 58.62 1djz n SER 362 Cb 0.36 -1.27 -0.10 0.00 -0.26 0.00 0.00 64.21 62.93 1djz n SER 362 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1djz s LYS 363 N -4.06 1.86 0.15 4.33 1.02 -1.26 -4.23 119.74 117.56 1djz s LYS 363 Ca 0.62 -1.32 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 1djz s LYS 363 Cb -0.21 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1djz s LYS 363 CO 0.64 0.43 0.18 0.96 -0.92 0.00 0.00 175.35 176.64 1djz s ILE 364 N -1.60 0.08 0.21 2.17 -4.36 -0.44 -4.94 121.20 112.32 1djz s ILE 364 Ca 0.23 -1.65 -0.25 0.00 -0.26 0.00 0.00 60.65 58.72 1djz s ILE 364 Cb -0.09 -1.96 -0.08 0.00 1.25 0.00 0.00 42.46 41.58 1djz s ILE 364 CO 0.13 -0.36 0.82 -0.76 0.24 0.00 0.00 174.94 175.00 1djz s LEU 365 N -3.01 4.52 0.19 0.37 1.43 -1.26 0.36 118.68 121.28 1djz s LEU 365 Ca 0.21 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 1djz s LEU 365 Cb 0.05 -3.50 0.18 0.00 0.03 0.00 0.00 46.19 42.95 1djz s LEU 365 CO 0.01 0.13 1.78 0.15 0.23 0.00 0.00 176.35 178.65 1djz h PHE 366 N 3.96 0.47 0.28 0.29 3.57 -1.71 -1.98 116.94 121.81 1djz h PHE 366 Ca -0.47 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1djz h PHE 366 Cb 1.20 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1djz h PHE 366 CO 0.63 0.21 -0.15 0.00 -2.23 0.00 0.00 178.31 176.77 1djz h ASP 368 N -0.40 0.20 -0.63 0.00 3.32 -1.89 0.29 116.42 117.31 1djz h ASP 368 Ca -0.03 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1djz h ASP 368 Cb 0.32 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1djz h ASP 368 CO 0.05 0.05 0.38 0.58 -1.72 0.00 0.00 179.24 178.57 1djz h VAL 369 N 0.38 1.18 -0.79 -1.35 2.07 -0.95 -1.54 116.25 115.26 1djz h VAL 369 Ca 0.42 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1djz h VAL 369 Cb 0.68 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1djz h VAL 369 CO -0.45 0.19 0.51 -0.07 0.02 0.00 0.00 177.57 177.78 1djz h LEU 370 N 0.85 0.74 0.91 2.57 3.38 0.12 -1.33 115.31 122.55 1djz h LEU 370 Ca 0.22 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1djz h LEU 370 Cb -0.02 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.58 1djz h LEU 370 CO -0.04 0.47 -0.44 0.03 0.09 0.00 0.00 178.44 178.56 1djz h ARG 371 N 0.84 -1.18 -0.78 1.13 3.08 -0.25 0.27 114.38 117.49 1djz h ARG 371 Ca 0.34 0.08 0.18 0.00 0.07 0.00 0.00 59.98 60.65 1djz h ARG 371 Cb 0.25 0.27 -0.12 0.00 0.08 0.00 0.00 29.97 30.45 1djz h ARG 371 CO -0.12 -0.78 0.17 0.00 -1.07 0.00 0.00 179.97 178.17 1djz h ALA 372 N -1.25 1.02 -0.57 0.04 0.00 -1.26 1.05 119.26 118.29 1djz h ALA 372 Ca -0.12 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1djz h ALA 372 Cb 0.94 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1djz h ALA 372 CO 0.20 -0.38 0.13 0.82 0.00 0.00 0.00 179.25 180.02 1djz h ILE 373 N 0.23 1.25 -0.99 0.00 2.04 -1.05 0.66 117.51 119.66 1djz h ILE 373 Ca 0.45 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1djz h ILE 373 Cb 0.82 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 1djz h ILE 373 CO -0.57 0.34 0.64 -0.09 0.00 0.00 0.00 178.15 178.47 1djz h ARG 374 N 0.83 1.31 0.00 2.37 2.43 0.45 -0.21 114.38 121.56 1djz h ARG 374 Ca 0.18 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1djz h ARG 374 Cb 0.37 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1djz h ARG 374 CO 0.00 0.88 -0.06 -0.44 -1.51 0.00 0.00 179.97 178.85 1djz h ASP 375 N 1.35 0.00 -0.00 -3.80 3.32 0.11 -3.38 116.42 114.02 1djz h ASP 375 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1djz h ASP 375 Cb -0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1djz h ASP 375 CO -0.08 0.06 -0.06 -1.22 -1.72 0.00 0.00 179.24 176.22 1djz n TYR 376 N -3.12 0.00 -0.31 4.55 4.02 0.17 -4.76 117.16 117.71 1djz n TYR 376 Ca 0.04 0.00 0.25 0.00 -0.01 0.00 0.00 57.90 58.17 1djz n TYR 376 Cb 0.54 0.00 0.46 0.00 -0.02 0.00 0.00 39.34 40.32 1djz n TYR 376 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1djz n ALA 377 N -0.73 0.80 -0.04 -0.72 0.00 -0.12 -2.29 120.51 117.41 1djz n ALA 377 Ca 0.01 0.99 0.01 0.00 0.00 0.00 0.00 53.44 54.45 1djz n ALA 377 Cb 0.03 -0.89 0.04 0.00 0.00 0.00 0.00 19.45 18.63 1djz n ALA 377 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1djz n PHE 378 N -5.25 0.11 -0.22 0.00 3.72 -1.26 -4.53 117.46 110.03 1djz n PHE 378 Ca 0.31 -0.50 0.02 0.00 -0.05 0.00 0.00 57.45 57.23 1djz n PHE 378 Cb 1.05 -0.04 0.13 0.00 -0.94 0.00 0.00 39.48 39.68 1djz n PHE 378 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1djz h LYS 379 N 0.48 0.33 0.00 -1.08 3.64 -1.75 -2.56 116.57 115.62 1djz h LYS 379 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1djz h LYS 379 Cb 0.56 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1djz h LYS 379 CO 0.00 0.22 -1.10 0.00 -2.27 0.00 0.00 179.45 176.30 1djz n ALA 380 N -2.55 3.33 -3.59 5.00 0.00 -1.26 -4.96 120.51 116.48 1djz n ALA 380 Ca 0.10 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.03 1djz n ALA 380 Cb 0.34 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 1djz n ALA 380 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1djz s SER 381 N -4.05 -0.44 0.00 0.00 0.15 -0.96 -4.66 113.70 103.74 1djz s SER 381 Ca 0.03 0.59 0.27 0.00 0.70 0.00 0.00 55.95 57.54 1djz s SER 381 Cb 0.14 0.51 0.96 0.00 -1.71 0.00 0.00 66.02 65.93 1djz s SER 381 CO 0.81 -0.32 1.72 -0.81 1.20 0.00 0.00 173.24 175.83 1djz n PRO 382 N 1.19 0.22 -2.09 5.44 -0.04 -1.26 -4.10 135.00 134.36 1djz n PRO 382 Ca -0.12 -0.08 -0.32 0.00 -0.04 0.00 0.00 63.50 62.94 1djz n PRO 382 Cb 0.57 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1djz n PRO 382 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1djz s TYR 383 N -2.84 3.38 0.44 0.54 2.02 -1.26 -0.73 117.35 118.90 1djz s TYR 383 Ca 0.17 1.42 -0.23 0.00 -0.37 0.00 0.00 57.07 58.06 1djz s TYR 383 Cb 0.19 -2.82 -0.10 0.00 -0.40 0.00 0.00 41.96 38.82 1djz s TYR 383 CO 0.57 -0.69 0.94 -0.35 -1.57 0.00 0.00 175.55 174.45 1djz n PRO 384 N -2.18 1.19 -4.16 -1.71 -0.04 -1.26 -4.64 135.00 122.20 1djz n PRO 384 Ca 0.07 0.43 -0.35 0.00 -0.04 0.00 0.00 63.50 63.61 1djz n PRO 384 Cb 0.54 -1.97 -0.13 0.00 -0.04 0.00 0.00 33.50 31.90 1djz n PRO 384 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1djz s VAL 385 N -1.32 3.75 -0.16 0.52 1.01 -1.08 -4.83 120.40 118.28 1djz s VAL 385 Ca 0.64 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 1djz s VAL 385 Cb -0.55 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1djz s VAL 385 CO 0.56 0.45 0.22 -0.63 0.00 0.00 0.00 175.10 175.70 1djz s ILE 386 N 0.92 5.35 -0.27 2.22 1.01 -0.03 -1.11 121.20 129.29 1djz s ILE 386 Ca 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.98 1djz s ILE 386 Cb -0.14 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 1djz s ILE 386 CO 0.01 0.45 0.06 -0.76 0.00 0.00 0.00 174.94 174.70 1djz s LEU 387 N 0.16 3.56 -0.55 2.97 1.43 0.65 -0.38 118.68 126.52 1djz s LEU 387 Ca 0.14 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.61 1djz s LEU 387 Cb -0.12 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.27 1djz s LEU 387 CO 0.02 -0.10 0.73 -0.55 0.23 0.00 0.00 176.35 176.69 1djz s SER 388 N 1.56 6.22 -0.04 2.29 0.15 0.69 0.18 113.70 124.74 1djz s SER 388 Ca 0.05 -0.97 -0.21 0.00 0.70 0.00 0.00 55.95 55.52 1djz s SER 388 Cb -0.16 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 1djz s SER 388 CO 0.02 -1.07 0.61 -0.76 1.20 0.00 0.00 173.24 173.25 1djz s LEU 389 N 3.02 4.36 -0.39 3.45 1.43 -0.18 -0.62 118.68 129.74 1djz s LEU 389 Ca 0.17 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 1djz s LEU 389 Cb -0.19 -2.93 0.11 0.00 0.03 0.00 0.00 46.19 43.21 1djz s LEU 389 CO 0.11 0.01 0.12 -0.70 0.23 0.00 0.00 176.35 176.13 1djz s GLU 390 N 0.27 1.69 -0.09 1.70 2.12 0.61 -4.55 118.70 120.46 1djz s GLU 390 Ca 0.32 -2.02 -0.22 0.00 0.36 0.00 0.00 54.97 53.41 1djz s GLU 390 Cb -0.17 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1djz s GLU 390 CO 0.16 -1.00 0.67 1.21 -0.54 0.00 0.00 175.26 175.76 1djz s ASN 391 N 0.84 6.91 -0.02 -1.70 2.47 -1.26 0.55 114.94 122.73 1djz s ASN 391 Ca 0.12 1.10 0.08 0.00 0.42 0.00 0.00 52.86 54.58 1djz s ASN 391 Cb -0.21 -2.39 0.14 0.00 -1.45 0.00 0.00 41.25 37.35 1djz s ASN 391 CO -0.06 -0.12 1.06 1.41 -3.72 0.00 0.00 177.10 175.67 1djz n HIS 392 N 3.94 0.00 -3.57 0.43 8.25 0.04 -4.96 115.22 119.36 1djz n HIS 392 Ca -0.02 -0.27 -0.34 0.00 -0.26 0.00 0.00 57.72 56.84 1djz n HIS 392 Cb 0.51 -0.09 -0.05 0.00 1.12 0.00 0.00 29.99 31.48 1djz n HIS 392 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1djz s SER 394 N -1.97 3.83 0.28 0.00 1.04 -1.26 -4.59 113.70 111.03 1djz s SER 394 Ca 0.37 2.34 0.02 0.00 0.48 0.00 0.00 55.95 59.16 1djz s SER 394 Cb -0.13 -2.59 0.66 0.00 0.10 0.00 0.00 66.02 64.06 1djz s SER 394 CO 0.20 -2.51 1.74 -0.07 0.98 0.00 0.00 173.24 173.58 1djz h LEU 395 N -0.71 0.49 0.82 2.42 3.38 -1.94 0.23 115.31 120.00 1djz h LEU 395 Ca -0.47 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1djz h LEU 395 Cb 1.29 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1djz h LEU 395 CO 0.47 0.13 -0.44 -0.08 0.09 0.00 0.00 178.44 178.62 1djz h GLU 396 N 0.55 -1.11 -0.70 1.13 4.57 -2.00 -1.76 114.58 115.25 1djz h GLU 396 Ca 0.53 0.08 0.11 0.00 -1.18 0.00 0.00 59.36 58.90 1djz h GLU 396 Cb 0.89 0.25 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 1djz h GLU 396 CO -0.44 -0.74 0.47 1.96 -1.18 0.00 0.00 179.01 179.08 1djz h GLN 397 N -1.16 0.50 -0.56 1.92 4.20 -1.76 0.20 115.11 118.45 1djz h GLN 397 Ca -0.11 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.61 1djz h GLN 397 Cb 0.90 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 1djz h GLN 397 CO 0.15 0.33 0.30 1.96 -0.67 0.00 0.00 178.83 180.91 1djz h GLN 398 N 0.51 0.56 -0.43 1.46 4.20 -0.18 0.13 115.11 121.37 1djz h GLN 398 Ca 0.33 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1djz h GLN 398 Cb 0.59 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1djz h GLN 398 CO -0.11 0.37 0.23 0.00 -0.67 0.00 0.00 178.83 178.65 1djz h ARG 399 N 0.58 0.60 -0.97 1.46 3.08 -0.10 -1.07 114.38 117.95 1djz h ARG 399 Ca 0.25 -0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.38 1djz h ARG 399 Cb 0.13 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 29.97 1djz h ARG 399 CO -0.16 0.48 0.59 0.28 -1.07 0.00 0.00 179.97 180.09 1djz h VAL 400 N 0.55 0.80 0.70 2.04 2.07 -0.26 0.07 116.25 122.23 1djz h VAL 400 Ca 0.15 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1djz h VAL 400 Cb 0.06 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1djz h VAL 400 CO -0.02 0.15 -0.48 0.24 0.02 0.00 0.00 177.57 177.48 1djz h MET 401 N 0.83 -1.08 -0.10 1.57 2.86 0.21 -0.75 114.93 118.48 1djz h MET 401 Ca 0.52 0.07 0.03 0.00 -2.06 0.00 0.00 59.70 58.26 1djz h MET 401 Cb 0.68 0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 1djz h MET 401 CO -0.33 -0.72 0.28 0.00 1.06 0.00 0.00 176.91 177.20 1djz h ALA 402 N -1.00 1.49 0.09 6.32 0.00 0.15 0.13 119.26 126.43 1djz h ALA 402 Ca -0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1djz h ALA 402 Cb 0.92 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1djz h ALA 402 CO 0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 179.25 178.94 1djz h ARG 403 N 0.00 -0.11 -0.76 0.00 3.08 0.26 -2.87 114.38 113.98 1djz h ARG 403 Ca 0.05 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.27 1djz h ARG 403 Cb 0.61 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.57 1djz h ARG 403 CO -0.00 0.38 0.19 0.45 -1.07 0.00 0.00 179.97 179.92 1djz h HIS 404 N -0.92 0.30 0.42 3.04 3.86 0.01 0.83 115.15 122.68 1djz h HIS 404 Ca -0.01 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1djz h HIS 404 Cb 0.55 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 1djz h HIS 404 CO 0.12 -0.10 -0.50 -0.07 0.86 0.00 0.00 177.93 178.23 1djz h LEU 405 N 0.27 -1.41 -0.61 2.43 3.38 -1.03 0.74 115.31 119.08 1djz h LEU 405 Ca 0.44 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.53 1djz h LEU 405 Cb 0.77 0.48 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1djz h LEU 405 CO -0.53 -0.64 0.37 -0.09 0.09 0.00 0.00 178.44 177.64 1djz h ARG 406 N -0.95 0.82 -0.10 1.13 2.43 -1.13 0.92 114.38 117.51 1djz h ARG 406 Ca -0.05 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1djz h ARG 406 Cb 0.85 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1djz h ARG 406 CO -0.11 0.58 0.01 0.00 -1.51 0.00 0.00 179.97 178.94 1djz h ALA 407 N 1.19 0.13 0.02 2.80 0.00 0.10 -2.36 119.26 121.15 1djz h ALA 407 Ca 0.22 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1djz h ALA 407 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1djz h ALA 407 CO -0.04 -0.21 -0.73 0.82 0.00 0.00 0.00 179.25 179.08 1djz h ILE 408 N -0.08 1.33 0.00 0.00 2.04 0.81 -3.34 117.51 118.27 1djz h ILE 408 Ca 0.03 -2.30 -0.05 0.00 1.00 0.00 0.00 64.86 63.54 1djz h ILE 408 Cb 0.30 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1djz h ILE 408 CO 0.00 0.51 -0.25 -0.07 0.00 0.00 0.00 178.15 178.34 1djz h LEU 409 N -0.87 0.00 0.00 1.44 4.07 0.77 -3.47 115.31 117.25 1djz h LEU 409 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1djz h LEU 409 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1djz h LEU 409 CO -0.07 0.25 0.00 0.61 -1.08 0.00 0.00 178.44 178.15 1djz n GLY 410 N -0.35 3.24 0.25 0.83 0.00 -0.89 -1.48 105.19 106.80 1djz n GLY 410 Ca -0.01 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.12 1djz n GLY 410 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djz h PRO 411 N 0.00 0.00 -0.17 1.61 0.13 -1.90 -2.93 132.00 128.74 1djz h PRO 411 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1djz h PRO 411 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1djz h PRO 411 CO 0.00 0.00 -0.11 0.82 -0.23 0.00 0.00 178.00 178.48 1djz h ILE 412 N 0.00 1.18 -2.90 -3.56 2.04 -1.56 -3.43 117.51 109.28 1djz h ILE 412 Ca 0.00 -0.77 -0.52 0.00 1.00 0.00 0.00 64.86 64.57 1djz h ILE 412 Cb 0.43 1.18 0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1djz h ILE 412 CO 0.00 0.24 0.88 -0.22 0.00 0.00 0.00 178.15 179.05 1djz s LEU 413 N -8.80 4.37 -0.38 1.44 2.96 -1.11 -0.68 118.68 116.47 1djz s LEU 413 Ca -0.06 2.67 -0.16 0.00 -0.22 0.00 0.00 54.13 56.36 1djz s LEU 413 Cb 0.15 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.25 1djz s LEU 413 CO 0.73 -0.83 0.41 -0.22 -1.32 0.00 0.00 176.35 175.12 1djz s LEU 414 N 0.88 4.66 -0.05 -0.68 2.96 -0.78 -4.85 118.68 120.83 1djz s LEU 414 Ca 0.69 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 54.22 1djz s LEU 414 Cb -0.44 -2.37 0.17 0.00 0.50 0.00 0.00 46.19 44.04 1djz s LEU 414 CO 0.34 -0.47 1.11 -0.90 -1.32 0.00 0.00 176.35 175.11 1djz n ASP 415 N 5.51 2.39 -3.56 3.68 5.75 -1.26 -4.65 116.55 124.41 1djz n ASP 415 Ca -0.08 -2.37 -0.01 0.00 -0.01 0.00 0.00 54.79 52.32 1djz n ASP 415 Cb 0.48 -0.19 -0.05 0.00 -1.03 0.00 0.00 41.12 40.33 1djz n ASP 415 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1djz s GLN 416 N -1.64 0.43 -0.00 0.11 0.74 -1.26 -4.83 119.66 113.21 1djz s GLN 416 Ca 0.15 0.91 -0.18 0.00 0.05 0.00 0.00 55.36 56.29 1djz s GLN 416 Cb 0.12 0.37 -0.09 0.00 1.10 0.00 0.00 33.01 34.51 1djz s GLN 416 CO 0.04 -0.12 0.49 -0.35 -0.55 0.00 0.00 175.29 174.80 1djz n PRO 417 N 4.59 0.00 -2.27 1.67 -0.04 -1.26 -4.88 135.00 132.81 1djz n PRO 417 Ca -0.14 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.94 1djz n PRO 417 Cb 0.54 -0.68 -0.01 0.00 -0.04 0.00 0.00 33.50 33.31 1djz n PRO 417 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1djz s LEU 418 N 0.02 4.11 -0.01 1.53 1.43 -1.26 -4.97 118.68 119.54 1djz s LEU 418 Ca 0.41 2.34 -0.30 0.00 -1.03 0.00 0.00 54.13 55.55 1djz s LEU 418 Cb -0.58 -4.11 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 1djz s LEU 418 CO 0.26 -0.79 1.00 -0.62 0.23 0.00 0.00 176.35 176.43 1djz s ASP 419 N -1.22 7.34 0.00 2.29 2.15 -1.26 -3.24 116.67 122.73 1djz s ASP 419 Ca 0.60 1.66 0.00 0.00 0.43 0.00 0.00 52.55 55.23 1djz s ASP 419 Cb -0.30 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.75 1djz s ASP 419 CO 0.37 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 1djz n GLY 420 N 2.95 3.00 3.60 2.66 0.00 -1.26 -5.05 105.19 111.09 1djz n GLY 420 Ca 0.07 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1djz n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1djz s VAL 421 N -0.30 4.05 0.00 1.61 1.01 -1.20 -4.80 120.40 120.78 1djz s VAL 421 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1djz s VAL 421 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1djz s VAL 421 CO 0.00 -0.82 0.00 0.35 0.00 0.00 0.00 175.10 174.63 1djz n THR 422 N 6.88 0.00 0.70 3.92 -2.24 -1.26 -4.83 114.28 117.44 1djz n THR 422 Ca 0.15 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.00 1djz n THR 422 Cb 0.48 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1djz n THR 422 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1djz n THR 423 N -0.55 0.00 -3.79 4.28 -2.24 -1.26 -5.04 114.28 105.68 1djz n THR 423 Ca 0.00 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 1djz n THR 423 Cb 0.03 1.11 0.01 0.00 -2.10 0.00 0.00 70.33 69.38 1djz n THR 423 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1djz n SER 424 N -0.61 -1.68 -4.83 3.42 7.64 -1.26 -4.95 113.62 111.35 1djz n SER 424 Ca 0.05 -2.45 -0.32 0.00 1.01 0.00 0.00 58.87 57.16 1djz n SER 424 Cb 0.29 2.88 0.00 0.00 -1.01 0.00 0.00 64.21 66.37 1djz n SER 424 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1djz s LEU 425 N 0.00 3.43 0.92 -3.43 1.43 -1.26 -4.93 118.68 114.84 1djz s LEU 425 Ca 0.18 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 1djz s LEU 425 Cb -0.03 -4.51 0.14 0.00 0.03 0.00 0.00 46.19 41.83 1djz s LEU 425 CO 0.13 -0.95 1.09 -2.16 0.23 0.00 0.00 176.35 174.69 1djz s PRO 426 N -4.45 1.06 0.33 1.29 0.04 -1.26 -4.24 135.00 127.76 1djz s PRO 426 Ca 0.59 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1djz s PRO 426 Cb -0.13 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1djz s PRO 426 CO 0.41 -2.42 0.49 -1.54 0.04 0.00 0.00 177.00 173.98 1djz s SER 427 N -3.17 6.15 0.44 6.66 1.04 -1.23 0.13 113.70 123.72 1djz s SER 427 Ca 0.64 0.15 0.13 0.00 0.48 0.00 0.00 55.95 57.36 1djz s SER 427 Cb -0.20 -1.71 1.03 0.00 0.10 0.00 0.00 66.02 65.24 1djz s SER 427 CO 0.58 -0.32 2.00 -0.65 0.98 0.00 0.00 173.24 175.83 1djz h PRO 428 N 0.86 0.38 -0.08 4.02 0.11 -1.68 -1.72 132.00 133.90 1djz h PRO 428 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1djz h PRO 428 Cb 1.24 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1djz h PRO 428 CO 0.59 0.25 0.02 0.93 -0.21 0.00 0.00 178.00 179.58 1djz h GLU 429 N 0.39 0.12 -0.89 1.05 4.39 -1.63 -1.48 114.58 116.53 1djz h GLU 429 Ca 0.24 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.95 1djz h GLU 429 Cb 0.43 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 1djz h GLU 429 CO -0.06 0.30 0.58 1.96 -1.16 0.00 0.00 179.01 180.63 1djz h GLN 430 N -0.08 1.05 -0.07 2.33 4.20 -1.62 -1.95 115.11 118.97 1djz h GLN 430 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1djz h GLN 430 Cb 0.23 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1djz h GLN 430 CO -0.00 0.69 0.00 1.28 -0.67 0.00 0.00 178.83 180.13 1djz n LEU 431 N -4.46 1.29 -4.62 1.46 4.77 -0.80 -4.97 117.00 109.67 1djz n LEU 431 Ca 0.12 -0.48 -0.51 0.00 -0.03 0.00 0.00 56.01 55.11 1djz n LEU 431 Cb 0.13 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1djz n LEU 431 CO 0.34 0.24 1.03 1.17 -1.33 0.00 0.00 177.39 178.85 1djz n LYS 432 N 0.03 1.38 -0.13 3.23 4.81 -0.57 -0.86 118.16 126.05 1djz n LYS 432 Ca 0.18 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1djz n LYS 432 Cb 0.30 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1djz n LYS 432 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1djz n GLY 433 N 2.97 2.14 3.95 3.14 0.00 0.09 -4.91 105.19 112.57 1djz n GLY 433 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1djz n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djz s LYS 434 N -0.21 2.89 -0.12 1.61 -0.14 -0.04 -4.76 119.74 118.96 1djz s LYS 434 Ca 0.00 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 54.09 1djz s LYS 434 Cb 0.00 -2.51 0.02 0.00 -1.68 0.00 0.00 37.83 33.66 1djz s LYS 434 CO 0.00 -0.45 -0.11 0.42 -0.76 0.00 0.00 175.35 174.45 1djz s ILE 435 N -2.66 1.27 0.20 2.17 1.01 0.14 -2.65 121.20 120.68 1djz s ILE 435 Ca 0.51 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.78 1djz s ILE 435 Cb -0.10 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1djz s ILE 435 CO 0.39 0.41 0.05 -1.48 0.00 0.00 0.00 174.94 174.30 1djz s LEU 436 N 1.50 3.44 0.00 2.97 2.34 -0.27 -1.86 118.68 126.80 1djz s LEU 436 Ca 0.03 -0.38 -0.03 0.00 0.06 0.00 0.00 54.13 53.81 1djz s LEU 436 Cb -0.13 -2.05 -0.04 0.00 -0.56 0.00 0.00 46.19 43.41 1djz s LEU 436 CO -0.08 0.05 0.20 -0.76 -1.06 0.00 0.00 176.35 174.70 1djz s LEU 437 N -3.23 4.37 -0.08 1.48 1.43 -1.26 -0.25 118.68 121.14 1djz s LEU 437 Ca 0.29 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1djz s LEU 437 Cb -0.09 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.47 1djz s LEU 437 CO 0.20 0.25 -0.17 -0.75 0.23 0.00 0.00 176.35 176.11 1djz s LYS 438 N -1.99 2.21 0.00 1.70 2.20 0.13 -4.18 119.74 119.80 1djz s LYS 438 Ca 0.28 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1djz s LYS 438 Cb -0.13 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 1djz s LYS 438 CO 0.19 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.69 1djz n GLY 439 N 3.67 -1.24 3.81 5.54 0.00 -0.77 -1.01 105.19 115.18 1djz n GLY 439 Ca -0.21 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 1djz n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djz s LYS 440 N -0.13 4.32 0.01 1.61 -0.14 -1.26 0.19 119.74 124.34 1djz s LYS 440 Ca 0.00 1.11 0.07 0.00 -1.36 0.00 0.00 55.97 55.79 1djz s LYS 440 Cb 0.00 -2.50 -0.02 0.00 -1.68 0.00 0.00 37.83 33.64 1djz s LYS 440 CO 0.00 0.14 -0.22 0.21 -0.76 0.00 0.00 175.35 174.73 1djz s LYS 441 N -2.65 1.65 0.31 1.68 2.20 -1.26 -4.74 119.74 116.93 1djz s LYS 441 Ca 0.55 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1djz s LYS 441 Cb -0.13 -1.66 -0.11 0.00 -1.51 0.00 0.00 37.83 34.42 1djz s LYS 441 CO 0.18 0.44 1.58 -0.51 -0.36 0.00 0.00 175.35 176.68 1djz s LEU 442 N -0.75 4.34 0.64 5.43 1.43 -1.26 -4.88 118.68 123.63 1djz s LEU 442 Ca 0.08 2.97 -0.17 0.00 -1.03 0.00 0.00 54.13 55.99 1djz s LEU 442 Cb -0.09 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 1djz s LEU 442 CO 0.00 -0.91 0.73 0.61 0.23 0.00 0.00 176.35 177.01 1djz n GLY 443 N 1.83 -0.99 0.00 -3.19 0.00 -1.26 -5.05 105.19 96.54 1djz n GLY 443 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1djz n GLY 443 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djz n GLY 444 N 1.50 3.56 2.55 -0.02 0.00 -1.26 -5.15 105.19 106.36 1djz n GLY 444 Ca 0.12 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1djz n GLY 444 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1djz n LEU 445 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.30 117.00 116.20 1djz n LEU 445 Ca 0.00 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1djz n LEU 445 Cb 0.00 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1djz n LEU 445 CO 0.00 -0.51 0.00 0.47 -1.33 0.00 0.00 177.39 176.02 1djz n ASP 484 N 2.79 0.00 -0.35 -1.43 8.00 -1.26 -5.36 116.55 118.93 1djz n ASP 484 Ca 0.00 0.00 0.27 0.00 0.71 0.00 0.00 54.79 55.77 1djz n ASP 484 Cb 0.00 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.62 1djz n ASP 484 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1djz h LYS 485 N 0.00 0.27 -0.17 -1.24 2.10 -2.02 1.90 116.57 117.40 1djz h LYS 485 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1djz h LYS 485 Cb 0.00 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1djz h LYS 485 CO 0.00 0.18 0.00 1.28 -2.00 0.00 0.00 179.45 178.91 1djz n LEU 486 N -4.93 0.76 0.00 7.07 4.32 -1.26 -3.82 117.00 119.13 1djz n LEU 486 Ca 0.32 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 1djz n LEU 486 Cb 1.07 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.76 1djz n LEU 486 CO 0.13 0.18 -0.28 0.29 -1.22 0.00 0.00 177.39 176.50 1djz n LYS 487 N -0.11 1.03 -4.06 3.23 5.02 0.61 -4.99 118.16 118.90 1djz n LYS 487 Ca 0.04 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.08 1djz n LYS 487 Cb 0.13 -0.78 -0.17 0.00 -0.02 0.00 0.00 35.03 34.19 1djz n LYS 487 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1djz s LEU 488 N -3.45 1.24 0.31 -0.35 0.20 0.62 -4.77 118.68 112.47 1djz s LEU 488 Ca 0.00 -0.27 -0.28 0.00 0.69 0.00 0.00 54.13 54.28 1djz s LEU 488 Cb 0.00 -0.77 -0.09 0.00 -0.43 0.00 0.00 46.19 44.90 1djz s LEU 488 CO 0.00 -0.09 1.02 0.68 -0.29 0.00 0.00 176.35 177.68 1djz s VAL 489 N 1.44 3.80 0.36 1.68 -7.23 -1.26 -4.58 120.40 114.60 1djz s VAL 489 Ca -0.01 1.64 0.04 0.00 -1.81 0.00 0.00 61.98 61.84 1djz s VAL 489 Cb -0.13 -3.98 0.22 0.00 0.56 0.00 0.00 36.38 33.05 1djz s VAL 489 CO -0.05 0.27 1.97 -0.65 -0.31 0.00 0.00 175.10 176.33 1djz h PRO 490 N 3.46 0.66 -0.72 4.82 0.11 -1.97 -1.40 132.00 136.96 1djz h PRO 490 Ca -0.47 -0.08 0.16 0.00 0.11 0.00 0.00 66.00 65.72 1djz h PRO 490 Cb 1.21 -0.13 -0.13 0.00 0.11 0.00 0.00 31.00 32.06 1djz h PRO 490 CO 0.66 0.52 -0.05 0.93 -0.21 0.00 0.00 178.00 179.84 1djz h GLU 491 N 0.66 0.07 0.08 1.05 3.07 -1.97 0.53 114.58 118.08 1djz h GLU 491 Ca 0.17 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1djz h GLU 491 Cb 0.08 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1djz h GLU 491 CO -0.02 0.05 -0.04 -0.07 -1.40 0.00 0.00 179.01 177.53 1djz h LEU 492 N 0.07 -0.09 -1.86 1.33 3.38 -1.79 -3.34 115.31 113.01 1djz h LEU 492 Ca 0.38 -0.29 0.24 0.00 0.09 0.00 0.00 57.88 58.29 1djz h LEU 492 Cb 0.63 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1djz h LEU 492 CO -0.66 0.53 0.62 -1.28 0.09 0.00 0.00 178.44 177.73 1djz h SER 493 N -0.99 0.11 0.38 -0.43 0.87 -0.90 0.14 113.55 112.72 1djz h SER 493 Ca -0.01 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1djz h SER 493 Cb 0.38 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1djz h SER 493 CO 0.02 0.04 0.00 0.47 -0.53 0.00 0.00 176.83 176.83 1djz n ASP 494 N -4.34 0.00 -0.02 6.23 8.00 0.18 -2.68 116.55 123.92 1djz n ASP 494 Ca 0.18 -0.05 0.10 0.00 0.71 0.00 0.00 54.79 55.73 1djz n ASP 494 Cb 0.87 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 41.62 1djz n ASP 494 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1djz n MET 495 N -1.27 0.06 -2.78 -1.24 2.81 0.48 -4.81 117.12 110.37 1djz n MET 495 Ca 0.10 -0.05 -0.43 0.00 -1.81 0.00 0.00 57.70 55.52 1djz n MET 495 Cb 0.16 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.14 1djz n MET 495 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1djz s ILE 496 N -2.97 4.35 -0.06 2.02 -1.09 -1.09 -4.51 121.20 117.85 1djz s ILE 496 Ca 0.09 0.57 -0.06 0.00 -2.23 0.00 0.00 60.65 59.02 1djz s ILE 496 Cb 0.16 -4.54 -0.02 0.00 -1.58 0.00 0.00 42.46 36.49 1djz s ILE 496 CO 0.84 -1.06 -0.11 -0.38 -1.23 0.00 0.00 174.94 173.00 1djz n ILE 497 N 6.37 0.49 1.01 2.92 -0.00 -1.26 -4.82 119.36 124.07 1djz n ILE 497 Ca 0.05 0.38 0.11 0.00 -0.00 0.00 0.00 62.75 63.29 1djz n ILE 497 Cb 0.48 -1.78 0.01 0.00 -0.00 0.00 0.00 39.64 38.35 1djz n ILE 497 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1djz n TYR 498 N -3.14 0.00 -3.58 1.39 4.01 -1.26 -4.72 117.16 109.85 1djz n TYR 498 Ca -0.05 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.42 1djz n TYR 498 Cb 0.17 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 1djz n TYR 498 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1djz s LYS 500 N -1.43 4.21 0.34 0.00 2.20 -0.58 -1.85 119.74 122.63 1djz s LYS 500 Ca 0.32 0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 56.21 1djz s LYS 500 Cb 0.05 -3.57 -0.10 0.00 -1.51 0.00 0.00 37.83 32.70 1djz s LYS 500 CO -0.12 -0.20 1.36 -1.12 -0.36 0.00 0.00 175.35 174.91 1djz s SER 501 N 1.17 6.64 0.04 1.43 0.01 0.51 -0.52 113.70 122.98 1djz s SER 501 Ca 0.28 2.80 -0.10 0.00 1.31 0.00 0.00 55.95 60.23 1djz s SER 501 Cb -0.16 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.42 1djz s SER 501 CO 0.10 -0.64 0.21 -0.69 0.41 0.00 0.00 173.24 172.64 1djz s VAL 502 N -1.11 0.10 0.21 3.43 1.01 -0.48 -4.70 120.40 118.86 1djz s VAL 502 Ca 0.50 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 1djz s VAL 502 Cb -0.42 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.96 1djz s VAL 502 CO 0.56 -0.47 0.78 -1.00 0.00 0.00 0.00 175.10 174.97 1djz s HIS 503 N -2.59 3.78 -0.08 5.22 3.76 -1.26 -4.30 115.29 119.82 1djz s HIS 503 Ca -0.05 1.57 -0.33 0.00 -0.15 0.00 0.00 55.06 56.10 1djz s HIS 503 Cb -0.01 -2.74 -0.11 0.00 1.11 0.00 0.00 32.58 30.83 1djz s HIS 503 CO -0.04 0.40 1.93 0.34 -0.85 0.00 0.00 174.74 176.52 1djz n PHE 504 N 1.10 2.33 0.00 1.40 7.35 -1.26 -4.88 117.46 123.51 1djz n PHE 504 Ca -0.03 -0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 1djz n PHE 504 Cb 0.50 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 37.63 1djz n PHE 504 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1djz n GLY 505 N 4.56 -0.14 0.00 7.13 0.00 -1.26 -5.09 105.19 110.39 1djz n GLY 505 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1djz n GLY 505 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djz n GLY 506 N 2.09 -0.70 3.62 -0.02 0.00 -1.26 -5.11 105.19 103.82 1djz n GLY 506 Ca 0.00 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1djz n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djz s PHE 507 N -2.00 3.25 -0.32 1.61 0.08 -1.26 -4.75 117.98 114.59 1djz s PHE 507 Ca 0.00 0.78 0.02 0.00 0.12 0.00 0.00 56.93 57.85 1djz s PHE 507 Cb 0.00 -2.98 0.44 0.00 -0.57 0.00 0.00 43.02 39.92 1djz s PHE 507 CO 0.00 -0.42 1.67 0.45 -0.10 0.00 0.00 175.22 176.81 1djz n SER 508 N 5.88 3.86 -0.23 1.36 2.88 -1.26 -4.31 113.62 121.81 1djz n SER 508 Ca 0.01 -3.12 -0.06 0.00 -1.33 0.00 0.00 58.87 54.36 1djz n SER 508 Cb 0.49 -0.76 0.04 0.00 -0.75 0.00 0.00 64.21 63.22 1djz n SER 508 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1djz h SER 509 N 0.78 0.79 -0.56 -3.46 0.87 -1.96 -2.77 113.55 107.24 1djz h SER 509 Ca 0.43 -0.10 0.18 0.00 -1.23 0.00 0.00 61.79 61.08 1djz h SER 509 Cb 2.14 -0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 63.80 1djz h SER 509 CO 0.79 0.66 0.11 -2.65 -0.53 0.00 0.00 176.83 175.21 1djz n PRO 510 N -4.55 -0.04 0.00 2.24 -0.02 -1.26 -4.42 135.00 126.95 1djz n PRO 510 Ca 0.05 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1djz n PRO 510 Cb 0.09 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1djz n PRO 510 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1djz n GLY 511 N -1.24 2.10 0.00 -1.23 0.00 -1.05 -5.05 105.19 98.72 1djz n GLY 511 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1djz n GLY 511 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1djz n THR 512 N 0.00 0.00 -3.74 2.61 -2.24 -1.21 -5.06 114.28 104.65 1djz n THR 512 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1djz n THR 512 Cb 0.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.13 1djz n THR 512 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1djz s SER 513 N 0.00 5.23 0.00 3.42 1.04 -1.26 -5.02 113.70 117.10 1djz s SER 513 Ca 0.00 -2.65 0.00 0.00 0.48 0.00 0.00 55.95 53.78 1djz s SER 513 Cb 0.00 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1djz s SER 513 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1djz n GLY 514 N 3.76 1.79 3.77 7.32 0.00 -1.26 -4.95 105.19 115.62 1djz n GLY 514 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1djz n GLY 514 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1djz s GLN 515 N 3.52 4.56 0.54 1.61 -0.21 -1.26 -5.00 119.66 123.41 1djz s GLN 515 Ca 0.00 1.54 -0.18 0.00 0.02 0.00 0.00 55.36 56.74 1djz s GLN 515 Cb 0.00 -2.95 -0.06 0.00 1.00 0.00 0.00 33.01 31.00 1djz s GLN 515 CO 0.00 0.21 1.06 0.00 -2.12 0.00 0.00 175.29 174.44 1djz s ALA 516 N -1.41 2.79 0.61 6.09 0.00 -1.26 -4.84 121.76 123.75 1djz s ALA 516 Ca 0.48 0.55 0.28 0.00 0.00 0.00 0.00 51.96 53.28 1djz s ALA 516 Cb -0.25 -3.26 1.49 0.00 0.00 0.00 0.00 23.12 21.10 1djz s ALA 516 CO 0.31 -0.57 1.89 0.27 0.00 0.00 0.00 175.76 177.65 1djz h PHE 517 N 1.06 0.00 -0.62 0.00 -5.15 -1.93 1.03 116.94 111.33 1djz h PHE 517 Ca -0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.29 1djz h PHE 517 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 1djz h PHE 517 CO 0.57 0.00 0.00 2.48 -2.00 0.00 0.00 178.31 179.36 1djz n TYR 518 N -3.49 0.89 -4.49 6.09 0.18 -1.26 -4.71 117.16 110.37 1djz n TYR 518 Ca 0.06 -0.43 -0.34 0.00 1.88 0.00 0.00 57.90 59.06 1djz n TYR 518 Cb 0.60 -0.03 -0.11 0.00 -0.38 0.00 0.00 39.34 39.43 1djz n TYR 518 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1djz s GLU 519 N -1.24 3.02 -0.09 -3.48 2.02 0.36 -1.53 118.70 117.75 1djz s GLU 519 Ca 0.42 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.96 1djz s GLU 519 Cb 0.23 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.73 1djz s GLU 519 CO 0.28 0.60 -0.20 1.41 0.02 0.00 0.00 175.26 177.36 1djz s MET 520 N -0.60 2.66 0.04 1.61 1.75 0.32 -4.52 119.30 120.56 1djz s MET 520 Ca 0.09 -0.74 0.01 0.00 -1.25 0.00 0.00 55.69 53.80 1djz s MET 520 Cb -0.12 -2.05 -0.04 0.00 2.84 0.00 0.00 34.83 35.46 1djz s MET 520 CO 0.02 0.12 0.10 0.00 -0.65 0.00 0.00 175.02 174.61 1djz s ALA 521 N 0.47 3.64 0.17 4.11 0.00 -1.24 -1.39 121.76 127.51 1djz s ALA 521 Ca -0.17 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1djz s ALA 521 Cb -0.17 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 1djz s ALA 521 CO 0.07 0.73 -0.04 -1.12 0.00 0.00 0.00 175.76 175.40 1djz s SER 522 N -2.11 4.58 -0.09 0.00 0.01 -1.26 -0.75 113.70 114.09 1djz s SER 522 Ca 0.27 -0.44 -0.07 0.00 1.31 0.00 0.00 55.95 57.01 1djz s SER 522 Cb -0.12 -0.91 0.02 0.00 0.21 0.00 0.00 66.02 65.22 1djz s SER 522 CO 0.19 0.11 0.22 -0.36 0.41 0.00 0.00 173.24 173.81 1djz s PHE 523 N -1.65 -0.25 0.62 2.43 0.40 0.13 -4.77 117.98 114.88 1djz s PHE 523 Ca 0.26 0.62 -0.13 0.00 -0.60 0.00 0.00 56.93 57.08 1djz s PHE 523 Cb -0.09 0.08 -0.03 0.00 0.51 0.00 0.00 43.02 43.48 1djz s PHE 523 CO 0.17 -0.13 1.04 -1.54 0.70 0.00 0.00 175.22 175.45 1djz s SER 524 N 0.27 5.95 0.12 1.36 1.04 -1.26 -1.38 113.70 119.80 1djz s SER 524 Ca -0.01 1.59 -0.21 0.00 0.48 0.00 0.00 55.95 57.80 1djz s SER 524 Cb -0.03 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 1djz s SER 524 CO -0.01 -1.06 1.12 1.21 0.98 0.00 0.00 173.24 175.48 1djz n GLU 525 N -2.51 -0.29 0.12 4.02 2.13 0.61 -0.99 120.64 123.72 1djz n GLU 525 Ca 0.07 1.10 -0.13 0.00 0.66 0.00 0.00 57.16 58.86 1djz n GLU 525 Cb 0.54 -1.61 -0.06 0.00 0.27 0.00 0.00 31.44 30.57 1djz n GLU 525 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1djz h SER 526 N 0.00 -0.74 -0.27 4.31 0.02 -1.92 0.05 113.55 115.01 1djz h SER 526 Ca 0.14 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1djz h SER 526 Cb 0.32 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1djz h SER 526 CO -0.69 -0.35 0.17 -0.09 -1.14 0.00 0.00 176.83 174.73 1djz h ARG 527 N -0.47 0.37 -0.45 3.45 2.43 -1.71 -0.30 114.38 117.69 1djz h ARG 527 Ca 0.03 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 1djz h ARG 527 Cb 0.50 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 1djz h ARG 527 CO -0.14 0.28 -0.14 0.00 -1.51 0.00 0.00 179.97 178.46 1djz h ALA 528 N 1.06 0.25 -0.78 2.80 0.00 -0.92 0.28 119.26 121.96 1djz h ALA 528 Ca 0.10 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1djz h ALA 528 Cb 0.01 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1djz h ALA 528 CO -0.02 -0.48 0.50 -0.07 0.00 0.00 0.00 179.25 179.18 1djz h LEU 529 N -0.04 0.83 -0.16 0.00 3.38 -0.31 0.20 115.31 119.21 1djz h LEU 529 Ca 0.22 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1djz h LEU 529 Cb 0.37 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1djz h LEU 529 CO -0.49 0.57 -0.01 -0.09 0.09 0.00 0.00 178.44 178.52 1djz h ARG 530 N 0.98 0.04 -0.25 1.13 2.43 0.85 0.28 114.38 119.84 1djz h ARG 530 Ca 0.31 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 1djz h ARG 530 Cb -0.01 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1djz h ARG 530 CO -0.10 0.03 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.25 1djz h LEU 531 N 0.04 0.37 -0.78 3.80 3.38 0.43 0.18 115.31 122.74 1djz h LEU 531 Ca 0.08 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1djz h LEU 531 Cb 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1djz h LEU 531 CO -0.14 0.48 -0.56 -0.07 0.09 0.00 0.00 178.44 178.24 1djz h LEU 532 N 0.38 0.16 -0.12 1.67 3.38 0.27 1.41 115.31 122.46 1djz h LEU 532 Ca 0.08 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1djz h LEU 532 Cb 0.36 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1djz h LEU 532 CO 0.02 0.69 -0.74 -0.61 0.09 0.00 0.00 178.44 177.88 1djz h GLN 533 N 0.11 0.71 0.01 1.13 5.75 0.75 -3.18 115.11 120.41 1djz h GLN 533 Ca -0.00 -0.61 -0.36 0.00 -0.15 0.00 0.00 58.65 57.53 1djz h GLN 533 Cb 1.02 0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.65 1djz h GLN 533 CO 0.08 1.22 -2.23 0.39 -2.65 0.00 0.00 178.83 175.63 1djz n GLU 534 N -4.01 0.68 -2.72 1.69 1.02 0.53 -4.67 120.64 113.17 1djz n GLU 534 Ca -0.08 0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 57.00 1djz n GLU 534 Cb 0.73 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 1djz n GLU 534 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1djz n SER 535 N -3.01 2.68 -0.02 1.62 7.64 0.48 -4.93 113.62 118.08 1djz n SER 535 Ca -0.33 -3.17 -0.10 0.00 1.01 0.00 0.00 58.87 56.28 1djz n SER 535 Cb 1.09 -0.53 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 1djz n SER 535 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1djz h GLY 536 N 2.87 -1.27 0.84 0.23 0.00 -1.51 0.17 103.07 104.40 1djz h GLY 536 Ca 0.08 0.70 0.11 0.00 0.00 0.00 0.00 47.33 48.21 1djz h GLY 536 CO 0.64 -0.33 0.49 -0.57 0.00 0.00 0.00 176.54 176.77 1djz h ASN 537 N -0.36 0.56 0.46 0.19 -0.73 -1.90 -0.35 115.58 113.45 1djz h ASN 537 Ca 0.03 0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.20 1djz h ASN 537 Cb 0.44 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 1djz h ASN 537 CO -0.31 0.32 -0.39 1.23 -0.37 0.00 0.00 177.43 177.91 1djz h GLY 538 N 0.61 -1.14 0.30 1.57 0.00 -1.37 -0.94 103.07 102.10 1djz h GLY 538 Ca 0.35 0.51 0.13 0.00 0.00 0.00 0.00 47.33 48.32 1djz h GLY 538 CO -0.13 -0.36 0.39 -2.75 0.00 0.00 0.00 176.54 173.69 1djz h PHE 539 N -0.83 0.68 0.87 5.60 3.04 0.29 0.29 116.94 126.88 1djz h PHE 539 Ca -0.06 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 1djz h PHE 539 Cb 0.71 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1djz h PHE 539 CO -0.17 0.18 -0.48 0.28 -2.02 0.00 0.00 178.31 176.10 1djz h VAL 540 N 0.59 0.03 -0.98 1.41 2.07 -0.80 0.42 116.25 119.00 1djz h VAL 540 Ca 0.42 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.04 1djz h VAL 540 Cb 0.55 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 1djz h VAL 540 CO -0.34 0.00 0.61 0.03 0.02 0.00 0.00 177.57 177.89 1djz h ARG 541 N -1.25 0.99 0.20 1.57 3.08 -0.82 0.37 114.38 118.53 1djz h ARG 541 Ca -0.12 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.88 1djz h ARG 541 Cb 0.98 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 1djz h ARG 541 CO 0.16 0.66 -0.27 1.25 -1.07 0.00 0.00 179.97 180.69 1djz h HIS 542 N 1.02 -0.73 0.00 3.04 2.76 -0.02 -2.21 115.15 119.01 1djz h HIS 542 Ca 0.46 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.64 1djz h HIS 542 Cb 0.37 0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1djz h HIS 542 CO -0.01 -0.39 0.00 0.09 -1.30 0.00 0.00 177.93 176.32 1djz n ASN 543 N -5.39 0.00 0.06 3.26 3.02 0.14 -2.50 115.26 113.85 1djz n ASN 543 Ca -0.08 0.35 -0.02 0.00 -0.03 0.00 0.00 54.58 54.81 1djz n ASN 543 Cb 0.30 -0.38 0.25 0.00 -0.61 0.00 0.00 39.78 39.34 1djz n ASN 543 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1djz h VAL 544 N 0.00 1.26 0.00 2.41 2.07 -0.70 -3.31 116.25 117.98 1djz h VAL 544 Ca 0.00 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1djz h VAL 544 Cb 0.04 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1djz h VAL 544 CO 0.00 0.38 0.00 -1.54 0.02 0.00 0.00 177.57 176.43 1djz n SER 545 N -4.13 0.45 -4.30 0.57 3.41 -1.14 -4.56 113.62 103.92 1djz n SER 545 Ca -0.01 -0.77 -0.26 0.00 -0.26 0.00 0.00 58.87 57.57 1djz n SER 545 Cb 0.39 0.25 -0.14 0.00 -0.26 0.00 0.00 64.21 64.45 1djz n SER 545 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djz s LEU 547 N -1.55 4.22 0.09 0.00 1.43 -1.26 -4.33 118.68 117.28 1djz s LEU 547 Ca 0.09 0.84 0.06 0.00 -1.03 0.00 0.00 54.13 54.09 1djz s LEU 547 Cb -0.10 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1djz s LEU 547 CO 0.03 -0.13 -0.07 -0.44 0.23 0.00 0.00 176.35 175.97 1djz s SER 548 N 0.92 4.59 -0.09 2.29 0.01 -1.26 -3.69 113.70 116.48 1djz s SER 548 Ca 0.28 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.27 1djz s SER 548 Cb -0.16 -0.96 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 1djz s SER 548 CO 0.11 0.19 -0.23 -0.60 0.41 0.00 0.00 173.24 173.12 1djz s ARG 549 N -2.17 2.90 0.09 12.44 3.52 0.07 -1.54 118.95 134.27 1djz s ARG 549 Ca 0.22 -0.87 0.08 0.00 -0.13 0.00 0.00 55.73 55.03 1djz s ARG 549 Cb -0.11 -2.28 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 1djz s ARG 549 CO 0.14 0.26 -0.14 0.42 -0.81 0.00 0.00 175.30 175.17 1djz s ILE 550 N 0.15 3.09 0.03 4.11 -1.09 -0.34 0.17 121.20 127.32 1djz s ILE 550 Ca -0.13 -1.31 -0.06 0.00 -2.23 0.00 0.00 60.65 56.92 1djz s ILE 550 Cb -0.16 -2.41 -0.01 0.00 -1.58 0.00 0.00 42.46 38.30 1djz s ILE 550 CO 0.07 0.16 0.10 -0.72 -1.23 0.00 0.00 174.94 173.32 1djz s TYR 551 N -1.13 0.17 0.38 3.97 -0.85 -0.48 -1.36 117.35 118.05 1djz s TYR 551 Ca 0.19 -0.43 -0.27 0.00 -0.52 0.00 0.00 57.07 56.04 1djz s TYR 551 Cb -0.11 -0.12 -0.11 0.00 0.38 0.00 0.00 41.96 42.00 1djz s TYR 551 CO 0.11 -0.34 1.27 -0.35 -1.52 0.00 0.00 175.55 174.71 1djz n PRO 552 N 0.93 2.02 -1.44 -3.49 -0.04 -1.26 -0.28 135.00 131.44 1djz n PRO 552 Ca -0.20 0.71 -0.36 0.00 -0.04 0.00 0.00 63.50 63.62 1djz n PRO 552 Cb 0.58 -2.34 0.09 0.00 -0.04 0.00 0.00 33.50 31.78 1djz n PRO 552 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1djz n ALA 553 N 0.07 0.24 -0.21 0.55 0.00 -1.26 -4.68 120.51 115.23 1djz n ALA 553 Ca 0.06 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.37 1djz n ALA 553 Cb 0.38 -2.20 0.12 0.00 0.00 0.00 0.00 19.45 17.75 1djz n ALA 553 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1djz h GLY 554 N -0.09 0.82 2.00 0.00 0.00 -2.02 -1.29 103.07 102.49 1djz h GLY 554 Ca -0.48 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1djz h GLY 554 CO 0.49 -0.12 0.00 -2.67 0.00 0.00 0.00 176.54 174.23 1djz n TRP 555 N -5.13 0.28 -0.89 5.60 4.27 -1.26 -3.79 117.44 116.52 1djz n TRP 555 Ca 0.10 0.13 -0.14 0.00 -3.89 0.00 0.00 57.50 53.70 1djz n TRP 555 Cb 0.35 -0.71 -0.13 0.00 -1.36 0.00 0.00 31.31 29.46 1djz n TRP 555 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1djz n ARG 556 N -1.78 1.93 0.00 -2.67 1.74 -0.49 -4.55 116.66 110.84 1djz n ARG 556 Ca 0.01 -1.02 0.02 0.00 -0.77 0.00 0.00 57.85 56.08 1djz n ARG 556 Cb 0.07 -2.04 0.08 0.00 -1.02 0.00 0.00 32.46 29.55 1djz n ARG 556 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1djz n THR 557 N 2.76 1.70 -0.28 0.55 -2.24 -1.25 -0.61 114.28 114.92 1djz n THR 557 Ca 0.41 0.43 0.09 0.00 -2.27 0.00 0.00 64.05 62.70 1djz n THR 557 Cb 0.69 -1.37 0.31 0.00 -2.10 0.00 0.00 70.33 67.87 1djz n THR 557 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1djz n ASP 558 N -1.48 4.10 -1.71 3.42 5.68 -1.26 -1.24 116.55 124.06 1djz n ASP 558 Ca 0.01 -2.33 -0.19 0.00 -0.50 0.00 0.00 54.79 51.78 1djz n ASP 558 Cb 0.04 -0.52 -0.06 0.00 -1.14 0.00 0.00 41.12 39.44 1djz n ASP 558 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1djz n SER 559 N 1.03 -5.42 -4.75 -1.12 7.64 0.22 -4.77 113.62 106.47 1djz n SER 559 Ca 0.22 0.33 -0.31 0.00 1.01 0.00 0.00 58.87 60.13 1djz n SER 559 Cb 0.76 -4.57 0.11 0.00 -1.01 0.00 0.00 64.21 59.49 1djz n SER 559 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1djz s SER 560 N -2.59 4.15 0.27 6.43 1.04 -1.24 -4.63 113.70 117.12 1djz s SER 560 Ca 0.00 1.83 0.11 0.00 0.48 0.00 0.00 55.95 58.38 1djz s SER 560 Cb 0.00 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 1djz s SER 560 CO 0.00 -2.26 -0.13 0.20 0.98 0.00 0.00 173.24 172.02 1djz s ASN 561 N -3.29 3.92 0.47 7.02 0.01 -1.26 -4.77 114.94 117.04 1djz s ASN 561 Ca 0.62 -0.88 0.07 0.00 -0.71 0.00 0.00 52.86 51.96 1djz s ASN 561 Cb -0.18 -0.49 0.01 0.00 0.41 0.00 0.00 41.25 41.00 1djz s ASN 561 CO 0.56 0.03 0.43 -0.72 -1.51 0.00 0.00 177.10 175.89 1djz s TYR 562 N -2.39 2.22 -0.04 2.20 1.13 -1.26 -4.94 117.35 114.26 1djz s TYR 562 Ca 0.30 -0.63 -0.27 0.00 -1.41 0.00 0.00 57.07 55.06 1djz s TYR 562 Cb -0.06 -2.09 -0.03 0.00 -1.10 0.00 0.00 41.96 38.68 1djz s TYR 562 CO 0.16 -0.34 0.87 0.45 -2.51 0.00 0.00 175.55 174.19 1djz s SER 563 N -4.23 7.20 0.17 -0.18 0.15 -1.26 -4.83 113.70 110.71 1djz s SER 563 Ca 0.45 1.45 -0.01 0.00 0.70 0.00 0.00 55.95 58.54 1djz s SER 563 Cb -0.03 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 1djz s SER 563 CO 0.27 -0.23 1.40 1.55 1.20 0.00 0.00 173.24 177.43 1djz h PRO 564 N 6.85 0.38 -0.87 5.44 0.13 -1.97 -3.27 132.00 138.68 1djz h PRO 564 Ca -0.39 -0.34 0.23 0.00 -0.87 0.00 0.00 66.00 64.63 1djz h PRO 564 Cb 1.20 0.08 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1djz h PRO 564 CO 0.77 0.99 0.24 0.28 -0.23 0.00 0.00 178.00 180.05 1djz h VAL 565 N 0.24 0.33 0.00 1.56 2.07 -1.97 0.53 116.25 119.01 1djz h VAL 565 Ca -0.04 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1djz h VAL 565 Cb 1.38 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1djz h VAL 565 CO 0.13 0.04 -0.11 1.05 0.02 0.00 0.00 177.57 178.71 1djz h GLU 566 N 0.22 0.00 0.15 1.57 4.11 -1.91 0.36 114.58 119.09 1djz h GLU 566 Ca 0.55 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.73 1djz h GLU 566 Cb 1.10 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.36 1djz h GLU 566 CO -0.64 0.11 -1.14 0.52 0.07 0.00 0.00 179.01 177.92 1djz h MET 567 N 0.00 0.32 -0.42 1.06 2.86 -0.30 -3.21 114.93 115.25 1djz h MET 567 Ca -0.00 -0.55 0.11 0.00 -2.06 0.00 0.00 59.70 57.19 1djz h MET 567 Cb 0.22 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1djz h MET 567 CO 0.01 1.26 0.29 -1.49 1.06 0.00 0.00 176.91 178.05 1djz h TRP 568 N -0.25 0.07 0.00 -0.22 6.55 -0.21 0.42 115.95 122.29 1djz h TRP 568 Ca -0.22 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.62 1djz h TRP 568 Cb 1.78 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 30.06 1djz h TRP 568 CO 0.16 0.03 0.00 0.09 -1.05 0.00 0.00 178.44 177.67 1djz n ASN 569 N -4.43 0.20 -0.79 -3.49 3.02 0.07 -1.21 115.26 108.63 1djz n ASN 569 Ca 0.07 0.56 0.07 0.00 -0.03 0.00 0.00 54.58 55.24 1djz n ASN 569 Cb 0.45 -0.60 0.19 0.00 -0.61 0.00 0.00 39.78 39.22 1djz n ASN 569 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djz n GLY 570 N -0.23 2.85 2.11 7.41 0.00 0.14 -4.54 105.19 112.92 1djz n GLY 570 Ca 0.02 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1djz n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djz n GLY 571 N 0.59 0.72 3.71 -0.02 0.00 -0.35 -3.71 105.19 106.13 1djz n GLY 571 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1djz n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djz n GLN 573 N 4.42 0.67 -3.09 0.00 0.00 -1.25 -4.31 117.38 113.82 1djz n GLN 573 Ca 0.12 0.06 -0.42 0.00 0.00 0.00 0.00 57.00 56.76 1djz n GLN 573 Cb 0.43 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 29.14 1djz n GLN 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1djz n ILE 574 N -2.97 5.03 -2.80 -0.39 5.41 -0.59 -1.30 119.36 121.76 1djz n ILE 574 Ca -0.38 -5.80 -0.43 0.00 1.00 0.00 0.00 62.75 57.14 1djz n ILE 574 Cb 1.09 -2.17 -0.03 0.00 -0.71 0.00 0.00 39.64 37.81 1djz n ILE 574 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1djz s VAL 575 N -2.50 4.27 0.03 1.39 1.01 -1.26 -1.20 120.40 122.13 1djz s VAL 575 Ca 0.31 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1djz s VAL 575 Cb 0.03 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.60 1djz s VAL 575 CO 0.07 -1.57 1.00 0.00 0.00 0.00 0.00 175.10 174.60 1djz s ALA 576 N 4.16 3.20 0.15 5.51 0.00 -0.46 -4.26 121.76 130.07 1djz s ALA 576 Ca 0.28 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1djz s ALA 576 Cb -0.12 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1djz s ALA 576 CO 0.06 -0.21 -0.10 -0.51 0.00 0.00 0.00 175.76 175.00 1djz s LEU 577 N 0.79 2.51 -0.90 0.00 1.43 -1.02 -4.13 118.68 117.37 1djz s LEU 577 Ca 0.52 -1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.36 1djz s LEU 577 Cb -0.22 -0.35 0.06 0.00 0.03 0.00 0.00 46.19 45.71 1djz s LEU 577 CO 0.29 -0.34 1.29 0.20 0.23 0.00 0.00 176.35 178.02 1djz s ASN 578 N -3.18 6.41 0.00 2.29 0.01 -1.26 0.29 114.94 119.50 1djz s ASN 578 Ca 0.18 -1.29 0.00 0.00 -0.71 0.00 0.00 52.86 51.03 1djz s ASN 578 Cb 0.03 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.17 1djz s ASN 578 CO 0.01 -1.49 0.62 0.49 -1.51 0.00 0.00 177.10 175.23 1djz n PHE 579 N 8.39 0.00 0.98 2.20 3.01 -1.26 -0.98 117.46 129.80 1djz n PHE 579 Ca 0.20 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.77 1djz n PHE 579 Cb 0.49 -0.12 -0.02 0.00 -0.01 0.00 0.00 39.48 39.82 1djz n PHE 579 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1djz n GLN 580 N -1.12 1.08 -3.56 -1.08 0.00 -1.26 -4.87 117.38 106.56 1djz n GLN 580 Ca 0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 57.00 55.75 1djz n GLN 580 Cb 0.00 -1.47 -0.09 0.00 0.00 0.00 0.00 30.24 28.68 1djz n GLN 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1djz s THR 581 N -2.52 4.38 0.38 -0.39 2.01 -0.15 -5.01 115.64 114.35 1djz s THR 581 Ca 0.16 -1.41 -0.27 0.00 0.31 0.00 0.00 61.69 60.49 1djz s THR 581 Cb 0.17 -3.70 -0.11 0.00 0.01 0.00 0.00 72.50 68.87 1djz s THR 581 CO 0.61 -0.56 1.38 -2.65 -0.69 0.00 0.00 174.62 172.71 1djz n PRO 582 N 4.96 2.34 0.00 4.92 -0.02 -1.26 -4.54 135.00 141.40 1djz n PRO 582 Ca -0.10 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1djz n PRO 582 Cb 0.43 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1djz n PRO 582 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1djz n GLY 583 N 0.62 1.89 0.45 -1.23 0.00 -1.26 -4.95 105.19 100.71 1djz n GLY 583 Ca 0.04 -0.96 0.27 0.00 0.00 0.00 0.00 46.02 45.36 1djz n GLY 583 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djz h PRO 584 N 0.00 0.22 -0.37 1.61 0.11 -1.98 -0.22 132.00 131.37 1djz h PRO 584 Ca 0.00 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 1djz h PRO 584 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1djz h PRO 584 CO 0.00 0.15 0.01 0.93 -0.21 0.00 0.00 178.00 178.88 1djz h GLU 585 N 0.23 0.65 0.00 1.05 3.07 -1.91 0.35 114.58 118.03 1djz h GLU 585 Ca 0.57 -0.20 -0.10 0.00 -0.50 0.00 0.00 59.36 59.12 1djz h GLU 585 Cb 1.76 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.59 1djz h GLU 585 CO -0.18 0.75 -0.49 0.52 -1.40 0.00 0.00 179.01 178.22 1djz h MET 586 N 0.48 0.00 0.11 2.33 2.86 -1.52 -1.92 114.93 117.26 1djz h MET 586 Ca 0.11 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1djz h MET 586 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1djz h MET 586 CO 0.02 0.49 -0.05 -0.44 1.06 0.00 0.00 176.91 177.98 1djz h ASP 587 N 0.00 -0.13 -0.87 1.22 3.32 -0.12 0.19 116.42 120.04 1djz h ASP 587 Ca -0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1djz h ASP 587 Cb 1.10 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 1djz h ASP 587 CO 0.06 0.09 0.50 0.58 -1.72 0.00 0.00 179.24 178.75 1djz h VAL 588 N -0.34 1.25 0.54 -1.35 2.07 -0.25 -1.24 116.25 116.93 1djz h VAL 588 Ca -0.02 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1djz h VAL 588 Cb 0.28 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1djz h VAL 588 CO 0.03 0.27 -0.26 0.22 0.02 0.00 0.00 177.57 177.85 1djz h TYR 589 N 1.21 -0.67 0.00 1.57 3.20 -0.87 0.03 116.97 121.43 1djz h TYR 589 Ca 0.31 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1djz h TYR 589 Cb -0.00 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1djz h TYR 589 CO 0.00 -0.42 0.00 -0.07 -1.64 0.00 0.00 178.16 176.04 1djz h LEU 590 N -0.72 0.00 0.21 2.82 3.38 -0.61 -1.36 115.31 119.03 1djz h LEU 590 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1djz h LEU 590 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1djz h LEU 590 CO 0.12 0.00 -0.10 1.23 0.09 0.00 0.00 178.44 179.78 1djz h GLY 591 N 2.26 -0.29 0.03 0.83 0.00 -0.23 -1.50 103.07 104.17 1djz h GLY 591 Ca 0.00 0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.55 1djz h GLY 591 CO 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 176.54 176.39 1djz n PHE 593 N -5.29 0.00 0.14 0.00 3.72 -0.54 -2.42 117.46 113.07 1djz n PHE 593 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1djz n PHE 593 Cb 0.30 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.00 1djz n PHE 593 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1djz h GLN 594 N 0.00 0.00 -6.75 -1.08 5.75 0.14 -3.26 115.11 109.92 1djz h GLN 594 Ca 0.00 0.00 -0.49 0.00 -0.15 0.00 0.00 58.65 58.01 1djz h GLN 594 Cb 0.00 0.00 0.22 0.00 1.07 0.00 0.00 27.48 28.77 1djz h GLN 594 CO 0.00 0.59 -0.80 -3.47 -2.65 0.00 0.00 178.83 172.50 1djz n ASP 595 N -3.58 -2.20 -3.45 -0.69 -0.08 -1.02 -1.65 116.55 103.89 1djz n ASP 595 Ca -0.00 0.10 -0.25 0.00 -1.51 0.00 0.00 54.79 53.13 1djz n ASP 595 Cb 0.65 -1.09 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1djz n ASP 595 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1djz n ASN 596 N -1.61 -4.02 -1.10 1.67 5.15 -0.52 -0.16 115.26 114.67 1djz n ASN 596 Ca 0.04 -0.46 -0.14 0.00 -0.60 0.00 0.00 54.58 53.41 1djz n ASN 596 Cb 0.58 -3.30 -0.06 0.00 -0.53 0.00 0.00 39.78 36.47 1djz n ASN 596 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1djz n GLY 597 N -1.27 1.48 3.95 8.20 0.00 -0.94 -2.64 105.19 113.97 1djz n GLY 597 Ca -0.01 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1djz n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djz n GLY 598 N -1.12 -0.44 0.20 -0.02 0.00 0.78 -4.72 105.19 99.88 1djz n GLY 598 Ca -0.14 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1djz n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djz n GLY 600 N 0.88 1.65 3.25 0.00 0.00 -1.26 -4.53 105.19 105.17 1djz n GLY 600 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1djz n GLY 600 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djz s TYR 601 N -2.25 2.39 -0.07 1.61 1.51 -1.26 -2.14 117.35 117.14 1djz s TYR 601 Ca 0.00 -0.74 -0.00 0.00 -1.01 0.00 0.00 57.07 55.32 1djz s TYR 601 Cb 0.00 -1.57 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1djz s TYR 601 CO 0.00 -0.23 -0.04 0.08 -1.11 0.00 0.00 175.55 174.25 1djz s VAL 602 N -0.09 0.61 0.15 0.71 1.01 -0.69 -4.89 120.40 117.20 1djz s VAL 602 Ca -0.05 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.53 1djz s VAL 602 Cb -0.14 -0.68 -0.11 0.00 0.00 0.00 0.00 36.38 35.45 1djz s VAL 602 CO 0.04 0.28 1.77 -0.22 0.00 0.00 0.00 175.10 176.97 1djz s LEU 603 N 1.46 4.39 0.73 3.92 2.96 -1.26 0.47 118.68 131.35 1djz s LEU 603 Ca -0.02 2.76 -0.12 0.00 -0.22 0.00 0.00 54.13 56.53 1djz s LEU 603 Cb -0.13 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.02 1djz s LEU 603 CO -0.03 -0.98 1.11 -0.54 -1.32 0.00 0.00 176.35 174.58 1djz s LYS 604 N 2.19 2.40 0.81 1.98 1.02 0.04 -4.87 119.74 123.32 1djz s LYS 604 Ca 0.78 1.29 -0.13 0.00 0.02 0.00 0.00 55.97 57.94 1djz s LYS 604 Cb -0.46 -1.91 0.09 0.00 -0.52 0.00 0.00 37.83 35.02 1djz s LYS 604 CO 0.35 -1.55 1.17 -2.14 -0.92 0.00 0.00 175.35 172.26 1djz s PRO 605 N -4.55 1.67 0.11 -1.68 0.02 -1.26 -4.85 135.00 124.47 1djz s PRO 605 Ca 0.64 1.63 -0.21 0.00 0.02 0.00 0.00 61.00 63.08 1djz s PRO 605 Cb -0.19 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 1djz s PRO 605 CO 0.50 -2.16 1.73 0.00 -0.33 0.00 0.00 177.00 176.74 1djz h ALA 606 N -1.04 0.11 0.00 -1.55 0.00 -1.97 -1.09 119.26 113.73 1djz h ALA 606 Ca -0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1djz h ALA 606 Cb 1.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1djz h ALA 606 CO 0.46 -0.46 0.06 1.97 0.00 0.00 0.00 179.25 181.29 1djz n PHE 607 N -5.12 0.03 0.54 0.00 1.16 -1.26 0.10 117.46 112.92 1djz n PHE 607 Ca -0.04 0.02 0.11 0.00 -1.87 0.00 0.00 57.45 55.66 1djz n PHE 607 Cb 0.08 -0.47 0.15 0.00 -1.61 0.00 0.00 39.48 37.63 1djz n PHE 607 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1djz n LEU 608 N -1.48 3.07 -0.32 5.98 4.77 -0.42 -3.83 117.00 124.77 1djz n LEU 608 Ca -0.00 -1.28 0.04 0.00 -0.03 0.00 0.00 56.01 54.74 1djz n LEU 608 Cb 0.06 -0.13 0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1djz n LEU 608 CO 0.00 0.61 0.58 0.54 -1.33 0.00 0.00 177.39 177.79 1djz n ARG 609 N 1.28 2.67 -3.78 3.23 1.74 0.28 -4.50 116.66 117.58 1djz n ARG 609 Ca 0.15 -2.02 -0.37 0.00 -0.77 0.00 0.00 57.85 54.85 1djz n ARG 609 Cb 0.55 -1.27 -0.12 0.00 -1.02 0.00 0.00 32.46 30.60 1djz n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1djz s ASP 610 N -1.44 5.23 0.38 0.55 2.15 -1.01 -4.93 116.67 117.60 1djz s ASP 610 Ca 0.18 -1.70 0.07 0.00 0.43 0.00 0.00 52.55 51.53 1djz s ASP 610 Cb 0.13 -1.83 0.38 0.00 -0.30 0.00 0.00 42.92 41.31 1djz s ASP 610 CO 0.06 -0.46 1.06 1.55 -0.17 0.00 0.00 175.17 177.22 1djz h PRO 611 N 8.10 0.00 -0.13 4.34 0.14 -1.91 1.60 132.00 144.14 1djz h PRO 611 Ca -0.17 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.97 1djz h PRO 611 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.20 1djz h PRO 611 CO 0.66 0.00 0.00 0.09 0.14 0.00 0.00 178.00 178.89 1djz n ASN 612 N -2.01 3.12 -4.74 1.44 3.02 -1.26 -4.88 115.26 109.96 1djz n ASN 612 Ca -0.00 -3.04 -0.37 0.00 -0.03 0.00 0.00 54.58 51.14 1djz n ASN 612 Cb 0.58 -0.48 0.06 0.00 -0.61 0.00 0.00 39.78 39.33 1djz n ASN 612 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1djz s THR 613 N -2.83 2.20 -2.36 3.41 2.01 0.55 -4.88 115.64 113.73 1djz s THR 613 Ca 0.37 0.12 0.21 0.00 0.31 0.00 0.00 61.69 62.70 1djz s THR 613 Cb 0.31 -3.04 0.28 0.00 0.01 0.00 0.00 72.50 70.07 1djz s THR 613 CO 0.06 -0.03 1.25 0.35 -0.69 0.00 0.00 174.62 175.57 1djz n THR 614 N -1.85 0.29 -1.56 -0.82 -2.24 -1.26 -4.91 114.28 101.94 1djz n THR 614 Ca 0.15 -0.65 -0.39 0.00 -2.27 0.00 0.00 64.05 60.90 1djz n THR 614 Cb 0.49 1.16 0.04 0.00 -2.10 0.00 0.00 70.33 69.92 1djz n THR 614 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1djz n PHE 615 N 1.24 0.31 -3.11 4.78 7.35 -1.26 -4.94 117.46 121.84 1djz n PHE 615 Ca 0.15 0.47 0.04 0.00 -0.76 0.00 0.00 57.45 57.35 1djz n PHE 615 Cb 0.54 -2.08 -0.00 0.00 0.35 0.00 0.00 39.48 38.28 1djz n PHE 615 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1djz s ASN 616 N -1.12 -0.84 0.65 -2.13 3.84 -1.26 -4.15 114.94 109.92 1djz s ASN 616 Ca 0.71 0.00 0.18 0.00 0.21 0.00 0.00 52.86 53.96 1djz s ASN 616 Cb -0.46 1.44 0.88 0.00 -0.55 0.00 0.00 41.25 42.56 1djz s ASN 616 CO 0.52 -0.14 1.47 0.77 -2.79 0.00 0.00 177.10 176.93 1djz h SER 617 N 7.24 0.00 0.03 -4.21 4.64 -1.95 0.66 113.55 119.96 1djz h SER 617 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1djz h SER 617 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1djz h SER 617 CO -0.01 0.00 -0.62 0.54 -0.87 0.00 0.00 176.83 175.87 1djz n ARG 618 N -2.89 0.76 -3.26 4.77 1.74 -1.26 -4.45 116.66 112.07 1djz n ARG 618 Ca 0.04 -0.61 -0.25 0.00 -0.77 0.00 0.00 57.85 56.26 1djz n ARG 618 Cb 0.82 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.70 1djz n ARG 618 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1djz n ALA 619 N -0.59 2.77 -1.99 7.54 0.00 0.23 -5.10 120.51 123.37 1djz n ALA 619 Ca 0.08 -3.64 -0.42 0.00 0.00 0.00 0.00 53.44 49.46 1djz n ALA 619 Cb 0.41 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 1djz n ALA 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djz s LEU 620 N -1.32 4.37 0.43 0.00 1.43 -1.18 -4.51 118.68 117.90 1djz s LEU 620 Ca 0.36 2.54 0.04 0.00 -1.03 0.00 0.00 54.13 56.03 1djz s LEU 620 Cb 0.15 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 1djz s LEU 620 CO -0.10 -0.75 0.12 0.42 0.23 0.00 0.00 176.35 176.27 1djz s THR 621 N 0.92 0.63 0.30 5.49 -4.23 -1.26 -5.11 115.64 112.38 1djz s THR 621 Ca 0.67 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.89 1djz s THR 621 Cb -0.41 -2.30 -0.09 0.00 1.34 0.00 0.00 72.50 71.03 1djz s THR 621 CO 0.33 0.00 1.10 -1.58 -0.54 0.00 0.00 174.62 173.93 1djz s GLN 622 N -3.71 4.55 0.08 3.99 2.00 -1.26 -4.76 119.66 120.55 1djz s GLN 622 Ca 0.21 1.79 -0.24 0.00 -2.00 0.00 0.00 55.36 55.12 1djz s GLN 622 Cb 0.02 -3.09 0.08 0.00 0.80 0.00 0.00 33.01 30.82 1djz s GLN 622 CO 0.13 0.13 1.10 0.41 -0.50 0.00 0.00 175.29 176.56 1djz n GLY 623 N 1.05 0.44 0.24 2.59 0.00 -1.26 -4.99 105.19 103.26 1djz n GLY 623 Ca -0.00 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 45.01 1djz n GLY 623 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djz h PRO 624 N 0.00 0.00 0.00 1.61 0.14 -2.02 -2.53 132.00 129.20 1djz h PRO 624 Ca -0.23 0.00 -0.08 0.00 0.14 0.00 0.00 66.00 65.83 1djz h PRO 624 Cb 1.13 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.26 1djz h PRO 624 CO 0.32 0.16 -0.37 0.11 0.14 0.00 0.00 178.00 178.36 1djz h TRP 625 N 0.00 0.00 -2.64 1.56 0.09 -1.94 -3.40 115.95 109.62 1djz h TRP 625 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 58.89 58.44 1djz h TRP 625 Cb 0.32 0.00 -0.07 0.00 0.08 0.00 0.00 29.16 29.49 1djz h TRP 625 CO 0.00 0.37 1.07 -0.46 0.09 0.00 0.00 178.44 179.51 1djz s TRP 626 N -4.13 2.32 -0.45 0.12 -0.11 -0.95 -4.48 118.94 111.25 1djz s TRP 626 Ca -0.03 0.23 0.06 0.00 1.22 0.00 0.00 56.10 57.59 1djz s TRP 626 Cb 0.14 -4.52 0.22 0.00 -1.50 0.00 0.00 33.47 27.82 1djz s TRP 626 CO 0.72 -1.95 0.66 0.54 -4.62 0.00 0.00 176.95 172.30 1djz n ARG 627 N 8.98 0.62 -1.65 5.86 1.74 -0.55 -4.74 116.66 126.92 1djz n ARG 627 Ca 0.07 -2.47 -0.43 0.00 -0.77 0.00 0.00 57.85 54.26 1djz n ARG 627 Cb 0.49 -1.42 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 1djz n ARG 627 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1djz n PRO 628 N 1.99 1.79 -4.24 5.56 -0.02 -1.22 -4.58 135.00 134.28 1djz n PRO 628 Ca 0.18 0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1djz n PRO 628 Cb 0.56 -2.14 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 1djz n PRO 628 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1djz s GLU 629 N -1.78 1.08 -0.19 -0.52 0.41 -0.25 -4.68 118.70 112.77 1djz s GLU 629 Ca 0.57 -1.51 -0.03 0.00 -0.41 0.00 0.00 54.97 53.60 1djz s GLU 629 Cb -0.61 -0.31 -0.01 0.00 -1.78 0.00 0.00 34.13 31.41 1djz s GLU 629 CO 0.61 -0.09 -0.06 1.03 -0.49 0.00 0.00 175.26 176.25 1djz s ARG 630 N -3.88 3.42 -0.09 1.61 0.52 0.56 -1.14 118.95 119.96 1djz s ARG 630 Ca 0.22 -0.62 -0.00 0.00 -0.52 0.00 0.00 55.73 54.80 1djz s ARG 630 Cb 0.06 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 1djz s ARG 630 CO 0.03 -0.03 -0.06 -1.17 0.02 0.00 0.00 175.30 174.09 1djz s LEU 631 N 1.04 3.22 -0.08 2.53 2.96 0.10 -1.39 118.68 127.06 1djz s LEU 631 Ca 0.00 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1djz s LEU 631 Cb -0.15 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.84 1djz s LEU 631 CO -0.00 0.32 -0.11 -0.13 -1.32 0.00 0.00 176.35 175.11 1djz s ARG 632 N -0.58 1.65 -0.08 1.98 0.52 0.38 -0.83 118.95 121.99 1djz s ARG 632 Ca 0.09 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 54.96 1djz s ARG 632 Cb -0.12 -1.45 0.00 0.00 0.52 0.00 0.00 34.95 33.91 1djz s ARG 632 CO 0.02 -0.05 -0.19 0.08 0.02 0.00 0.00 175.30 175.18 1djz s VAL 633 N 0.94 1.63 -0.22 3.52 1.01 -0.41 -1.23 120.40 125.64 1djz s VAL 633 Ca -0.09 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 1djz s VAL 633 Cb -0.15 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1djz s VAL 633 CO 0.00 0.46 -0.12 -0.60 0.00 0.00 0.00 175.10 174.85 1djz s ARG 634 N 0.43 2.94 -0.41 2.72 3.52 -0.96 -0.58 118.95 126.61 1djz s ARG 634 Ca -0.15 -0.89 -0.23 0.00 -0.13 0.00 0.00 55.73 54.32 1djz s ARG 634 Cb -0.16 -2.81 0.02 0.00 -1.56 0.00 0.00 34.95 30.43 1djz s ARG 634 CO 0.06 -0.30 0.78 0.42 -0.81 0.00 0.00 175.30 175.45 1djz s ILE 635 N 1.32 4.69 -0.13 4.11 -1.09 0.52 -2.27 121.20 128.34 1djz s ILE 635 Ca 0.02 0.67 -0.11 0.00 -2.23 0.00 0.00 60.65 59.00 1djz s ILE 635 Cb -0.15 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 1djz s ILE 635 CO -0.08 -0.57 -0.21 -0.38 -1.23 0.00 0.00 174.94 172.47 1djz n ILE 636 N 5.96 1.21 -3.88 2.92 5.41 -0.57 -0.28 119.36 130.13 1djz n ILE 636 Ca 0.03 0.24 -0.09 0.00 1.00 0.00 0.00 62.75 63.92 1djz n ILE 636 Cb 0.48 -2.23 -0.05 0.00 -0.71 0.00 0.00 39.64 37.13 1djz n ILE 636 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1djz s SER 637 N -5.46 -0.10 0.14 4.38 1.04 -1.04 0.01 113.70 112.67 1djz s SER 637 Ca -0.17 -0.72 0.09 0.00 0.48 0.00 0.00 55.95 55.62 1djz s SER 637 Cb 0.02 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1djz s SER 637 CO 0.26 -1.00 -0.16 -0.83 0.98 0.00 0.00 173.24 172.49 1djz s GLY 638 N -2.94 1.71 -0.11 7.32 0.00 0.85 -0.16 107.32 113.99 1djz s GLY 638 Ca 0.15 -1.40 -0.00 0.00 0.00 0.00 0.00 44.72 43.46 1djz s GLY 638 CO 0.00 -1.40 -0.08 1.20 0.00 0.00 0.00 173.10 172.83 1djz s GLN 639 N -2.37 1.54 -1.51 2.90 1.11 -0.13 -3.16 119.66 118.05 1djz s GLN 639 Ca 0.20 -0.27 -0.08 0.00 0.01 0.00 0.00 55.36 55.22 1djz s GLN 639 Cb -0.10 -1.56 0.06 0.00 -1.01 0.00 0.00 33.01 30.40 1djz s GLN 639 CO 0.12 -0.23 0.67 1.04 0.01 0.00 0.00 175.29 176.89 1djz n GLN 640 N 4.81 -3.87 -1.68 2.91 6.02 -0.04 -2.40 117.38 123.13 1djz n GLN 640 Ca -0.14 0.46 -0.45 0.00 -0.01 0.00 0.00 57.00 56.86 1djz n GLN 640 Cb 0.50 -4.95 -0.04 0.00 1.02 0.00 0.00 30.24 26.77 1djz n GLN 640 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1djz n LEU 641 N -4.44 3.71 -4.77 1.08 4.77 0.24 -4.17 117.00 113.42 1djz n LEU 641 Ca -0.13 1.00 -0.40 0.00 -0.03 0.00 0.00 56.01 56.45 1djz n LEU 641 Cb 0.60 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.22 1djz n LEU 641 CO 0.78 0.02 1.09 -2.16 -1.33 0.00 0.00 177.39 175.79 1djz s PRO 642 N 2.78 3.91 -0.32 3.23 0.04 -1.26 -4.68 135.00 138.70 1djz s PRO 642 Ca 0.84 2.48 -0.22 0.00 0.04 0.00 0.00 61.00 64.14 1djz s PRO 642 Cb -0.57 -2.82 -0.00 0.00 0.04 0.00 0.00 34.50 31.15 1djz s PRO 642 CO 0.41 -0.65 0.70 0.21 0.04 0.00 0.00 177.00 177.71 1djz s LYS 643 N -2.26 3.88 -0.00 4.56 2.47 -1.26 -4.96 119.74 122.17 1djz s LYS 643 Ca 0.57 0.38 -0.00 0.00 -1.56 0.00 0.00 55.97 55.35 1djz s LYS 643 Cb -0.45 -3.74 -0.00 0.00 -1.46 0.00 0.00 37.83 32.18 1djz s LYS 643 CO 0.59 -0.66 -0.00 -0.39 0.16 0.00 0.00 175.35 175.06 1djz h VAL 644 N 5.60 0.00 0.00 4.02 -1.51 -1.93 -3.51 116.25 118.92 1djz h VAL 644 Ca -0.26 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 1djz h VAL 644 Cb 1.11 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1djz h VAL 644 CO 0.85 0.00 0.00 -3.20 -1.23 0.00 0.00 177.57 173.99 1djz n ASN 645 N -2.05 0.00 -0.36 4.19 5.15 -1.26 -4.79 115.26 116.14 1djz n ASN 645 Ca -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1djz n ASN 645 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1djz n ASN 645 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1djz n LYS 646 N 0.00 1.05 0.00 1.20 4.81 -1.26 -4.97 118.16 119.00 1djz n LYS 646 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1djz n LYS 646 Cb 0.00 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1djz n LYS 646 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1djz n ASN 647 N -0.15 0.00 -2.33 3.14 5.15 -1.26 -5.07 115.26 114.74 1djz n ASN 647 Ca 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.95 1djz n ASN 647 Cb 0.18 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.40 1djz n ASN 647 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1djz n LYS 648 N 6.93 -3.19 -3.19 1.20 0.00 -1.26 -4.61 118.16 114.03 1djz n LYS 648 Ca 0.00 2.56 -0.08 0.00 0.00 0.00 0.00 58.31 60.80 1djz n LYS 648 Cb 0.00 -4.08 0.01 0.00 0.00 0.00 0.00 35.03 30.96 1djz n LYS 648 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1djz n ASN 649 N 1.06 -6.56 -1.34 3.14 0.23 -1.26 -4.82 115.26 105.71 1djz n ASN 649 Ca -0.23 0.41 -0.03 0.00 -0.53 0.00 0.00 54.58 54.20 1djz n ASN 649 Cb 0.36 -2.10 0.01 0.00 -2.08 0.00 0.00 39.78 35.97 1djz n ASN 649 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1djz n SER 650 N 0.91 4.27 -4.10 0.53 3.41 -1.26 -4.81 113.62 112.56 1djz n SER 650 Ca -0.01 -2.34 -0.33 0.00 -0.26 0.00 0.00 58.87 55.92 1djz n SER 650 Cb 0.48 -0.81 -0.15 0.00 -0.26 0.00 0.00 64.21 63.47 1djz n SER 650 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1djz s ILE 651 N -0.40 2.39 0.58 -1.33 -1.09 -1.26 -4.98 121.20 115.10 1djz s ILE 651 Ca 0.06 -1.54 -0.18 0.00 -2.23 0.00 0.00 60.65 56.77 1djz s ILE 651 Cb 0.05 -2.38 -0.12 0.00 -1.58 0.00 0.00 42.46 38.43 1djz s ILE 651 CO 0.01 -0.03 0.10 0.52 -1.23 0.00 0.00 174.94 174.31 1djz n VAL 652 N 4.49 0.89 -3.44 2.92 0.31 -1.26 -4.40 118.33 117.84 1djz n VAL 652 Ca -0.14 -0.49 -0.26 0.00 -0.01 0.00 0.00 64.34 63.44 1djz n VAL 652 Cb 0.43 -0.29 -0.09 0.00 -0.91 0.00 0.00 33.84 32.98 1djz n VAL 652 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1djz n ASP 653 N 1.66 1.16 -4.77 4.52 9.92 -1.26 -2.04 116.55 125.74 1djz n ASP 653 Ca 0.09 -2.82 -0.38 0.00 -0.53 0.00 0.00 54.79 51.14 1djz n ASP 653 Cb 0.48 -0.64 -0.01 0.00 -0.64 0.00 0.00 41.12 40.32 1djz n ASP 653 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1djz s PRO 654 N -1.06 3.80 0.06 -0.24 0.04 -1.04 -1.57 135.00 134.98 1djz s PRO 654 Ca 0.33 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 1djz s PRO 654 Cb 0.08 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 1djz s PRO 654 CO -0.13 -0.55 -0.03 -1.59 0.04 0.00 0.00 177.00 174.73 1djz s LYS 655 N -2.55 0.64 -0.04 4.56 -2.85 -1.03 -0.92 119.74 117.55 1djz s LYS 655 Ca 0.62 -1.23 0.03 0.00 -1.00 0.00 0.00 55.97 54.39 1djz s LYS 655 Cb -0.32 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 1djz s LYS 655 CO 0.39 -0.10 -0.14 0.08 0.10 0.00 0.00 175.35 175.68 1djz s VAL 656 N -3.87 1.19 -0.05 1.79 1.01 -1.26 -2.80 120.40 116.41 1djz s VAL 656 Ca 0.08 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1djz s VAL 656 Cb 0.08 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1djz s VAL 656 CO -0.09 0.35 -0.13 -0.63 0.00 0.00 0.00 175.10 174.60 1djz s ILE 657 N 0.15 3.16 -0.10 2.22 -1.09 0.92 -1.07 121.20 125.40 1djz s ILE 657 Ca -0.05 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.69 1djz s ILE 657 Cb -0.11 -2.25 0.01 0.00 -1.58 0.00 0.00 42.46 38.53 1djz s ILE 657 CO 0.02 0.58 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.44 1djz s VAL 658 N -0.76 1.62 0.06 2.92 1.01 0.16 -1.16 120.40 124.25 1djz s VAL 658 Ca 0.12 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1djz s VAL 658 Cb -0.11 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1djz s VAL 658 CO 0.01 0.46 -0.16 -1.61 0.00 0.00 0.00 175.10 173.80 1djz s GLU 659 N 0.76 1.01 -0.20 2.72 2.02 0.58 -0.11 118.70 125.48 1djz s GLU 659 Ca -0.11 -0.89 -0.03 0.00 0.02 0.00 0.00 54.97 53.96 1djz s GLU 659 Cb -0.16 -1.07 -0.01 0.00 0.10 0.00 0.00 34.13 32.99 1djz s GLU 659 CO 0.02 0.26 -0.07 0.42 0.02 0.00 0.00 175.26 175.91 1djz s ILE 660 N -0.99 3.25 -0.13 -1.63 -1.09 0.12 0.12 121.20 120.85 1djz s ILE 660 Ca 0.02 -0.54 0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1djz s ILE 660 Cb -0.09 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.33 1djz s ILE 660 CO 0.02 0.45 -0.16 -1.00 -1.23 0.00 0.00 174.94 173.02 1djz s HIS 661 N 1.27 2.75 -0.34 3.97 3.76 0.00 -1.81 115.29 124.90 1djz s HIS 661 Ca 0.03 -0.86 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 1djz s HIS 661 Cb -0.14 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.71 1djz s HIS 661 CO -0.03 -0.34 0.00 0.41 -0.85 0.00 0.00 174.74 173.93 1djz n GLY 662 N 3.72 -0.87 3.67 -2.22 0.00 -1.26 0.96 105.19 109.19 1djz n GLY 662 Ca -0.19 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1djz n GLY 662 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1djz n VAL 663 N 0.61 1.30 -0.30 1.61 0.24 -1.26 -4.72 118.33 115.81 1djz n VAL 663 Ca 0.00 -0.14 0.07 0.00 -2.04 0.00 0.00 64.34 62.23 1djz n VAL 663 Cb 0.00 -1.11 0.22 0.00 -1.47 0.00 0.00 33.84 31.48 1djz n VAL 663 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1djz h GLY 664 N -1.25 1.40 2.00 7.63 0.00 -1.98 -0.58 103.07 110.29 1djz h GLY 664 Ca -0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1djz h GLY 664 CO 0.44 -0.00 -0.05 -0.09 0.00 0.00 0.00 176.54 176.83 1djz h ARG 665 N 0.67 0.00 -0.02 4.80 2.43 -1.89 -1.20 114.38 119.17 1djz h ARG 665 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1djz h ARG 665 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1djz h ARG 665 CO -0.34 0.05 -0.13 -0.25 -1.51 0.00 0.00 179.97 177.79 1djz n ASP 666 N -3.92 2.47 -4.72 -3.80 8.00 -0.25 -4.93 116.55 109.40 1djz n ASP 666 Ca -0.03 -1.76 -0.42 0.00 0.71 0.00 0.00 54.79 53.30 1djz n ASP 666 Cb 0.14 0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.33 1djz n ASP 666 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1djz s THR 667 N -2.14 4.28 0.14 -3.53 -4.23 -0.46 -4.68 115.64 105.01 1djz s THR 667 Ca 0.27 1.77 -0.15 0.00 -1.18 0.00 0.00 61.69 62.39 1djz s THR 667 Cb 0.20 -4.13 0.03 0.00 1.34 0.00 0.00 72.50 69.93 1djz s THR 667 CO 0.38 0.21 0.40 -0.83 -0.54 0.00 0.00 174.62 174.24 1djz s GLY 668 N 0.51 -0.16 -0.10 3.99 0.00 -0.75 -4.98 107.32 105.83 1djz s GLY 668 Ca 0.52 -0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.88 1djz s GLY 668 CO 0.31 -0.38 0.43 -0.45 0.00 0.00 0.00 173.10 173.01 1djz s SER 669 N -2.83 -0.40 -0.01 1.64 0.15 -1.26 0.16 113.70 111.15 1djz s SER 669 Ca 0.05 0.61 -0.13 0.00 0.70 0.00 0.00 55.95 57.18 1djz s SER 669 Cb 0.02 0.67 0.02 0.00 -1.71 0.00 0.00 66.02 65.01 1djz s SER 669 CO -0.09 -0.31 0.26 -0.13 1.20 0.00 0.00 173.24 174.17 1djz s ARG 670 N -0.45 0.62 0.07 5.44 1.81 0.84 -4.97 118.95 122.31 1djz s ARG 670 Ca -0.06 -0.27 0.04 0.00 -1.72 0.00 0.00 55.73 53.72 1djz s ARG 670 Cb -0.03 0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.71 1djz s ARG 670 CO 0.03 -0.17 -0.13 1.14 -0.68 0.00 0.00 175.30 175.50 1djz s GLN 671 N -1.42 0.76 0.43 3.54 -2.07 -1.26 0.36 119.66 120.01 1djz s GLN 671 Ca -0.13 -0.92 -0.03 0.00 -1.82 0.00 0.00 55.36 52.45 1djz s GLN 671 Cb -0.06 -0.70 0.09 0.00 -1.09 0.00 0.00 33.01 31.26 1djz s GLN 671 CO 0.03 0.15 0.59 0.25 -1.32 0.00 0.00 175.29 174.99 1djz n THR 672 N 1.28 0.00 -2.32 3.63 -2.24 -0.23 -4.99 114.28 109.41 1djz n THR 672 Ca -0.21 -0.72 -0.26 0.00 -2.27 0.00 0.00 64.05 60.59 1djz n THR 672 Cb 0.54 -1.35 0.12 0.00 -2.10 0.00 0.00 70.33 67.54 1djz n THR 672 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djz s ALA 673 N -3.35 3.19 -0.13 6.98 0.00 -1.26 -4.58 121.76 122.60 1djz s ALA 673 Ca 0.37 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1djz s ALA 673 Cb -0.02 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1djz s ALA 673 CO 0.25 -1.66 0.10 0.08 0.00 0.00 0.00 175.76 174.52 1djz s VAL 674 N -3.35 5.12 -0.25 0.00 1.01 -1.26 -4.29 120.40 117.38 1djz s VAL 674 Ca 0.67 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 1djz s VAL 674 Cb -0.06 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1djz s VAL 674 CO 0.46 0.58 0.14 -0.63 0.00 0.00 0.00 175.10 175.66 1djz s ILE 675 N -0.70 5.05 0.26 2.22 1.09 -0.10 -4.97 121.20 124.05 1djz s ILE 675 Ca 0.12 0.08 -0.21 0.00 -1.10 0.00 0.00 60.65 59.54 1djz s ILE 675 Cb -0.12 -3.37 -0.09 0.00 -1.06 0.00 0.00 42.46 37.83 1djz s ILE 675 CO 0.03 0.32 0.78 0.42 -0.10 0.00 0.00 174.94 176.38 1djz s THR 676 N 1.40 4.50 -1.52 2.92 -4.23 -1.26 -2.48 115.64 114.96 1djz s THR 676 Ca 0.07 1.38 -0.13 0.00 -1.18 0.00 0.00 61.69 61.83 1djz s THR 676 Cb -0.15 -3.87 0.08 0.00 1.34 0.00 0.00 72.50 69.91 1djz s THR 676 CO 0.07 0.15 0.97 0.59 -0.54 0.00 0.00 174.62 175.85 1djz n ASN 677 N 0.57 -4.57 -3.66 3.99 4.13 -1.17 -4.97 115.26 109.57 1djz n ASN 677 Ca -0.01 -0.78 -0.09 0.00 1.68 0.00 0.00 54.58 55.38 1djz n ASN 677 Cb 0.51 -3.89 -0.10 0.00 -1.54 0.00 0.00 39.78 34.76 1djz n ASN 677 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1djz s ASN 678 N -3.38 -0.24 0.00 6.41 3.84 -0.86 -4.60 114.94 116.10 1djz s ASN 678 Ca 0.62 0.95 0.00 0.00 0.21 0.00 0.00 52.86 54.64 1djz s ASN 678 Cb -0.31 1.23 0.00 0.00 -0.55 0.00 0.00 41.25 41.61 1djz s ASN 678 CO 0.83 -0.23 0.00 0.61 -2.79 0.00 0.00 177.10 175.52 1djz n GLY 679 N 5.24 0.42 0.21 1.21 0.00 -1.26 -4.31 105.19 106.69 1djz n GLY 679 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1djz n GLY 679 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1djz h PHE 680 N 0.00 0.80 0.00 1.61 3.57 -1.84 0.75 116.94 121.83 1djz h PHE 680 Ca 0.00 -0.21 -0.21 0.00 3.53 0.00 0.00 57.97 61.08 1djz h PHE 680 Cb 0.00 -0.18 -0.14 0.00 2.79 0.00 0.00 35.95 38.42 1djz h PHE 680 CO 0.00 0.92 -0.31 0.27 -2.23 0.00 0.00 178.31 176.95 1djz n ASN 681 N -4.34 -1.98 -4.76 0.41 6.94 -1.25 -0.86 115.26 109.43 1djz n ASN 681 Ca -0.03 -2.86 -0.35 0.00 -0.02 0.00 0.00 54.58 51.31 1djz n ASN 681 Cb 0.41 1.40 0.03 0.00 -2.36 0.00 0.00 39.78 39.27 1djz n ASN 681 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1djz s PRO 682 N 0.20 2.95 -0.05 -0.53 0.04 -1.19 -4.79 135.00 131.64 1djz s PRO 682 Ca 0.20 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.00 1djz s PRO 682 Cb 0.32 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.95 1djz s PRO 682 CO -0.08 -1.20 -0.03 0.50 0.04 0.00 0.00 177.00 176.23 1djz s ARG 683 N -3.43 0.74 -0.10 4.56 3.52 -1.26 -0.11 118.95 122.87 1djz s ARG 683 Ca 0.76 -0.05 0.01 0.00 -0.13 0.00 0.00 55.73 56.31 1djz s ARG 683 Cb -0.28 -0.84 -0.06 0.00 -1.56 0.00 0.00 34.95 32.21 1djz s ARG 683 CO 0.34 -0.13 -0.09 0.91 -0.81 0.00 0.00 175.30 175.52 1djz n TRP 684 N 4.26 0.00 -3.75 5.12 8.01 0.10 -4.97 117.44 126.21 1djz n TRP 684 Ca -0.22 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.64 1djz n TRP 684 Cb 0.51 -0.38 0.04 0.00 -2.01 0.00 0.00 31.31 29.46 1djz n TRP 684 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1djz n ASP 685 N -2.78 -4.85 -4.21 -0.99 8.00 -0.48 -4.98 116.55 106.25 1djz n ASP 685 Ca -0.17 -1.06 -0.25 0.00 0.71 0.00 0.00 54.79 54.02 1djz n ASP 685 Cb 0.69 -3.12 -0.15 0.00 -0.02 0.00 0.00 41.12 38.52 1djz n ASP 685 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1djz s MET 686 N -6.22 1.39 -0.01 -1.24 1.75 0.61 -4.93 119.30 110.66 1djz s MET 686 Ca 0.45 -0.78 0.03 0.00 -1.25 0.00 0.00 55.69 54.14 1djz s MET 686 Cb -0.17 -1.42 -0.01 0.00 2.84 0.00 0.00 34.83 36.07 1djz s MET 686 CO 0.88 0.37 -0.11 -2.00 -0.65 0.00 0.00 175.02 173.52 1djz s GLU 687 N -0.81 0.88 0.17 4.11 2.12 -1.26 0.19 118.70 124.10 1djz s GLU 687 Ca 0.07 -0.38 0.11 0.00 0.36 0.00 0.00 54.97 55.13 1djz s GLU 687 Cb -0.08 -0.84 -0.04 0.00 0.26 0.00 0.00 34.13 33.42 1djz s GLU 687 CO 0.00 0.22 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.66 1djz s PHE 688 N -0.23 2.36 -0.08 5.30 0.08 0.26 -4.97 117.98 120.70 1djz s PHE 688 Ca 0.04 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.76 1djz s PHE 688 Cb -0.04 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 41.22 1djz s PHE 688 CO -0.00 0.45 -0.13 -2.00 -0.10 0.00 0.00 175.22 173.43 1djz s GLU 689 N -2.48 1.89 0.03 0.44 -6.30 -1.26 -1.28 118.70 109.74 1djz s GLU 689 Ca 0.19 -0.46 0.08 0.00 -2.50 0.00 0.00 54.97 52.28 1djz s GLU 689 Cb -0.09 -1.59 -0.02 0.00 0.00 0.00 0.00 34.13 32.42 1djz s GLU 689 CO 0.09 -0.01 -0.23 -0.06 0.02 0.00 0.00 175.26 175.07 1djz s PHE 690 N 0.82 2.05 -0.20 5.30 0.08 -0.01 -4.97 117.98 121.06 1djz s PHE 690 Ca -0.11 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.43 1djz s PHE 690 Cb -0.15 -1.25 -0.05 0.00 -0.57 0.00 0.00 43.02 41.00 1djz s PHE 690 CO 0.02 0.07 0.23 -2.00 -0.10 0.00 0.00 175.22 173.44 1djz s GLU 691 N -1.05 4.18 -0.29 0.44 2.12 -1.26 0.02 118.70 122.87 1djz s GLU 691 Ca 0.09 -0.06 0.02 0.00 0.36 0.00 0.00 54.97 55.38 1djz s GLU 691 Cb -0.09 -3.47 0.08 0.00 0.26 0.00 0.00 34.13 30.91 1djz s GLU 691 CO 0.01 0.17 -0.01 0.08 -0.54 0.00 0.00 175.26 174.97 1djz s VAL 692 N 0.70 1.91 0.19 3.70 1.01 -0.29 -4.83 120.40 122.79 1djz s VAL 692 Ca 0.12 -1.78 0.18 0.00 0.00 0.00 0.00 61.98 60.51 1djz s VAL 692 Cb -0.13 -2.25 0.13 0.00 0.00 0.00 0.00 36.38 34.13 1djz s VAL 692 CO 0.03 -0.33 1.75 0.71 0.00 0.00 0.00 175.10 177.25 1djz h THR 693 N 6.65 0.92 -2.11 3.92 1.35 -1.85 -0.64 112.91 121.15 1djz h THR 693 Ca -0.12 -1.50 -0.55 0.00 -0.55 0.00 0.00 66.41 63.69 1djz h THR 693 Cb 1.04 1.90 -0.41 0.00 -1.73 0.00 0.00 68.15 68.95 1djz h THR 693 CO 0.47 0.37 -0.92 0.52 -0.25 0.00 0.00 175.52 175.71 1djz n VAL 694 N -3.58 1.01 -0.15 6.82 0.31 -1.26 -1.49 118.33 119.99 1djz n VAL 694 Ca -0.00 -4.83 0.27 0.00 -0.01 0.00 0.00 64.34 59.77 1djz n VAL 694 Cb 0.50 -1.31 0.72 0.00 -0.91 0.00 0.00 33.84 32.84 1djz n VAL 694 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1djz h PRO 695 N 3.46 0.00 0.00 5.55 0.10 -1.81 0.63 132.00 139.93 1djz h PRO 695 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.22 1djz h PRO 695 Cb 0.77 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.87 1djz h PRO 695 CO 0.64 0.00 0.00 -0.25 0.10 0.00 0.00 178.00 178.49 1djz n ASP 696 N -4.27 0.57 -0.35 -2.05 8.00 -1.26 -1.58 116.55 115.61 1djz n ASP 696 Ca 0.17 0.64 0.04 0.00 0.71 0.00 0.00 54.79 56.36 1djz n ASP 696 Cb 0.91 -0.76 0.05 0.00 -0.02 0.00 0.00 41.12 41.30 1djz n ASP 696 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1djz n LEU 697 N -2.13 1.93 -4.91 0.64 4.77 0.20 -4.83 117.00 112.67 1djz n LEU 697 Ca 0.02 -1.27 -0.29 0.00 -0.03 0.00 0.00 56.01 54.44 1djz n LEU 697 Cb 0.21 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1djz n LEU 697 CO 0.18 0.42 0.20 0.00 -1.33 0.00 0.00 177.39 176.86 1djz s ALA 698 N -0.75 3.63 0.02 -1.18 0.00 -0.62 -4.29 121.76 118.58 1djz s ALA 698 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1djz s ALA 698 Cb 0.07 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 1djz s ALA 698 CO 0.10 0.25 -0.03 -0.51 0.00 0.00 0.00 175.76 175.57 1djz s LEU 699 N -3.54 2.24 -0.10 0.00 1.02 0.27 -1.72 118.68 116.85 1djz s LEU 699 Ca 0.44 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 54.12 1djz s LEU 699 Cb -0.11 0.07 -0.00 0.00 0.02 0.00 0.00 46.19 46.17 1djz s LEU 699 CO 0.30 -0.29 -0.23 -0.69 0.02 0.00 0.00 176.35 175.46 1djz s VAL 700 N -1.45 2.20 -0.06 -1.59 1.01 0.61 -0.82 120.40 120.30 1djz s VAL 700 Ca -0.15 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 60.90 1djz s VAL 700 Cb -0.10 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 1djz s VAL 700 CO -0.01 0.56 -0.21 -0.60 0.00 0.00 0.00 175.10 174.84 1djz s ARG 701 N 0.32 2.31 -0.23 2.72 3.52 0.33 -0.59 118.95 127.33 1djz s ARG 701 Ca -0.17 -0.74 -0.06 0.00 -0.13 0.00 0.00 55.73 54.62 1djz s ARG 701 Cb -0.18 -1.90 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 1djz s ARG 701 CO 0.08 0.24 0.04 -0.06 -0.81 0.00 0.00 175.30 174.80 1djz s PHE 702 N 0.13 3.06 -0.03 5.12 0.08 0.19 -0.30 117.98 126.23 1djz s PHE 702 Ca -0.09 -0.47 0.03 0.00 0.12 0.00 0.00 56.93 56.52 1djz s PHE 702 Cb -0.14 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1djz s PHE 702 CO 0.04 -0.33 -0.11 1.41 -0.10 0.00 0.00 175.22 176.14 1djz s MET 703 N 1.39 1.12 -0.27 0.44 -2.45 -0.30 -0.17 119.30 119.06 1djz s MET 703 Ca 0.05 -0.36 -0.03 0.00 -1.25 0.00 0.00 55.69 54.09 1djz s MET 703 Cb -0.15 -1.03 0.03 0.00 1.25 0.00 0.00 34.83 34.93 1djz s MET 703 CO 0.02 0.14 -0.01 0.08 1.05 0.00 0.00 175.02 176.30 1djz s VAL 704 N 0.16 3.21 0.04 10.11 1.01 0.38 -0.05 120.40 135.26 1djz s VAL 704 Ca -0.03 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.96 1djz s VAL 704 Cb -0.09 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1djz s VAL 704 CO 0.01 0.11 0.11 -1.61 0.00 0.00 0.00 175.10 173.71 1djz s GLU 705 N 1.36 3.08 -0.25 2.72 2.02 -1.12 0.17 118.70 126.68 1djz s GLU 705 Ca -0.00 -0.54 -0.19 0.00 0.02 0.00 0.00 54.97 54.26 1djz s GLU 705 Cb -0.17 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 1djz s GLU 705 CO -0.02 0.61 0.54 0.34 0.02 0.00 0.00 175.26 176.76 1djz s ASP 706 N -2.10 6.48 0.34 -0.19 -1.08 0.43 -2.47 116.67 118.09 1djz s ASP 706 Ca 0.27 0.58 -0.26 0.00 -0.52 0.00 0.00 52.55 52.62 1djz s ASP 706 Cb -0.12 -2.30 -0.09 0.00 -1.46 0.00 0.00 42.92 38.95 1djz s ASP 706 CO 0.19 -0.29 1.04 -0.47 0.52 0.00 0.00 175.17 176.15 1djz s TYR 707 N 2.27 3.48 -0.12 -5.34 6.14 -0.61 -1.70 117.35 121.48 1djz s TYR 707 Ca 0.23 1.70 -0.05 0.00 0.64 0.00 0.00 57.07 59.59 1djz s TYR 707 Cb -0.16 -3.12 0.05 0.00 0.42 0.00 0.00 41.96 39.16 1djz s TYR 707 CO 0.09 -0.38 0.26 -0.51 0.64 0.00 0.00 175.55 175.65 1djz s ASP 708 N -1.36 0.01 0.17 4.32 1.01 -1.26 -4.66 116.67 114.89 1djz s ASP 708 Ca 0.52 0.57 -0.06 0.00 0.71 0.00 0.00 52.55 54.28 1djz s ASP 708 Cb -0.24 0.55 0.03 0.00 1.01 0.00 0.00 42.92 44.27 1djz s ASP 708 CO 0.31 -0.20 1.46 0.77 0.21 0.00 0.00 175.17 177.71 1djz h SER 709 N 7.70 0.73 0.04 0.27 4.64 -1.97 -3.35 113.55 121.61 1djz h SER 709 Ca -0.28 -0.40 -0.00 0.00 -0.47 0.00 0.00 61.79 60.63 1djz h SER 709 Cb 1.14 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1djz h SER 709 CO 0.26 1.15 -0.02 0.28 -0.87 0.00 0.00 176.83 177.63 1djz h SER 710 N 0.49 -0.05 0.00 4.97 0.02 -2.04 -3.49 113.55 113.46 1djz h SER 710 Ca 0.00 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1djz h SER 710 Cb 1.15 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1djz h SER 710 CO 0.11 0.64 0.00 -1.54 -1.14 0.00 0.00 176.83 174.90 1djz n SER 711 N -4.78 0.00 -4.65 3.07 3.41 -1.26 -5.11 113.62 104.31 1djz n SER 711 Ca -0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.18 1djz n SER 711 Cb 0.33 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 1djz n SER 711 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1djz s LYS 712 N 4.24 3.64 -0.15 4.33 2.20 -1.26 -4.82 119.74 127.92 1djz s LYS 712 Ca 0.00 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 1djz s LYS 712 Cb 0.00 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.20 1djz s LYS 712 CO 0.00 0.42 2.04 -0.80 -0.36 0.00 0.00 175.35 176.65 1djz s ASN 713 N -0.07 5.90 0.39 1.43 0.01 -1.26 -4.82 114.94 116.52 1djz s ASN 713 Ca 0.05 2.07 -0.25 0.00 -0.71 0.00 0.00 52.86 54.02 1djz s ASN 713 Cb -0.12 -2.52 -0.11 0.00 0.41 0.00 0.00 41.25 38.90 1djz s ASN 713 CO 0.01 -1.58 1.03 0.47 -1.51 0.00 0.00 177.10 175.52 1djz n ASP 714 N 9.92 1.37 -4.77 -1.22 9.92 -0.69 -4.57 116.55 126.51 1djz n ASP 714 Ca 0.25 1.08 -0.39 0.00 -0.53 0.00 0.00 54.79 55.19 1djz n ASP 714 Cb 0.44 -1.35 -0.06 0.00 -0.64 0.00 0.00 41.12 39.51 1djz n ASP 714 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1djz s PHE 715 N -1.22 3.85 -0.17 1.24 2.19 -1.26 0.16 117.98 122.77 1djz s PHE 715 Ca 0.61 1.55 -0.05 0.00 0.33 0.00 0.00 56.93 59.38 1djz s PHE 715 Cb -0.59 -2.75 -0.09 0.00 -1.31 0.00 0.00 43.02 38.28 1djz s PHE 715 CO 0.58 0.46 -0.20 -0.89 1.83 0.00 0.00 175.22 177.01 1djz n ILE 716 N 1.91 0.97 -3.74 3.12 5.41 0.44 -4.75 119.36 122.73 1djz n ILE 716 Ca -0.05 -0.30 -0.00 0.00 1.00 0.00 0.00 62.75 63.40 1djz n ILE 716 Cb 0.49 -1.48 -0.00 0.00 -0.71 0.00 0.00 39.64 37.94 1djz n ILE 716 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1djz s GLY 717 N -5.44 -0.26 0.19 7.39 0.00 -0.98 -4.76 107.32 103.46 1djz s GLY 717 Ca -0.24 0.32 -0.24 0.00 0.00 0.00 0.00 44.72 44.57 1djz s GLY 717 CO 0.34 1.23 0.81 1.62 0.00 0.00 0.00 173.10 177.10 1djz s GLN 718 N -2.53 1.40 -0.28 2.90 -0.44 -0.80 -0.47 119.66 119.45 1djz s GLN 718 Ca 0.17 -0.73 -0.19 0.00 -2.50 0.00 0.00 55.36 52.11 1djz s GLN 718 Cb 0.02 0.51 0.09 0.00 -1.64 0.00 0.00 33.01 31.98 1djz s GLN 718 CO -0.01 -0.64 0.75 0.45 0.50 0.00 0.00 175.29 176.34 1djz s SER 719 N -2.86 -0.81 -0.14 6.67 0.15 0.77 -0.59 113.70 116.88 1djz s SER 719 Ca 0.10 1.39 0.02 0.00 0.70 0.00 0.00 55.95 58.15 1djz s SER 719 Cb -0.03 1.36 0.02 0.00 -1.71 0.00 0.00 66.02 65.66 1djz s SER 719 CO 0.01 -0.23 -0.18 -0.89 1.20 0.00 0.00 173.24 173.15 1djz s THR 720 N 1.12 1.81 -0.11 6.45 2.01 -1.26 0.57 115.64 126.22 1djz s THR 720 Ca -0.06 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.16 1djz s THR 720 Cb -0.05 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.84 1djz s THR 720 CO -0.12 0.50 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.48 1djz s ILE 721 N 1.08 1.84 0.33 1.82 1.01 0.24 -4.61 121.20 122.91 1djz s ILE 721 Ca -0.02 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 1djz s ILE 721 Cb -0.14 -1.63 -0.10 0.00 0.01 0.00 0.00 42.46 40.60 1djz s ILE 721 CO -0.06 0.51 1.32 -2.84 0.00 0.00 0.00 174.94 173.87 1djz s PRO 722 N 0.67 4.34 0.26 2.79 0.02 -1.26 -0.28 135.00 141.53 1djz s PRO 722 Ca -0.12 2.24 -0.11 0.00 0.02 0.00 0.00 61.00 63.03 1djz s PRO 722 Cb -0.16 -3.07 0.37 0.00 0.02 0.00 0.00 34.50 31.66 1djz s PRO 722 CO 0.03 -0.21 1.57 2.35 -0.33 0.00 0.00 177.00 180.40 1djz h TRP 723 N 3.41 -0.64 0.00 6.54 2.91 -1.59 0.11 115.95 126.69 1djz h TRP 723 Ca -0.49 0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.62 1djz h TRP 723 Cb 1.23 0.43 0.00 0.00 -0.51 0.00 0.00 29.16 30.30 1djz h TRP 723 CO 0.56 -0.40 0.00 0.09 -1.03 0.00 0.00 178.44 177.65 1djz n ASN 724 N -5.56 0.00 -0.46 2.65 3.02 -1.26 -2.10 115.26 111.55 1djz n ASN 724 Ca 0.13 0.19 0.09 0.00 -0.03 0.00 0.00 54.58 54.95 1djz n ASN 724 Cb 0.45 -0.35 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 1djz n ASN 724 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1djz n SER 725 N -1.35 1.87 -4.61 6.41 7.64 0.34 -4.92 113.62 119.01 1djz n SER 725 Ca 0.07 -1.44 -0.43 0.00 1.01 0.00 0.00 58.87 58.08 1djz n SER 725 Cb 0.15 0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1djz n SER 725 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1djz s LEU 726 N -2.00 3.62 0.37 -3.43 2.96 -0.89 -0.57 118.68 118.73 1djz s LEU 726 Ca 0.16 1.47 -0.15 0.00 -0.22 0.00 0.00 54.13 55.39 1djz s LEU 726 Cb 0.14 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.22 1djz s LEU 726 CO 0.40 -1.60 0.80 -0.54 -1.32 0.00 0.00 176.35 174.09 1djz s LYS 727 N 5.43 3.99 0.35 1.98 -0.14 0.76 -4.93 119.74 127.19 1djz s LYS 727 Ca 0.80 0.73 0.07 0.00 -1.36 0.00 0.00 55.97 56.21 1djz s LYS 727 Cb -0.25 -2.36 -0.01 0.00 -1.68 0.00 0.00 37.83 33.53 1djz s LYS 727 CO 0.33 0.05 0.42 -0.65 -0.76 0.00 0.00 175.35 174.74 1djz s GLN 728 N -3.27 2.91 1.39 1.68 -0.21 -1.26 -4.72 119.66 116.18 1djz s GLN 728 Ca 0.55 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.76 1djz s GLN 728 Cb -0.10 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.25 1djz s GLN 728 CO 0.20 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.80 1djz n GLY 729 N -1.57 0.43 3.58 3.09 0.00 0.23 -4.58 105.19 106.38 1djz n GLY 729 Ca 0.01 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1djz n GLY 729 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djz s TYR 730 N 0.00 3.18 0.13 1.61 2.02 -1.26 -0.33 117.35 122.70 1djz s TYR 730 Ca 0.00 0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 57.11 1djz s TYR 730 Cb 0.00 -3.07 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 1djz s TYR 730 CO 0.00 -0.56 0.14 1.03 -1.57 0.00 0.00 175.55 174.59 1djz s ARG 731 N 2.66 0.98 -0.14 -0.62 1.81 0.17 -4.93 118.95 118.88 1djz s ARG 731 Ca 0.25 -1.29 -0.05 0.00 -1.72 0.00 0.00 55.73 52.92 1djz s ARG 731 Cb -0.15 0.30 -0.04 0.00 -0.45 0.00 0.00 34.95 34.61 1djz s ARG 731 CO 0.13 -0.31 0.04 -1.01 -0.68 0.00 0.00 175.30 173.48 1djz s HIS 732 N -3.99 3.25 -0.32 -0.53 3.76 -0.73 -0.31 115.29 116.41 1djz s HIS 732 Ca 0.19 0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 55.09 1djz s HIS 732 Cb 0.06 -1.96 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 1djz s HIS 732 CO -0.01 0.32 0.32 0.08 -0.85 0.00 0.00 174.74 174.60 1djz s VAL 733 N -0.22 5.21 -0.42 -0.90 1.01 0.15 -1.94 120.40 123.29 1djz s VAL 733 Ca 0.07 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.90 1djz s VAL 733 Cb -0.12 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1djz s VAL 733 CO 0.02 0.02 1.01 -1.00 0.00 0.00 0.00 175.10 175.15 1djz s HIS 734 N 1.94 2.96 0.49 5.22 3.76 -1.26 -1.40 115.29 127.00 1djz s HIS 734 Ca 0.11 0.70 -0.21 0.00 -0.15 0.00 0.00 55.06 55.51 1djz s HIS 734 Cb -0.16 -3.99 -0.08 0.00 1.11 0.00 0.00 32.58 29.46 1djz s HIS 734 CO 0.11 -1.03 1.09 -0.51 -0.85 0.00 0.00 174.74 173.55 1djz s LEU 735 N 3.89 3.89 0.13 0.89 1.43 -0.80 -4.80 118.68 123.31 1djz s LEU 735 Ca 0.42 2.10 0.11 0.00 -1.03 0.00 0.00 54.13 55.72 1djz s LEU 735 Cb -0.10 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1djz s LEU 735 CO 0.24 -0.90 -0.27 -0.76 0.23 0.00 0.00 176.35 174.90 1djz s LEU 736 N -3.37 2.33 1.11 1.79 1.43 0.24 -1.64 118.68 120.57 1djz s LEU 736 Ca 0.67 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 1djz s LEU 736 Cb -0.22 -1.20 0.24 0.00 0.03 0.00 0.00 46.19 45.04 1djz s LEU 736 CO 0.26 0.17 1.10 -0.94 0.23 0.00 0.00 176.35 177.17 1djz s SER 737 N -2.09 1.70 0.59 2.29 1.04 0.19 -1.90 113.70 115.51 1djz s SER 737 Ca 0.14 0.89 0.37 0.00 0.48 0.00 0.00 55.95 57.83 1djz s SER 737 Cb -0.10 -1.35 1.75 0.00 0.10 0.00 0.00 66.02 66.42 1djz s SER 737 CO 0.06 -3.67 2.13 0.07 0.98 0.00 0.00 173.24 172.81 1djz h LYS 738 N -2.27 0.00 -0.44 4.02 2.10 -1.89 -2.02 116.57 116.07 1djz h LYS 738 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1djz h LYS 738 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1djz h LYS 738 CO 0.46 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 178.02 1djz n ASN 739 N -3.16 2.71 0.00 7.07 3.02 -1.26 -4.49 115.26 119.15 1djz n ASN 739 Ca -0.01 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1djz n ASN 739 Cb 0.22 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1djz n ASN 739 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djz n GLY 740 N 1.33 0.58 3.82 7.41 0.00 -0.76 -5.02 105.19 112.54 1djz n GLY 740 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1djz n GLY 740 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1djz s ASP 741 N -2.05 7.01 0.08 1.61 1.01 -1.26 -4.79 116.67 118.28 1djz s ASP 741 Ca 0.00 1.57 -0.31 0.00 0.71 0.00 0.00 52.55 54.52 1djz s ASP 741 Cb 0.00 -2.48 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 1djz s ASP 741 CO 0.00 -0.18 1.21 -1.10 0.21 0.00 0.00 175.17 175.31 1djz s GLN 742 N -2.64 4.43 -0.75 8.23 -1.52 -1.26 -0.64 119.66 125.51 1djz s GLN 742 Ca 0.54 1.80 -0.16 0.00 -1.95 0.00 0.00 55.36 55.58 1djz s GLN 742 Cb -0.13 -3.33 0.17 0.00 -0.22 0.00 0.00 33.01 29.50 1djz s GLN 742 CO 0.18 -0.25 0.77 -1.01 -0.25 0.00 0.00 175.29 174.73 1djz s HIS 743 N 0.96 3.41 0.08 0.91 3.76 -0.65 -4.89 115.29 118.87 1djz s HIS 743 Ca 0.59 -1.57 -0.08 0.00 -0.15 0.00 0.00 55.06 53.85 1djz s HIS 743 Cb -0.30 -3.94 0.05 0.00 1.11 0.00 0.00 32.58 29.51 1djz s HIS 743 CO 0.30 -1.14 0.56 -0.35 -0.85 0.00 0.00 174.74 173.26 1djz n PRO 744 N 5.10 -0.11 -0.19 8.40 -0.04 -1.26 -1.71 135.00 145.19 1djz n PRO 744 Ca 0.06 0.56 0.06 0.00 -0.04 0.00 0.00 63.50 64.14 1djz n PRO 744 Cb 0.45 -0.83 0.15 0.00 -0.04 0.00 0.00 33.50 33.23 1djz n PRO 744 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1djz n SER 745 N -4.51 2.90 -4.70 3.54 7.64 -1.26 -4.97 113.62 112.25 1djz n SER 745 Ca 0.03 -2.40 -0.36 0.00 1.01 0.00 0.00 58.87 57.15 1djz n SER 745 Cb 0.13 -0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 62.96 1djz n SER 745 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1djz s ALA 746 N -1.71 3.65 0.15 -0.43 0.00 -0.69 -4.26 121.76 118.46 1djz s ALA 746 Ca 0.24 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.31 1djz s ALA 746 Cb 0.17 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 21.05 1djz s ALA 746 CO 0.09 0.00 0.38 0.95 0.00 0.00 0.00 175.76 177.18 1djz s THR 747 N 0.67 0.07 0.07 0.00 -4.23 -1.01 -1.89 115.64 109.31 1djz s THR 747 Ca 0.09 -0.89 0.10 0.00 -1.18 0.00 0.00 61.69 59.80 1djz s THR 747 Cb -0.12 -1.45 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 1djz s THR 747 CO 0.01 -0.30 -0.26 -0.76 -0.54 0.00 0.00 174.62 172.76 1djz s LEU 748 N -2.87 2.21 -0.16 4.79 1.43 -0.49 -0.95 118.68 122.64 1djz s LEU 748 Ca 0.08 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1djz s LEU 748 Cb 0.02 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.98 1djz s LEU 748 CO -0.07 0.23 -0.15 0.12 0.23 0.00 0.00 176.35 176.72 1djz s PHE 749 N -0.88 2.79 0.26 0.29 5.36 0.78 0.35 117.98 126.93 1djz s PHE 749 Ca 0.12 -1.06 0.01 0.00 -0.96 0.00 0.00 56.93 55.04 1djz s PHE 749 Cb -0.10 -1.90 -0.05 0.00 -0.34 0.00 0.00 43.02 40.63 1djz s PHE 749 CO 0.03 -0.49 0.10 0.14 -1.46 0.00 0.00 175.22 173.53 1djz s VAL 750 N 0.87 0.56 -0.24 3.12 -7.23 0.58 -1.51 120.40 116.54 1djz s VAL 750 Ca -0.04 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1djz s VAL 750 Cb -0.15 -2.63 0.07 0.00 0.56 0.00 0.00 36.38 34.22 1djz s VAL 750 CO -0.01 -0.00 -0.00 -0.75 -0.31 0.00 0.00 175.10 174.03 1djz s LYS 751 N -4.03 1.21 -0.12 4.82 2.47 -0.96 -0.66 119.74 122.47 1djz s LYS 751 Ca 0.38 -0.90 -0.08 0.00 -1.56 0.00 0.00 55.97 53.80 1djz s LYS 751 Cb 0.08 -2.41 -0.04 0.00 -1.46 0.00 0.00 37.83 34.00 1djz s LYS 751 CO 0.14 -0.69 0.16 0.42 0.16 0.00 0.00 175.35 175.54 1djz s ILE 752 N 1.52 5.46 -0.14 5.43 1.01 0.55 -2.26 121.20 132.77 1djz s ILE 752 Ca -0.01 0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 1djz s ILE 752 Cb -0.18 -3.44 0.06 0.00 0.01 0.00 0.00 42.46 38.91 1djz s ILE 752 CO -0.10 0.60 0.32 -0.94 0.00 0.00 0.00 174.94 174.82 1djz s SER 753 N -0.88 -0.29 -0.07 3.58 1.04 -0.37 0.74 113.70 117.45 1djz s SER 753 Ca 0.15 0.69 0.05 0.00 0.48 0.00 0.00 55.95 57.33 1djz s SER 753 Cb -0.12 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1djz s SER 753 CO 0.04 -0.19 -0.24 -0.63 0.98 0.00 0.00 173.24 173.21 1djz s ILE 754 N 1.51 1.99 0.23 -1.02 1.01 -1.26 -0.47 121.20 123.19 1djz s ILE 754 Ca -0.08 -1.01 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 1djz s ILE 754 Cb -0.10 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.69 1djz s ILE 754 CO -0.10 0.55 0.53 0.00 0.00 0.00 0.00 174.94 175.91 1djz s GLN 755 N 0.03 1.50 0.00 2.79 -2.07 -0.49 -4.94 119.66 116.49 1djz s GLN 755 Ca -0.09 -1.06 0.17 0.00 -1.82 0.00 0.00 55.36 52.57 1djz s GLN 755 Cb -0.15 0.51 1.03 0.00 -1.09 0.00 0.00 33.01 33.31 1djz s GLN 755 CO 0.05 -0.64 1.43 -0.25 -1.32 0.00 0.00 175.29 174.56