#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c82 n ASP 172 N 0.00 0.00 0.23 4.39 3.85 -1.26 -5.01 116.55 118.75 1c82 n ASP 172 Ca 0.00 -0.90 0.08 0.00 -0.71 0.00 0.00 54.79 53.27 1c82 n ASP 172 Cb 0.00 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 40.31 1c82 n ASP 172 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1c82 h THR 173 N 0.90 0.85 -0.37 2.12 1.35 -2.01 -1.19 112.91 114.56 1c82 h THR 173 Ca 0.00 -0.90 -0.09 0.00 -0.55 0.00 0.00 66.41 64.87 1c82 h THR 173 Cb 0.00 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1c82 h THR 173 CO 0.00 0.23 -0.13 1.88 -0.25 0.00 0.00 175.52 177.25 1c82 h TYR 174 N 0.00 0.84 -0.10 4.73 0.05 -1.96 -0.66 116.97 119.87 1c82 h TYR 174 Ca -0.00 -0.19 -0.08 0.00 0.05 0.00 0.00 58.73 58.50 1c82 h TYR 174 Cb 0.51 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1c82 h TYR 174 CO 0.00 0.90 -0.30 1.15 -1.05 0.00 0.00 178.16 178.86 1c82 h THR 175 N 0.54 1.26 -0.29 -2.88 2.02 -1.74 -0.99 112.91 110.81 1c82 h THR 175 Ca 0.09 -1.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 1c82 h THR 175 Cb 0.65 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1c82 h THR 175 CO 0.04 0.36 0.01 0.44 0.37 0.00 0.00 175.52 176.75 1c82 h ASP 176 N 0.17 0.50 -0.51 4.18 3.45 -0.72 -1.73 116.42 121.76 1c82 h ASP 176 Ca 0.02 -0.30 -0.09 0.00 0.43 0.00 0.00 57.03 57.09 1c82 h ASP 176 Cb 0.63 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.24 1c82 h ASP 176 CO 0.05 0.68 -0.02 0.03 -1.57 0.00 0.00 179.24 178.40 1c82 h ARG 177 N 0.31 0.95 0.00 3.56 2.47 -0.82 -2.12 114.38 118.74 1c82 h ARG 177 Ca 0.08 -0.29 -0.02 0.00 -1.26 0.00 0.00 59.98 58.49 1c82 h ARG 177 Cb 0.41 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1c82 h ARG 177 CO 0.01 0.95 -0.11 -0.07 0.56 0.00 0.00 179.97 181.32 1c82 h LEU 178 N 0.87 0.00 -0.09 3.04 3.38 -1.07 0.14 115.31 121.58 1c82 h LEU 178 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1c82 h LEU 178 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1c82 h LEU 178 CO 0.03 0.11 -0.50 0.44 0.09 0.00 0.00 178.44 178.61 1c82 h ASP 179 N 0.00 0.59 -0.90 -0.43 3.32 -0.67 -1.09 116.42 117.24 1c82 h ASP 179 Ca -0.00 -0.65 -0.00 0.00 0.02 0.00 0.00 57.03 56.39 1c82 h ASP 179 Cb 0.48 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1c82 h ASP 179 CO 0.01 1.15 0.55 0.44 -1.72 0.00 0.00 179.24 179.67 1c82 h ASP 180 N 0.07 1.07 -0.37 6.45 3.32 -0.81 -1.29 116.42 124.85 1c82 h ASP 180 Ca -0.04 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1c82 h ASP 180 Cb 1.15 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 1c82 h ASP 180 CO 0.10 0.82 0.16 -0.25 -1.72 0.00 0.00 179.24 178.35 1c82 h TRP 181 N 1.23 0.56 -0.42 4.55 2.91 -0.89 -2.22 115.95 121.66 1c82 h TRP 181 Ca 0.32 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.29 1c82 h TRP 181 Cb -0.06 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 28.40 1c82 h TRP 181 CO 0.00 0.49 0.19 -0.91 -1.03 0.00 0.00 178.44 177.19 1c82 h ASN 182 N 0.46 0.53 0.68 2.65 2.35 -0.73 0.57 115.58 122.08 1c82 h ASN 182 Ca 0.13 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1c82 h ASN 182 Cb 0.16 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1c82 h ASN 182 CO -0.01 0.46 -0.23 1.23 -1.65 0.00 0.00 177.43 177.23 1c82 h GLY 183 N 0.71 0.00 0.58 2.83 0.00 -0.71 -1.28 103.07 105.21 1c82 h GLY 183 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.14 1c82 h GLY 183 CO -0.02 0.00 -1.84 -2.22 0.00 0.00 0.00 176.54 172.46 1c82 h ILE 184 N 0.00 0.73 0.00 2.60 2.04 -0.65 -2.96 117.51 119.27 1c82 h ILE 184 Ca -0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.51 1c82 h ILE 184 Cb 0.64 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 1c82 h ILE 184 CO 0.03 0.81 -0.33 2.30 0.00 0.00 0.00 178.15 180.96 1c82 n ILE 185 N -3.65 0.17 0.03 -0.67 -5.35 0.07 -4.62 119.36 105.33 1c82 n ILE 185 Ca -0.31 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1c82 n ILE 185 Cb 1.00 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 1c82 n ILE 185 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1c82 n ALA 186 N -1.62 3.00 -2.45 -1.28 0.00 -0.72 -4.85 120.51 112.60 1c82 n ALA 186 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 1c82 n ALA 186 Cb 0.37 0.05 0.01 0.00 0.00 0.00 0.00 19.45 19.88 1c82 n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c82 n GLY 187 N 1.68 0.21 0.35 0.00 0.00 -0.56 -2.03 105.19 104.83 1c82 n GLY 187 Ca 0.00 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.60 1c82 n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1c82 h ASN 188 N -0.39 0.69 -0.02 1.61 2.35 -1.86 -0.73 115.58 117.23 1c82 h ASN 188 Ca -0.19 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1c82 h ASN 188 Cb 1.13 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 1c82 h ASN 188 CO 0.21 0.45 0.05 0.06 -1.65 0.00 0.00 177.43 176.54 1c82 h GLN 189 N 0.79 0.00 -0.01 0.81 3.07 -1.92 -0.69 115.11 117.14 1c82 h GLN 189 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.05 1c82 h GLN 189 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1c82 h GLN 189 CO -0.10 0.00 -0.21 0.66 0.09 0.00 0.00 178.83 179.27 1c82 n TYR 190 N -3.46 0.00 -1.93 0.06 4.01 -0.28 -4.97 117.16 110.59 1c82 n TYR 190 Ca -0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.34 1c82 n TYR 190 Cb 0.13 -0.05 0.03 0.00 -0.31 0.00 0.00 39.34 39.14 1c82 n TYR 190 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1c82 s TYR 191 N -2.30 2.38 -0.19 -0.72 5.04 -0.27 -4.95 117.35 116.35 1c82 s TYR 191 Ca 0.27 1.46 -0.05 0.00 -2.44 0.00 0.00 57.07 56.31 1c82 s TYR 191 Cb 0.20 -3.62 0.09 0.00 0.35 0.00 0.00 41.96 38.98 1c82 s TYR 191 CO 0.45 -2.47 0.33 0.34 -1.34 0.00 0.00 175.55 172.86 1c82 s ASP 192 N -1.28 0.33 0.49 4.32 2.15 -1.26 -5.04 116.67 116.38 1c82 s ASP 192 Ca 0.74 0.47 0.23 0.00 0.43 0.00 0.00 52.55 54.42 1c82 s ASP 192 Cb -0.35 0.92 1.27 0.00 -0.30 0.00 0.00 42.92 44.46 1c82 s ASP 192 CO 0.40 -0.27 2.02 0.77 -0.17 0.00 0.00 175.17 177.92 1c82 h SER 193 N 8.24 0.00 0.89 -0.34 4.64 -1.97 -1.04 113.55 123.96 1c82 h SER 193 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1c82 h SER 193 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1c82 h SER 193 CO 0.19 0.16 0.00 0.29 -0.87 0.00 0.00 176.83 176.60 1c82 n LYS 194 N -3.79 0.01 -2.86 4.77 5.02 -1.26 -4.60 118.16 115.45 1c82 n LYS 194 Ca -0.02 0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 1c82 n LYS 194 Cb 0.27 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 1c82 n LYS 194 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1c82 s ASN 195 N -2.99 6.43 0.13 4.39 3.84 -0.39 -4.96 114.94 121.40 1c82 s ASN 195 Ca 0.13 -0.07 -0.24 0.00 0.21 0.00 0.00 52.86 52.89 1c82 s ASN 195 Cb 0.17 -2.43 -0.01 0.00 -0.55 0.00 0.00 41.25 38.42 1c82 s ASN 195 CO 0.47 -1.07 1.64 0.44 -2.79 0.00 0.00 177.10 175.79 1c82 h ASP 196 N 9.13 -0.73 -0.82 -4.21 5.19 -1.84 0.15 116.42 123.29 1c82 h ASP 196 Ca -0.25 0.12 0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1c82 h ASP 196 Cb 1.08 0.32 -0.04 0.00 0.18 0.00 0.00 39.33 40.87 1c82 h ASP 196 CO 1.03 -0.29 0.54 1.56 -3.12 0.00 0.00 179.24 178.96 1c82 h GLN 197 N -0.31 1.08 -0.13 3.56 1.08 -1.95 -1.87 115.11 116.58 1c82 h GLN 197 Ca 0.10 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1c82 h GLN 197 Cb 0.45 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1c82 h GLN 197 CO -0.29 0.72 0.02 0.52 -0.95 0.00 0.00 178.83 178.84 1c82 h MET 198 N 1.11 0.21 -0.20 1.46 2.86 -1.76 -2.70 114.93 115.91 1c82 h MET 198 Ca 0.30 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.94 1c82 h MET 198 Cb -0.12 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1c82 h MET 198 CO -0.06 0.40 0.15 0.00 1.06 0.00 0.00 176.91 178.46 1c82 h ALA 199 N 0.80 2.16 -0.38 6.32 0.00 -0.52 -0.39 119.26 127.25 1c82 h ALA 199 Ca 0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1c82 h ALA 199 Cb 0.29 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1c82 h ALA 199 CO 0.00 -0.25 -0.39 -0.22 0.00 0.00 0.00 179.25 178.38 1c82 h LYS 200 N 0.00 0.94 -0.21 0.00 3.64 -1.02 0.32 116.57 120.24 1c82 h LYS 200 Ca 0.10 -0.50 -0.20 0.00 -1.27 0.00 0.00 60.65 58.78 1c82 h LYS 200 Cb 0.39 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1c82 h LYS 200 CO -0.00 1.16 -0.65 1.25 -2.27 0.00 0.00 179.45 178.93 1c82 h LEU 201 N 0.77 0.90 -0.44 5.20 5.85 -1.16 -2.09 115.31 124.34 1c82 h LEU 201 Ca 0.06 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1c82 h LEU 201 Cb 0.99 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1c82 h LEU 201 CO 0.10 1.32 0.29 -1.13 -0.34 0.00 0.00 178.44 178.68 1c82 h ASN 202 N 0.58 0.51 -0.15 1.25 -0.73 -1.00 -0.93 115.58 115.11 1c82 h ASN 202 Ca -0.02 -0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.10 1c82 h ASN 202 Cb 1.26 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.71 1c82 h ASN 202 CO 0.14 0.38 0.02 -0.61 -0.37 0.00 0.00 177.43 176.99 1c82 h GLN 203 N 0.60 0.36 -0.29 6.67 4.15 -0.82 0.91 115.11 126.67 1c82 h GLN 203 Ca 0.16 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.35 1c82 h GLN 203 Cb -0.05 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 1c82 h GLN 203 CO -0.03 0.37 -0.52 1.49 -1.93 0.00 0.00 178.83 178.21 1c82 h GLU 204 N 0.35 0.85 -0.20 1.69 4.81 -0.66 -0.88 114.58 120.53 1c82 h GLU 204 Ca 0.08 -0.52 -0.13 0.00 -0.13 0.00 0.00 59.36 58.67 1c82 h GLU 204 Cb 0.21 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1c82 h GLU 204 CO 0.00 1.15 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.95 1c82 h LEU 205 N 0.66 0.50 -0.04 1.64 3.38 -0.62 -1.33 115.31 119.50 1c82 h LEU 205 Ca 0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1c82 h LEU 205 Cb 1.12 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1c82 h LEU 205 CO 0.12 0.86 0.02 -0.33 0.09 0.00 0.00 178.44 179.20 1c82 h GLU 206 N 0.39 0.06 -0.32 1.13 4.39 -0.65 -1.28 114.58 118.30 1c82 h GLU 206 Ca 0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1c82 h GLU 206 Cb 0.89 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1c82 h GLU 206 CO 0.08 0.16 0.21 0.78 -1.16 0.00 0.00 179.01 179.07 1c82 h GLY 207 N -0.05 0.44 0.91 -3.84 0.00 -0.94 -2.02 103.07 97.58 1c82 h GLY 207 Ca 0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1c82 h GLY 207 CO -0.00 0.16 -0.30 0.50 0.00 0.00 0.00 176.54 176.90 1c82 h LYS 208 N 0.42 0.61 -0.32 4.80 1.57 -0.79 -2.79 116.57 120.08 1c82 h LYS 208 Ca 0.12 -0.35 -0.13 0.00 -1.87 0.00 0.00 60.65 58.41 1c82 h LYS 208 Cb -0.04 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1c82 h LYS 208 CO -0.03 0.95 -0.35 0.28 -0.57 0.00 0.00 179.45 179.74 1c82 h VAL 209 N 0.30 1.28 -0.27 0.50 2.07 -0.97 -2.50 116.25 116.67 1c82 h VAL 209 Ca 0.03 -1.50 -0.08 0.00 0.82 0.00 0.00 66.70 65.97 1c82 h VAL 209 Cb 0.88 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1c82 h VAL 209 CO 0.07 0.49 -0.16 0.00 0.02 0.00 0.00 177.57 177.99 1c82 h ALA 210 N 1.01 1.22 -0.01 1.67 0.00 -1.41 -0.13 119.26 121.61 1c82 h ALA 210 Ca 0.06 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1c82 h ALA 210 Cb 0.88 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1c82 h ALA 210 CO 0.08 0.51 -0.86 -0.44 0.00 0.00 0.00 179.25 178.53 1c82 h ASP 211 N 0.43 0.34 0.08 0.00 3.32 -1.41 -2.57 116.42 116.60 1c82 h ASP 211 Ca 0.08 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1c82 h ASP 211 Cb 0.54 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1c82 h ASP 211 CO 0.03 1.05 -0.04 0.28 -1.72 0.00 0.00 179.24 178.85 1c82 h SER 212 N 0.15 -0.09 0.05 6.45 0.02 -1.12 -2.55 113.55 116.47 1c82 h SER 212 Ca -0.05 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1c82 h SER 212 Cb 1.48 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 64.04 1c82 h SER 212 CO 0.14 0.45 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.15 1c82 h LEU 213 N -0.66 0.01 0.00 5.07 3.38 -1.12 0.40 115.31 122.40 1c82 h LEU 213 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1c82 h LEU 213 Cb 0.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1c82 h LEU 213 CO 0.02 0.07 -0.43 0.77 0.09 0.00 0.00 178.44 178.96 1c82 h SER 214 N 0.01 0.00 0.00 -0.43 4.64 -1.47 -3.32 113.55 112.98 1c82 h SER 214 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1c82 h SER 214 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1c82 h SER 214 CO 0.01 0.04 -0.90 -1.54 -0.87 0.00 0.00 176.83 173.57 1c82 n SER 215 N -2.43 1.58 -4.75 4.97 3.41 -0.90 -4.99 113.62 110.52 1c82 n SER 215 Ca 0.03 -0.38 -0.42 0.00 -0.26 0.00 0.00 58.87 57.85 1c82 n SER 215 Cb 0.47 1.20 -0.01 0.00 -0.26 0.00 0.00 64.21 65.62 1c82 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c82 n ILE 216 N -1.50 1.50 -2.32 -1.33 3.06 0.14 -4.76 119.36 114.13 1c82 n ILE 216 Ca 0.00 -0.37 -0.43 0.00 -2.50 0.00 0.00 62.75 59.45 1c82 n ILE 216 Cb 0.19 -1.88 -0.02 0.00 0.54 0.00 0.00 39.64 38.46 1c82 n ILE 216 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1c82 s SER 217 N 0.15 6.74 -0.05 9.51 0.01 -0.38 -4.84 113.70 124.85 1c82 s SER 217 Ca 0.59 1.61 -0.02 0.00 1.31 0.00 0.00 55.95 59.44 1c82 s SER 217 Cb -0.51 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.13 1c82 s SER 217 CO 0.56 -0.95 2.49 -0.24 0.41 0.00 0.00 173.24 175.50 1c82 n SER 218 N 7.26 5.47 -4.58 2.44 2.88 -1.26 -4.92 113.62 120.91 1c82 n SER 218 Ca 0.15 -2.53 -0.34 0.00 -1.33 0.00 0.00 58.87 54.83 1c82 n SER 218 Cb 0.45 -1.21 0.11 0.00 -0.75 0.00 0.00 64.21 62.81 1c82 n SER 218 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c82 n GLN 219 N 1.64 0.16 -1.83 -1.46 10.64 -1.26 -4.90 117.38 120.37 1c82 n GLN 219 Ca 0.17 0.12 -0.37 0.00 -1.83 0.00 0.00 57.00 55.09 1c82 n GLN 219 Cb 0.63 -2.17 0.01 0.00 -0.86 0.00 0.00 30.24 27.85 1c82 n GLN 219 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1c82 n ALA 220 N -3.06 6.50 -2.02 2.61 0.00 -1.26 -4.62 120.51 118.67 1c82 n ALA 220 Ca 0.11 -3.86 -0.01 0.00 0.00 0.00 0.00 53.44 49.68 1c82 n ALA 220 Cb 0.51 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1c82 n ALA 220 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1c82 n ASP 221 N -0.15 -3.81 -3.59 0.00 8.00 -1.26 -5.06 116.55 110.68 1c82 n ASP 221 Ca 0.53 -0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.71 1c82 n ASP 221 Cb 0.31 -2.32 0.18 0.00 -0.02 0.00 0.00 41.12 39.26 1c82 n ASP 221 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1c82 n ARG 222 N -1.42 -1.21 -0.23 -1.24 0.63 -1.26 -4.98 116.66 106.94 1c82 n ARG 222 Ca -0.00 -1.72 -0.08 0.00 -0.92 0.00 0.00 57.85 55.13 1c82 n ARG 222 Cb 0.51 -1.17 0.05 0.00 0.45 0.00 0.00 32.46 32.30 1c82 n ARG 222 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1c82 h ILE 223 N -1.71 1.26 -4.47 5.15 1.08 -2.01 -3.47 117.51 113.35 1c82 h ILE 223 Ca -0.36 -1.06 -0.27 0.00 -0.39 0.00 0.00 64.86 62.78 1c82 h ILE 223 Cb 1.00 0.67 -0.15 0.00 -3.07 0.00 0.00 36.82 35.27 1c82 h ILE 223 CO 0.25 0.40 -0.61 -0.72 -0.69 0.00 0.00 178.15 176.78 1c82 s TYR 224 N -5.16 1.25 -0.15 1.37 -0.85 -1.26 -5.06 117.35 107.49 1c82 s TYR 224 Ca -0.12 -1.36 -0.08 0.00 -0.52 0.00 0.00 57.07 54.99 1c82 s TYR 224 Cb 0.14 -0.62 -0.24 0.00 0.38 0.00 0.00 41.96 41.62 1c82 s TYR 224 CO 0.85 -0.60 0.27 1.28 -1.52 0.00 0.00 175.55 175.83 1c82 n LEU 225 N -0.32 2.56 -3.83 -3.49 4.77 -1.26 -4.66 117.00 110.76 1c82 n LEU 225 Ca 0.02 0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 55.97 1c82 n LEU 225 Cb 0.66 -1.08 -0.17 0.00 -2.33 0.00 0.00 43.42 40.50 1c82 n LEU 225 CO 0.34 0.78 -0.40 0.26 -1.33 0.00 0.00 177.39 177.03 1c82 s TRP 226 N -2.53 0.91 0.28 -1.77 0.51 -1.26 -1.24 118.94 113.83 1c82 s TRP 226 Ca -0.25 -0.33 0.01 0.00 -2.12 0.00 0.00 56.10 53.42 1c82 s TRP 226 Cb 0.07 -0.89 0.59 0.00 -0.81 0.00 0.00 33.47 32.43 1c82 s TRP 226 CO 0.72 -0.35 1.78 1.49 -0.51 0.00 0.00 176.95 180.08 1c82 h GLU 227 N 8.04 0.69 -0.73 4.98 4.22 -1.90 -0.07 114.58 129.81 1c82 h GLU 227 Ca -0.26 -0.04 0.10 0.00 0.08 0.00 0.00 59.36 59.24 1c82 h GLU 227 Cb 1.13 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 1c82 h GLU 227 CO 0.34 0.46 0.48 -0.22 -2.18 0.00 0.00 179.01 177.89 1c82 h LYS 228 N 0.71 0.59 -2.13 1.92 1.63 -1.97 -2.64 116.57 114.69 1c82 h LYS 228 Ca 0.50 -0.04 -0.59 0.00 -0.85 0.00 0.00 60.65 59.68 1c82 h LYS 228 Cb 0.70 -0.13 -0.42 0.00 -0.60 0.00 0.00 32.23 31.78 1c82 h LYS 228 CO -0.35 0.39 -0.68 1.19 -3.45 0.00 0.00 179.45 176.55 1c82 n PHE 229 N -4.49 3.81 -0.10 1.91 3.72 -0.09 -4.86 117.46 117.36 1c82 n PHE 229 Ca 0.12 -3.82 -0.19 0.00 -0.05 0.00 0.00 57.45 53.51 1c82 n PHE 229 Cb 0.35 -0.41 -0.10 0.00 -0.94 0.00 0.00 39.48 38.39 1c82 n PHE 229 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1c82 h SER 230 N 2.91 0.00 -0.56 4.37 4.64 -1.03 -3.42 113.55 120.46 1c82 h SER 230 Ca 0.16 -0.42 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 1c82 h SER 230 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1c82 h SER 230 CO 0.81 1.37 0.29 0.21 -0.87 0.00 0.00 176.83 178.64 1c82 s ASN 231 N -6.67 3.97 0.00 4.97 2.47 -1.26 -4.77 114.94 113.65 1c82 s ASN 231 Ca -0.26 0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.24 1c82 s ASN 231 Cb 0.05 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 1c82 s ASN 231 CO 0.53 -3.73 0.57 -1.22 -3.72 0.00 0.00 177.10 169.53 1c82 n TYR 232 N 18.26 0.00 0.06 0.43 4.01 -1.26 -1.76 117.16 136.90 1c82 n TYR 232 Ca 0.45 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 58.20 1c82 n TYR 232 Cb 0.45 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.41 1c82 n TYR 232 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1c82 h LYS 233 N 0.06 0.00 -5.19 -0.72 1.63 -1.89 -3.40 116.57 107.05 1c82 h LYS 233 Ca 0.00 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 59.14 1c82 h LYS 233 Cb 0.05 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 31.52 1c82 h LYS 233 CO 0.00 0.33 0.46 0.99 -3.45 0.00 0.00 179.45 177.78 1c82 s THR 234 N -2.95 4.50 0.50 1.00 2.01 -0.72 -4.19 115.64 115.80 1c82 s THR 234 Ca -0.01 -0.66 0.32 0.00 0.31 0.00 0.00 61.69 61.65 1c82 s THR 234 Cb 0.08 -4.64 0.52 0.00 0.01 0.00 0.00 72.50 68.47 1c82 s THR 234 CO 0.80 -1.37 1.77 0.77 -0.69 0.00 0.00 174.62 175.90 1c82 h SER 235 N 9.39 0.13 -0.69 3.53 4.64 -1.79 0.99 113.55 129.75 1c82 h SER 235 Ca -0.24 0.03 0.20 0.00 -0.47 0.00 0.00 61.79 61.31 1c82 h SER 235 Cb 1.07 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.14 1c82 h SER 235 CO 1.15 0.01 0.53 0.00 -0.87 0.00 0.00 176.83 177.65 1c82 h ALA 236 N 1.46 2.60 0.00 5.18 0.00 -1.91 0.12 119.26 126.71 1c82 h ALA 236 Ca 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1c82 h ALA 236 Cb 2.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.00 1c82 h ALA 236 CO -0.11 -0.88 0.00 -0.91 0.00 0.00 0.00 179.25 177.35 1c82 h ASN 237 N 0.00 0.00 -0.02 0.00 -0.26 -1.08 -2.10 115.58 112.11 1c82 h ASN 237 Ca 0.33 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 56.03 1c82 h ASN 237 Cb 1.38 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.65 1c82 h ASN 237 CO -0.00 0.00 -0.14 -0.07 -1.06 0.00 0.00 177.43 176.16 1c82 h LEU 238 N 0.00 0.17 -0.49 1.61 4.07 -1.12 -2.71 115.31 116.83 1c82 h LEU 238 Ca 0.00 -0.68 -0.06 0.00 0.08 0.00 0.00 57.88 57.23 1c82 h LEU 238 Cb 0.70 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 1c82 h LEU 238 CO 0.00 0.82 0.09 0.74 -1.08 0.00 0.00 178.44 179.00 1c82 h THR 239 N -0.47 1.25 -0.79 0.22 2.02 -1.57 -2.25 112.91 111.32 1c82 h THR 239 Ca -0.01 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 1c82 h THR 239 Cb 0.82 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 1c82 h THR 239 CO 0.03 0.32 0.42 0.00 0.37 0.00 0.00 175.52 176.66 1c82 h ALA 240 N 0.97 1.25 -0.01 6.16 0.00 -1.47 -1.39 119.26 124.77 1c82 h ALA 240 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c82 h ALA 240 Cb 0.38 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1c82 h ALA 240 CO 0.01 0.60 0.00 1.15 0.00 0.00 0.00 179.25 181.01 1c82 h THR 241 N 1.11 1.25 0.00 0.00 2.02 -1.27 -2.83 112.91 113.18 1c82 h THR 241 Ca 0.28 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1c82 h THR 241 Cb 0.05 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1c82 h THR 241 CO -0.04 0.19 -0.27 1.88 0.37 0.00 0.00 175.52 177.65 1c82 h TYR 242 N -0.29 0.00 0.00 3.16 0.05 -1.30 -2.16 116.97 116.43 1c82 h TYR 242 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1c82 h TYR 242 Cb 0.31 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1c82 h TYR 242 CO 0.03 0.27 -0.42 0.00 -1.05 0.00 0.00 178.16 176.99 1c82 h ARG 243 N 0.00 0.00 -0.31 4.88 3.08 -1.18 -1.56 114.38 119.29 1c82 h ARG 243 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1c82 h ARG 243 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1c82 h ARG 243 CO 0.04 0.42 -0.26 0.87 -1.07 0.00 0.00 179.97 179.97 1c82 h LYS 244 N 0.00 0.61 -0.13 0.04 1.57 -1.14 -1.66 116.57 115.87 1c82 h LYS 244 Ca -0.00 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 1c82 h LYS 244 Cb 0.83 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1c82 h LYS 244 CO 0.06 0.82 -0.55 -0.07 -0.57 0.00 0.00 179.45 179.14 1c82 h LEU 245 N 0.53 0.41 -0.74 2.94 3.38 -1.33 -2.49 115.31 118.02 1c82 h LEU 245 Ca 0.07 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1c82 h LEU 245 Cb 0.73 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1c82 h LEU 245 CO 0.06 0.88 0.23 -0.08 0.09 0.00 0.00 178.44 179.61 1c82 h GLU 246 N 0.29 1.15 -0.68 1.13 4.81 -0.88 -0.21 114.58 120.19 1c82 h GLU 246 Ca 0.00 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 1c82 h GLU 246 Cb 1.05 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1c82 h GLU 246 CO 0.09 0.98 0.33 0.93 -0.73 0.00 0.00 179.01 180.61 1c82 h GLU 247 N 1.10 0.96 -0.47 1.92 5.08 -1.10 -0.64 114.58 121.44 1c82 h GLU 247 Ca 0.24 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 1c82 h GLU 247 Cb 0.31 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1c82 h GLU 247 CO -0.01 0.74 -0.21 0.52 -1.00 0.00 0.00 179.01 179.05 1c82 h MET 248 N 0.96 0.96 -0.16 2.33 2.86 -0.96 -2.74 114.93 118.18 1c82 h MET 248 Ca 0.24 -0.40 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1c82 h MET 248 Cb 0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1c82 h MET 248 CO -0.03 1.07 -0.22 0.00 1.06 0.00 0.00 176.91 178.79 1c82 h ALA 249 N 0.92 1.34 -0.39 6.32 0.00 -0.35 -1.28 119.26 125.82 1c82 h ALA 249 Ca 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1c82 h ALA 249 Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1c82 h ALA 249 CO 0.06 0.45 -0.03 0.87 0.00 0.00 0.00 179.25 180.60 1c82 h LYS 250 N 0.25 0.71 0.00 0.00 1.57 -0.89 -3.13 116.57 115.09 1c82 h LYS 250 Ca 0.04 -0.24 -0.23 0.00 -1.87 0.00 0.00 60.65 58.35 1c82 h LYS 250 Cb 0.53 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1c82 h LYS 250 CO 0.04 0.82 -0.96 1.96 -0.57 0.00 0.00 179.45 180.74 1c82 h GLN 251 N 0.52 0.44 0.00 3.15 1.08 -1.30 -3.13 115.11 115.88 1c82 h GLN 251 Ca 0.11 -0.48 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 1c82 h GLN 251 Cb 0.52 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1c82 h GLN 251 CO 0.03 1.13 0.00 0.28 -0.95 0.00 0.00 178.83 179.32 1c82 h VAL 252 N 0.25 0.00 -0.42 -0.54 2.07 -1.27 -1.05 116.25 115.29 1c82 h VAL 252 Ca -0.09 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1c82 h VAL 252 Cb 1.60 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1c82 h VAL 252 CO 0.17 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.11 1c82 n THR 253 N -3.00 1.25 -3.55 2.57 -2.24 -1.18 -1.78 114.28 106.34 1c82 n THR 253 Ca -0.02 -1.14 -0.41 0.00 -2.27 0.00 0.00 64.05 60.21 1c82 n THR 253 Cb 0.14 0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.65 1c82 n THR 253 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1c82 s ASN 254 N -1.12 5.73 0.60 3.42 3.04 -0.40 -4.91 114.94 121.30 1c82 s ASN 254 Ca 0.32 -1.60 0.29 0.00 0.04 0.00 0.00 52.86 51.90 1c82 s ASN 254 Cb 0.19 -2.02 1.34 0.00 -1.54 0.00 0.00 41.25 39.22 1c82 s ASN 254 CO 0.18 -0.60 1.74 -0.65 -3.04 0.00 0.00 177.10 174.72 1c82 h PRO 255 N 8.48 0.00 -0.01 0.43 0.11 -1.89 0.16 132.00 139.27 1c82 h PRO 255 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1c82 h PRO 255 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1c82 h PRO 255 CO 0.81 0.00 -0.25 0.43 -0.21 0.00 0.00 178.00 178.78 1c82 n SER 256 N -3.58 1.28 -4.84 -2.05 7.64 -1.26 -4.87 113.62 105.94 1c82 n SER 256 Ca 0.13 -1.09 -0.33 0.00 1.01 0.00 0.00 58.87 58.59 1c82 n SER 256 Cb 0.91 0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 64.22 1c82 n SER 256 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1c82 s SER 257 N -2.42 6.82 0.20 6.43 0.15 0.55 -4.93 113.70 120.50 1c82 s SER 257 Ca 0.25 1.28 0.20 0.00 0.70 0.00 0.00 55.95 58.38 1c82 s SER 257 Cb 0.19 -2.37 0.88 0.00 -1.71 0.00 0.00 66.02 63.02 1c82 s SER 257 CO 0.50 -0.14 1.62 -2.11 1.20 0.00 0.00 173.24 174.31 1c82 n ARG 258 N -0.09 0.14 -0.43 5.44 1.85 -1.26 -1.63 116.66 120.67 1c82 n ARG 258 Ca 0.02 0.43 0.10 0.00 -1.00 0.00 0.00 57.85 57.40 1c82 n ARG 258 Cb 0.53 -1.79 0.32 0.00 -1.05 0.00 0.00 32.46 30.46 1c82 n ARG 258 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1c82 n TYR 259 N -2.06 1.10 -1.68 2.89 4.01 -1.26 -4.86 117.16 115.29 1c82 n TYR 259 Ca 0.02 -0.54 -0.45 0.00 -0.16 0.00 0.00 57.90 56.76 1c82 n TYR 259 Cb 0.18 -0.09 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 1c82 n TYR 259 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1c82 n TYR 260 N 1.33 2.45 -1.82 -0.72 9.36 -0.64 -1.52 117.16 125.60 1c82 n TYR 260 Ca 0.24 -0.08 -0.14 0.00 3.32 0.00 0.00 57.90 61.24 1c82 n TYR 260 Cb 0.70 -2.70 -0.04 0.00 -0.63 0.00 0.00 39.34 36.67 1c82 n TYR 260 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1c82 n GLN 261 N 6.00 -1.64 -2.15 2.98 6.02 -0.73 -4.89 117.38 122.97 1c82 n GLN 261 Ca 0.20 0.74 -0.43 0.00 -0.01 0.00 0.00 57.00 57.51 1c82 n GLN 261 Cb 0.34 -5.14 -0.03 0.00 1.02 0.00 0.00 30.24 26.44 1c82 n GLN 261 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1c82 s ASP 262 N -2.10 6.71 0.27 1.08 -1.08 -0.57 -4.91 116.67 116.06 1c82 s ASP 262 Ca 0.00 1.97 0.00 0.00 -0.52 0.00 0.00 52.55 54.00 1c82 s ASP 262 Cb 0.00 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.50 1c82 s ASP 262 CO 0.00 -0.93 1.76 1.05 0.52 0.00 0.00 175.17 177.57 1c82 h GLU 263 N 9.31 0.59 0.00 4.34 -0.00 -1.90 -1.37 114.58 125.55 1c82 h GLU 263 Ca -0.34 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.36 58.89 1c82 h GLU 263 Cb 1.15 -0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 29.75 1c82 h GLU 263 CO 0.97 0.39 -0.45 1.79 -0.00 0.00 0.00 179.01 181.71 1c82 h THR 264 N 0.61 1.05 0.09 -1.06 1.35 -1.99 -2.07 112.91 110.89 1c82 h THR 264 Ca 0.49 -1.73 -0.28 0.00 -0.55 0.00 0.00 66.41 64.33 1c82 h THR 264 Cb 0.73 2.02 0.02 0.00 -1.73 0.00 0.00 68.15 69.18 1c82 h THR 264 CO -0.38 0.44 -1.17 0.58 -0.25 0.00 0.00 175.52 174.74 1c82 h VAL 265 N 0.00 1.35 -0.69 6.82 2.07 -1.66 0.14 116.25 124.27 1c82 h VAL 265 Ca -0.00 -2.56 -0.04 0.00 0.82 0.00 0.00 66.70 64.92 1c82 h VAL 265 Cb 0.98 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 1c82 h VAL 265 CO 0.06 0.77 0.26 0.58 0.02 0.00 0.00 177.57 179.26 1c82 h VAL 266 N 0.23 1.24 -0.01 2.57 2.07 -1.26 -1.16 116.25 119.93 1c82 h VAL 266 Ca -0.15 -0.77 -0.25 0.00 0.82 0.00 0.00 66.70 66.34 1c82 h VAL 266 Cb 1.85 0.43 0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1c82 h VAL 266 CO 0.21 0.31 -0.99 -0.09 0.02 0.00 0.00 177.57 177.03 1c82 h ARG 267 N 1.01 0.64 -0.69 1.57 2.43 -1.35 -2.11 114.38 115.87 1c82 h ARG 267 Ca 0.23 -0.67 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1c82 h ARG 267 Cb 0.21 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1c82 h ARG 267 CO -0.02 1.27 0.39 1.15 -1.51 0.00 0.00 179.97 181.25 1c82 h THR 268 N 0.37 1.21 -0.49 0.20 2.02 -0.73 0.12 112.91 115.62 1c82 h THR 268 Ca -0.11 -0.52 -0.13 0.00 0.77 0.00 0.00 66.41 66.42 1c82 h THR 268 Cb 1.64 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1c82 h THR 268 CO 0.19 0.23 -0.21 0.58 0.37 0.00 0.00 175.52 176.68 1c82 h VAL 269 N 0.95 1.27 -0.34 3.16 2.07 -1.22 -0.71 116.25 121.42 1c82 h VAL 269 Ca 0.25 -1.37 -0.17 0.00 0.82 0.00 0.00 66.70 66.23 1c82 h VAL 269 Cb 0.02 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1c82 h VAL 269 CO -0.04 0.48 -0.44 0.03 0.02 0.00 0.00 177.57 177.61 1c82 h ARG 270 N 0.86 0.88 0.00 1.57 3.08 -1.00 -2.35 114.38 117.43 1c82 h ARG 270 Ca 0.11 -0.49 -0.16 0.00 0.07 0.00 0.00 59.98 59.51 1c82 h ARG 270 Cb 0.79 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1c82 h ARG 270 CO 0.07 1.13 -0.78 -0.44 -1.07 0.00 0.00 179.97 178.88 1c82 h ASP 271 N 0.70 0.00 0.01 7.04 5.19 -0.77 -2.66 116.42 125.93 1c82 h ASP 271 Ca 0.04 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.31 1c82 h ASP 271 Cb 1.03 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 1c82 h ASP 271 CO 0.10 0.78 -0.47 0.28 -3.12 0.00 0.00 179.24 176.81 1c82 h SER 272 N 0.00 0.58 -0.16 6.45 0.02 -1.08 -0.26 113.55 119.10 1c82 h SER 272 Ca -0.01 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 1c82 h SER 272 Cb 1.40 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1c82 h SER 272 CO 0.10 0.96 -0.09 0.24 -1.14 0.00 0.00 176.83 176.91 1c82 h MET 273 N 0.43 0.35 -0.89 3.45 2.86 -1.38 -0.66 114.93 119.08 1c82 h MET 273 Ca 0.03 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1c82 h MET 273 Cb 0.98 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.59 1c82 h MET 273 CO 0.09 0.67 0.49 1.49 1.06 0.00 0.00 176.91 180.71 1c82 h GLU 274 N 0.01 1.24 0.16 1.72 4.57 -1.39 -0.75 114.58 120.15 1c82 h GLU 274 Ca 0.03 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1c82 h GLU 274 Cb 0.57 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1c82 h GLU 274 CO 0.03 0.90 -0.08 2.35 -1.18 0.00 0.00 179.01 181.03 1c82 h TRP 275 N 1.24 -0.20 -0.64 0.92 7.01 -0.93 -1.71 115.95 121.64 1c82 h TRP 275 Ca 0.31 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.33 1c82 h TRP 275 Cb 0.02 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 1c82 h TRP 275 CO 0.01 0.18 0.42 0.52 -2.79 0.00 0.00 178.44 176.78 1c82 h MET 276 N -0.63 0.78 0.00 2.65 2.86 -1.05 0.19 114.93 119.72 1c82 h MET 276 Ca -0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1c82 h MET 276 Cb 0.47 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1c82 h MET 276 CO 0.04 0.52 0.00 1.58 1.06 0.00 0.00 176.91 180.11 1c82 n HIS 277 N -4.45 0.66 -0.10 -0.22 -0.00 -0.29 -0.01 115.22 110.81 1c82 n HIS 277 Ca 0.07 0.23 -0.19 0.00 -0.00 0.00 0.00 57.72 57.83 1c82 n HIS 277 Cb 0.09 -0.88 -0.11 0.00 -0.00 0.00 0.00 29.99 29.09 1c82 n HIS 277 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1c82 h LYS 278 N 0.00 0.00 0.00 1.57 1.63 0.31 -3.42 116.57 116.66 1c82 h LYS 278 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1c82 h LYS 278 Cb 0.47 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1c82 h LYS 278 CO 0.00 0.95 -0.10 0.72 -3.45 0.00 0.00 179.45 177.57 1c82 n HIS 279 N -4.48 0.00 0.11 1.91 -0.00 -0.80 -4.93 115.22 107.02 1c82 n HIS 279 Ca -0.26 -0.57 0.00 0.00 -0.00 0.00 0.00 57.72 56.89 1c82 n HIS 279 Cb 0.62 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 1c82 n HIS 279 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1c82 n VAL 280 N -0.77 0.30 -3.96 1.59 0.31 -0.49 -5.05 118.33 110.25 1c82 n VAL 280 Ca 0.07 0.10 -0.31 0.00 -0.01 0.00 0.00 64.34 64.19 1c82 n VAL 280 Cb 0.54 -0.79 -0.15 0.00 -0.91 0.00 0.00 33.84 32.53 1c82 n VAL 280 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1c82 s TYR 281 N -2.00 3.31 0.24 3.52 5.04 0.98 -4.98 117.35 123.46 1c82 s TYR 281 Ca 0.00 -2.72 -0.11 0.00 -2.44 0.00 0.00 57.07 51.81 1c82 s TYR 281 Cb 0.00 -2.64 -0.01 0.00 0.35 0.00 0.00 41.96 39.66 1c82 s TYR 281 CO 0.00 -0.93 0.42 0.54 -1.34 0.00 0.00 175.55 174.24 1c82 s ASN 282 N 1.06 -0.03 0.45 4.32 4.22 -1.26 -4.21 114.94 119.49 1c82 s ASN 282 Ca 0.10 -1.02 0.14 0.00 -2.14 0.00 0.00 52.86 49.95 1c82 s ASN 282 Cb -0.19 0.56 1.07 0.00 1.28 0.00 0.00 41.25 43.97 1c82 s ASN 282 CO -0.12 -1.10 2.02 0.28 -2.04 0.00 0.00 177.10 176.15 1c82 h SER 283 N 2.31 0.29 -0.03 3.54 0.02 -1.91 -1.45 113.55 116.32 1c82 h SER 283 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1c82 h SER 283 Cb 1.25 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1c82 h SER 283 CO 0.38 0.19 0.00 -0.62 -1.14 0.00 0.00 176.83 175.64 1c82 n GLU 284 N -4.47 1.11 -3.86 3.45 -0.58 -1.26 -4.82 120.64 110.22 1c82 n GLU 284 Ca 0.07 -0.13 -0.21 0.00 -0.42 0.00 0.00 57.16 56.47 1c82 n GLU 284 Cb 0.29 -1.20 -0.03 0.00 -0.57 0.00 0.00 31.44 29.94 1c82 n GLU 284 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1c82 s LYS 285 N -1.66 2.99 0.19 3.49 -0.14 -0.55 -5.13 119.74 118.93 1c82 s LYS 285 Ca 0.02 -1.07 0.09 0.00 -1.36 0.00 0.00 55.97 53.65 1c82 s LYS 285 Cb 0.01 -2.64 -0.04 0.00 -1.68 0.00 0.00 37.83 33.48 1c82 s LYS 285 CO 0.01 0.23 -0.19 -1.12 -0.76 0.00 0.00 175.35 173.53 1c82 s SER 286 N -3.99 2.90 0.20 2.83 0.01 -1.26 -4.97 113.70 109.42 1c82 s SER 286 Ca 0.38 -0.91 -0.32 0.00 1.31 0.00 0.00 55.95 56.42 1c82 s SER 286 Cb -0.08 -0.19 -0.11 0.00 0.21 0.00 0.00 66.02 65.86 1c82 s SER 286 CO 0.27 -0.02 1.64 -0.63 0.41 0.00 0.00 173.24 174.91 1c82 s ILE 287 N -2.17 2.31 -0.23 1.44 1.01 -1.26 -4.98 121.20 117.32 1c82 s ILE 287 Ca 0.19 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.05 1c82 s ILE 287 Cb -0.05 -3.14 0.07 0.00 0.01 0.00 0.00 42.46 39.34 1c82 s ILE 287 CO 0.08 0.02 0.04 -0.69 0.00 0.00 0.00 174.94 174.39 1c82 s VAL 288 N 1.03 0.72 0.00 2.92 1.01 -1.26 -5.03 120.40 119.80 1c82 s VAL 288 Ca 0.71 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1c82 s VAL 288 Cb -0.47 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1c82 s VAL 288 CO 0.33 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1c82 n GLY 289 N 4.96 0.75 3.69 4.51 0.00 -1.26 -3.65 105.19 114.18 1c82 n GLY 289 Ca -0.08 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 1c82 n GLY 289 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c82 s ASN 290 N -4.00 6.72 0.40 1.61 3.84 -1.26 -4.96 114.94 117.29 1c82 s ASN 290 Ca 0.00 0.86 0.09 0.00 0.21 0.00 0.00 52.86 54.03 1c82 s ASN 290 Cb 0.00 -2.33 0.84 0.00 -0.55 0.00 0.00 41.25 39.21 1c82 s ASN 290 CO 0.00 -0.16 1.97 4.11 -2.79 0.00 0.00 177.10 180.23 1c82 h TRP 291 N 7.15 0.30 -0.86 0.43 5.08 -1.97 -2.92 115.95 123.16 1c82 h TRP 291 Ca -0.36 -0.02 0.08 0.00 1.08 0.00 0.00 58.89 59.67 1c82 h TRP 291 Cb 1.16 -0.09 -0.07 0.00 -3.00 0.00 0.00 29.16 27.16 1c82 h TRP 291 CO 0.68 0.33 0.52 2.35 -1.28 0.00 0.00 178.44 181.04 1c82 h TRP 292 N 0.30 0.96 -0.49 0.12 7.01 -1.97 0.30 115.95 122.18 1c82 h TRP 292 Ca 0.07 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 61.01 1c82 h TRP 292 Cb 0.23 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 1c82 h TRP 292 CO 0.00 0.44 -0.06 -0.44 -2.79 0.00 0.00 178.44 175.60 1c82 h ASP 293 N 0.91 0.84 0.43 2.65 3.32 -1.86 0.56 116.42 123.28 1c82 h ASP 293 Ca 0.40 -0.24 -0.18 0.00 0.02 0.00 0.00 57.03 57.03 1c82 h ASP 293 Cb 0.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1c82 h ASP 293 CO -0.21 0.94 -0.76 1.88 -1.72 0.00 0.00 179.24 179.37 1c82 h TYR 294 N 0.78 0.36 0.00 4.55 -1.99 -1.41 -0.20 116.97 119.07 1c82 h TYR 294 Ca 0.14 -0.17 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 1c82 h TYR 294 Cb 0.55 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 1c82 h TYR 294 CO 0.03 0.92 -1.75 0.39 -0.00 0.00 0.00 178.16 177.76 1c82 n GLU 295 N -3.77 0.60 0.06 4.88 1.02 0.02 -4.51 120.64 118.94 1c82 n GLU 295 Ca -0.03 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1c82 n GLU 295 Cb 0.72 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1c82 n GLU 295 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1c82 n ILE 296 N -2.10 0.88 0.11 -3.67 5.41 0.18 -4.67 119.36 115.50 1c82 n ILE 296 Ca -0.05 0.29 -0.16 0.00 1.00 0.00 0.00 62.75 63.83 1c82 n ILE 296 Cb 0.47 -1.31 -0.10 0.00 -0.71 0.00 0.00 39.64 38.00 1c82 n ILE 296 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1c82 h GLY 297 N 0.00 -1.12 0.67 7.39 0.00 -1.24 -1.86 103.07 106.92 1c82 h GLY 297 Ca 0.00 0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 1c82 h GLY 297 CO 0.00 -0.27 -0.00 -0.84 0.00 0.00 0.00 176.54 175.43 1c82 h THR 298 N -0.74 1.25 -0.61 4.70 2.02 -1.25 -2.78 112.91 115.49 1c82 h THR 298 Ca -0.00 -0.76 0.13 0.00 0.77 0.00 0.00 66.41 66.54 1c82 h THR 298 Cb 0.75 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1c82 h THR 298 CO -0.29 0.20 0.42 -0.65 0.37 0.00 0.00 175.52 175.56 1c82 h PRO 299 N -0.33 0.26 -0.06 6.66 0.11 -1.76 -0.48 132.00 136.41 1c82 h PRO 299 Ca -0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1c82 h PRO 299 Cb 0.33 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1c82 h PRO 299 CO 0.00 0.17 -0.09 0.00 -0.21 0.00 0.00 178.00 177.88 1c82 h ARG 300 N 0.27 0.16 -0.50 1.05 3.08 -1.31 -1.02 114.38 116.11 1c82 h ARG 300 Ca 0.29 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1c82 h ARG 300 Cb 0.77 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1c82 h ARG 300 CO -0.06 0.65 0.29 0.00 -1.07 0.00 0.00 179.97 179.78 1c82 h ALA 301 N 0.51 1.58 -0.05 0.04 0.00 -1.08 0.04 119.26 120.30 1c82 h ALA 301 Ca 0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1c82 h ALA 301 Cb 0.63 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1c82 h ALA 301 CO 0.02 0.36 -0.26 0.82 0.00 0.00 0.00 179.25 180.19 1c82 h ILE 302 N 0.68 1.45 -0.14 0.00 2.04 -1.12 -1.66 117.51 118.76 1c82 h ILE 302 Ca 0.18 -1.70 0.02 0.00 1.00 0.00 0.00 64.86 64.36 1c82 h ILE 302 Cb -0.02 2.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 1c82 h ILE 302 CO -0.03 0.48 -0.01 0.78 0.00 0.00 0.00 178.15 179.37 1c82 h ASN 303 N -0.25 -0.07 -0.70 1.72 2.35 -0.88 -0.91 115.58 116.84 1c82 h ASN 303 Ca -0.02 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1c82 h ASN 303 Cb 0.92 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 1c82 h ASN 303 CO 0.05 -0.02 0.36 0.78 -1.65 0.00 0.00 177.43 176.96 1c82 h ASN 304 N 0.03 0.89 -0.25 5.81 4.21 -1.04 0.04 115.58 125.28 1c82 h ASN 304 Ca 0.06 -0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.45 1c82 h ASN 304 Cb 0.08 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 1c82 h ASN 304 CO -0.12 0.75 0.12 0.74 -1.29 0.00 0.00 177.43 177.64 1c82 h THR 305 N 0.97 1.13 -0.33 2.81 2.02 -1.00 -1.44 112.91 117.07 1c82 h THR 305 Ca 0.24 -0.37 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 1c82 h THR 305 Cb 0.07 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1c82 h THR 305 CO -0.04 0.13 -0.27 -0.07 0.37 0.00 0.00 175.52 175.64 1c82 h LEU 306 N 0.27 0.68 -0.22 2.58 3.38 -0.99 -1.81 115.31 119.20 1c82 h LEU 306 Ca 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1c82 h LEU 306 Cb 0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1c82 h LEU 306 CO -0.01 0.93 0.05 -1.28 0.09 0.00 0.00 178.44 178.21 1c82 h SER 307 N 0.58 0.33 -0.42 -0.43 0.87 -0.85 0.25 113.55 113.88 1c82 h SER 307 Ca 0.07 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1c82 h SER 307 Cb 0.76 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 1c82 h SER 307 CO 0.06 0.48 0.06 -0.07 -0.53 0.00 0.00 176.83 176.84 1c82 h LEU 308 N 0.17 0.67 -3.90 2.23 3.38 -1.24 -3.14 115.31 113.48 1c82 h LEU 308 Ca 0.07 -0.27 -0.51 0.00 0.09 0.00 0.00 57.88 57.27 1c82 h LEU 308 Cb 0.28 -0.18 -0.28 0.00 0.09 0.00 0.00 40.66 40.58 1c82 h LEU 308 CO 0.00 0.76 0.55 0.23 0.09 0.00 0.00 178.44 180.08 1c82 n MET 309 N -4.49 2.33 0.16 1.13 2.81 -0.69 -4.62 117.12 113.75 1c82 n MET 309 Ca -0.00 -3.14 0.12 0.00 -1.81 0.00 0.00 57.70 52.87 1c82 n MET 309 Cb 0.24 -2.15 0.58 0.00 -0.71 0.00 0.00 33.22 31.18 1c82 n MET 309 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1c82 h LYS 310 N 1.26 0.00 -0.01 0.03 2.10 -0.46 -1.52 116.57 117.97 1c82 h LYS 310 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 1c82 h LYS 310 Cb 2.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.53 1c82 h LYS 310 CO 1.10 0.00 -0.06 0.39 -2.00 0.00 0.00 179.45 178.88 1c82 n GLU 311 N -2.33 1.12 0.00 0.07 1.02 -1.26 -3.36 120.64 115.89 1c82 n GLU 311 Ca 0.00 -0.46 0.02 0.00 -0.02 0.00 0.00 57.16 56.70 1c82 n GLU 311 Cb 0.14 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1c82 n GLU 311 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1c82 n TYR 312 N -0.54 0.00 -4.40 -0.32 4.01 -0.58 -5.02 117.16 110.31 1c82 n TYR 312 Ca 0.18 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.65 1c82 n TYR 312 Cb 0.27 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.19 1c82 n TYR 312 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1c82 s PHE 313 N -0.52 2.37 0.29 -0.72 0.08 -1.18 -5.09 117.98 113.21 1c82 s PHE 313 Ca 0.04 -0.33 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 1c82 s PHE 313 Cb 0.03 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.26 1c82 s PHE 313 CO 0.07 0.50 0.54 -1.54 -0.10 0.00 0.00 175.22 174.69 1c82 s SER 314 N -2.70 6.43 0.28 1.36 1.04 -1.26 -4.92 113.70 113.93 1c82 s SER 314 Ca 0.22 0.67 -0.01 0.00 0.48 0.00 0.00 55.95 57.30 1c82 s SER 314 Cb -0.08 -2.12 0.46 0.00 0.10 0.00 0.00 66.02 64.38 1c82 s SER 314 CO 0.11 -0.19 1.89 0.44 0.98 0.00 0.00 173.24 176.47 1c82 h ASP 315 N 1.64 0.99 0.02 7.02 3.32 -1.97 0.12 116.42 127.56 1c82 h ASP 315 Ca -0.48 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 1c82 h ASP 315 Cb 1.19 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1c82 h ASP 315 CO 0.66 0.63 -0.23 -0.33 -1.72 0.00 0.00 179.24 178.25 1c82 h GLU 316 N 1.12 0.35 -0.25 3.56 3.07 -1.98 -1.11 114.58 119.34 1c82 h GLU 316 Ca 0.42 -0.12 -0.20 0.00 -0.50 0.00 0.00 59.36 58.96 1c82 h GLU 316 Cb 0.19 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1c82 h GLU 316 CO -0.16 0.57 -0.62 0.93 -1.40 0.00 0.00 179.01 178.32 1c82 h GLU 317 N 0.32 0.84 -0.08 2.33 5.08 -1.40 -1.17 114.58 120.50 1c82 h GLU 317 Ca 0.05 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1c82 h GLU 317 Cb 0.58 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1c82 h GLU 317 CO 0.04 1.20 0.04 0.82 -1.00 0.00 0.00 179.01 180.11 1c82 h ILE 318 N 0.63 1.12 -0.74 3.13 2.04 -0.56 0.43 117.51 123.55 1c82 h ILE 318 Ca -0.01 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1c82 h ILE 318 Cb 1.23 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 1c82 h ILE 318 CO 0.13 0.10 0.45 0.50 0.00 0.00 0.00 178.15 179.33 1c82 h LYS 319 N -0.01 1.00 -0.58 2.37 3.64 -1.21 -0.93 116.57 120.85 1c82 h LYS 319 Ca 0.03 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1c82 h LYS 319 Cb 0.13 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1c82 h LYS 319 CO -0.00 0.71 0.31 -0.22 -2.27 0.00 0.00 179.45 177.97 1c82 h LYS 320 N 1.01 0.56 0.00 1.90 3.64 -0.78 -0.62 116.57 122.29 1c82 h LYS 320 Ca 0.27 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1c82 h LYS 320 Cb -0.04 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1c82 h LYS 320 CO -0.05 0.37 0.00 0.66 -2.27 0.00 0.00 179.45 178.16 1c82 n TYR 321 N -4.84 0.09 0.62 1.91 4.01 0.10 -3.43 117.16 115.62 1c82 n TYR 321 Ca 0.06 0.03 0.07 0.00 -0.16 0.00 0.00 57.90 57.90 1c82 n TYR 321 Cb 0.15 -0.54 -0.09 0.00 -0.31 0.00 0.00 39.34 38.55 1c82 n TYR 321 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1c82 n THR 322 N -1.57 0.00 -0.30 -0.72 -2.24 -0.41 -4.52 114.28 104.51 1c82 n THR 322 Ca 0.06 -0.17 0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1c82 n THR 322 Cb 0.32 0.89 0.19 0.00 -2.10 0.00 0.00 70.33 69.63 1c82 n THR 322 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1c82 h ASP 323 N 0.00 0.68 -0.08 3.42 3.45 -1.17 0.21 116.42 122.94 1c82 h ASP 323 Ca 0.00 0.06 0.02 0.00 0.43 0.00 0.00 57.03 57.54 1c82 h ASP 323 Cb 0.41 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.10 1c82 h ASP 323 CO 0.00 0.37 0.09 1.62 -1.57 0.00 0.00 179.24 179.75 1c82 h VAL 324 N 0.78 0.51 0.10 -1.35 3.04 -1.79 0.18 116.25 117.73 1c82 h VAL 324 Ca 0.43 0.00 -0.28 0.00 -1.01 0.00 0.00 66.70 65.84 1c82 h VAL 324 Cb 0.44 0.93 0.02 0.00 -2.01 0.00 0.00 31.29 30.67 1c82 h VAL 324 CO -0.27 0.00 -1.18 0.40 -1.01 0.00 0.00 177.57 175.51 1c82 h ILE 325 N 0.00 1.37 0.00 3.17 2.04 -1.25 -2.49 117.51 120.35 1c82 h ILE 325 Ca 0.04 -2.64 -0.06 0.00 1.00 0.00 0.00 64.86 63.20 1c82 h ILE 325 Cb 0.22 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 1c82 h ILE 325 CO -0.00 0.79 -0.30 -0.33 0.00 0.00 0.00 178.15 178.31 1c82 h GLU 326 N 0.20 0.00 0.03 2.37 4.39 -0.29 0.44 114.58 121.72 1c82 h GLU 326 Ca -0.15 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.41 1c82 h GLU 326 Cb 1.86 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.52 1c82 h GLU 326 CO 0.21 0.30 -0.56 -0.22 -1.16 0.00 0.00 179.01 177.58 1c82 h LYS 327 N 0.00 0.33 0.00 2.33 3.11 -1.04 -2.86 116.57 118.44 1c82 h LYS 327 Ca -0.00 -0.39 -0.13 0.00 -2.81 0.00 0.00 60.65 57.31 1c82 h LYS 327 Cb 0.58 0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.91 1c82 h LYS 327 CO 0.04 1.09 -0.65 0.74 -2.81 0.00 0.00 179.45 177.86 1c82 h PHE 328 N -0.25 0.00 -2.09 1.91 0.04 -1.30 -3.39 116.94 111.85 1c82 h PHE 328 Ca -0.08 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.12 1c82 h PHE 328 Cb 1.31 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 39.07 1c82 h PHE 328 CO 0.17 0.61 -0.99 0.28 -0.60 0.00 0.00 178.31 177.78 1c82 n VAL 329 N -3.24 -0.10 0.08 -0.55 0.31 0.15 -4.53 118.33 110.46 1c82 n VAL 329 Ca 0.01 -4.21 0.01 0.00 -0.01 0.00 0.00 64.34 60.13 1c82 n VAL 329 Cb 0.78 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.71 1c82 n VAL 329 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1c82 h PRO 330 N 4.20 0.00 -4.79 5.55 0.13 -1.68 -3.41 132.00 132.00 1c82 h PRO 330 Ca 0.11 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.57 1c82 h PRO 330 Cb 0.84 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.71 1c82 h PRO 330 CO 0.53 0.44 -0.61 0.34 -0.23 0.00 0.00 178.00 178.47 1c82 s ASP 331 N -6.16 5.20 0.00 1.44 2.15 -1.26 -4.98 116.67 113.06 1c82 s ASP 331 Ca 0.01 -0.71 0.12 0.00 0.43 0.00 0.00 52.55 52.39 1c82 s ASP 331 Cb 0.08 -1.90 0.60 0.00 -0.30 0.00 0.00 42.92 41.40 1c82 s ASP 331 CO 0.78 -0.20 1.26 -0.81 -0.17 0.00 0.00 175.17 176.03 1c82 n PRO 332 N 4.88 0.19 -0.01 4.34 -0.04 -1.26 -2.75 135.00 140.35 1c82 n PRO 332 Ca -0.14 0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1c82 n PRO 332 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 1c82 n PRO 332 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1c82 n GLU 333 N -1.26 0.58 -4.26 0.54 1.02 -1.26 -4.87 120.64 111.12 1c82 n GLU 333 Ca 0.06 -0.16 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 1c82 n GLU 333 Cb 0.09 -1.44 -0.10 0.00 -0.02 0.00 0.00 31.44 29.96 1c82 n GLU 333 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1c82 s HIS 334 N -3.27 1.41 0.34 -0.32 3.76 -1.11 -0.55 115.29 115.55 1c82 s HIS 334 Ca -0.06 -0.63 0.08 0.00 -0.15 0.00 0.00 55.06 54.30 1c82 s HIS 334 Cb 0.12 -0.71 -0.07 0.00 1.11 0.00 0.00 32.58 33.03 1c82 s HIS 334 CO 0.77 0.17 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.70 1c82 s PHE 335 N -2.72 2.28 -1.48 1.40 0.08 0.03 -4.69 117.98 112.89 1c82 s PHE 335 Ca 0.14 -0.60 -0.05 0.00 0.12 0.00 0.00 56.93 56.55 1c82 s PHE 335 Cb -0.01 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1c82 s PHE 335 CO 0.03 0.46 0.46 0.54 -0.10 0.00 0.00 175.22 176.61 1c82 n ARG 336 N -0.76 -3.99 -0.27 0.44 1.74 -1.26 -1.51 116.66 111.05 1c82 n ARG 336 Ca -0.05 0.80 -0.04 0.00 -0.77 0.00 0.00 57.85 57.79 1c82 n ARG 336 Cb 0.64 -5.59 0.07 0.00 -1.02 0.00 0.00 32.46 26.56 1c82 n ARG 336 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1c82 h LYS 337 N -1.03 0.95 0.00 5.56 1.63 -1.83 -1.87 116.57 119.98 1c82 h LYS 337 Ca -0.49 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 1c82 h LYS 337 Cb 1.34 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1c82 h LYS 337 CO 0.55 0.63 0.00 0.25 -3.45 0.00 0.00 179.45 177.43 1c82 n THR 338 N -4.59 0.00 -3.30 1.00 -2.24 -1.26 -4.82 114.28 99.07 1c82 n THR 338 Ca 0.07 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.63 1c82 n THR 338 Cb 0.04 -0.23 0.05 0.00 -2.10 0.00 0.00 70.33 68.08 1c82 n THR 338 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1c82 s THR 339 N -2.00 1.89 -0.22 4.28 -4.23 -0.70 -4.99 115.64 109.66 1c82 s THR 339 Ca 0.14 -1.15 0.20 0.00 -1.18 0.00 0.00 61.69 59.70 1c82 s THR 339 Cb 0.06 -2.05 0.21 0.00 1.34 0.00 0.00 72.50 72.07 1c82 s THR 339 CO 0.11 0.00 1.58 0.44 -0.54 0.00 0.00 174.62 176.21 1c82 h ASP 340 N 0.30 0.00 -2.41 3.99 3.32 -1.88 -3.39 116.42 116.35 1c82 h ASP 340 Ca -0.31 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.15 1c82 h ASP 340 Cb 1.30 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.46 1c82 h ASP 340 CO 0.45 0.24 -0.95 0.54 -1.72 0.00 0.00 179.24 177.80 1c82 s ASN 341 N -6.29 1.64 0.81 6.45 4.22 -1.26 -5.13 114.94 115.38 1c82 s ASN 341 Ca 0.05 -3.09 -0.11 0.00 -2.14 0.00 0.00 52.86 47.57 1c82 s ASN 341 Cb 0.07 -0.50 0.08 0.00 1.28 0.00 0.00 41.25 42.18 1c82 s ASN 341 CO 0.69 -0.17 1.09 -2.84 -2.04 0.00 0.00 177.10 173.83 1c82 s PRO 342 N 0.01 1.94 0.12 3.55 0.02 -1.24 -4.96 135.00 134.44 1c82 s PRO 342 Ca 0.32 0.88 0.04 0.00 0.02 0.00 0.00 61.00 62.26 1c82 s PRO 342 Cb 0.03 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 1c82 s PRO 342 CO -0.19 -1.78 -0.10 -0.59 -0.33 0.00 0.00 177.00 174.01 1c82 s PHE 343 N -3.00 1.15 0.26 6.54 -0.12 -0.57 -4.95 117.98 117.30 1c82 s PHE 343 Ca 0.61 -0.73 -0.29 0.00 -0.05 0.00 0.00 56.93 56.47 1c82 s PHE 343 Cb -0.16 -0.61 -0.09 0.00 -0.63 0.00 0.00 43.02 41.52 1c82 s PHE 343 CO 0.56 0.03 1.19 0.21 -0.05 0.00 0.00 175.22 177.16 1c82 s LYS 344 N -3.35 4.51 -0.11 1.99 2.20 -1.26 -0.79 119.74 122.94 1c82 s LYS 344 Ca 0.12 1.94 -0.21 0.00 -0.36 0.00 0.00 55.97 57.45 1c82 s LYS 344 Cb 0.00 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1c82 s LYS 344 CO -0.00 0.00 0.63 0.00 -0.36 0.00 0.00 175.35 175.62 1c82 s ALA 345 N -0.76 3.42 0.21 3.13 0.00 0.29 -4.82 121.76 123.23 1c82 s ALA 345 Ca 0.49 -0.03 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 1c82 s ALA 345 Cb -0.34 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1c82 s ALA 345 CO 0.42 -0.17 0.34 -0.51 0.00 0.00 0.00 175.76 175.85 1c82 s LEU 346 N 0.98 0.69 0.00 0.00 1.43 -1.26 -4.70 118.68 115.82 1c82 s LEU 346 Ca 0.33 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1c82 s LEU 346 Cb -0.17 1.27 0.00 0.00 0.03 0.00 0.00 46.19 47.33 1c82 s LEU 346 CO 0.14 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.33 1c82 n GLY 347 N -0.31 2.55 0.20 -3.19 0.00 -1.26 -1.98 105.19 101.19 1c82 n GLY 347 Ca -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 1c82 n GLY 347 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1c82 h GLY 348 N 0.00 0.57 1.49 -0.02 0.00 -1.93 -1.43 103.07 101.74 1c82 h GLY 348 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1c82 h GLY 348 CO 0.00 -0.12 0.22 3.43 0.00 0.00 0.00 176.54 180.07 1c82 h ASN 349 N 0.16 0.60 0.04 0.19 -0.26 -1.82 -2.33 115.58 112.16 1c82 h ASN 349 Ca 0.26 -0.06 -0.11 0.00 -0.56 0.00 0.00 56.30 55.83 1c82 h ASN 349 Cb 0.38 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 1c82 h ASN 349 CO -0.39 0.53 -0.34 0.25 -1.06 0.00 0.00 177.43 176.42 1c82 h LEU 350 N 0.67 0.44 -0.68 1.61 5.85 -0.64 -2.01 115.31 120.54 1c82 h LEU 350 Ca 0.17 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1c82 h LEU 350 Cb 0.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1c82 h LEU 350 CO -0.02 0.75 -0.48 0.58 -0.34 0.00 0.00 178.44 178.93 1c82 h VAL 351 N 0.36 1.32 0.00 1.05 2.07 -0.85 -2.14 116.25 118.07 1c82 h VAL 351 Ca 0.04 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 65.81 1c82 h VAL 351 Cb 0.77 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1c82 h VAL 351 CO 0.06 0.52 -0.30 0.44 0.02 0.00 0.00 177.57 178.31 1c82 h ASP 352 N 0.35 0.00 0.42 0.57 3.32 -1.16 -0.77 116.42 119.15 1c82 h ASP 352 Ca 0.02 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1c82 h ASP 352 Cb 0.97 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1c82 h ASP 352 CO 0.08 0.30 -0.20 -0.03 -1.72 0.00 0.00 179.24 177.67 1c82 h MET 353 N 0.00 0.00 0.21 3.56 4.05 -0.69 -0.75 114.93 121.30 1c82 h MET 353 Ca -0.00 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.10 1c82 h MET 353 Cb 0.68 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.51 1c82 h MET 353 CO 0.04 0.20 -1.39 0.78 0.23 0.00 0.00 176.91 176.77 1c82 h GLY 354 N 1.03 0.50 1.73 1.39 0.00 -0.98 -1.07 103.07 105.67 1c82 h GLY 354 Ca -0.00 -1.28 0.00 0.00 0.00 0.00 0.00 47.33 46.05 1c82 h GLY 354 CO 0.03 1.12 0.00 0.54 0.00 0.00 0.00 176.54 178.23 1c82 n ARG 355 N -3.64 0.19 -0.09 4.80 1.74 -0.84 -0.88 116.66 117.93 1c82 n ARG 355 Ca -0.14 0.11 -0.15 0.00 -0.77 0.00 0.00 57.85 56.91 1c82 n ARG 355 Cb 1.07 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.97 1c82 n ARG 355 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1c82 n VAL 356 N -1.36 1.45 0.07 1.55 0.31 -0.35 -4.55 118.33 115.44 1c82 n VAL 356 Ca 0.08 -0.01 -0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1c82 n VAL 356 Cb 0.19 -2.13 -0.05 0.00 -0.91 0.00 0.00 33.84 30.94 1c82 n VAL 356 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1c82 h LYS 357 N -0.91 0.00 -0.18 5.55 1.57 -1.24 -2.41 116.57 118.94 1c82 h LYS 357 Ca -0.22 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.35 1c82 h LYS 357 Cb 1.13 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.45 1c82 h LYS 357 CO -0.13 0.44 -0.71 0.28 -0.57 0.00 0.00 179.45 178.76 1c82 h VAL 358 N 0.00 1.28 -0.01 0.50 2.07 -1.18 0.08 116.25 119.00 1c82 h VAL 358 Ca -0.10 -1.91 -0.20 0.00 0.82 0.00 0.00 66.70 65.32 1c82 h VAL 358 Cb 1.56 1.91 0.02 0.00 -1.52 0.00 0.00 31.29 33.25 1c82 h VAL 358 CO 0.06 0.61 -0.77 0.40 0.02 0.00 0.00 177.57 177.89 1c82 h ILE 359 N 0.55 1.37 -0.42 4.57 1.08 -1.69 -1.72 117.51 121.24 1c82 h ILE 359 Ca -0.04 -2.13 -0.08 0.00 -0.39 0.00 0.00 64.86 62.22 1c82 h ILE 359 Cb 1.34 2.49 -0.02 0.00 -3.07 0.00 0.00 36.82 37.56 1c82 h ILE 359 CO 0.15 0.64 -0.07 0.00 -0.69 0.00 0.00 178.15 178.18 1c82 h ALA 360 N 0.36 1.08 -0.65 1.87 0.00 -1.51 0.69 119.26 121.11 1c82 h ALA 360 Ca -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1c82 h ALA 360 Cb 1.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1c82 h ALA 360 CO 0.15 0.57 0.34 0.78 0.00 0.00 0.00 179.25 181.09 1c82 h GLY 361 N 0.97 0.96 0.99 0.00 0.00 -0.92 0.15 103.07 105.23 1c82 h GLY 361 Ca 0.12 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1c82 h GLY 361 CO 0.03 0.42 -0.37 1.41 0.00 0.00 0.00 176.54 178.03 1c82 h LEU 362 N 0.91 0.78 -0.82 3.11 3.38 -0.35 0.20 115.31 122.52 1c82 h LEU 362 Ca 0.23 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1c82 h LEU 362 Cb 0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1c82 h LEU 362 CO -0.03 1.13 0.13 -0.07 0.09 0.00 0.00 178.44 179.69 1c82 h LEU 363 N 0.44 0.96 -0.58 1.67 3.38 -0.35 -2.43 115.31 118.41 1c82 h LEU 363 Ca 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1c82 h LEU 363 Cb 0.96 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1c82 h LEU 363 CO 0.09 0.94 -0.10 0.54 0.09 0.00 0.00 178.44 180.00 1c82 n ARG 364 N -4.24 1.15 -2.94 1.13 1.74 0.49 -4.80 116.66 109.19 1c82 n ARG 364 Ca 0.05 -0.58 -0.21 0.00 -0.77 0.00 0.00 57.85 56.33 1c82 n ARG 364 Cb 0.26 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.23 1c82 n ARG 364 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1c82 n LYS 365 N -0.42 -3.81 -3.13 5.56 5.02 -0.17 -4.92 118.16 116.29 1c82 n LYS 365 Ca 0.16 0.80 -0.44 0.00 -2.02 0.00 0.00 58.31 56.81 1c82 n LYS 365 Cb 0.31 -5.57 -0.05 0.00 -0.02 0.00 0.00 35.03 29.71 1c82 n LYS 365 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1c82 s ASP 366 N -2.54 6.19 0.18 4.39 -1.08 0.54 -4.94 116.67 119.41 1c82 s ASP 366 Ca 0.25 -1.31 -0.10 0.00 -0.52 0.00 0.00 52.55 50.86 1c82 s ASP 366 Cb -0.12 -2.29 0.09 0.00 -1.46 0.00 0.00 42.92 39.14 1c82 s ASP 366 CO 0.31 -1.05 1.71 0.44 0.52 0.00 0.00 175.17 177.10 1c82 h ASP 367 N 9.13 0.94 -0.69 -0.34 3.32 -1.91 -2.26 116.42 124.60 1c82 h ASP 367 Ca -0.29 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 1c82 h ASP 367 Cb 1.09 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 1c82 h ASP 367 CO 1.06 0.90 0.35 -0.61 -1.72 0.00 0.00 179.24 179.22 1c82 h GLN 368 N 0.93 1.01 -0.36 3.56 -0.00 -1.97 -1.58 115.11 116.70 1c82 h GLN 368 Ca 0.21 -0.13 -0.03 0.00 -0.00 0.00 0.00 58.65 58.70 1c82 h GLN 368 Cb 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 27.48 27.57 1c82 h GLN 368 CO -0.01 0.77 0.12 1.49 0.00 0.00 0.00 178.83 181.20 1c82 h GLU 369 N 1.00 0.55 0.64 1.69 4.81 -1.87 -0.93 114.58 120.47 1c82 h GLU 369 Ca 0.25 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1c82 h GLU 369 Cb 0.08 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1c82 h GLU 369 CO -0.03 0.56 -0.31 0.82 -0.73 0.00 0.00 179.01 179.32 1c82 h ILE 370 N 0.43 0.37 -0.33 2.32 2.04 -0.99 -1.94 117.51 119.40 1c82 h ILE 370 Ca 0.12 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1c82 h ILE 370 Cb 0.23 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1c82 h ILE 370 CO -0.01 0.00 0.15 0.77 0.00 0.00 0.00 178.15 179.07 1c82 h SER 371 N -0.87 0.44 -0.79 1.72 4.64 -1.32 -1.33 113.55 116.05 1c82 h SER 371 Ca -0.09 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1c82 h SER 371 Cb 0.66 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.60 1c82 h SER 371 CO 0.14 0.46 0.51 0.77 -0.87 0.00 0.00 176.83 177.84 1c82 h SER 372 N 0.40 0.91 0.11 4.97 4.64 -1.20 -0.78 113.55 122.61 1c82 h SER 372 Ca 0.11 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.20 1c82 h SER 372 Cb 0.14 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1c82 h SER 372 CO -0.01 0.67 -0.75 0.74 -0.87 0.00 0.00 176.83 176.61 1c82 h THR 373 N 1.07 1.34 -0.33 2.95 2.02 -1.13 -2.29 112.91 116.55 1c82 h THR 373 Ca 0.29 -2.08 -0.16 0.00 0.77 0.00 0.00 66.41 65.23 1c82 h THR 373 Cb -0.10 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1c82 h THR 373 CO -0.06 0.64 -0.41 0.40 0.37 0.00 0.00 175.52 176.45 1c82 h ILE 374 N 0.37 1.28 -0.72 3.11 2.04 -0.93 -1.08 117.51 121.58 1c82 h ILE 374 Ca -0.04 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.21 1c82 h ILE 374 Cb 1.34 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 1c82 h ILE 374 CO 0.14 0.52 0.38 -0.09 0.00 0.00 0.00 178.15 179.11 1c82 h ARG 375 N 0.67 1.01 -0.44 2.37 9.65 -1.14 -2.24 114.38 124.26 1c82 h ARG 375 Ca 0.05 -0.12 -0.13 0.00 -1.10 0.00 0.00 59.98 58.69 1c82 h ARG 375 Cb 0.99 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1c82 h ARG 375 CO 0.09 0.75 -0.22 1.03 2.80 0.00 0.00 179.97 184.42 1c82 h SER 376 N 1.01 0.96 -0.18 -3.80 0.87 -1.06 -3.15 113.55 108.21 1c82 h SER 376 Ca 0.26 -0.41 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 1c82 h SER 376 Cb 0.04 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1c82 h SER 376 CO -0.04 1.15 0.02 0.40 -0.53 0.00 0.00 176.83 177.83 1c82 h ILE 377 N 0.76 1.16 0.00 2.23 2.04 -0.65 -2.51 117.51 120.55 1c82 h ILE 377 Ca 0.10 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1c82 h ILE 377 Cb 0.80 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1c82 h ILE 377 CO 0.07 0.21 0.24 -0.33 0.00 0.00 0.00 178.15 178.34 1c82 h GLU 378 N 0.40 0.00 0.00 2.37 5.08 -1.38 0.27 114.58 121.32 1c82 h GLU 378 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1c82 h GLU 378 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1c82 h GLU 378 CO 0.00 0.00 -0.10 1.96 -1.00 0.00 0.00 179.01 179.87 1c82 h GLN 379 N 0.00 0.00 0.00 2.33 4.20 -1.62 -2.08 115.11 117.94 1c82 h GLN 379 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1c82 h GLN 379 Cb 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1c82 h GLN 379 CO 0.00 0.10 -0.06 -0.24 -0.67 0.00 0.00 178.83 177.97 1c82 h VAL 380 N 0.00 0.32 -0.00 -0.54 3.04 -0.67 -2.87 116.25 115.53 1c82 h VAL 380 Ca -0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1c82 h VAL 380 Cb 0.20 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1c82 h VAL 380 CO 0.01 0.06 -0.12 0.49 -1.01 0.00 0.00 177.57 177.00 1c82 n PHE 381 N -3.42 0.00 -3.13 3.17 3.72 -0.78 -4.85 117.46 112.16 1c82 n PHE 381 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 1c82 n PHE 381 Cb 0.19 -0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 38.44 1c82 n PHE 381 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1c82 s LYS 382 N -2.58 4.40 0.31 -1.08 1.02 -1.08 -4.74 119.74 115.97 1c82 s LYS 382 Ca 0.26 0.76 -0.25 0.00 0.02 0.00 0.00 55.97 56.76 1c82 s LYS 382 Cb 0.20 -3.43 -0.10 0.00 -0.52 0.00 0.00 37.83 33.99 1c82 s LYS 382 CO 0.50 0.14 0.91 -0.51 -0.92 0.00 0.00 175.35 175.46 1c82 s LEU 383 N 0.58 4.34 0.37 3.17 1.43 -1.26 -4.62 118.68 122.69 1c82 s LEU 383 Ca 0.34 1.76 0.08 0.00 -1.03 0.00 0.00 54.13 55.28 1c82 s LEU 383 Cb -0.17 -3.95 -0.06 0.00 0.03 0.00 0.00 46.19 42.04 1c82 s LEU 383 CO 0.16 -0.05 0.03 0.68 0.23 0.00 0.00 176.35 177.40 1c82 s VAL 384 N -1.61 2.37 0.00 -1.59 -7.23 -0.41 -5.02 120.40 106.92 1c82 s VAL 384 Ca 0.49 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1c82 s VAL 384 Cb -0.18 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.90 1c82 s VAL 384 CO 0.23 -0.12 0.93 -0.90 -0.31 0.00 0.00 175.10 174.94 1c82 n ASP 385 N -0.99 1.77 -3.55 4.85 3.85 -1.26 -4.28 116.55 116.94 1c82 n ASP 385 Ca -0.04 -1.87 -0.10 0.00 -0.71 0.00 0.00 54.79 52.07 1c82 n ASP 385 Cb 0.64 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.37 1c82 n ASP 385 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 1c82 s GLN 386 N -0.87 0.66 2.21 0.11 0.74 -1.26 -5.15 119.66 116.11 1c82 s GLN 386 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.41 1c82 s GLN 386 Cb 0.00 0.31 0.00 0.00 1.10 0.00 0.00 33.01 34.42 1c82 s GLN 386 CO 0.00 -0.24 0.00 0.41 -0.55 0.00 0.00 175.29 174.91 1c82 n GLY 387 N 0.41 -1.06 3.79 2.59 0.00 -1.26 -4.87 105.19 104.78 1c82 n GLY 387 Ca -0.09 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 1c82 n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c82 s GLU 388 N 0.00 4.50 0.00 1.61 2.02 -1.26 -4.71 118.70 120.86 1c82 s GLU 388 Ca 0.00 1.20 0.00 0.00 0.02 0.00 0.00 54.97 56.19 1c82 s GLU 388 Cb 0.00 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.38 1c82 s GLU 388 CO 0.00 0.33 0.00 0.41 0.02 0.00 0.00 175.26 176.02 1c82 n GLY 389 N 0.67 0.72 3.83 -1.39 0.00 -0.03 -4.91 105.19 104.09 1c82 n GLY 389 Ca 0.00 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1c82 n GLY 389 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c82 s PHE 390 N -1.13 3.66 0.26 1.61 0.08 -1.26 -1.60 117.98 119.60 1c82 s PHE 390 Ca 0.00 1.14 0.09 0.00 0.12 0.00 0.00 56.93 58.28 1c82 s PHE 390 Cb 0.00 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 1c82 s PHE 390 CO 0.00 0.47 0.06 0.71 -0.10 0.00 0.00 175.22 176.36 1c82 s TYR 391 N -1.37 2.83 0.32 0.36 1.51 0.12 -1.28 117.35 119.84 1c82 s TYR 391 Ca 0.36 -0.18 0.04 0.00 -1.01 0.00 0.00 57.07 56.27 1c82 s TYR 391 Cb -0.16 -1.26 0.65 0.00 -0.11 0.00 0.00 41.96 41.07 1c82 s TYR 391 CO 0.19 0.59 1.88 0.37 -1.11 0.00 0.00 175.55 177.47 1c82 h GLN 392 N 1.77 0.86 0.00 -0.62 5.75 -1.88 -0.50 115.11 120.50 1c82 h GLN 392 Ca -0.46 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1c82 h GLN 392 Cb 1.25 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.60 1c82 h GLN 392 CO 0.60 0.57 0.00 -0.40 -2.65 0.00 0.00 178.83 176.95 1c82 n ASP 393 N -4.55 0.00 0.00 -0.69 5.68 -1.26 -4.85 116.55 110.88 1c82 n ASP 393 Ca 0.16 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1c82 n ASP 393 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1c82 n ASP 393 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c82 n GLY 394 N 0.58 0.70 3.77 6.12 0.00 -0.19 -4.65 105.19 111.51 1c82 n GLY 394 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1c82 n GLY 394 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1c82 s SER 395 N -2.65 5.70 -0.07 1.61 0.01 -1.25 -4.11 113.70 112.92 1c82 s SER 395 Ca 0.00 2.15 -0.01 0.00 1.31 0.00 0.00 55.95 59.40 1c82 s SER 395 Cb 0.00 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.68 1c82 s SER 395 CO 0.00 -1.23 -0.02 -0.47 0.41 0.00 0.00 173.24 171.92 1c82 s TYR 396 N -1.83 0.85 -0.05 2.43 6.14 -1.26 0.14 117.35 123.76 1c82 s TYR 396 Ca 0.72 -0.29 0.04 0.00 0.64 0.00 0.00 57.07 58.18 1c82 s TYR 396 Cb -0.23 -0.86 -0.02 0.00 0.42 0.00 0.00 41.96 41.26 1c82 s TYR 396 CO 0.28 -0.34 -0.16 0.42 0.64 0.00 0.00 175.55 176.39 1c82 s ILE 397 N 1.72 2.88 0.20 3.14 -1.09 -0.63 -1.23 121.20 126.18 1c82 s ILE 397 Ca 0.02 -0.79 -0.03 0.00 -2.23 0.00 0.00 60.65 57.61 1c82 s ILE 397 Cb -0.13 -2.11 -0.03 0.00 -1.58 0.00 0.00 42.46 38.61 1c82 s ILE 397 CO -0.05 0.59 0.19 -0.62 -1.23 0.00 0.00 174.94 173.82 1c82 s ASP 398 N -0.69 0.12 -1.34 3.58 -1.08 -0.54 -0.85 116.67 115.88 1c82 s ASP 398 Ca 0.11 -1.26 -0.01 0.00 -0.52 0.00 0.00 52.55 50.87 1c82 s ASP 398 Cb -0.11 0.41 0.01 0.00 -1.46 0.00 0.00 42.92 41.77 1c82 s ASP 398 CO 0.00 -0.88 0.66 1.41 0.52 0.00 0.00 175.17 176.88 1c82 n HIS 399 N -0.26 -1.88 0.00 -5.34 8.25 -1.26 -1.47 115.22 113.26 1c82 n HIS 399 Ca -0.00 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 1c82 n HIS 399 Cb 0.65 -4.23 0.00 0.00 1.12 0.00 0.00 29.99 27.53 1c82 n HIS 399 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1c82 n THR 400 N -4.33 0.00 -2.53 1.59 -1.04 -1.26 -3.98 114.28 102.74 1c82 n THR 400 Ca -0.28 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.72 1c82 n THR 400 Cb 0.67 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.22 1c82 n THR 400 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1c82 n ASN 401 N 3.13 -0.03 -4.48 8.00 0.23 -1.22 -4.51 115.26 116.37 1c82 n ASN 401 Ca 0.00 -2.07 -0.33 0.00 -0.53 0.00 0.00 54.58 51.64 1c82 n ASN 401 Cb 0.00 0.08 -0.12 0.00 -2.08 0.00 0.00 39.78 37.65 1c82 n ASN 401 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1c82 s VAL 402 N -0.99 3.68 -0.01 3.53 1.01 -0.54 -0.84 120.40 126.25 1c82 s VAL 402 Ca 0.17 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1c82 s VAL 402 Cb 0.30 -2.59 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 1c82 s VAL 402 CO -0.08 0.51 1.96 0.00 0.00 0.00 0.00 175.10 177.49 1c82 s ALA 403 N 0.23 3.47 -0.01 5.51 0.00 -1.26 -1.46 121.76 128.24 1c82 s ALA 403 Ca -0.04 1.20 0.22 0.00 0.00 0.00 0.00 51.96 53.34 1c82 s ALA 403 Cb -0.14 -3.86 0.37 0.00 0.00 0.00 0.00 23.12 19.48 1c82 s ALA 403 CO 0.03 -1.71 1.15 0.66 0.00 0.00 0.00 175.76 175.89 1c82 n TYR 404 N 8.03 0.02 -0.34 0.00 4.01 -0.37 -4.40 117.16 124.11 1c82 n TYR 404 Ca 0.21 -0.55 -0.01 0.00 -0.16 0.00 0.00 57.90 57.39 1c82 n TYR 404 Cb 0.42 -0.05 0.12 0.00 -0.31 0.00 0.00 39.34 39.52 1c82 n TYR 404 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1c82 h THR 405 N 6.66 1.16 0.00 -0.72 2.02 -1.59 -2.55 112.91 117.88 1c82 h THR 405 Ca -0.28 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1c82 h THR 405 Cb 1.81 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1c82 h THR 405 CO 0.04 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.76 1c82 n GLY 406 N -1.35 -0.89 1.93 2.16 0.00 0.21 -2.81 105.19 104.44 1c82 n GLY 406 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1c82 n GLY 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c82 n ALA 407 N -0.67 3.00 0.08 4.61 0.00 -1.15 -4.50 120.51 121.89 1c82 n ALA 407 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 1c82 n ALA 407 Cb 0.03 0.01 0.14 0.00 0.00 0.00 0.00 19.45 19.63 1c82 n ALA 407 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1c82 h TYR 408 N 0.00 0.33 -0.39 0.00 0.05 -1.73 -2.28 116.97 112.94 1c82 h TYR 408 Ca 0.00 -0.12 -0.09 0.00 0.05 0.00 0.00 58.73 58.57 1c82 h TYR 408 Cb 0.00 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 1c82 h TYR 408 CO 0.00 0.76 -0.13 0.78 -1.05 0.00 0.00 178.16 178.52 1c82 h GLY 409 N 1.39 0.76 0.88 3.88 0.00 -1.29 -0.61 103.07 108.09 1c82 h GLY 409 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1c82 h GLY 409 CO 0.09 0.53 -0.15 3.43 0.00 0.00 0.00 176.54 180.43 1c82 h ASN 410 N 0.64 -0.40 -1.01 0.19 4.21 -1.30 -1.20 115.58 116.72 1c82 h ASN 410 Ca 0.11 0.03 0.06 0.00 1.21 0.00 0.00 56.30 57.71 1c82 h ASN 410 Cb 0.59 0.13 -0.07 0.00 -1.12 0.00 0.00 38.32 37.85 1c82 h ASN 410 CO 0.04 -0.24 0.65 0.58 -1.29 0.00 0.00 177.43 177.17 1c82 h VAL 411 N -0.37 1.10 0.81 2.81 2.07 -1.17 0.94 116.25 122.45 1c82 h VAL 411 Ca -0.01 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1c82 h VAL 411 Cb 0.32 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1c82 h VAL 411 CO -0.00 0.22 -0.48 0.25 0.02 0.00 0.00 177.57 177.58 1c82 h LEU 412 N 1.20 -1.20 -0.63 2.57 6.46 -0.60 0.10 115.31 123.21 1c82 h LEU 412 Ca 0.43 0.06 -0.12 0.00 -0.12 0.00 0.00 57.88 58.13 1c82 h LEU 412 Cb 0.14 0.34 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1c82 h LEU 412 CO -0.16 -0.75 -0.19 -0.29 -0.62 0.00 0.00 178.44 176.43 1c82 h ILE 413 N -1.20 1.27 0.38 4.05 2.10 -1.04 -0.17 117.51 122.89 1c82 h ILE 413 Ca -0.11 -1.32 -0.02 0.00 1.08 0.00 0.00 64.86 64.49 1c82 h ILE 413 Cb 0.96 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 1c82 h ILE 413 CO 0.12 0.45 -0.18 -0.78 -1.08 0.00 0.00 178.15 176.68 1c82 h ASP 414 N 0.77 -0.43 -0.33 2.19 3.58 -0.81 -1.92 116.42 119.47 1c82 h ASP 414 Ca 0.11 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.43 1c82 h ASP 414 Cb 0.73 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 1c82 h ASP 414 CO 0.06 -0.26 -0.21 1.23 -2.88 0.00 0.00 179.24 177.18 1c82 h GLY 415 N -0.57 0.80 0.99 -0.78 0.00 -0.97 -3.05 103.07 99.49 1c82 h GLY 415 Ca -0.05 -0.75 0.01 0.00 0.00 0.00 0.00 47.33 46.54 1c82 h GLY 415 CO 0.09 0.68 0.66 -2.00 0.00 0.00 0.00 176.54 175.97 1c82 h LEU 416 N 0.50 1.14 -1.66 3.11 5.85 -1.04 -1.66 115.31 121.56 1c82 h LEU 416 Ca 0.07 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1c82 h LEU 416 Cb 0.77 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1c82 h LEU 416 CO 0.06 0.82 -0.15 0.77 -0.34 0.00 0.00 178.44 179.60 1c82 h SER 417 N 1.35 0.00 0.23 1.25 4.64 -1.31 -0.01 113.55 119.69 1c82 h SER 417 Ca 0.37 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.37 1c82 h SER 417 Cb -0.14 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 61.99 1c82 h SER 417 CO -0.09 0.15 -1.42 1.56 -0.87 0.00 0.00 176.83 176.17 1c82 h GLN 418 N 0.00 0.56 -0.16 4.77 4.20 -1.23 -3.37 115.11 119.88 1c82 h GLN 418 Ca -0.00 -0.91 -0.17 0.00 0.06 0.00 0.00 58.65 57.63 1c82 h GLN 418 Cb 0.47 0.33 0.01 0.00 0.30 0.00 0.00 27.48 28.59 1c82 h GLN 418 CO 0.02 1.43 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.96 1c82 h LEU 419 N 0.16 0.79 -0.77 1.46 3.38 -0.97 -3.37 115.31 115.99 1c82 h LEU 419 Ca -0.24 -0.61 0.17 0.00 0.09 0.00 0.00 57.88 57.29 1c82 h LEU 419 Cb 2.11 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 42.48 1c82 h LEU 419 CO 0.27 1.26 -0.08 -0.07 0.09 0.00 0.00 178.44 179.91 1c82 h LEU 420 N 0.37 -0.51 -1.67 1.67 3.38 -1.16 0.84 115.31 118.22 1c82 h LEU 420 Ca -0.03 0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1c82 h LEU 420 Cb 1.21 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 1c82 h LEU 420 CO 0.12 -0.22 0.26 -0.65 0.09 0.00 0.00 178.44 178.04 1c82 h PRO 421 N 0.05 0.42 0.09 1.13 0.11 -1.78 0.27 132.00 132.29 1c82 h PRO 421 Ca 0.40 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.35 1c82 h PRO 421 Cb 0.68 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 31.71 1c82 h PRO 421 CO -0.73 0.28 -0.58 0.28 -0.21 0.00 0.00 178.00 177.04 1c82 h VAL 422 N 0.43 1.57 -0.88 3.15 2.07 -1.31 -3.25 116.25 118.03 1c82 h VAL 422 Ca 0.16 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 1c82 h VAL 422 Cb 0.09 3.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 1c82 h VAL 422 CO -0.04 0.67 0.52 0.40 0.02 0.00 0.00 177.57 179.14 1c82 h ILE 423 N -0.50 1.25 0.00 4.57 2.04 -0.66 -1.85 117.51 122.36 1c82 h ILE 423 Ca -0.10 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1c82 h ILE 423 Cb 1.43 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1c82 h ILE 423 CO 0.11 0.26 0.00 0.00 0.00 0.00 0.00 178.15 178.52 1c82 n GLN 424 N -4.39 0.08 -0.16 2.37 1.13 0.93 -2.16 117.38 115.18 1c82 n GLN 424 Ca 0.09 0.41 0.08 0.00 -1.94 0.00 0.00 57.00 55.64 1c82 n GLN 424 Cb 0.07 -1.68 0.16 0.00 0.11 0.00 0.00 30.24 28.90 1c82 n GLN 424 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1c82 n LYS 425 N -1.84 2.25 -1.82 -1.09 5.02 -0.70 -4.71 118.16 115.28 1c82 n LYS 425 Ca 0.02 -1.97 -0.14 0.00 -2.02 0.00 0.00 58.31 54.19 1c82 n LYS 425 Cb 0.14 -1.34 0.07 0.00 -0.02 0.00 0.00 35.03 33.88 1c82 n LYS 425 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1c82 n THR 426 N 0.88 0.00 1.92 -0.18 -2.24 -0.92 -4.96 114.28 108.78 1c82 n THR 426 Ca 0.14 -0.97 0.07 0.00 -2.27 0.00 0.00 64.05 61.02 1c82 n THR 426 Cb 0.45 -1.08 0.40 0.00 -2.10 0.00 0.00 70.33 68.01 1c82 n THR 426 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1c82 n LYS 427 N -2.13 1.07 -2.86 -0.78 4.76 -1.26 -3.85 118.16 113.10 1c82 n LYS 427 Ca 0.10 -0.10 -0.19 0.00 -2.87 0.00 0.00 58.31 55.24 1c82 n LYS 427 Cb 0.36 -1.23 -0.01 0.00 -1.84 0.00 0.00 35.03 32.31 1c82 n LYS 427 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1c82 n ASN 428 N -0.62 2.55 -4.59 4.39 5.03 -1.26 -5.11 115.26 115.66 1c82 n ASN 428 Ca 0.11 -3.22 -0.30 0.00 0.87 0.00 0.00 54.58 52.04 1c82 n ASN 428 Cb 0.07 -0.55 0.20 0.00 -1.02 0.00 0.00 39.78 38.48 1c82 n ASN 428 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1c82 s PRO 429 N -3.06 0.16 -0.16 3.52 0.04 -1.25 -4.87 135.00 129.39 1c82 s PRO 429 Ca 0.40 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 1c82 s PRO 429 Cb 0.37 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 33.22 1c82 s PRO 429 CO -0.08 -3.12 0.08 0.42 0.04 0.00 0.00 177.00 174.33 1c82 s ILE 430 N -2.56 4.93 0.47 0.56 1.01 -1.26 -5.03 121.20 119.31 1c82 s ILE 430 Ca 0.67 0.01 -0.21 0.00 0.00 0.00 0.00 60.65 61.12 1c82 s ILE 430 Cb -0.24 -3.19 -0.12 0.00 0.01 0.00 0.00 42.46 38.93 1c82 s ILE 430 CO 0.61 0.51 0.49 0.47 0.00 0.00 0.00 174.94 177.02 1c82 n ASP 431 N 3.03 -1.11 0.20 3.58 8.00 -1.26 -4.90 116.55 124.09 1c82 n ASP 431 Ca -0.17 0.84 0.14 0.00 0.71 0.00 0.00 54.79 56.31 1c82 n ASP 431 Cb 0.53 -1.11 0.46 0.00 -0.02 0.00 0.00 41.12 40.98 1c82 n ASP 431 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1c82 h LYS 432 N 0.60 0.00 0.00 -1.24 1.63 -1.99 -3.05 116.57 112.52 1c82 h LYS 432 Ca -0.42 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.33 1c82 h LYS 432 Cb 1.40 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.02 1c82 h LYS 432 CO 0.50 0.00 -1.44 -0.40 -3.45 0.00 0.00 179.45 174.65 1c82 n ASP 433 N -2.79 0.56 -0.14 4.20 5.68 -1.26 -3.49 116.55 119.32 1c82 n ASP 433 Ca 0.03 0.22 -0.12 0.00 -0.50 0.00 0.00 54.79 54.42 1c82 n ASP 433 Cb 0.37 0.88 -0.01 0.00 -1.14 0.00 0.00 41.12 41.22 1c82 n ASP 433 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1c82 h LYS 434 N 0.00 0.97 -0.00 0.11 1.79 -1.90 -2.94 116.57 114.60 1c82 h LYS 434 Ca -0.06 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1c82 h LYS 434 Cb 1.17 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1c82 h LYS 434 CO 0.01 1.14 -0.05 -1.33 -1.08 0.00 0.00 179.45 178.13 1c82 n MET 435 N -4.08 0.73 0.29 3.15 2.81 -1.18 -3.86 117.12 114.98 1c82 n MET 435 Ca -0.01 -0.16 0.15 0.00 -1.81 0.00 0.00 57.70 55.86 1c82 n MET 435 Cb 0.51 -1.50 0.87 0.00 -0.71 0.00 0.00 33.22 32.39 1c82 n MET 435 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 1c82 h GLN 436 N 0.40 0.00 0.00 0.03 5.75 -1.55 -1.22 115.11 118.53 1c82 h GLN 436 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1c82 h GLN 436 Cb 0.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.83 1c82 h GLN 436 CO 0.00 0.04 0.00 1.79 -2.65 0.00 0.00 178.83 178.01 1c82 h THR 437 N 0.00 0.00 -0.97 2.39 1.35 -1.77 -2.73 112.91 111.17 1c82 h THR 437 Ca -0.00 -0.28 0.07 0.00 -0.55 0.00 0.00 66.41 65.64 1c82 h THR 437 Cb 0.13 1.19 -0.06 0.00 -1.73 0.00 0.00 68.15 67.67 1c82 h THR 437 CO 0.01 0.00 0.63 0.24 -0.25 0.00 0.00 175.52 176.15 1c82 h MET 438 N 0.00 1.10 0.00 4.72 2.86 -1.51 0.31 114.93 122.41 1c82 h MET 438 Ca 0.00 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1c82 h MET 438 Cb 0.31 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1c82 h MET 438 CO 0.00 0.72 -0.28 1.88 1.06 0.00 0.00 176.91 180.29 1c82 h TYR 439 N 1.13 0.00 -0.24 -0.22 0.05 -1.68 -2.13 116.97 113.89 1c82 h TYR 439 Ca 0.42 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 59.06 1c82 h TYR 439 Cb 0.18 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.92 1c82 h TYR 439 CO -0.00 0.28 -0.41 1.25 -1.05 0.00 0.00 178.16 178.23 1c82 h HIS 440 N 0.00 0.88 0.07 4.88 2.76 -1.08 -1.86 115.15 120.81 1c82 h HIS 440 Ca -0.00 -0.31 0.01 0.00 -2.20 0.00 0.00 60.37 57.87 1c82 h HIS 440 Cb 0.68 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 1c82 h HIS 440 CO 0.00 1.08 -0.10 -1.49 -1.30 0.00 0.00 177.93 176.12 1c82 h TRP 441 N 0.42 -0.26 0.02 5.26 6.55 -0.92 0.25 115.95 127.27 1c82 h TRP 441 Ca 0.02 0.00 0.03 0.00 0.95 0.00 0.00 58.89 59.89 1c82 h TRP 441 Cb 1.01 0.11 -0.04 0.00 -0.86 0.00 0.00 29.16 29.38 1c82 h TRP 441 CO 0.08 -0.16 -0.23 0.82 -1.05 0.00 0.00 178.44 177.90 1c82 h ILE 442 N -0.21 0.47 -0.10 1.49 2.04 -1.37 0.27 117.51 120.10 1c82 h ILE 442 Ca 0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.78 1c82 h ILE 442 Cb 0.22 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1c82 h ILE 442 CO -0.05 0.00 -0.32 0.44 0.00 0.00 0.00 178.15 178.22 1c82 h ASP 443 N -0.37 0.45 0.40 1.72 3.32 -1.22 -0.97 116.42 119.74 1c82 h ASP 443 Ca 0.05 -0.61 -0.31 0.00 0.02 0.00 0.00 57.03 56.18 1c82 h ASP 443 Cb 0.44 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1c82 h ASP 443 CO -0.19 0.98 -1.76 0.11 -1.72 0.00 0.00 179.24 176.66 1c82 h LYS 444 N -0.06 0.09 0.00 3.56 1.57 -0.55 -3.40 116.57 117.78 1c82 h LYS 444 Ca -0.01 -0.16 -0.40 0.00 -1.87 0.00 0.00 60.65 58.21 1c82 h LYS 444 Cb 0.94 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.25 1c82 h LYS 444 CO 0.07 0.76 -2.22 0.43 -0.57 0.00 0.00 179.45 177.91 1c82 n SER 445 N -3.21 1.94 -0.08 0.86 7.64 0.79 -4.47 113.62 117.09 1c82 n SER 445 Ca -0.21 0.36 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 1c82 n SER 445 Cb 1.05 -0.84 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 1c82 n SER 445 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1c82 h PHE 446 N -1.00 0.00 -0.67 1.43 0.04 -1.14 -3.40 116.94 112.20 1c82 h PHE 446 Ca -0.60 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.31 1c82 h PHE 446 Cb 1.52 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.55 1c82 h PHE 446 CO -0.07 0.96 -0.00 0.00 -0.60 0.00 0.00 178.31 178.59 1c82 h ALA 447 N -0.37 0.67 0.00 2.45 0.00 -1.38 -1.38 119.26 119.25 1c82 h ALA 447 Ca -0.12 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1c82 h ALA 447 Cb 0.94 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1c82 h ALA 447 CO -0.07 -0.40 -0.02 -1.35 0.00 0.00 0.00 179.25 177.41 1c82 h PRO 448 N 0.11 0.00 -0.02 0.00 0.11 -1.78 -1.84 132.00 128.58 1c82 h PRO 448 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1c82 h PRO 448 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1c82 h PRO 448 CO -0.58 0.02 0.00 1.28 -0.21 0.00 0.00 178.00 178.51 1c82 n LEU 449 N -3.71 0.96 -4.41 2.35 4.77 -0.52 -4.75 117.00 111.69 1c82 n LEU 449 Ca -0.03 -0.33 -0.39 0.00 -0.03 0.00 0.00 56.01 55.23 1c82 n LEU 449 Cb 0.11 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.08 1c82 n LEU 449 CO 0.27 0.16 -0.19 -0.76 -1.33 0.00 0.00 177.39 175.54 1c82 s LEU 450 N -1.97 4.35 -0.15 2.23 1.43 -0.69 -0.72 118.68 123.16 1c82 s LEU 450 Ca 0.41 -0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1c82 s LEU 450 Cb 0.21 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.45 1c82 s LEU 450 CO 0.34 -0.27 -0.10 -0.69 0.23 0.00 0.00 176.35 175.86 1c82 s VAL 451 N 1.58 1.31 -1.52 -1.59 1.01 -0.08 -4.76 120.40 116.36 1c82 s VAL 451 Ca 0.03 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 1c82 s VAL 451 Cb -0.18 -1.34 0.08 0.00 0.00 0.00 0.00 36.38 34.94 1c82 s VAL 451 CO 0.06 0.32 0.97 0.59 0.00 0.00 0.00 175.10 177.04 1c82 n ASN 452 N 4.83 -4.65 0.00 3.32 3.02 -1.26 -1.17 115.26 119.35 1c82 n ASN 452 Ca -0.14 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1c82 n ASN 452 Cb 0.49 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1c82 n ASN 452 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c82 n GLY 453 N -1.69 0.61 3.51 7.41 0.00 -1.26 -4.29 105.19 109.48 1c82 n GLY 453 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1c82 n GLY 453 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1c82 s GLU 454 N -0.03 3.22 -0.37 1.61 2.12 -0.32 -4.36 118.70 120.58 1c82 s GLU 454 Ca 0.00 -0.56 -0.20 0.00 0.36 0.00 0.00 54.97 54.57 1c82 s GLU 454 Cb 0.00 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.67 1c82 s GLU 454 CO 0.00 0.42 0.61 -1.17 -0.54 0.00 0.00 175.26 174.57 1c82 s LEU 455 N -0.15 4.32 -0.31 2.70 2.96 -0.75 -0.90 118.68 126.55 1c82 s LEU 455 Ca 0.02 0.02 -0.41 0.00 -0.22 0.00 0.00 54.13 53.54 1c82 s LEU 455 Cb -0.13 -2.72 -0.16 0.00 0.50 0.00 0.00 46.19 43.68 1c82 s LEU 455 CO 0.03 -0.60 1.76 0.23 -1.32 0.00 0.00 176.35 176.45 1c82 n MET 456 N 6.00 1.03 0.03 1.98 2.81 0.10 -4.67 117.12 124.40 1c82 n MET 456 Ca -0.02 0.37 0.18 0.00 -1.81 0.00 0.00 57.70 56.43 1c82 n MET 456 Cb 0.48 -2.06 0.68 0.00 -0.71 0.00 0.00 33.22 31.62 1c82 n MET 456 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1c82 h ASP 457 N 7.27 0.01 0.12 7.83 3.32 -1.94 -1.96 116.42 131.07 1c82 h ASP 457 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1c82 h ASP 457 Cb 1.32 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1c82 h ASP 457 CO 0.97 0.01 0.00 1.15 -1.72 0.00 0.00 179.24 179.65 1c82 n MET 458 N -4.40 0.00 -0.05 3.56 0.00 -1.26 -1.31 117.12 113.66 1c82 n MET 458 Ca 0.08 0.44 0.05 0.00 0.00 0.00 0.00 57.70 58.28 1c82 n MET 458 Cb 0.54 -1.51 0.07 0.00 0.00 0.00 0.00 33.22 32.32 1c82 n MET 458 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1c82 n SER 459 N -1.51 2.18 -0.98 3.17 3.41 -0.73 -4.59 113.62 114.56 1c82 n SER 459 Ca 0.01 -1.61 0.11 0.00 -0.26 0.00 0.00 58.87 57.12 1c82 n SER 459 Cb 0.04 -0.07 0.16 0.00 -0.26 0.00 0.00 64.21 64.08 1c82 n SER 459 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1c82 n ARG 460 N 0.55 2.24 0.00 4.33 1.74 -0.42 0.66 116.66 125.75 1c82 n ARG 460 Ca 0.08 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 55.11 1c82 n ARG 460 Cb 0.31 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1c82 n ARG 460 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c82 n GLY 461 N 1.29 3.11 0.00 -0.13 0.00 -1.26 -1.80 105.19 106.40 1c82 n GLY 461 Ca 0.16 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1c82 n GLY 461 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1c82 n ARG 462 N 14.00 0.02 0.20 1.61 1.85 -1.26 -3.38 116.66 129.70 1c82 n ARG 462 Ca 0.00 0.14 0.16 0.00 -1.00 0.00 0.00 57.85 57.14 1c82 n ARG 462 Cb 0.00 -1.50 0.80 0.00 -1.05 0.00 0.00 32.46 30.71 1c82 n ARG 462 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1c82 h SER 463 N 0.00 0.00 0.06 2.89 0.02 -1.73 -2.27 113.55 112.52 1c82 h SER 463 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1c82 h SER 463 Cb 0.35 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1c82 h SER 463 CO 0.00 0.00 -0.01 0.16 -1.14 0.00 0.00 176.83 175.84 1c82 h ILE 464 N 0.00 0.36 -0.27 3.27 3.07 -1.72 -1.96 117.51 120.26 1c82 h ILE 464 Ca 0.08 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.42 1c82 h ILE 464 Cb 0.40 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 37.99 1c82 h ILE 464 CO -0.00 0.01 0.00 -1.54 -1.05 0.00 0.00 178.15 175.57 1c82 n SER 465 N -3.58 1.70 -4.47 2.16 3.41 -0.85 -4.78 113.62 107.20 1c82 n SER 465 Ca -0.03 -2.05 -0.37 0.00 -0.26 0.00 0.00 58.87 56.16 1c82 n SER 465 Cb 0.10 -0.25 -0.12 0.00 -0.26 0.00 0.00 64.21 63.68 1c82 n SER 465 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1c82 s ARG 466 N -1.63 3.65 0.35 4.33 0.52 -0.74 -4.60 118.95 120.84 1c82 s ARG 466 Ca 0.19 -0.49 0.05 0.00 -0.52 0.00 0.00 55.73 54.96 1c82 s ARG 466 Cb 0.11 -3.41 0.71 0.00 0.52 0.00 0.00 34.95 32.88 1c82 s ARG 466 CO 0.12 -0.22 1.95 0.00 0.02 0.00 0.00 175.30 177.16 1c82 h ALA 467 N 8.27 1.68 -0.22 2.13 0.00 -1.88 -1.96 119.26 127.29 1c82 h ALA 467 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1c82 h ALA 467 Cb 1.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1c82 h ALA 467 CO 0.58 0.20 0.00 0.27 0.00 0.00 0.00 179.25 180.29 1c82 n ASN 468 N -4.48 1.28 -2.62 0.00 6.94 -1.26 -4.15 115.26 110.96 1c82 n ASN 468 Ca 0.11 -1.93 -0.12 0.00 -0.02 0.00 0.00 54.58 52.62 1c82 n ASN 468 Cb 0.23 -0.15 0.03 0.00 -2.36 0.00 0.00 39.78 37.53 1c82 n ASN 468 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1c82 n SER 469 N 0.17 2.19 -4.73 0.53 7.64 -0.73 -4.89 113.62 113.81 1c82 n SER 469 Ca 0.09 -2.86 -0.29 0.00 1.01 0.00 0.00 58.87 56.82 1c82 n SER 469 Cb 0.21 -0.50 0.14 0.00 -1.01 0.00 0.00 64.21 63.05 1c82 n SER 469 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1c82 s GLU 470 N -3.29 1.09 0.22 1.43 2.02 -1.25 -4.49 118.70 114.42 1c82 s GLU 470 Ca 0.32 0.59 -0.10 0.00 0.02 0.00 0.00 54.97 55.79 1c82 s GLU 470 Cb 0.43 -1.81 0.32 0.00 0.10 0.00 0.00 34.13 33.17 1c82 s GLU 470 CO -0.01 -2.30 1.34 0.41 0.02 0.00 0.00 175.26 174.72 1c82 n GLY 471 N -1.48 -1.58 0.16 -1.39 0.00 -1.26 -1.19 105.19 98.45 1c82 n GLY 471 Ca 0.06 0.94 0.01 0.00 0.00 0.00 0.00 46.02 47.03 1c82 n GLY 471 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1c82 h HIS 472 N 0.00 0.00 -0.10 1.61 3.86 -1.88 -1.85 115.15 116.78 1c82 h HIS 472 Ca 0.37 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.52 1c82 h HIS 472 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1c82 h HIS 472 CO -0.70 0.52 -0.18 0.28 0.86 0.00 0.00 177.93 178.71 1c82 h VAL 473 N 0.00 1.39 -0.12 2.45 2.07 -1.45 -3.14 116.25 117.44 1c82 h VAL 473 Ca -0.01 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.03 1c82 h VAL 473 Cb 0.94 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1c82 h VAL 473 CO 0.07 0.41 -0.13 0.00 0.02 0.00 0.00 177.57 177.94 1c82 h ALA 474 N 0.53 1.57 0.00 1.67 0.00 -1.21 -2.45 119.26 119.36 1c82 h ALA 474 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1c82 h ALA 474 Cb 0.75 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1c82 h ALA 474 CO 0.04 0.31 -0.10 0.00 0.00 0.00 0.00 179.25 179.50 1c82 h ALA 475 N 1.69 1.55 0.00 0.00 0.00 -1.36 -2.40 119.26 118.75 1c82 h ALA 475 Ca 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1c82 h ALA 475 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1c82 h ALA 475 CO 0.02 0.13 -0.27 0.28 0.00 0.00 0.00 179.25 179.40 1c82 h VAL 476 N 0.00 0.63 -0.56 0.00 2.07 -1.45 -0.62 116.25 116.32 1c82 h VAL 476 Ca -0.00 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 1c82 h VAL 476 Cb 0.22 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1c82 h VAL 476 CO 0.01 0.27 0.07 -0.33 0.02 0.00 0.00 177.57 177.61 1c82 h GLU 477 N 0.00 0.95 0.02 1.57 5.08 -1.54 0.16 114.58 120.82 1c82 h GLU 477 Ca -0.00 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1c82 h GLU 477 Cb 0.85 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1c82 h GLU 477 CO 0.04 0.92 -0.01 0.28 -1.00 0.00 0.00 179.01 179.24 1c82 h VAL 478 N 0.84 1.39 -0.37 3.13 2.07 -1.55 -2.79 116.25 118.97 1c82 h VAL 478 Ca 0.17 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1c82 h VAL 478 Cb 0.45 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 1c82 h VAL 478 CO 0.02 0.33 0.15 -0.07 0.02 0.00 0.00 177.57 178.01 1c82 h LEU 479 N -0.59 0.19 -1.53 2.57 3.38 -1.01 0.22 115.31 118.54 1c82 h LEU 479 Ca -0.00 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1c82 h LEU 479 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1c82 h LEU 479 CO 0.00 0.15 -0.24 0.08 0.09 0.00 0.00 178.44 178.52 1c82 h ARG 480 N 0.32 0.00 -0.13 1.13 0.11 -0.79 0.43 114.38 115.45 1c82 h ARG 480 Ca 0.16 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.15 1c82 h ARG 480 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1c82 h ARG 480 CO -0.15 0.24 -0.27 0.78 0.10 0.00 0.00 179.97 180.68 1c82 h GLY 481 N 0.80 0.45 1.00 0.08 0.00 -0.94 -2.58 103.07 101.88 1c82 h GLY 481 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1c82 h GLY 481 CO 0.03 0.48 0.40 -2.22 0.00 0.00 0.00 176.54 175.23 1c82 h ILE 482 N 0.01 1.21 -0.67 2.60 2.04 -0.11 -2.32 117.51 120.27 1c82 h ILE 482 Ca 0.00 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.37 1c82 h ILE 482 Cb 0.86 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1c82 h ILE 482 CO 0.06 0.22 0.44 -0.74 0.00 0.00 0.00 178.15 178.14 1c82 h HIS 483 N 0.95 0.84 -0.38 1.37 2.76 -0.93 0.57 115.15 120.34 1c82 h HIS 483 Ca 0.25 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.44 1c82 h HIS 483 Cb 0.01 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 1c82 h HIS 483 CO -0.01 0.53 0.25 0.00 -1.30 0.00 0.00 177.93 177.40 1c82 h ARG 484 N 0.90 0.49 -0.81 5.26 3.08 -1.23 0.14 114.38 122.21 1c82 h ARG 484 Ca 0.24 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1c82 h ARG 484 Cb -0.11 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.79 1c82 h ARG 484 CO -0.05 0.32 0.52 0.82 -1.07 0.00 0.00 179.97 180.51 1c82 h ILE 485 N 0.51 1.22 -0.59 2.04 2.04 -0.84 -1.78 117.51 120.09 1c82 h ILE 485 Ca 0.14 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1c82 h ILE 485 Cb -0.05 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.04 1c82 h ILE 485 CO -0.04 0.22 0.27 0.00 0.00 0.00 0.00 178.15 178.60 1c82 h ALA 486 N 1.28 0.76 -0.77 1.87 0.00 -0.31 -2.34 119.26 119.75 1c82 h ALA 486 Ca 0.30 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1c82 h ALA 486 Cb -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1c82 h ALA 486 CO -0.06 0.34 0.51 0.22 0.00 0.00 0.00 179.25 180.26 1c82 h ASP 487 N 0.81 0.81 -0.54 0.00 3.58 0.03 -1.22 116.42 119.89 1c82 h ASP 487 Ca 0.20 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1c82 h ASP 487 Cb 0.14 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1c82 h ASP 487 CO -0.02 0.55 0.00 1.15 -2.88 0.00 0.00 179.24 178.04 1c82 n MET 488 N -4.45 2.40 -1.17 0.28 0.00 -0.74 -4.88 117.12 108.55 1c82 n MET 488 Ca 0.10 -1.99 -0.04 0.00 0.00 0.00 0.00 57.70 55.76 1c82 n MET 488 Cb 0.12 -1.48 0.02 0.00 0.00 0.00 0.00 33.22 31.89 1c82 n MET 488 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1c82 n SER 489 N 1.04 0.34 -3.56 3.17 7.64 -0.46 -5.08 113.62 116.72 1c82 n SER 489 Ca 0.18 -1.27 -0.15 0.00 1.01 0.00 0.00 58.87 58.64 1c82 n SER 489 Cb 0.50 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.53 1c82 n SER 489 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1c82 s GLU 490 N -2.78 1.03 4.30 1.43 -1.05 -1.26 -4.77 118.70 115.60 1c82 s GLU 490 Ca 0.13 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.89 1c82 s GLU 490 Cb -0.01 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 1c82 s GLU 490 CO 0.09 -0.36 0.00 0.41 0.95 0.00 0.00 175.26 176.35 1c82 n GLY 491 N 0.60 0.86 0.23 -3.83 0.00 -1.26 -3.45 105.19 98.34 1c82 n GLY 491 Ca -0.19 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.12 1c82 n GLY 491 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1c82 h GLU 492 N 0.00 0.00 -0.16 1.61 4.22 -2.00 -1.86 114.58 116.39 1c82 h GLU 492 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 1c82 h GLU 492 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1c82 h GLU 492 CO 0.00 0.21 -0.04 1.15 -2.18 0.00 0.00 179.01 178.15 1c82 h THR 493 N 0.00 1.29 0.04 0.32 2.02 -1.98 0.24 112.91 114.84 1c82 h THR 493 Ca -0.00 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 1c82 h THR 493 Cb 0.63 1.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1c82 h THR 493 CO 0.03 0.30 -0.02 0.50 0.37 0.00 0.00 175.52 176.70 1c82 h LYS 494 N 0.02 -0.05 -0.19 6.66 3.64 -1.57 -1.00 116.57 124.07 1c82 h LYS 494 Ca 0.04 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1c82 h LYS 494 Cb 0.48 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1c82 h LYS 494 CO 0.02 0.07 -0.01 1.96 -2.27 0.00 0.00 179.45 179.21 1c82 h GLN 495 N -0.16 0.04 -0.72 1.90 4.20 -1.27 0.16 115.11 119.26 1c82 h GLN 495 Ca -0.01 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1c82 h GLN 495 Cb 0.14 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1c82 h GLN 495 CO 0.01 0.03 0.33 -0.09 -0.67 0.00 0.00 178.83 178.44 1c82 h ARG 496 N 0.04 1.05 -0.39 1.46 2.43 -0.46 0.34 114.38 118.85 1c82 h ARG 496 Ca 0.09 -0.16 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 1c82 h ARG 496 Cb 0.12 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1c82 h ARG 496 CO -0.17 0.84 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.74 1c82 h LEU 497 N 1.02 0.92 -0.46 3.80 3.38 -0.93 -0.02 115.31 123.02 1c82 h LEU 497 Ca 0.25 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1c82 h LEU 497 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1c82 h LEU 497 CO -0.03 1.16 0.28 1.56 0.09 0.00 0.00 178.44 181.49 1c82 h GLN 498 N 0.74 0.54 -0.43 1.13 4.20 -0.23 -0.59 115.11 120.46 1c82 h GLN 498 Ca 0.08 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1c82 h GLN 498 Cb 0.88 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1c82 h GLN 498 CO 0.08 0.36 0.02 0.77 -0.67 0.00 0.00 178.83 179.39 1c82 h SER 499 N 0.56 0.64 -0.21 1.46 0.02 -0.01 -0.16 113.55 115.84 1c82 h SER 499 Ca 0.18 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1c82 h SER 499 Cb 0.00 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1c82 h SER 499 CO -0.08 0.70 0.04 0.25 -1.14 0.00 0.00 176.83 176.60 1c82 h LEU 500 N 0.65 0.34 -0.44 5.07 5.85 -0.27 -1.61 115.31 124.89 1c82 h LEU 500 Ca 0.14 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1c82 h LEU 500 Cb 0.37 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1c82 h LEU 500 CO 0.01 0.50 -0.01 0.58 -0.34 0.00 0.00 178.44 179.19 1c82 h VAL 501 N 0.16 1.26 -0.13 1.05 2.07 -0.90 -2.71 116.25 117.05 1c82 h VAL 501 Ca 0.07 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1c82 h VAL 501 Cb 0.31 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1c82 h VAL 501 CO 0.00 0.36 0.08 0.50 0.02 0.00 0.00 177.57 178.53 1c82 h LYS 502 N 0.62 0.17 -0.58 1.57 3.64 -0.97 -1.93 116.57 119.09 1c82 h LYS 502 Ca 0.12 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1c82 h LYS 502 Cb 0.50 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1c82 h LYS 502 CO 0.02 0.14 0.16 0.00 -2.27 0.00 0.00 179.45 177.51 1c82 h THR 503 N 0.15 1.24 -0.04 1.00 1.03 -1.31 -1.79 112.91 113.20 1c82 h THR 503 Ca 0.05 -0.85 -0.00 0.00 -0.01 0.00 0.00 66.41 65.59 1c82 h THR 503 Cb 0.01 0.70 -0.00 0.00 -1.07 0.00 0.00 68.15 67.79 1c82 h THR 503 CO -0.01 0.32 0.01 0.40 -0.01 0.00 0.00 175.52 176.23 1c82 h ILE 504 N 0.82 1.16 -0.58 0.00 2.04 -1.42 -2.11 117.51 117.42 1c82 h ILE 504 Ca 0.18 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1c82 h ILE 504 Cb 0.32 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1c82 h ILE 504 CO -0.00 0.13 0.35 0.58 0.00 0.00 0.00 178.15 179.20 1c82 h VAL 505 N -0.12 1.05 0.00 1.67 2.07 -1.30 -2.55 116.25 117.07 1c82 h VAL 505 Ca 0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1c82 h VAL 505 Cb 0.19 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1c82 h VAL 505 CO -0.00 0.12 0.00 1.56 0.02 0.00 0.00 177.57 179.27 1c82 h GLN 506 N 0.68 0.00 0.00 1.57 4.20 -1.24 -2.34 115.11 117.98 1c82 h GLN 506 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1c82 h GLN 506 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1c82 h GLN 506 CO -0.11 0.00 -0.25 -1.13 -0.67 0.00 0.00 178.83 176.67 1c82 n SER 507 N -2.79 0.55 -4.46 1.46 3.41 -0.80 -4.65 113.62 106.33 1c82 n SER 507 Ca 0.02 0.30 -0.43 0.00 -0.26 0.00 0.00 58.87 58.50 1c82 n SER 507 Cb 0.31 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1c82 n SER 507 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1c82 s ASP 508 N -3.86 6.30 0.00 4.04 -1.08 -0.88 -4.78 116.67 116.41 1c82 s ASP 508 Ca 0.10 -1.26 0.26 0.00 -0.52 0.00 0.00 52.55 51.14 1c82 s ASP 508 Cb 0.15 -2.43 0.78 0.00 -1.46 0.00 0.00 42.92 39.96 1c82 s ASP 508 CO 0.63 -1.37 1.58 -1.54 0.52 0.00 0.00 175.17 175.00 1c82 n SER 509 N 7.54 0.73 -0.09 -0.34 3.41 -1.26 -4.29 113.62 119.31 1c82 n SER 509 Ca 0.05 -0.58 -0.23 0.00 -0.26 0.00 0.00 58.87 57.86 1c82 n SER 509 Cb 0.47 0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.40 1c82 n SER 509 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c82 n TYR 510 N -1.00 0.58 -4.49 7.33 9.36 -1.26 -4.95 117.16 122.74 1c82 n TYR 510 Ca 0.10 0.17 -0.34 0.00 3.32 0.00 0.00 57.90 61.16 1c82 n TYR 510 Cb 0.33 -1.07 -0.12 0.00 -0.63 0.00 0.00 39.34 37.85 1c82 n TYR 510 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1c82 s TYR 511 N -2.49 2.98 -0.66 2.98 5.04 -1.26 -5.06 117.35 118.88 1c82 s TYR 511 Ca -0.31 -0.29 -0.28 0.00 -2.44 0.00 0.00 57.07 53.75 1c82 s TYR 511 Cb 0.09 -1.90 0.03 0.00 0.35 0.00 0.00 41.96 40.53 1c82 s TYR 511 CO 0.62 0.00 1.23 0.34 -1.34 0.00 0.00 175.55 176.41 1c82 s ASP 512 N 0.17 6.31 0.41 4.32 2.15 -1.26 -4.90 116.67 123.87 1c82 s ASP 512 Ca -0.03 -0.16 0.26 0.00 0.43 0.00 0.00 52.55 53.05 1c82 s ASP 512 Cb -0.14 -2.56 1.37 0.00 -0.30 0.00 0.00 42.92 41.29 1c82 s ASP 512 CO 0.03 -1.65 1.61 1.62 -0.17 0.00 0.00 175.17 176.61 1c82 h VAL 513 N 6.10 0.11 0.00 1.11 3.04 -1.92 0.24 116.25 124.92 1c82 h VAL 513 Ca -0.26 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1c82 h VAL 513 Cb 1.05 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1c82 h VAL 513 CO 1.23 0.02 0.00 -0.26 -1.01 0.00 0.00 177.57 177.55 1c82 h PHE 514 N 0.09 0.00 0.00 3.17 0.04 -1.94 -2.56 116.94 115.74 1c82 h PHE 514 Ca 0.82 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.59 1c82 h PHE 514 Cb 2.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.55 1c82 h PHE 514 CO -0.01 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.33 1c82 n LYS 515 N -2.78 0.08 -0.96 1.51 5.02 0.84 -2.74 118.16 119.13 1c82 n LYS 515 Ca -0.00 0.25 0.04 0.00 -2.02 0.00 0.00 58.31 56.58 1c82 n LYS 515 Cb 0.19 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1c82 n LYS 515 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1c82 n ASN 516 N -1.37 0.91 -4.13 4.39 5.15 -0.96 -4.94 115.26 114.30 1c82 n ASN 516 Ca 0.04 -2.35 -0.37 0.00 -0.60 0.00 0.00 54.58 51.29 1c82 n ASN 516 Cb 0.09 -0.31 -0.11 0.00 -0.53 0.00 0.00 39.78 38.92 1c82 n ASN 516 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1c82 s LEU 517 N -0.68 5.35 -0.22 1.20 1.43 -1.11 -4.81 118.68 119.83 1c82 s LEU 517 Ca 0.24 -2.14 0.09 0.00 -1.03 0.00 0.00 54.13 51.29 1c82 s LEU 517 Cb 0.26 -1.87 0.60 0.00 0.03 0.00 0.00 46.19 45.21 1c82 s LEU 517 CO -0.09 -0.55 1.52 0.29 0.23 0.00 0.00 176.35 177.76 1c82 n LYS 518 N 4.48 3.47 -3.82 1.70 4.76 -1.26 -4.72 118.16 122.76 1c82 n LYS 518 Ca -0.02 -2.38 -0.12 0.00 -2.87 0.00 0.00 58.31 52.92 1c82 n LYS 518 Cb 0.41 -2.04 -0.10 0.00 -1.84 0.00 0.00 35.03 31.45 1c82 n LYS 518 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1c82 s THR 519 N -2.39 0.05 0.43 -0.18 -4.23 -1.26 -4.89 115.64 103.17 1c82 s THR 519 Ca 0.42 -0.42 0.10 0.00 -1.18 0.00 0.00 61.69 60.62 1c82 s THR 519 Cb 0.33 -0.43 0.28 0.00 1.34 0.00 0.00 72.50 74.03 1c82 s THR 519 CO 0.11 -0.23 2.06 1.88 -0.54 0.00 0.00 174.62 177.90 1c82 h TYR 520 N 4.70 0.41 -0.25 3.99 0.05 -1.64 -1.79 116.97 122.44 1c82 h TYR 520 Ca -0.29 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.37 1c82 h TYR 520 Cb 1.19 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 1c82 h TYR 520 CO 0.52 0.24 -0.38 -0.22 -1.05 0.00 0.00 178.16 177.27 1c82 h LYS 521 N 0.43 0.58 -0.39 4.88 1.63 -1.79 -0.25 116.57 121.66 1c82 h LYS 521 Ca 0.16 -0.28 -0.13 0.00 -0.85 0.00 0.00 60.65 59.54 1c82 h LYS 521 Cb 0.10 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1c82 h LYS 521 CO -0.04 0.87 -0.29 -0.44 -3.45 0.00 0.00 179.45 176.10 1c82 h ASP 522 N 0.48 0.85 -0.25 4.20 3.32 -1.70 -0.81 116.42 122.51 1c82 h ASP 522 Ca 0.05 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1c82 h ASP 522 Cb 0.88 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1c82 h ASP 522 CO 0.08 1.08 -0.07 0.40 -1.72 0.00 0.00 179.24 179.01 1c82 h ILE 523 N 0.70 1.29 -0.11 0.35 2.04 -1.20 -2.51 117.51 118.07 1c82 h ILE 523 Ca 0.08 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.86 1c82 h ILE 523 Cb 0.83 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1c82 h ILE 523 CO 0.07 0.34 0.01 -1.28 0.00 0.00 0.00 178.15 177.30 1c82 h SER 524 N 0.24 -0.01 -0.62 1.72 0.87 -0.91 -1.48 113.55 113.37 1c82 h SER 524 Ca 0.06 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1c82 h SER 524 Cb 0.55 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.48 1c82 h SER 524 CO 0.03 0.01 0.31 -0.07 -0.53 0.00 0.00 176.83 176.58 1c82 h LEU 525 N 0.06 0.42 -0.48 2.23 3.38 -1.15 -1.93 115.31 117.85 1c82 h LEU 525 Ca 0.05 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1c82 h LEU 525 Cb 0.05 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1c82 h LEU 525 CO -0.07 0.27 0.13 -0.03 0.09 0.00 0.00 178.44 178.82 1c82 h MET 526 N 0.57 0.76 -0.00 1.13 4.05 -1.15 -2.06 114.93 118.22 1c82 h MET 526 Ca 0.29 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1c82 h MET 526 Cb 0.23 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 1c82 h MET 526 CO -0.21 0.74 0.00 1.96 0.23 0.00 0.00 176.91 179.63 1c82 h GLN 527 N 0.64 0.00 -0.28 0.39 4.20 -0.83 -0.75 115.11 118.49 1c82 h GLN 527 Ca 0.15 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 1c82 h GLN 527 Cb 0.31 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1c82 h GLN 527 CO -0.00 0.05 -0.06 0.66 -0.67 0.00 0.00 178.83 178.81 1c82 h SER 528 N -0.05 0.42 0.26 1.46 4.64 -1.36 -1.79 113.55 117.13 1c82 h SER 528 Ca 0.00 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1c82 h SER 528 Cb 0.05 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1c82 h SER 528 CO -0.00 0.53 -0.12 0.25 -0.87 0.00 0.00 176.83 176.61 1c82 h LEU 529 N 0.42 -0.29 -2.05 5.97 6.46 -1.02 -0.39 115.31 124.41 1c82 h LEU 529 Ca 0.09 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1c82 h LEU 529 Cb 0.38 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1c82 h LEU 529 CO 0.02 -0.15 -0.08 -0.07 -0.62 0.00 0.00 178.44 177.54 1c82 h LEU 530 N -0.41 0.00 0.00 2.25 3.38 -0.92 -2.99 115.31 116.62 1c82 h LEU 530 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1c82 h LEU 530 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1c82 h LEU 530 CO 0.06 0.08 -0.95 -1.54 0.09 0.00 0.00 178.44 176.17 1c82 n SER 531 N -3.48 0.88 -4.59 -0.43 3.41 -0.69 -4.88 113.62 103.84 1c82 n SER 531 Ca -0.02 -0.90 -0.43 0.00 -0.26 0.00 0.00 58.87 57.27 1c82 n SER 531 Cb 0.21 1.05 -0.02 0.00 -0.26 0.00 0.00 64.21 65.19 1c82 n SER 531 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1c82 s ASP 532 N -2.88 6.43 0.18 4.04 -1.08 -0.18 -4.85 116.67 118.34 1c82 s ASP 532 Ca 0.06 0.38 0.19 0.00 -0.52 0.00 0.00 52.55 52.67 1c82 s ASP 532 Cb 0.14 -2.55 0.84 0.00 -1.46 0.00 0.00 42.92 39.89 1c82 s ASP 532 CO 0.79 -1.44 1.58 0.00 0.52 0.00 0.00 175.17 176.62 1c82 n ALA 533 N 8.51 1.52 0.25 3.66 0.00 -1.26 -2.12 120.51 131.08 1c82 n ALA 533 Ca 0.12 0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.77 1c82 n ALA 533 Cb 0.49 -1.31 0.50 0.00 0.00 0.00 0.00 19.45 19.13 1c82 n ALA 533 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1c82 h GLY 534 N 1.82 0.00 -7.14 0.00 0.00 -1.95 -3.42 103.07 92.38 1c82 h GLY 534 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1c82 h GLY 534 CO 0.00 0.00 -0.12 0.14 0.00 0.00 0.00 176.54 176.56 1c82 s VAL 535 N -3.52 5.09 0.45 4.60 1.01 -0.90 -5.05 120.40 122.08 1c82 s VAL 535 Ca 0.03 0.51 -0.24 0.00 0.00 0.00 0.00 61.98 62.28 1c82 s VAL 535 Cb 0.08 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 1c82 s VAL 535 CO 0.59 -0.02 1.22 0.00 0.00 0.00 0.00 175.10 176.89 1c82 s ALA 536 N 2.24 3.05 -0.41 5.51 0.00 -1.26 -4.96 121.76 125.93 1c82 s ALA 536 Ca 0.17 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1c82 s ALA 536 Cb -0.16 -3.43 0.15 0.00 0.00 0.00 0.00 23.12 19.69 1c82 s ALA 536 CO 0.11 -0.75 0.28 0.45 0.00 0.00 0.00 175.76 175.85 1c82 s SER 537 N -1.13 2.70 -0.09 0.00 0.15 -1.26 -4.39 113.70 109.67 1c82 s SER 537 Ca 0.62 -2.69 0.01 0.00 0.70 0.00 0.00 55.95 54.59 1c82 s SER 537 Cb -0.32 -0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 63.34 1c82 s SER 537 CO 0.40 -0.24 -0.10 -0.69 1.20 0.00 0.00 173.24 173.81 1c82 s VAL 538 N 0.41 3.40 0.22 4.45 1.01 -1.26 -4.93 120.40 123.70 1c82 s VAL 538 Ca 0.23 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1c82 s VAL 538 Cb -0.13 -2.40 -0.15 0.00 0.00 0.00 0.00 36.38 33.70 1c82 s VAL 538 CO -0.07 0.57 0.99 -2.65 0.00 0.00 0.00 175.10 173.93 1c82 n PRO 539 N 2.72 1.00 -2.18 2.72 -0.02 -1.26 -4.87 135.00 133.11 1c82 n PRO 539 Ca -0.18 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.29 1c82 n PRO 539 Cb 0.53 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1c82 n PRO 539 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1c82 s ARG 540 N -0.93 3.55 0.79 -0.52 0.52 -1.26 -5.02 118.95 116.08 1c82 s ARG 540 Ca 0.67 1.81 -0.12 0.00 -0.52 0.00 0.00 55.73 57.57 1c82 s ARG 540 Cb -0.82 -2.29 0.07 0.00 0.52 0.00 0.00 34.95 32.43 1c82 s ARG 540 CO 0.56 -0.73 1.16 -0.08 0.02 0.00 0.00 175.30 176.23 1c82 s THR 541 N -1.56 2.20 0.56 0.02 -1.32 -1.26 -4.65 115.64 109.64 1c82 s THR 541 Ca 0.67 0.04 -0.20 0.00 -1.21 0.00 0.00 61.69 60.99 1c82 s THR 541 Cb -0.29 -3.06 -0.04 0.00 -1.51 0.00 0.00 72.50 67.60 1c82 s THR 541 CO 0.35 -0.07 1.25 -0.44 -2.21 0.00 0.00 174.62 173.49 1c82 s SER 542 N -4.55 5.31 0.11 8.08 0.01 -1.26 -4.70 113.70 116.70 1c82 s SER 542 Ca 0.61 2.49 -0.24 0.00 1.31 0.00 0.00 55.95 60.12 1c82 s SER 542 Cb -0.11 -2.61 0.07 0.00 0.21 0.00 0.00 66.02 63.58 1c82 s SER 542 CO 0.49 -1.52 0.60 -0.72 0.41 0.00 0.00 173.24 172.50 1c82 s TYR 543 N -1.49 -0.54 -0.15 2.43 -0.85 -0.43 -4.95 117.35 111.37 1c82 s TYR 543 Ca 0.74 0.46 -0.04 0.00 -0.52 0.00 0.00 57.07 57.71 1c82 s TYR 543 Cb -0.33 0.50 0.07 0.00 0.38 0.00 0.00 41.96 42.58 1c82 s TYR 543 CO 0.37 -0.79 0.24 -1.17 -1.52 0.00 0.00 175.55 172.69 1c82 s LEU 544 N -2.42 -0.23 -0.21 -3.49 0.20 -1.19 -0.62 118.68 110.73 1c82 s LEU 544 Ca -0.01 0.28 -0.04 0.00 0.69 0.00 0.00 54.13 55.04 1c82 s LEU 544 Cb -0.01 0.56 -0.02 0.00 -0.43 0.00 0.00 46.19 46.30 1c82 s LEU 544 CO -0.08 -0.27 -0.02 -0.44 -0.29 0.00 0.00 176.35 175.25 1c82 s SER 545 N 2.38 4.59 -0.80 3.68 0.01 0.51 -4.86 113.70 119.21 1c82 s SER 545 Ca 0.04 -0.29 -0.13 0.00 1.31 0.00 0.00 55.95 56.88 1c82 s SER 545 Cb -0.13 -1.79 0.21 0.00 0.21 0.00 0.00 66.02 64.52 1c82 s SER 545 CO -0.10 0.03 0.74 0.00 0.41 0.00 0.00 173.24 174.32 1c82 s ALA 546 N 1.22 4.04 -1.44 1.44 0.00 -1.26 -1.37 121.76 124.39 1c82 s ALA 546 Ca 0.03 -3.29 -0.14 0.00 0.00 0.00 0.00 51.96 48.56 1c82 s ALA 546 Cb -0.14 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1c82 s ALA 546 CO 0.00 -2.26 2.28 1.19 0.00 0.00 0.00 175.76 176.98 1c82 n PHE 547 N 4.00 3.35 0.31 0.00 3.72 -0.16 -4.72 117.46 123.95 1c82 n PHE 547 Ca 0.12 -2.93 0.19 0.00 -0.05 0.00 0.00 57.45 54.78 1c82 n PHE 547 Cb 0.46 -2.51 1.00 0.00 -0.94 0.00 0.00 39.48 37.49 1c82 n PHE 547 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1c82 h ASN 548 N 6.00 0.00 0.68 4.37 2.35 -1.89 -1.27 115.58 125.82 1c82 h ASN 548 Ca 0.59 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.34 1c82 h ASN 548 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1c82 h ASN 548 CO 1.88 0.02 0.00 0.29 -1.65 0.00 0.00 177.43 177.97 1c82 n LYS 549 N -3.32 0.22 -0.09 0.81 4.76 -1.26 -3.28 118.16 116.00 1c82 n LYS 549 Ca -0.02 0.04 0.01 0.00 -2.87 0.00 0.00 58.31 55.46 1c82 n LYS 549 Cb 0.14 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.84 1c82 n LYS 549 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1c82 n MET 550 N -1.38 0.73 -3.81 1.97 0.00 -0.71 -4.93 117.12 108.99 1c82 n MET 550 Ca 0.10 -0.94 -0.27 0.00 0.00 0.00 0.00 57.70 56.60 1c82 n MET 550 Cb 0.26 -0.67 0.03 0.00 0.00 0.00 0.00 33.22 32.84 1c82 n MET 550 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1c82 n ASP 551 N -0.20 -3.68 -4.14 3.17 8.00 -0.56 -4.70 116.55 114.44 1c82 n ASP 551 Ca 0.01 -0.77 -0.14 0.00 0.71 0.00 0.00 54.79 54.59 1c82 n ASP 551 Cb 0.49 -4.05 -0.11 0.00 -0.02 0.00 0.00 41.12 37.43 1c82 n ASP 551 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1c82 s LYS 552 N -6.37 0.74 -0.03 -1.24 -0.14 -1.02 -2.13 119.74 109.56 1c82 s LYS 552 Ca 0.43 -1.01 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 1c82 s LYS 552 Cb -0.21 -0.49 0.03 0.00 -1.68 0.00 0.00 37.83 35.48 1c82 s LYS 552 CO 0.82 0.08 0.01 0.99 -0.76 0.00 0.00 175.35 176.49 1c82 s THR 553 N -2.00 0.08 -0.11 2.17 2.01 -0.90 -0.99 115.64 115.91 1c82 s THR 553 Ca -0.00 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.16 1c82 s THR 553 Cb -0.06 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.25 1c82 s THR 553 CO 0.00 0.12 -0.18 0.00 -0.69 0.00 0.00 174.62 173.87 1c82 s ALA 554 N 1.04 2.42 -0.02 7.40 0.00 -0.47 -1.29 121.76 130.84 1c82 s ALA 554 Ca -0.10 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1c82 s ALA 554 Cb -0.13 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 1c82 s ALA 554 CO -0.02 0.29 -0.13 1.41 0.00 0.00 0.00 175.76 177.31 1c82 s MET 555 N 0.28 1.19 -0.03 0.00 0.00 0.19 -0.36 119.30 120.57 1c82 s MET 555 Ca -0.13 -0.45 -0.00 0.00 0.00 0.00 0.00 55.69 55.11 1c82 s MET 555 Cb -0.16 -1.11 0.03 0.00 0.00 0.00 0.00 34.83 33.58 1c82 s MET 555 CO 0.07 0.23 0.01 -0.47 0.00 0.00 0.00 175.02 174.86 1c82 s TYR 556 N -0.09 0.27 -0.33 4.11 5.04 0.21 0.08 117.35 126.64 1c82 s TYR 556 Ca 0.01 0.04 -0.06 0.00 -2.44 0.00 0.00 57.07 54.62 1c82 s TYR 556 Cb -0.07 -0.43 0.04 0.00 0.35 0.00 0.00 41.96 41.84 1c82 s TYR 556 CO 0.00 -0.15 0.09 1.21 -1.34 0.00 0.00 175.55 175.36 1c82 s ASN 557 N 1.30 5.27 0.19 4.32 3.84 -0.65 -1.31 114.94 127.90 1c82 s ASN 557 Ca -0.06 -1.13 0.04 0.00 0.21 0.00 0.00 52.86 51.91 1c82 s ASN 557 Cb -0.13 -1.85 0.07 0.00 -0.55 0.00 0.00 41.25 38.78 1c82 s ASN 557 CO -0.02 -0.31 1.43 0.00 -2.79 0.00 0.00 177.10 175.40 1c82 h ALA 558 N 8.20 0.62 -0.11 1.71 0.00 -1.84 0.12 119.26 127.96 1c82 h ALA 558 Ca -0.23 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 1c82 h ALA 558 Cb 1.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1c82 h ALA 558 CO 0.60 0.88 0.04 1.49 0.00 0.00 0.00 179.25 182.25 1c82 h GLU 559 N 0.11 0.16 0.00 0.00 4.81 -1.93 -3.21 114.58 114.52 1c82 h GLU 559 Ca -0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1c82 h GLU 559 Cb 1.40 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1c82 h GLU 559 CO 0.12 0.30 -1.14 1.63 -0.73 0.00 0.00 179.01 179.19 1c82 n LYS 560 N -4.90 0.28 -2.42 1.92 5.02 -1.25 -5.03 118.16 111.79 1c82 n LYS 560 Ca -0.06 -0.03 -0.07 0.00 -2.02 0.00 0.00 58.31 56.14 1c82 n LYS 560 Cb 0.13 -1.57 0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1c82 n LYS 560 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c82 n GLY 561 N 1.38 0.03 3.10 0.72 0.00 0.38 -4.92 105.19 105.87 1c82 n GLY 561 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1c82 n GLY 561 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c82 s PHE 562 N -3.17 0.11 0.19 1.61 -0.12 -1.02 -4.66 117.98 110.92 1c82 s PHE 562 Ca 0.12 -0.28 0.09 0.00 -0.05 0.00 0.00 56.93 56.81 1c82 s PHE 562 Cb -0.02 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1c82 s PHE 562 CO 0.33 -0.30 -0.06 0.20 -0.05 0.00 0.00 175.22 175.33 1c82 s GLY 563 N -1.60 1.72 -0.02 1.99 0.00 0.88 -1.63 107.32 108.65 1c82 s GLY 563 Ca -0.12 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1c82 s GLY 563 CO -0.00 -1.51 0.01 -0.12 0.00 0.00 0.00 173.10 171.47 1c82 s PHE 564 N -1.82 0.20 -0.10 1.90 5.36 0.11 -0.40 117.98 123.24 1c82 s PHE 564 Ca 0.26 0.04 0.03 0.00 -0.96 0.00 0.00 56.93 56.30 1c82 s PHE 564 Cb -0.08 -0.32 0.01 0.00 -0.34 0.00 0.00 43.02 42.28 1c82 s PHE 564 CO 0.17 -0.10 -0.20 0.20 -1.46 0.00 0.00 175.22 173.83 1c82 s GLY 565 N 0.93 1.17 -0.29 13.12 0.00 0.35 -0.63 107.32 121.96 1c82 s GLY 565 Ca -0.09 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 43.76 1c82 s GLY 565 CO -0.02 -0.08 0.03 -2.27 0.00 0.00 0.00 173.10 170.76 1c82 s LEU 566 N 0.61 3.71 -0.36 0.66 2.96 -0.41 0.44 118.68 126.28 1c82 s LEU 566 Ca -0.14 -0.91 -0.11 0.00 -0.22 0.00 0.00 54.13 52.75 1c82 s LEU 566 Cb -0.17 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.76 1c82 s LEU 566 CO 0.04 -0.20 0.21 -0.55 -1.32 0.00 0.00 176.35 174.53 1c82 s SER 567 N 1.39 5.77 0.24 3.68 0.15 0.21 -2.11 113.70 123.04 1c82 s SER 567 Ca -0.00 -0.83 0.02 0.00 0.70 0.00 0.00 55.95 55.83 1c82 s SER 567 Cb -0.18 -2.05 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1c82 s SER 567 CO -0.00 -0.34 0.06 0.18 1.20 0.00 0.00 173.24 174.34 1c82 n LEU 568 N 5.02 0.00 -3.77 3.45 4.77 -0.91 -2.25 117.00 123.32 1c82 n LEU 568 Ca -0.12 -1.77 -0.07 0.00 -0.03 0.00 0.00 56.01 54.02 1c82 n LEU 568 Cb 0.47 0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 42.03 1c82 n LEU 568 CO 0.36 -0.27 0.51 0.72 -1.33 0.00 0.00 177.39 177.39 1c82 s PHE 569 N -2.32 -0.23 0.00 -1.77 -0.71 -1.23 -4.72 117.98 107.01 1c82 s PHE 569 Ca 0.09 -0.16 0.00 0.00 -1.04 0.00 0.00 56.93 55.82 1c82 s PHE 569 Cb 0.00 0.67 0.00 0.00 -1.21 0.00 0.00 43.02 42.49 1c82 s PHE 569 CO 0.06 -1.09 0.00 -1.13 -1.34 0.00 0.00 175.22 171.72 1c82 n SER 570 N -0.44 0.00 0.23 1.98 3.41 -1.25 -4.84 113.62 112.71 1c82 n SER 570 Ca -0.06 -0.07 0.16 0.00 -0.26 0.00 0.00 58.87 58.64 1c82 n SER 570 Cb 0.60 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.25 1c82 n SER 570 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1c82 h SER 571 N 0.00 0.00 0.30 4.04 4.64 -1.16 0.71 113.55 122.09 1c82 h SER 571 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c82 h SER 571 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1c82 h SER 571 CO 0.00 0.00 -0.74 0.54 -0.87 0.00 0.00 176.83 175.76 1c82 n ARG 572 N -2.74 0.02 -4.01 4.77 1.74 -1.26 -4.73 116.66 110.45 1c82 n ARG 572 Ca 0.00 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1c82 n ARG 572 Cb 0.22 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 30.05 1c82 n ARG 572 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1c82 s THR 573 N -3.02 0.17 0.33 0.55 -4.23 -1.06 -4.80 115.64 103.59 1c82 s THR 573 Ca 0.09 -1.14 -0.26 0.00 -1.18 0.00 0.00 61.69 59.20 1c82 s THR 573 Cb 0.17 -0.59 -0.10 0.00 1.34 0.00 0.00 72.50 73.32 1c82 s THR 573 CO 0.77 -0.61 0.95 -0.22 -0.54 0.00 0.00 174.62 174.98 1c82 s LEU 574 N -1.82 4.31 -0.00 4.79 2.96 -0.02 -3.77 118.68 125.13 1c82 s LEU 574 Ca -0.10 1.85 -0.22 0.00 -0.22 0.00 0.00 54.13 55.43 1c82 s LEU 574 Cb -0.06 -4.04 -0.19 0.00 0.50 0.00 0.00 46.19 42.40 1c82 s LEU 574 CO -0.03 -0.11 1.21 -0.55 -1.32 0.00 0.00 176.35 175.56 1c82 h ASN 575 N 3.08 0.29 -5.04 3.68 7.08 -1.52 -3.44 115.58 119.71 1c82 h ASN 575 Ca -0.47 -0.60 -0.09 0.00 -3.08 0.00 0.00 56.30 52.06 1c82 h ASN 575 Cb 1.19 -0.08 -0.17 0.00 -2.08 0.00 0.00 38.32 37.17 1c82 h ASN 575 CO 0.65 0.84 -0.20 -0.72 -2.08 0.00 0.00 177.43 175.92 1c82 s TYR 576 N -3.83 -0.18 -0.22 4.14 1.13 -1.26 -4.40 117.35 112.73 1c82 s TYR 576 Ca -0.15 0.13 -0.05 0.00 -1.41 0.00 0.00 57.07 55.59 1c82 s TYR 576 Cb 0.03 0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 41.01 1c82 s TYR 576 CO 0.74 -0.51 0.01 -2.00 -2.51 0.00 0.00 175.55 171.28 1c82 s GLU 577 N -2.28 3.54 -0.27 -3.49 2.12 -1.26 -3.36 118.70 113.70 1c82 s GLU 577 Ca -0.07 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.74 1c82 s GLU 577 Cb -0.02 -3.13 0.07 0.00 0.26 0.00 0.00 34.13 31.32 1c82 s GLU 577 CO -0.01 -0.12 -0.04 -1.58 -0.54 0.00 0.00 175.26 172.96 1c82 s HIS 578 N 1.36 3.03 0.01 5.30 5.65 -1.26 -4.24 115.29 125.13 1c82 s HIS 578 Ca 0.04 -2.27 -0.14 0.00 0.25 0.00 0.00 55.06 52.94 1c82 s HIS 578 Cb -0.15 -2.04 0.02 0.00 -1.18 0.00 0.00 32.58 29.24 1c82 s HIS 578 CO 0.01 -0.86 0.30 1.41 -0.65 0.00 0.00 174.74 174.94 1c82 s MET 579 N 1.17 0.72 -1.39 2.88 0.00 -1.07 -4.82 119.30 116.79 1c82 s MET 579 Ca -0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 55.69 55.28 1c82 s MET 579 Cb -0.19 0.31 0.03 0.00 0.00 0.00 0.00 34.83 34.99 1c82 s MET 579 CO -0.07 -0.21 0.48 0.09 0.00 0.00 0.00 175.02 175.30 1c82 n ASN 580 N 1.00 -4.83 -1.08 1.11 3.02 -1.26 -0.92 115.26 112.31 1c82 n ASN 580 Ca -0.20 -0.28 -0.14 0.00 -0.03 0.00 0.00 54.58 53.93 1c82 n ASN 580 Cb 0.57 -3.96 -0.06 0.00 -0.61 0.00 0.00 39.78 35.73 1c82 n ASN 580 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1c82 n LYS 581 N -3.75 -1.01 -4.60 3.52 5.02 -1.26 -4.87 118.16 111.21 1c82 n LYS 581 Ca -0.08 0.99 -0.33 0.00 -2.02 0.00 0.00 58.31 56.87 1c82 n LYS 581 Cb 0.59 -5.10 -0.11 0.00 -0.02 0.00 0.00 35.03 30.39 1c82 n LYS 581 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1c82 s GLU 582 N -3.17 2.64 -0.86 1.97 2.02 -0.09 -2.04 118.70 119.16 1c82 s GLU 582 Ca 0.00 -0.63 -0.00 0.00 0.02 0.00 0.00 54.97 54.36 1c82 s GLU 582 Cb 0.00 -2.53 -0.00 0.00 0.10 0.00 0.00 34.13 31.70 1c82 s GLU 582 CO 0.00 0.64 0.72 -1.71 0.02 0.00 0.00 175.26 174.93 1c82 n ASN 583 N 2.00 -2.34 0.27 -0.19 5.15 0.21 -2.58 115.26 117.78 1c82 n ASN 583 Ca -0.17 -0.46 0.12 0.00 -0.60 0.00 0.00 54.58 53.48 1c82 n ASN 583 Cb 0.53 -3.86 0.77 0.00 -0.53 0.00 0.00 39.78 36.69 1c82 n ASN 583 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1c82 h LYS 584 N -1.32 0.00 -0.38 1.20 1.57 -1.45 -3.20 116.57 112.98 1c82 h LYS 584 Ca -0.43 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.07 1c82 h LYS 584 Cb 1.24 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.31 1c82 h LYS 584 CO 0.36 0.06 -0.72 0.54 -0.57 0.00 0.00 179.45 179.13 1c82 n ARG 585 N -3.91 2.49 -0.29 3.15 1.74 -1.26 -4.50 116.66 114.07 1c82 n ARG 585 Ca -0.03 -3.67 0.05 0.00 -0.77 0.00 0.00 57.85 53.44 1c82 n ARG 585 Cb 0.15 -1.85 0.18 0.00 -1.02 0.00 0.00 32.46 29.92 1c82 n ARG 585 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1c82 n GLY 586 N -0.81 1.34 0.25 -0.13 0.00 -1.21 -4.63 105.19 100.00 1c82 n GLY 586 Ca 0.30 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.98 1c82 n GLY 586 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c82 n TRP 587 N 0.47 0.40 -0.69 1.61 8.01 -1.26 -1.43 117.44 124.54 1c82 n TRP 587 Ca 0.13 0.87 0.08 0.00 -1.31 0.00 0.00 57.50 57.27 1c82 n TRP 587 Cb 0.48 -1.00 0.24 0.00 -2.01 0.00 0.00 31.31 29.01 1c82 n TRP 587 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1c82 n TYR 588 N -5.05 0.88 0.99 -5.99 4.01 -1.26 -4.66 117.16 106.08 1c82 n TYR 588 Ca 0.15 -0.72 0.07 0.00 -0.16 0.00 0.00 57.90 57.24 1c82 n TYR 588 Cb 0.50 -0.22 0.42 0.00 -0.31 0.00 0.00 39.34 39.72 1c82 n TYR 588 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1c82 n THR 589 N 0.02 0.00 -0.69 -0.72 -2.24 -0.52 -2.53 114.28 107.60 1c82 n THR 589 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1c82 n THR 589 Cb 0.75 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1c82 n THR 589 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1c82 n SER 590 N -0.95 0.58 -2.10 3.42 7.64 -1.26 -4.56 113.62 116.39 1c82 n SER 590 Ca 0.11 -1.27 -0.16 0.00 1.01 0.00 0.00 58.87 58.55 1c82 n SER 590 Cb 0.05 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.16 1c82 n SER 590 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1c82 n ASP 591 N -0.14 5.81 -0.17 6.43 9.92 -1.05 -3.48 116.55 133.88 1c82 n ASP 591 Ca 0.00 -2.79 -0.00 0.00 -0.53 0.00 0.00 54.79 51.47 1c82 n ASP 591 Cb 0.39 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 1c82 n ASP 591 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c82 n GLY 592 N 1.60 0.56 3.77 0.44 0.00 -1.04 -4.29 105.19 106.23 1c82 n GLY 592 Ca 0.39 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1c82 n GLY 592 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1c82 s MET 593 N -4.33 4.58 0.17 1.61 0.00 -0.95 -3.78 119.30 116.59 1c82 s MET 593 Ca 0.00 1.43 0.09 0.00 0.00 0.00 0.00 55.69 57.21 1c82 s MET 593 Cb -0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 34.83 31.91 1c82 s MET 593 CO 0.00 0.25 -0.20 -0.59 0.00 0.00 0.00 175.02 174.49 1c82 s PHE 594 N -1.50 1.93 -0.03 4.11 -0.71 -0.53 -0.62 117.98 120.62 1c82 s PHE 594 Ca 0.49 -0.44 0.06 0.00 -1.04 0.00 0.00 56.93 56.01 1c82 s PHE 594 Cb -0.22 -0.96 -0.01 0.00 -1.21 0.00 0.00 43.02 40.61 1c82 s PHE 594 CO 0.27 0.36 -0.22 0.71 -1.34 0.00 0.00 175.22 175.01 1c82 s TYR 595 N -1.91 2.02 -0.15 3.49 1.51 0.17 -4.77 117.35 117.71 1c82 s TYR 595 Ca 0.16 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 1c82 s TYR 595 Cb -0.06 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1c82 s TYR 595 CO 0.07 -0.08 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.09 1c82 s LEU 596 N -0.39 1.90 -0.42 -1.29 2.96 -1.26 -0.50 118.68 119.68 1c82 s LEU 596 Ca 0.05 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 1c82 s LEU 596 Cb -0.10 -1.31 0.07 0.00 0.50 0.00 0.00 46.19 45.36 1c82 s LEU 596 CO 0.00 -0.01 0.27 -0.31 -1.32 0.00 0.00 176.35 174.98 1c82 s TYR 597 N 1.28 3.31 0.00 5.38 2.02 0.47 -4.95 117.35 124.86 1c82 s TYR 597 Ca 0.02 -1.37 0.00 0.00 -0.37 0.00 0.00 57.07 55.36 1c82 s TYR 597 Cb -0.13 -2.92 0.00 0.00 -0.40 0.00 0.00 41.96 38.51 1c82 s TYR 597 CO -0.09 -0.81 0.00 0.27 -1.57 0.00 0.00 175.55 173.34 1c82 n ASN 598 N 4.97 0.54 0.19 2.29 0.23 -1.26 -0.08 115.26 122.13 1c82 n ASN 598 Ca -0.11 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.10 1c82 n ASN 598 Cb 0.43 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 38.90 1c82 n ASN 598 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1c82 h GLY 599 N 0.00 0.00 -7.48 4.83 0.00 -0.71 -3.34 103.07 96.36 1c82 h GLY 599 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1c82 h GLY 599 CO 0.00 0.00 1.35 -0.35 0.00 0.00 0.00 176.54 177.54 1c82 s ASP 600 N -6.21 6.72 0.60 0.19 2.15 -1.26 -4.83 116.67 114.03 1c82 s ASP 600 Ca -0.05 -2.15 0.40 0.00 0.43 0.00 0.00 52.55 51.18 1c82 s ASP 600 Cb 0.17 -2.48 2.11 0.00 -0.30 0.00 0.00 42.92 42.42 1c82 s ASP 600 CO 0.61 -1.13 2.22 -0.07 -0.17 0.00 0.00 175.17 176.63 1c82 h LEU 601 N 11.27 0.00 -1.09 -1.34 4.07 -1.97 -2.15 115.31 124.10 1c82 h LEU 601 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1c82 h LEU 601 Cb 0.96 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1c82 h LEU 601 CO 1.28 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 177.10 1c82 n SER 602 N -2.95 1.68 -0.25 -0.43 3.41 -1.26 -4.64 113.62 109.18 1c82 n SER 602 Ca -0.02 -1.58 -0.05 0.00 -0.26 0.00 0.00 58.87 56.95 1c82 n SER 602 Cb 0.10 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1c82 n SER 602 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1c82 h HIS 603 N 2.56 -1.10 -0.29 7.33 6.17 -1.75 0.86 115.15 128.93 1c82 h HIS 603 Ca 0.00 0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.16 1c82 h HIS 603 Cb 0.55 0.58 0.00 0.00 2.52 0.00 0.00 27.41 31.06 1c82 h HIS 603 CO 0.02 -0.40 0.00 0.66 0.71 0.00 0.00 177.93 178.92 1c82 n TYR 604 N -5.43 0.67 -3.86 5.26 4.01 -1.26 -4.67 117.16 111.87 1c82 n TYR 604 Ca 0.05 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1c82 n TYR 604 Cb 0.36 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1c82 n TYR 604 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1c82 n SER 605 N 0.37 1.91 -3.56 7.72 7.64 0.30 -4.45 113.62 123.54 1c82 n SER 605 Ca 0.11 -0.91 -0.26 0.00 1.01 0.00 0.00 58.87 58.83 1c82 n SER 605 Cb 0.46 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.71 1c82 n SER 605 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1c82 n ASP 606 N -0.99 -5.53 0.00 6.43 8.00 -1.26 -2.67 116.55 120.53 1c82 n ASP 606 Ca 0.00 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1c82 n ASP 606 Cb 0.00 -4.41 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 1c82 n ASP 606 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c82 n GLY 607 N -1.71 0.43 0.06 0.44 0.00 -1.26 -4.94 105.19 98.20 1c82 n GLY 607 Ca -0.01 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 1c82 n GLY 607 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1c82 h TYR 608 N 0.00 0.06 -0.21 1.61 3.20 -1.72 -3.06 116.97 116.85 1c82 h TYR 608 Ca 0.00 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1c82 h TYR 608 Cb 0.51 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1c82 h TYR 608 CO 0.00 0.04 0.08 -1.49 -1.64 0.00 0.00 178.16 175.15 1c82 h TRP 609 N 0.07 0.14 0.00 -3.82 4.06 -1.89 0.14 115.95 114.66 1c82 h TRP 609 Ca 0.02 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1c82 h TRP 609 Cb -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1c82 h TRP 609 CO -0.08 0.07 0.00 -0.35 -3.56 0.00 0.00 178.44 174.52 1c82 n PRO 610 N -5.04 0.17 -0.00 0.49 -0.04 -1.23 -3.72 135.00 125.63 1c82 n PRO 610 Ca -0.02 0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1c82 n PRO 610 Cb 0.07 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 1c82 n PRO 610 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1c82 n THR 611 N -1.39 0.00 -2.05 0.52 -2.24 -0.97 -3.84 114.28 104.30 1c82 n THR 611 Ca 0.08 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.28 1c82 n THR 611 Cb 0.22 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 1c82 n THR 611 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1c82 s VAL 612 N -2.40 2.60 -0.48 2.28 0.11 0.47 -4.66 120.40 118.32 1c82 s VAL 612 Ca -0.02 0.57 -0.28 0.00 -2.93 0.00 0.00 61.98 59.32 1c82 s VAL 612 Cb 0.05 -3.35 0.01 0.00 -1.53 0.00 0.00 36.38 31.55 1c82 s VAL 612 CO 0.29 0.11 1.46 0.21 -3.33 0.00 0.00 175.10 173.85 1c82 s ASN 613 N -0.57 6.16 0.28 3.54 3.84 -1.26 -4.88 114.94 122.05 1c82 s ASN 613 Ca 0.53 0.61 0.18 0.00 0.21 0.00 0.00 52.86 54.39 1c82 s ASN 613 Cb -0.40 -2.54 0.95 0.00 -0.55 0.00 0.00 41.25 38.72 1c82 s ASN 613 CO 0.52 -1.62 1.51 -0.81 -2.79 0.00 0.00 177.10 173.92 1c82 n PRO 614 N 8.40 0.11 0.01 0.43 -0.04 -1.26 -1.48 135.00 141.17 1c82 n PRO 614 Ca 0.15 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 1c82 n PRO 614 Cb 0.49 -1.93 0.27 0.00 -0.04 0.00 0.00 33.50 32.28 1c82 n PRO 614 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1c82 n TYR 615 N -2.13 0.08 -2.60 0.54 4.01 -1.26 -4.31 117.16 111.49 1c82 n TYR 615 Ca -0.01 0.02 -0.21 0.00 -0.16 0.00 0.00 57.90 57.54 1c82 n TYR 615 Cb 0.09 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.79 1c82 n TYR 615 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1c82 n LYS 616 N -1.59 2.63 -2.01 -0.72 5.02 -0.55 -4.95 118.16 116.00 1c82 n LYS 616 Ca 0.05 -4.12 -0.42 0.00 -2.02 0.00 0.00 58.31 51.81 1c82 n LYS 616 Cb 0.35 -1.93 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 1c82 n LYS 616 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1c82 s MET 617 N -3.36 4.25 0.04 1.97 -1.94 -1.26 -4.70 119.30 114.29 1c82 s MET 617 Ca 0.42 2.28 -0.37 0.00 -1.71 0.00 0.00 55.69 56.31 1c82 s MET 617 Cb 0.41 -3.17 -0.16 0.00 2.01 0.00 0.00 34.83 33.92 1c82 s MET 617 CO -0.11 -0.52 1.46 -0.35 -0.01 0.00 0.00 175.02 175.48 1c82 n PRO 618 N 3.58 1.34 0.00 2.03 -0.04 -1.26 -1.96 135.00 138.69 1c82 n PRO 618 Ca 0.12 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 1c82 n PRO 618 Cb 0.40 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1c82 n PRO 618 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c82 n GLY 619 N 2.98 3.20 3.78 0.55 0.00 0.21 -1.46 105.19 114.44 1c82 n GLY 619 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1c82 n GLY 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1c82 s THR 620 N -2.08 3.72 -0.28 2.61 -4.23 -0.83 -4.67 115.64 109.89 1c82 s THR 620 Ca 0.00 1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 61.80 1c82 s THR 620 Cb 0.00 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.16 1c82 s THR 620 CO 0.00 0.02 0.03 -0.89 -0.54 0.00 0.00 174.62 173.24 1c82 s THR 621 N -1.64 3.56 0.16 3.99 2.01 -1.26 -0.63 115.64 121.84 1c82 s THR 621 Ca 0.57 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 1c82 s THR 621 Cb -0.22 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1c82 s THR 621 CO 0.28 0.11 0.28 -1.61 -0.69 0.00 0.00 174.62 173.00 1c82 s GLU 622 N 1.43 1.15 0.47 4.92 0.41 -0.91 -4.95 118.70 121.24 1c82 s GLU 622 Ca 0.01 -1.17 0.02 0.00 -0.41 0.00 0.00 54.97 53.42 1c82 s GLU 622 Cb -0.17 0.38 0.01 0.00 -1.78 0.00 0.00 34.13 32.57 1c82 s GLU 622 CO -0.00 -0.42 0.68 0.95 -0.49 0.00 0.00 175.26 175.98 1c82 s THR 623 N -3.97 3.44 -0.87 3.63 -4.23 -1.26 -1.71 115.64 110.68 1c82 s THR 623 Ca 0.17 -0.65 0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1c82 s THR 623 Cb 0.03 -3.26 0.34 0.00 1.34 0.00 0.00 72.50 70.96 1c82 s THR 623 CO -0.00 -0.17 1.06 -0.90 -0.54 0.00 0.00 174.62 174.08 1c82 n ASP 624 N -2.11 2.84 -4.75 3.99 5.68 -0.15 -4.94 116.55 117.10 1c82 n ASP 624 Ca 0.04 -2.34 -0.41 0.00 -0.50 0.00 0.00 54.79 51.59 1c82 n ASP 624 Cb 0.59 -0.53 0.01 0.00 -1.14 0.00 0.00 41.12 40.05 1c82 n ASP 624 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1c82 n ALA 625 N 0.29 1.90 -1.76 2.12 0.00 -1.26 -4.93 120.51 116.87 1c82 n ALA 625 Ca 0.12 0.28 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 1c82 n ALA 625 Cb 0.60 -2.36 0.02 0.00 0.00 0.00 0.00 19.45 17.71 1c82 n ALA 625 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1c82 s LYS 626 N -2.28 3.21 0.08 0.00 0.00 -1.26 -5.04 119.74 114.45 1c82 s LYS 626 Ca 0.59 1.79 0.08 0.00 0.00 0.00 0.00 55.97 58.44 1c82 s LYS 626 Cb -0.48 -2.05 -0.03 0.00 0.00 0.00 0.00 37.83 35.27 1c82 s LYS 626 CO 0.59 -1.01 -0.22 1.03 0.00 0.00 0.00 175.35 175.75 1c82 s ARG 627 N -3.19 1.27 0.01 1.78 1.81 -1.26 -5.14 118.95 114.23 1c82 s ARG 627 Ca 0.74 -1.09 -0.13 0.00 -1.72 0.00 0.00 55.73 53.53 1c82 s ARG 627 Cb -0.29 -1.49 -0.06 0.00 -0.45 0.00 0.00 34.95 32.66 1c82 s ARG 627 CO 0.33 0.36 0.38 0.00 -0.68 0.00 0.00 175.30 175.69 1c82 s ALA 628 N -1.00 3.72 0.37 2.13 0.00 -1.26 -4.99 121.76 120.72 1c82 s ALA 628 Ca 0.08 -0.30 0.10 0.00 0.00 0.00 0.00 51.96 51.84 1c82 s ALA 628 Cb -0.10 -2.32 0.70 0.00 0.00 0.00 0.00 23.12 21.41 1c82 s ALA 628 CO 0.03 0.52 1.84 -0.44 0.00 0.00 0.00 175.76 177.71 1c82 h ASP 629 N 4.47 0.13 0.56 0.00 3.32 -2.00 -2.79 116.42 120.11 1c82 h ASP 629 Ca -0.51 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1c82 h ASP 629 Cb 1.21 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1c82 h ASP 629 CO 0.62 0.42 0.00 -1.54 -1.72 0.00 0.00 179.24 177.02 1c82 n SER 630 N -4.16 0.00 -4.71 6.45 3.41 -1.26 -4.77 113.62 108.58 1c82 n SER 630 Ca -0.01 0.46 -0.31 0.00 -0.26 0.00 0.00 58.87 58.74 1c82 n SER 630 Cb 0.37 -0.48 0.14 0.00 -0.26 0.00 0.00 64.21 63.97 1c82 n SER 630 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1c82 s ASP 631 N -2.96 3.53 0.27 4.04 1.11 -1.05 -5.06 116.67 116.54 1c82 s ASP 631 Ca 0.09 2.04 0.03 0.00 0.18 0.00 0.00 52.55 54.89 1c82 s ASP 631 Cb 0.11 -2.55 -0.06 0.00 1.07 0.00 0.00 42.92 41.50 1c82 s ASP 631 CO 0.31 -2.69 0.05 0.42 1.18 0.00 0.00 175.17 174.43 1c82 s THR 632 N -2.75 0.95 1.02 -1.27 -4.23 -1.26 -4.86 115.64 103.24 1c82 s THR 632 Ca 0.65 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.03 1c82 s THR 632 Cb -0.21 -2.59 0.20 0.00 1.34 0.00 0.00 72.50 71.25 1c82 s THR 632 CO 0.57 -0.12 1.08 -0.83 -0.54 0.00 0.00 174.62 174.79 1c82 s GLY 633 N -3.37 1.61 0.13 3.99 0.00 -1.21 -5.01 107.32 103.46 1c82 s GLY 633 Ca 0.34 0.15 -0.05 0.00 0.00 0.00 0.00 44.72 45.16 1c82 s GLY 633 CO 0.13 0.71 0.16 0.54 0.00 0.00 0.00 173.10 174.64 1c82 s LYS 634 N -4.63 0.99 0.44 2.90 -0.14 -1.26 -4.92 119.74 113.12 1c82 s LYS 634 Ca 0.67 -1.26 0.04 0.00 -1.36 0.00 0.00 55.97 54.05 1c82 s LYS 634 Cb -0.23 0.31 0.01 0.00 -1.68 0.00 0.00 37.83 36.24 1c82 s LYS 634 CO 0.61 -0.32 0.62 0.14 -0.76 0.00 0.00 175.35 175.64 1c82 s VAL 635 N -3.99 3.49 0.12 3.17 -7.23 -1.26 -1.24 120.40 113.46 1c82 s VAL 635 Ca 0.18 -0.78 -0.15 0.00 -1.81 0.00 0.00 61.98 59.42 1c82 s VAL 635 Cb 0.05 -3.24 -0.07 0.00 0.56 0.00 0.00 36.38 33.68 1c82 s VAL 635 CO -0.01 -0.13 0.54 -0.22 -0.31 0.00 0.00 175.10 174.97 1c82 s LEU 636 N -4.46 4.40 0.31 1.32 2.96 0.22 -4.90 118.68 118.52 1c82 s LEU 636 Ca 0.51 1.11 0.01 0.00 -0.22 0.00 0.00 54.13 55.54 1c82 s LEU 636 Cb -0.10 -3.12 0.54 0.00 0.50 0.00 0.00 46.19 44.00 1c82 s LEU 636 CO 0.35 0.16 1.93 -0.65 -1.32 0.00 0.00 176.35 176.82 1c82 h PRO 637 N 3.88 0.99 -6.24 0.98 0.11 -1.92 -2.82 132.00 126.98 1c82 h PRO 637 Ca -0.49 -0.06 -0.57 0.00 0.11 0.00 0.00 66.00 64.99 1c82 h PRO 637 Cb 1.20 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1c82 h PRO 637 CO 0.65 0.65 -0.20 0.45 -0.21 0.00 0.00 178.00 179.34 1c82 s SER 638 N -6.09 6.63 0.00 -2.05 0.15 -1.26 -4.78 113.70 106.30 1c82 s SER 638 Ca -0.11 0.83 0.23 0.00 0.70 0.00 0.00 55.95 57.60 1c82 s SER 638 Cb 0.19 -2.19 0.13 0.00 -1.71 0.00 0.00 66.02 62.45 1c82 s SER 638 CO 0.79 0.07 1.19 0.00 1.20 0.00 0.00 173.24 176.49 1c82 n ALA 639 N 0.43 3.20 -2.13 5.45 0.00 -1.26 -2.13 120.51 124.08 1c82 n ALA 639 Ca -0.04 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.34 1c82 n ALA 639 Cb 0.52 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1c82 n ALA 639 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1c82 n PHE 640 N 0.31 3.95 -3.68 0.00 7.35 -1.26 -3.77 117.46 120.36 1c82 n PHE 640 Ca 0.11 -2.93 -0.15 0.00 -0.76 0.00 0.00 57.45 53.72 1c82 n PHE 640 Cb 0.49 -2.52 -0.14 0.00 0.35 0.00 0.00 39.48 37.65 1c82 n PHE 640 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1c82 s VAL 641 N 3.27 -0.26 0.00 -2.13 1.01 -1.26 -1.29 120.40 119.75 1c82 s VAL 641 Ca 0.49 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1c82 s VAL 641 Cb 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1c82 s VAL 641 CO -0.02 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1c82 n GLY 642 N 5.05 0.79 3.17 4.51 0.00 -0.92 -4.77 105.19 113.02 1c82 n GLY 642 Ca -0.11 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1c82 n GLY 642 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c82 s THR 643 N -2.00 1.74 -0.34 2.61 2.01 -1.26 -1.93 115.64 116.47 1c82 s THR 643 Ca 0.00 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 1c82 s THR 643 Cb 0.00 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 71.03 1c82 s THR 643 CO 0.00 0.49 0.13 -0.55 -0.69 0.00 0.00 174.62 174.00 1c82 s SER 644 N 0.30 5.41 -0.15 3.53 0.15 0.32 -4.95 113.70 118.31 1c82 s SER 644 Ca -0.13 -0.95 -0.13 0.00 0.70 0.00 0.00 55.95 55.43 1c82 s SER 644 Cb -0.16 -1.93 -0.05 0.00 -1.71 0.00 0.00 66.02 62.18 1c82 s SER 644 CO 0.06 -0.30 0.29 -0.75 1.20 0.00 0.00 173.24 173.73 1c82 s LYS 645 N 1.48 4.19 -0.21 5.44 2.20 -1.26 -1.38 119.74 130.19 1c82 s LYS 645 Ca 0.01 0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.53 1c82 s LYS 645 Cb -0.19 -3.40 -0.19 0.00 -1.51 0.00 0.00 37.83 32.55 1c82 s LYS 645 CO 0.04 0.30 0.12 -0.11 -0.36 0.00 0.00 175.35 175.34 1c82 n LEU 646 N 3.37 1.97 0.00 5.43 7.94 -0.31 -4.87 117.00 130.54 1c82 n LEU 646 Ca -0.13 0.38 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1c82 n LEU 646 Cb 0.52 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.51 1c82 n LEU 646 CO 0.39 0.40 0.00 -0.90 -1.11 0.00 0.00 177.39 176.17 1c82 n ASP 647 N -4.29 0.00 0.07 1.96 5.68 -1.12 -5.01 116.55 113.84 1c82 n ASP 647 Ca -0.36 -0.49 0.08 0.00 -0.50 0.00 0.00 54.79 53.52 1c82 n ASP 647 Cb 0.76 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 41.09 1c82 n ASP 647 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1c82 n ASP 648 N -0.78 0.30 0.00 -1.12 8.00 -1.26 -3.56 116.55 118.13 1c82 n ASP 648 Ca 0.00 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1c82 n ASP 648 Cb 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 1c82 n ASP 648 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c82 n ALA 649 N -1.63 1.44 -2.98 2.24 0.00 -1.26 -3.16 120.51 115.16 1c82 n ALA 649 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.20 1c82 n ALA 649 Cb 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.41 1c82 n ALA 649 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1c82 s ASN 650 N -1.03 2.10 0.06 0.00 0.01 -1.23 -0.25 114.94 114.59 1c82 s ASN 650 Ca 0.00 -0.35 -0.26 0.00 -0.71 0.00 0.00 52.86 51.54 1c82 s ASN 650 Cb 0.00 -0.64 0.08 0.00 0.41 0.00 0.00 41.25 41.11 1c82 s ASN 650 CO 0.00 0.14 0.73 0.00 -1.51 0.00 0.00 177.10 176.46 1c82 s ALA 651 N 0.12 -1.72 0.02 0.60 0.00 -0.65 -1.16 121.76 118.98 1c82 s ALA 651 Ca -0.05 0.85 0.04 0.00 0.00 0.00 0.00 51.96 52.80 1c82 s ALA 651 Cb -0.12 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1c82 s ALA 651 CO 0.02 -0.66 -0.13 0.99 0.00 0.00 0.00 175.76 175.99 1c82 s THR 652 N -3.02 1.01 0.04 0.00 2.01 -0.48 -0.70 115.64 114.51 1c82 s THR 652 Ca 0.00 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.19 1c82 s THR 652 Cb -0.01 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1c82 s THR 652 CO -0.08 0.08 -0.04 0.00 -0.69 0.00 0.00 174.62 173.90 1c82 s ALA 653 N -0.66 0.41 0.08 7.40 0.00 0.11 -0.52 121.76 128.58 1c82 s ALA 653 Ca 0.02 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 1c82 s ALA 653 Cb -0.07 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1c82 s ALA 653 CO 0.01 -0.25 0.12 -0.08 0.00 0.00 0.00 175.76 175.55 1c82 s THR 654 N -2.77 0.17 -0.22 0.00 -1.32 -0.81 -0.55 115.64 110.14 1c82 s THR 654 Ca -0.03 -1.38 -0.03 0.00 -1.21 0.00 0.00 61.69 59.04 1c82 s THR 654 Cb -0.00 -1.40 0.11 0.00 -1.51 0.00 0.00 72.50 69.70 1c82 s THR 654 CO -0.05 -0.76 0.29 -0.32 -2.21 0.00 0.00 174.62 171.57 1c82 s MET 655 N -3.88 0.26 -1.15 7.08 0.00 0.61 -2.16 119.30 120.05 1c82 s MET 655 Ca 0.06 0.35 -0.21 0.00 0.00 0.00 0.00 55.69 55.88 1c82 s MET 655 Cb 0.06 -0.89 -0.06 0.00 0.00 0.00 0.00 34.83 33.94 1c82 s MET 655 CO -0.11 -0.65 1.91 -3.47 0.00 0.00 0.00 175.02 172.70 1c82 n ASP 656 N 5.34 3.41 -4.74 1.11 2.03 -0.41 -2.46 116.55 120.83 1c82 n ASP 656 Ca -0.05 -2.75 -0.41 0.00 0.52 0.00 0.00 54.79 52.11 1c82 n ASP 656 Cb 0.50 -1.63 -0.04 0.00 -0.72 0.00 0.00 41.12 39.22 1c82 n ASP 656 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1c82 s PHE 657 N 8.27 3.53 -0.03 -0.67 5.36 -0.82 -4.62 117.98 128.99 1c82 s PHE 657 Ca 0.63 1.57 -0.01 0.00 -0.96 0.00 0.00 56.93 58.15 1c82 s PHE 657 Cb 0.04 -3.34 0.03 0.00 -0.34 0.00 0.00 43.02 39.41 1c82 s PHE 657 CO 0.11 -0.81 0.06 0.99 -1.46 0.00 0.00 175.22 174.12 1c82 s THR 658 N -0.45 -0.04 0.99 0.12 2.01 -1.26 -1.84 115.64 115.18 1c82 s THR 658 Ca 0.49 0.15 -0.16 0.00 0.31 0.00 0.00 61.69 62.48 1c82 s THR 658 Cb -0.31 -0.12 0.20 0.00 0.01 0.00 0.00 72.50 72.28 1c82 s THR 658 CO 0.37 0.06 1.25 0.54 -0.69 0.00 0.00 174.62 176.15 1c82 s ASN 659 N 0.83 2.83 0.35 3.53 4.22 -0.37 -4.91 114.94 121.43 1c82 s ASN 659 Ca -0.07 0.46 0.13 0.00 -2.14 0.00 0.00 52.86 51.24 1c82 s ASN 659 Cb -0.09 -0.64 0.96 0.00 1.28 0.00 0.00 41.25 42.75 1c82 s ASN 659 CO -0.03 -2.93 1.76 4.11 -2.04 0.00 0.00 177.10 177.97 1c82 h TRP 660 N -1.77 0.87 -0.36 1.54 5.08 -1.98 -2.09 115.95 117.24 1c82 h TRP 660 Ca -0.45 0.03 -0.14 0.00 1.08 0.00 0.00 58.89 59.41 1c82 h TRP 660 Cb 1.27 -0.25 -0.08 0.00 -3.00 0.00 0.00 29.16 27.09 1c82 h TRP 660 CO -1.08 0.09 0.00 0.27 -1.28 0.00 0.00 178.44 176.45 1c82 n ASN 661 N -4.75 3.10 -4.08 0.11 2.04 -1.26 -4.98 115.26 105.43 1c82 n ASN 661 Ca 0.26 -3.48 -0.34 0.00 -0.44 0.00 0.00 54.58 50.58 1c82 n ASN 661 Cb 0.77 -0.62 -0.03 0.00 -2.53 0.00 0.00 39.78 37.38 1c82 n ASN 661 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1c82 n GLN 662 N -0.90 -1.38 0.00 -3.83 3.00 -0.79 -4.85 117.38 108.63 1c82 n GLN 662 Ca 0.31 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 1c82 n GLN 662 Cb 1.03 -3.60 0.00 0.00 0.00 0.00 0.00 30.24 27.67 1c82 n GLN 662 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1c82 n THR 663 N -4.62 0.00 -3.78 5.09 -2.24 -1.26 -4.97 114.28 102.49 1c82 n THR 663 Ca -0.24 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 60.94 1c82 n THR 663 Cb 0.65 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.79 1c82 n THR 663 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1c82 s LEU 664 N -0.90 0.99 0.19 3.22 0.20 -1.26 -1.16 118.68 119.96 1c82 s LEU 664 Ca 0.00 0.42 0.03 0.00 0.69 0.00 0.00 54.13 55.26 1c82 s LEU 664 Cb 0.00 0.96 -0.05 0.00 -0.43 0.00 0.00 46.19 46.67 1c82 s LEU 664 CO 0.00 -0.17 -0.01 0.42 -0.29 0.00 0.00 176.35 176.30 1c82 s THR 665 N -0.20 0.86 -0.29 3.68 -4.23 -0.81 -1.23 115.64 113.42 1c82 s THR 665 Ca -0.03 -2.01 -0.19 0.00 -1.18 0.00 0.00 61.69 58.28 1c82 s THR 665 Cb -0.03 -2.17 0.17 0.00 1.34 0.00 0.00 72.50 71.81 1c82 s THR 665 CO 0.01 -0.45 1.17 0.00 -0.54 0.00 0.00 174.62 174.81 1c82 s ALA 666 N -3.53 -2.34 -0.81 3.99 0.00 -0.77 -2.59 121.76 115.70 1c82 s ALA 666 Ca 0.25 1.98 -0.21 0.00 0.00 0.00 0.00 51.96 53.98 1c82 s ALA 666 Cb 0.05 -1.77 0.10 0.00 0.00 0.00 0.00 23.12 21.50 1c82 s ALA 666 CO 0.05 -0.27 1.07 -1.01 0.00 0.00 0.00 175.76 175.61 1c82 s HIS 667 N 0.81 2.87 -0.11 0.00 3.76 -0.06 -1.95 115.29 120.61 1c82 s HIS 667 Ca -0.04 -0.96 -0.17 0.00 -0.15 0.00 0.00 55.06 53.74 1c82 s HIS 667 Cb -0.04 -4.32 -0.05 0.00 1.11 0.00 0.00 32.58 29.29 1c82 s HIS 667 CO -0.12 -1.59 0.43 0.15 -0.85 0.00 0.00 174.74 172.75 1c82 s LYS 668 N 3.49 4.26 0.06 1.40 1.02 -1.03 -2.02 119.74 126.92 1c82 s LYS 668 Ca 0.29 0.37 0.01 0.00 0.02 0.00 0.00 55.97 56.66 1c82 s LYS 668 Cb -0.10 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1c82 s LYS 668 CO -0.00 0.26 -0.06 -1.12 -0.92 0.00 0.00 175.35 173.51 1c82 s SER 669 N 0.31 0.78 -0.01 2.83 0.01 0.18 -0.29 113.70 117.52 1c82 s SER 669 Ca 0.24 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.74 1c82 s SER 669 Cb -0.15 0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 1c82 s SER 669 CO 0.10 -0.38 -0.06 0.26 0.41 0.00 0.00 173.24 173.57 1c82 s TRP 670 N -2.59 0.58 -0.37 2.43 0.51 0.29 -0.60 118.94 119.19 1c82 s TRP 670 Ca -0.01 -0.11 0.03 0.00 -2.12 0.00 0.00 56.10 53.88 1c82 s TRP 670 Cb -0.02 -0.39 0.11 0.00 -0.81 0.00 0.00 33.47 32.36 1c82 s TRP 670 CO -0.03 -0.03 0.12 -0.06 -0.51 0.00 0.00 176.95 176.44 1c82 s PHE 671 N -0.04 3.02 -0.53 -1.98 0.40 -0.04 -0.71 117.98 118.09 1c82 s PHE 671 Ca 0.01 -2.69 -0.28 0.00 -0.60 0.00 0.00 56.93 53.37 1c82 s PHE 671 Cb -0.04 -2.53 0.03 0.00 0.51 0.00 0.00 43.02 41.00 1c82 s PHE 671 CO -0.00 -0.88 1.12 -1.64 0.70 0.00 0.00 175.22 174.52 1c82 s MET 672 N 0.80 3.57 -0.65 0.44 -1.94 0.12 -1.14 119.30 120.50 1c82 s MET 672 Ca 0.12 0.29 0.05 0.00 -1.71 0.00 0.00 55.69 54.45 1c82 s MET 672 Cb -0.20 -3.97 0.27 0.00 2.01 0.00 0.00 34.83 32.93 1c82 s MET 672 CO -0.10 -1.51 0.82 1.28 -0.01 0.00 0.00 175.02 175.51 1c82 n LEU 673 N 8.00 4.05 0.00 -0.03 4.77 -0.43 -1.63 117.00 131.73 1c82 n LEU 673 Ca 0.09 -5.48 0.00 0.00 -0.03 0.00 0.00 56.01 50.59 1c82 n LEU 673 Cb 0.49 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1c82 n LEU 673 CO 0.70 2.09 0.00 1.17 -1.33 0.00 0.00 177.39 180.02 1c82 n LYS 674 N 0.68 0.00 -0.23 3.23 4.81 0.65 -3.39 118.16 123.91 1c82 n LYS 674 Ca 0.30 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.81 1c82 n LYS 674 Cb 0.40 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.62 1c82 n LYS 674 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1c82 n ASP 675 N 0.67 3.04 -3.63 3.14 5.68 -1.26 -4.81 116.55 119.37 1c82 n ASP 675 Ca 0.00 -2.68 -0.07 0.00 -0.50 0.00 0.00 54.79 51.54 1c82 n ASP 675 Cb 0.00 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 39.59 1c82 n ASP 675 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1c82 s LYS 676 N -2.21 1.19 -0.04 0.11 -2.85 -1.22 -4.40 119.74 110.33 1c82 s LYS 676 Ca 0.30 -0.57 -0.00 0.00 -1.00 0.00 0.00 55.97 54.70 1c82 s LYS 676 Cb 0.23 0.47 0.03 0.00 -2.06 0.00 0.00 37.83 36.49 1c82 s LYS 676 CO 0.08 -0.54 -0.00 0.42 0.10 0.00 0.00 175.35 175.41 1c82 s ILE 677 N -3.42 0.26 -0.04 3.79 1.09 -0.46 -1.31 121.20 121.10 1c82 s ILE 677 Ca 0.08 0.09 -0.13 0.00 -1.10 0.00 0.00 60.65 59.58 1c82 s ILE 677 Cb -0.02 -0.37 -0.05 0.00 -1.06 0.00 0.00 42.46 40.96 1c82 s ILE 677 CO -0.03 0.19 0.34 0.00 -0.10 0.00 0.00 174.94 175.34 1c82 s ALA 678 N 1.30 3.72 -0.23 9.38 0.00 -0.29 0.38 121.76 136.02 1c82 s ALA 678 Ca -0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 1c82 s ALA 678 Cb -0.13 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1c82 s ALA 678 CO -0.02 0.45 -0.06 -0.06 0.00 0.00 0.00 175.76 176.07 1c82 s PHE 679 N -0.85 2.97 -0.03 0.00 0.40 0.48 -0.87 117.98 120.08 1c82 s PHE 679 Ca 0.21 -1.15 0.06 0.00 -0.60 0.00 0.00 56.93 55.45 1c82 s PHE 679 Cb -0.15 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 1c82 s PHE 679 CO 0.10 -0.62 -0.21 -0.51 0.70 0.00 0.00 175.22 174.68 1c82 s LEU 680 N 1.43 2.02 -0.05 -0.37 1.43 0.23 -2.02 118.68 121.35 1c82 s LEU 680 Ca 0.04 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1c82 s LEU 680 Cb -0.15 -1.13 0.04 0.00 0.03 0.00 0.00 46.19 44.98 1c82 s LEU 680 CO -0.04 0.24 0.11 -0.83 0.23 0.00 0.00 176.35 176.05 1c82 s GLY 681 N -0.35 0.02 0.30 -3.19 0.00 -0.44 0.52 107.32 104.16 1c82 s GLY 681 Ca 0.04 0.55 0.04 0.00 0.00 0.00 0.00 44.72 45.36 1c82 s GLY 681 CO 0.00 0.89 0.21 -1.35 0.00 0.00 0.00 173.10 172.85 1c82 s SER 682 N 1.14 1.35 -1.47 1.64 1.04 -0.86 -1.02 113.70 115.53 1c82 s SER 682 Ca -0.09 -1.62 -0.11 0.00 0.48 0.00 0.00 55.95 54.61 1c82 s SER 682 Cb -0.12 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.53 1c82 s SER 682 CO -0.05 -0.96 0.96 -3.20 0.98 0.00 0.00 173.24 170.97 1c82 n ASN 683 N -1.08 -4.34 -4.62 7.02 4.05 -1.19 -0.88 115.26 114.21 1c82 n ASN 683 Ca 0.04 -0.76 -0.43 0.00 0.45 0.00 0.00 54.58 53.88 1c82 n ASN 683 Cb 0.64 -4.05 -0.03 0.00 1.23 0.00 0.00 39.78 37.58 1c82 n ASN 683 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1c82 s ILE 684 N -3.37 4.49 0.03 -1.44 1.01 -0.70 -3.98 121.20 117.25 1c82 s ILE 684 Ca 0.54 1.52 0.06 0.00 0.00 0.00 0.00 60.65 62.77 1c82 s ILE 684 Cb -0.27 -4.41 -0.02 0.00 0.01 0.00 0.00 42.46 37.77 1c82 s ILE 684 CO 0.82 -0.56 -0.18 -1.10 0.00 0.00 0.00 174.94 173.91 1c82 s GLN 685 N 3.70 1.27 -0.07 2.79 -0.21 -1.07 -0.19 119.66 125.87 1c82 s GLN 685 Ca 0.44 -0.84 -0.02 0.00 0.02 0.00 0.00 55.36 54.95 1c82 s GLN 685 Cb -0.11 -1.33 0.04 0.00 1.00 0.00 0.00 33.01 32.60 1c82 s GLN 685 CO 0.18 0.34 0.05 1.21 -2.12 0.00 0.00 175.29 174.96 1c82 s ASN 686 N -1.04 1.51 0.00 5.90 2.47 -1.26 -1.92 114.94 120.60 1c82 s ASN 686 Ca 0.06 -0.11 0.22 0.00 0.42 0.00 0.00 52.86 53.45 1c82 s ASN 686 Cb -0.08 -0.24 -0.07 0.00 -1.45 0.00 0.00 41.25 39.41 1c82 s ASN 686 CO 0.01 -0.26 1.03 0.35 -3.72 0.00 0.00 177.10 174.51 1c82 n THR 687 N 5.25 0.00 -2.09 -5.21 -2.24 -0.31 -4.96 114.28 104.73 1c82 n THR 687 Ca -0.05 -0.19 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 1c82 n THR 687 Cb 0.50 1.19 0.13 0.00 -2.10 0.00 0.00 70.33 70.04 1c82 n THR 687 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1c82 n SER 688 N -0.43 0.53 -0.06 3.42 3.41 -1.26 -5.01 113.62 114.21 1c82 n SER 688 Ca 0.08 -1.61 0.10 0.00 -0.26 0.00 0.00 58.87 57.18 1c82 n SER 688 Cb 0.43 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 1c82 n SER 688 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1c82 n THR 689 N -3.01 0.00 -1.79 6.66 -2.24 -1.26 -4.95 114.28 107.70 1c82 n THR 689 Ca 0.13 -0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.57 1c82 n THR 689 Cb 0.45 0.95 0.04 0.00 -2.10 0.00 0.00 70.33 69.67 1c82 n THR 689 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1c82 s ASP 690 N -2.93 5.56 0.18 3.42 1.01 -1.26 -5.05 116.67 117.60 1c82 s ASP 690 Ca 0.10 1.32 -0.16 0.00 0.71 0.00 0.00 52.55 54.52 1c82 s ASP 690 Cb 0.16 -2.20 -0.07 0.00 1.01 0.00 0.00 42.92 41.82 1c82 s ASP 690 CO 0.81 -1.29 0.61 0.42 0.21 0.00 0.00 175.17 175.94 1c82 s THR 691 N -3.23 4.76 0.07 -1.27 -4.23 -1.26 -4.84 115.64 105.65 1c82 s THR 691 Ca 0.57 0.96 0.05 0.00 -1.18 0.00 0.00 61.69 62.10 1c82 s THR 691 Cb -0.12 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 69.92 1c82 s THR 691 CO 0.53 0.19 -0.04 0.00 -0.54 0.00 0.00 174.62 174.76 1c82 s ALA 692 N -1.53 3.14 -0.07 3.99 0.00 -1.26 -0.98 121.76 125.04 1c82 s ALA 692 Ca 0.41 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 1c82 s ALA 692 Cb -0.15 -1.10 0.10 0.00 0.00 0.00 0.00 23.12 21.97 1c82 s ALA 692 CO 0.20 0.66 0.86 0.00 0.00 0.00 0.00 175.76 177.48 1c82 s ALA 693 N -1.21 -1.84 -0.14 0.00 0.00 -0.69 -0.97 121.76 116.91 1c82 s ALA 693 Ca 0.22 1.32 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 1c82 s ALA 693 Cb -0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1c82 s ALA 693 CO 0.14 -0.44 0.01 0.99 0.00 0.00 0.00 175.76 176.46 1c82 s THR 694 N -1.76 4.35 -0.41 0.00 2.01 0.02 -2.13 115.64 117.71 1c82 s THR 694 Ca -0.02 -0.21 -0.24 0.00 0.31 0.00 0.00 61.69 61.53 1c82 s THR 694 Cb -0.00 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.62 1c82 s THR 694 CO 0.00 0.52 0.84 -0.89 -0.69 0.00 0.00 174.62 174.41 1c82 s THR 695 N -0.05 4.62 0.20 -0.82 2.01 0.20 -1.27 115.64 120.53 1c82 s THR 695 Ca 0.04 0.79 -0.01 0.00 0.31 0.00 0.00 61.69 62.82 1c82 s THR 695 Cb -0.13 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 1c82 s THR 695 CO 0.02 -0.62 1.52 0.40 -0.69 0.00 0.00 174.62 175.25 1c82 h ILE 696 N 5.90 1.34 -1.75 1.82 2.04 -0.79 0.60 117.51 126.68 1c82 h ILE 696 Ca -0.24 -1.84 0.20 0.00 1.00 0.00 0.00 64.86 63.97 1c82 h ILE 696 Cb 1.08 1.83 -0.18 0.00 -0.74 0.00 0.00 36.82 38.82 1c82 h ILE 696 CO 0.96 0.56 0.69 -0.62 0.00 0.00 0.00 178.15 179.75 1c82 s ASP 697 N -6.92 -0.22 -0.37 1.72 -1.08 -0.97 -4.27 116.67 104.57 1c82 s ASP 697 Ca -0.06 0.02 0.04 0.00 -0.52 0.00 0.00 52.55 52.02 1c82 s ASP 697 Cb 0.11 0.23 0.16 0.00 -1.46 0.00 0.00 42.92 41.96 1c82 s ASP 697 CO 0.83 -0.36 0.42 -1.58 0.52 0.00 0.00 175.17 174.99 1c82 s GLN 698 N -2.57 0.63 -0.19 4.34 0.74 -1.25 -0.82 119.66 120.55 1c82 s GLN 698 Ca 0.07 -0.63 -0.10 0.00 0.05 0.00 0.00 55.36 54.76 1c82 s GLN 698 Cb -0.01 -0.54 -0.05 0.00 1.10 0.00 0.00 33.01 33.51 1c82 s GLN 698 CO -0.06 -1.17 0.13 0.50 -0.55 0.00 0.00 175.29 174.14 1c82 s ARG 699 N 1.65 4.09 -0.07 1.67 6.06 0.14 -4.84 118.95 127.65 1c82 s ARG 699 Ca 0.16 -0.21 -0.29 0.00 -2.50 0.00 0.00 55.73 52.88 1c82 s ARG 699 Cb -0.13 -3.38 -0.02 0.00 0.06 0.00 0.00 34.95 31.47 1c82 s ARG 699 CO -0.08 0.36 0.97 0.21 -2.50 0.00 0.00 175.30 174.26 1c82 s LYS 700 N 0.18 4.47 0.49 5.12 2.20 -1.26 -0.97 119.74 129.96 1c82 s LYS 700 Ca 0.09 1.34 -0.01 0.00 -0.36 0.00 0.00 55.97 57.04 1c82 s LYS 700 Cb -0.11 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1c82 s LYS 700 CO -0.01 -0.19 0.72 -0.51 -0.36 0.00 0.00 175.35 175.00 1c82 s LEU 701 N 1.57 3.53 -0.19 5.43 1.43 0.35 -4.94 118.68 125.87 1c82 s LEU 701 Ca 0.48 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 1c82 s LEU 701 Cb -0.19 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 42.84 1c82 s LEU 701 CO 0.21 -0.82 -0.11 -1.61 0.23 0.00 0.00 176.35 174.26 1c82 s GLU 702 N -4.65 3.26 0.61 1.70 2.02 -1.26 -4.64 118.70 115.73 1c82 s GLU 702 Ca 0.50 -0.70 0.40 0.00 0.02 0.00 0.00 54.97 55.19 1c82 s GLU 702 Cb -0.10 -2.79 2.00 0.00 0.10 0.00 0.00 34.13 33.34 1c82 s GLU 702 CO 0.39 -0.12 2.20 0.66 0.02 0.00 0.00 175.26 178.42 1c82 h SER 703 N 7.78 0.00 0.08 -0.19 4.64 -1.98 -2.61 113.55 121.26 1c82 h SER 703 Ca -0.39 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.75 1c82 h SER 703 Cb 1.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1c82 h SER 703 CO 0.60 0.00 -0.73 0.77 -0.87 0.00 0.00 176.83 176.61 1c82 h SER 704 N 0.00 0.50 -3.00 4.97 4.64 -2.06 -3.38 113.55 115.22 1c82 h SER 704 Ca 0.00 -0.87 -0.74 0.00 -0.47 0.00 0.00 61.79 59.71 1c82 h SER 704 Cb 0.18 -0.16 -0.33 0.00 -0.31 0.00 0.00 62.40 61.79 1c82 h SER 704 CO 0.00 1.32 0.23 0.59 -0.87 0.00 0.00 176.83 178.10 1c82 n ASN 705 N -4.16 5.17 -4.72 4.97 5.03 -0.99 -5.07 115.26 115.50 1c82 n ASN 705 Ca -0.12 -3.28 -0.33 0.00 0.87 0.00 0.00 54.58 51.72 1c82 n ASN 705 Cb 0.76 -1.12 0.11 0.00 -1.02 0.00 0.00 39.78 38.51 1c82 n ASN 705 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1c82 s PRO 706 N -2.10 1.87 -0.06 3.52 0.04 -1.23 -4.50 135.00 132.55 1c82 s PRO 706 Ca 0.32 1.58 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 1c82 s PRO 706 Cb 0.01 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1c82 s PRO 706 CO -0.01 -2.00 0.13 0.71 0.04 0.00 0.00 177.00 175.86 1c82 s TYR 707 N -2.35 3.48 -0.24 0.56 2.02 -1.26 -4.60 117.35 114.95 1c82 s TYR 707 Ca 0.69 0.37 -0.07 0.00 -0.37 0.00 0.00 57.07 57.70 1c82 s TYR 707 Cb -0.25 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1c82 s TYR 707 CO 0.50 0.64 0.05 0.21 -1.57 0.00 0.00 175.55 175.39 1c82 s LYS 708 N -1.47 3.62 -0.11 -0.62 2.20 0.05 -4.92 119.74 118.49 1c82 s LYS 708 Ca 0.21 -0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 55.21 1c82 s LYS 708 Cb -0.12 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 1c82 s LYS 708 CO 0.11 -0.18 0.24 0.08 -0.36 0.00 0.00 175.35 175.24 1c82 s VAL 709 N 1.56 5.33 -0.00 4.02 1.01 -1.26 -1.43 120.40 129.63 1c82 s VAL 709 Ca 0.06 0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.55 1c82 s VAL 709 Cb -0.15 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1c82 s VAL 709 CO 0.03 0.53 -0.19 -0.31 0.00 0.00 0.00 175.10 175.15 1c82 s TYR 710 N -0.48 1.72 -0.12 5.22 1.51 -0.66 0.60 117.35 125.13 1c82 s TYR 710 Ca 0.17 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1c82 s TYR 710 Cb -0.13 -1.09 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1c82 s TYR 710 CO 0.05 -0.00 -0.12 0.08 -1.11 0.00 0.00 175.55 174.45 1c82 s VAL 711 N -0.54 1.35 -1.50 0.71 1.01 0.05 -1.27 120.40 120.21 1c82 s VAL 711 Ca 0.07 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1c82 s VAL 711 Cb -0.08 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1c82 s VAL 711 CO -0.00 0.42 0.67 0.59 0.00 0.00 0.00 175.10 176.78 1c82 n ASN 712 N 4.66 -5.79 0.00 3.32 3.02 0.09 -1.70 115.26 118.87 1c82 n ASN 712 Ca -0.16 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1c82 n ASN 712 Cb 0.50 -4.67 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 1c82 n ASN 712 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1c82 n ASP 713 N -2.56 -2.31 -4.54 6.41 2.03 -1.26 -5.00 116.55 109.32 1c82 n ASP 713 Ca -0.08 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.89 1c82 n ASP 713 Cb 0.60 -1.46 -0.12 0.00 -0.72 0.00 0.00 41.12 39.43 1c82 n ASP 713 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1c82 s LYS 714 N -0.66 3.25 0.30 -0.67 -0.14 -0.69 -5.02 119.74 116.11 1c82 s LYS 714 Ca 0.00 -0.53 -0.30 0.00 -1.36 0.00 0.00 55.97 53.78 1c82 s LYS 714 Cb 0.00 -2.76 -0.12 0.00 -1.68 0.00 0.00 37.83 33.26 1c82 s LYS 714 CO 0.00 0.44 1.46 -1.91 -0.76 0.00 0.00 175.35 174.58 1c82 n GLU 715 N 2.91 2.38 -4.82 1.68 2.13 -1.26 -0.77 120.64 122.88 1c82 n GLU 715 Ca -0.18 0.84 -0.26 0.00 0.66 0.00 0.00 57.16 58.22 1c82 n GLU 715 Cb 0.53 -2.54 -0.15 0.00 0.27 0.00 0.00 31.44 29.55 1c82 n GLU 715 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1c82 s ALA 716 N -0.41 1.75 -0.40 4.31 0.00 0.20 -4.83 121.76 122.38 1c82 s ALA 716 Ca 0.62 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 1c82 s ALA 716 Cb -0.55 -0.39 0.07 0.00 0.00 0.00 0.00 23.12 22.25 1c82 s ALA 716 CO 0.54 0.41 0.22 -1.12 0.00 0.00 0.00 175.76 175.81 1c82 s SER 717 N -0.86 5.57 0.23 0.00 0.01 -1.26 -4.22 113.70 113.16 1c82 s SER 717 Ca 0.08 -1.42 -0.30 0.00 1.31 0.00 0.00 55.95 55.62 1c82 s SER 717 Cb -0.08 -1.96 -0.09 0.00 0.21 0.00 0.00 66.02 64.10 1c82 s SER 717 CO 0.01 -0.48 0.93 -0.76 0.41 0.00 0.00 173.24 173.34 1c82 s LEU 718 N 1.42 4.64 0.48 2.44 1.43 -1.26 -5.07 118.68 122.76 1c82 s LEU 718 Ca 0.02 1.92 0.03 0.00 -1.03 0.00 0.00 54.13 55.07 1c82 s LEU 718 Cb -0.22 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 1c82 s LEU 718 CO 0.02 0.15 0.06 0.42 0.23 0.00 0.00 176.35 177.23 1c82 s THR 719 N -1.09 1.48 0.31 5.49 -4.23 -1.26 -4.73 115.64 111.60 1c82 s THR 719 Ca 0.41 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1c82 s THR 719 Cb -0.26 -2.40 0.09 0.00 1.34 0.00 0.00 72.50 71.27 1c82 s THR 719 CO 0.31 0.00 1.77 -0.33 -0.54 0.00 0.00 174.62 175.84 1c82 h GLU 720 N 1.39 0.43 -6.65 3.99 4.39 -1.92 -0.39 114.58 115.82 1c82 h GLU 720 Ca -0.43 -0.14 -0.51 0.00 0.34 0.00 0.00 59.36 58.62 1c82 h GLU 720 Cb 1.29 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 1c82 h GLU 720 CO 0.74 0.62 0.24 -1.14 -1.16 0.00 0.00 179.01 178.30 1c82 s GLN 721 N -4.57 4.60 0.17 2.33 0.74 -1.26 -4.59 119.66 117.07 1c82 s GLN 721 Ca -0.06 1.22 -0.31 0.00 0.05 0.00 0.00 55.36 56.26 1c82 s GLN 721 Cb 0.14 -3.13 -0.09 0.00 1.10 0.00 0.00 33.01 31.03 1c82 s GLN 721 CO 0.78 0.48 1.48 -2.00 -0.55 0.00 0.00 175.29 175.48 1c82 s GLU 722 N -1.43 4.26 -0.05 1.67 2.12 -1.26 -4.76 118.70 119.25 1c82 s GLU 722 Ca 0.40 2.26 0.04 0.00 0.36 0.00 0.00 54.97 58.03 1c82 s GLU 722 Cb -0.22 -3.17 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 1c82 s GLU 722 CO 0.26 -0.50 -0.14 0.15 -0.54 0.00 0.00 175.26 174.48 1c82 s LYS 723 N 0.74 2.49 -0.06 4.30 1.02 -0.59 -4.94 119.74 122.70 1c82 s LYS 723 Ca 0.66 -0.70 -0.14 0.00 0.02 0.00 0.00 55.97 55.80 1c82 s LYS 723 Cb -0.41 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 1c82 s LYS 723 CO 0.34 0.62 0.37 -0.51 -0.92 0.00 0.00 175.35 175.26 1c82 s ASP 724 N -0.74 6.68 -0.54 2.83 1.01 -1.26 -1.13 116.67 123.52 1c82 s ASP 724 Ca 0.11 0.81 0.04 0.00 0.71 0.00 0.00 52.55 54.22 1c82 s ASP 724 Cb -0.11 -2.23 0.15 0.00 1.01 0.00 0.00 42.92 41.74 1c82 s ASP 724 CO 0.00 0.23 0.33 -0.31 0.21 0.00 0.00 175.17 175.63 1c82 s TYR 725 N -0.48 2.79 0.58 4.23 1.51 0.19 -4.98 117.35 121.20 1c82 s TYR 725 Ca 0.22 -2.94 -0.13 0.00 -1.01 0.00 0.00 57.07 53.20 1c82 s TYR 725 Cb -0.15 -2.37 -0.05 0.00 -0.11 0.00 0.00 41.96 39.27 1c82 s TYR 725 CO 0.10 -0.70 1.02 -1.25 -1.11 0.00 0.00 175.55 173.60 1c82 s PRO 726 N -0.42 3.69 -1.49 -1.71 0.04 -1.26 -2.31 135.00 131.54 1c82 s PRO 726 Ca 0.21 0.84 -0.07 0.00 0.04 0.00 0.00 61.00 62.02 1c82 s PRO 726 Cb -0.17 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1c82 s PRO 726 CO -0.06 -0.49 0.81 0.39 0.04 0.00 0.00 177.00 177.68 1c82 n GLU 727 N -2.33 -5.88 -2.78 4.56 -0.58 -1.19 -4.94 120.64 107.50 1c82 n GLU 727 Ca 0.06 0.86 -0.42 0.00 -0.42 0.00 0.00 57.16 57.24 1c82 n GLU 727 Cb 0.54 -5.78 -0.03 0.00 -0.57 0.00 0.00 31.44 25.59 1c82 n GLU 727 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1c82 s THR 728 N -3.22 4.88 -0.10 2.62 2.01 -0.18 -4.72 115.64 116.92 1c82 s THR 728 Ca 0.41 1.91 0.15 0.00 0.31 0.00 0.00 61.69 64.48 1c82 s THR 728 Cb -0.19 -4.25 -0.22 0.00 0.01 0.00 0.00 72.50 67.85 1c82 s THR 728 CO 0.51 0.13 0.18 1.67 -0.69 0.00 0.00 174.62 176.41 1c82 n GLN 729 N 4.27 1.09 -3.49 4.92 -0.06 -1.26 -0.81 117.38 122.04 1c82 n GLN 729 Ca 0.05 -0.06 -0.16 0.00 -2.00 0.00 0.00 57.00 54.83 1c82 n GLN 729 Cb 0.50 -1.40 -0.04 0.00 -4.06 0.00 0.00 30.24 25.24 1c82 n GLN 729 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1c82 s SER 730 N -4.54 -0.61 -0.02 1.69 1.04 -1.26 -0.78 113.70 109.22 1c82 s SER 730 Ca -0.07 0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.79 1c82 s SER 730 Cb 0.07 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1c82 s SER 730 CO 0.66 -0.75 -0.02 -0.69 0.98 0.00 0.00 173.24 173.42 1c82 s VAL 731 N -2.21 0.27 -0.05 5.02 1.01 -0.58 -0.73 120.40 123.12 1c82 s VAL 731 Ca -0.06 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1c82 s VAL 731 Cb -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1c82 s VAL 731 CO 0.01 0.11 -0.05 0.12 0.00 0.00 0.00 175.10 175.29 1c82 s PHE 732 N 0.37 0.83 -0.43 5.22 5.36 -0.39 -0.57 117.98 128.37 1c82 s PHE 732 Ca -0.04 -0.25 -0.13 0.00 -0.96 0.00 0.00 56.93 55.55 1c82 s PHE 732 Cb -0.07 -0.74 0.06 0.00 -0.34 0.00 0.00 43.02 41.93 1c82 s PHE 732 CO -0.01 -0.23 0.31 -0.51 -1.46 0.00 0.00 175.22 173.32 1c82 s LEU 733 N 1.04 5.24 -0.26 6.12 1.43 0.76 -1.66 118.68 131.36 1c82 s LEU 733 Ca -0.09 -1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 51.65 1c82 s LEU 733 Cb -0.14 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 1c82 s LEU 733 CO -0.00 -0.54 0.20 -0.70 0.23 0.00 0.00 176.35 175.54 1c82 s GLU 734 N 1.57 4.03 0.39 1.70 2.12 -0.51 -2.26 118.70 125.73 1c82 s GLU 734 Ca 0.03 -0.24 0.08 0.00 0.36 0.00 0.00 54.97 55.20 1c82 s GLU 734 Cb -0.22 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.52 1c82 s GLU 734 CO 0.06 -0.06 0.12 0.45 -0.54 0.00 0.00 175.26 175.28 1c82 s SER 735 N 1.37 4.33 0.43 -1.70 0.15 -1.26 -0.77 113.70 116.25 1c82 s SER 735 Ca 0.08 -1.05 0.24 0.00 0.70 0.00 0.00 55.95 55.92 1c82 s SER 735 Cb -0.15 -0.51 0.76 0.00 -1.71 0.00 0.00 66.02 64.41 1c82 s SER 735 CO 0.08 -0.43 1.76 0.77 1.20 0.00 0.00 173.24 176.61 1c82 h SER 736 N 1.57 0.00 -3.54 5.45 4.64 -1.92 -3.39 113.55 116.37 1c82 h SER 736 Ca -0.43 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.18 1c82 h SER 736 Cb 1.25 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.11 1c82 h SER 736 CO 0.70 0.21 -0.47 -0.62 -0.87 0.00 0.00 176.83 175.78 1c82 s ASP 737 N -6.17 5.90 0.60 4.97 -1.08 -1.26 -4.96 116.67 114.67 1c82 s ASP 737 Ca 0.02 -0.98 0.31 0.00 -0.52 0.00 0.00 52.55 51.37 1c82 s ASP 737 Cb 0.09 -2.08 1.74 0.00 -1.46 0.00 0.00 42.92 41.21 1c82 s ASP 737 CO 0.65 -0.42 2.12 0.77 0.52 0.00 0.00 175.17 178.80 1c82 h SER 738 N 8.52 0.00 0.00 -0.34 4.64 -1.94 -0.26 113.55 124.17 1c82 h SER 738 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1c82 h SER 738 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1c82 h SER 738 CO 0.70 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.95 1c82 n LYS 739 N -3.65 0.75 0.00 4.77 4.76 -1.26 -2.04 118.16 121.48 1c82 n LYS 739 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1c82 n LYS 739 Cb 0.29 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 1c82 n LYS 739 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1c82 n LYS 740 N -0.58 1.28 -2.13 1.97 5.02 -0.11 -0.02 118.16 123.59 1c82 n LYS 740 Ca 0.03 -0.30 -0.39 0.00 -2.02 0.00 0.00 58.31 55.63 1c82 n LYS 740 Cb 0.01 -0.78 -0.01 0.00 -0.02 0.00 0.00 35.03 34.23 1c82 n LYS 740 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1c82 s ASN 741 N -0.27 6.28 -0.04 4.39 0.01 -0.86 -4.81 114.94 119.63 1c82 s ASN 741 Ca 0.00 2.53 -0.01 0.00 -0.71 0.00 0.00 52.86 54.67 1c82 s ASN 741 Cb 0.00 -2.63 0.03 0.00 0.41 0.00 0.00 41.25 39.06 1c82 s ASN 741 CO 0.00 -0.86 0.03 -0.63 -1.51 0.00 0.00 177.10 174.13 1c82 s ILE 742 N -1.34 0.08 0.12 0.60 1.01 -0.96 -1.35 121.20 119.36 1c82 s ILE 742 Ca 0.59 0.25 0.10 0.00 0.00 0.00 0.00 60.65 61.59 1c82 s ILE 742 Cb -0.35 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1c82 s ILE 742 CO 0.44 0.18 -0.26 -0.83 0.00 0.00 0.00 174.94 174.47 1c82 s GLY 743 N 1.73 1.51 -0.10 6.18 0.00 -0.43 -0.17 107.32 116.05 1c82 s GLY 743 Ca -0.00 -1.42 -0.00 0.00 0.00 0.00 0.00 44.72 43.30 1c82 s GLY 743 CO -0.03 -1.39 -0.06 -0.19 0.00 0.00 0.00 173.10 171.42 1c82 s TYR 744 N -1.05 1.34 -0.24 1.90 1.51 0.27 -1.08 117.35 120.00 1c82 s TYR 744 Ca 0.13 -0.64 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 1c82 s TYR 744 Cb -0.10 -1.15 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 1c82 s TYR 744 CO 0.05 -0.47 0.03 0.12 -1.11 0.00 0.00 175.55 174.17 1c82 s PHE 745 N 1.72 3.05 -0.36 2.71 5.36 -0.13 -1.53 117.98 128.80 1c82 s PHE 745 Ca 0.04 -0.63 -0.20 0.00 -0.96 0.00 0.00 56.93 55.18 1c82 s PHE 745 Cb -0.13 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 1c82 s PHE 745 CO -0.07 -0.44 0.62 -0.06 -1.46 0.00 0.00 175.22 173.81 1c82 s PHE 746 N 1.56 3.15 0.36 10.12 0.40 0.04 0.36 117.98 133.97 1c82 s PHE 746 Ca 0.06 0.32 0.12 0.00 -0.60 0.00 0.00 56.93 56.83 1c82 s PHE 746 Cb -0.15 -3.11 0.91 0.00 0.51 0.00 0.00 43.02 41.18 1c82 s PHE 746 CO 0.01 -0.62 1.80 0.74 0.70 0.00 0.00 175.22 177.86 1c82 h PHE 747 N 8.47 0.83 -4.12 0.36 0.04 -1.78 -3.38 116.94 117.36 1c82 h PHE 747 Ca -0.27 0.03 -0.55 0.00 2.80 0.00 0.00 57.97 59.98 1c82 h PHE 747 Cb 1.11 -0.25 -0.30 0.00 2.20 0.00 0.00 35.95 38.71 1c82 h PHE 747 CO 0.75 0.18 -0.83 0.15 -0.60 0.00 0.00 178.31 177.95 1c82 s LYS 748 N -5.66 1.57 0.08 1.51 3.01 -1.26 -5.04 119.74 113.95 1c82 s LYS 748 Ca -0.10 -0.61 -0.37 0.00 -1.01 0.00 0.00 55.97 53.89 1c82 s LYS 748 Cb 0.24 -1.44 -0.17 0.00 -1.01 0.00 0.00 37.83 35.45 1c82 s LYS 748 CO 0.80 0.31 1.27 1.63 0.51 0.00 0.00 175.35 179.86 1c82 n LYS 749 N 2.89 0.95 -4.28 1.68 5.02 -1.26 -4.90 118.16 118.26 1c82 n LYS 749 Ca -0.16 0.34 -0.18 0.00 -2.02 0.00 0.00 58.31 56.28 1c82 n LYS 749 Cb 0.53 -1.94 -0.11 0.00 -0.02 0.00 0.00 35.03 33.50 1c82 n LYS 749 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1c82 s SER 750 N 0.34 2.22 -0.48 4.39 0.01 0.01 -4.80 113.70 115.39 1c82 s SER 750 Ca 0.84 -0.88 -0.18 0.00 1.31 0.00 0.00 55.95 57.05 1c82 s SER 750 Cb -1.00 -0.09 0.06 0.00 0.21 0.00 0.00 66.02 65.20 1c82 s SER 750 CO 0.49 -0.14 0.53 -0.55 0.41 0.00 0.00 173.24 173.98 1c82 s SER 751 N -2.72 6.20 0.39 2.44 0.15 -1.26 -1.01 113.70 117.89 1c82 s SER 751 Ca 0.13 -1.00 0.08 0.00 0.70 0.00 0.00 55.95 55.86 1c82 s SER 751 Cb -0.04 -2.25 -0.08 0.00 -1.71 0.00 0.00 66.02 61.95 1c82 s SER 751 CO 0.04 -0.78 -0.02 0.27 1.20 0.00 0.00 173.24 173.95 1c82 s ILE 752 N 2.27 2.05 0.03 6.45 -4.36 -0.98 -4.30 121.20 122.36 1c82 s ILE 752 Ca 0.11 -2.06 0.02 0.00 -0.26 0.00 0.00 60.65 58.47 1c82 s ILE 752 Cb -0.20 -2.89 -0.02 0.00 1.25 0.00 0.00 42.46 40.60 1c82 s ILE 752 CO 0.11 -0.06 -0.08 -0.94 0.24 0.00 0.00 174.94 174.21 1c82 s SER 753 N -3.68 0.86 0.06 4.36 1.04 -0.46 0.57 113.70 116.47 1c82 s SER 753 Ca 0.34 -0.41 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 1c82 s SER 753 Cb 0.08 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1c82 s SER 753 CO 0.17 -0.10 -0.04 -0.04 0.98 0.00 0.00 173.24 174.21 1c82 s MET 754 N -1.11 0.66 0.02 4.02 -1.94 -0.29 -1.76 119.30 118.89 1c82 s MET 754 Ca -0.05 -1.20 -0.28 0.00 -1.71 0.00 0.00 55.69 52.45 1c82 s MET 754 Cb -0.07 0.06 0.08 0.00 2.01 0.00 0.00 34.83 36.91 1c82 s MET 754 CO 0.00 -0.07 0.72 -1.54 -0.01 0.00 0.00 175.02 174.12 1c82 s SER 755 N -2.82 -0.55 -0.19 3.03 1.04 -0.62 -1.53 113.70 112.05 1c82 s SER 755 Ca 0.06 0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 1c82 s SER 755 Cb 0.05 0.51 0.05 0.00 0.10 0.00 0.00 66.02 66.74 1c82 s SER 755 CO -0.08 -0.71 -0.01 -0.75 0.98 0.00 0.00 173.24 172.68 1c82 s LYS 756 N -2.35 1.10 0.01 4.02 2.20 -0.16 -0.47 119.74 124.09 1c82 s LYS 756 Ca -0.03 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 54.98 1c82 s LYS 756 Cb -0.01 -2.17 -0.01 0.00 -1.51 0.00 0.00 37.83 34.13 1c82 s LYS 756 CO -0.02 -0.56 0.01 0.00 -0.36 0.00 0.00 175.35 174.41 1c82 s ALA 757 N 1.68 0.02 -0.09 3.13 0.00 -0.64 -2.84 121.76 123.03 1c82 s ALA 757 Ca -0.02 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1c82 s ALA 757 Cb -0.17 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1c82 s ALA 757 CO -0.07 -0.15 1.13 -1.17 0.00 0.00 0.00 175.76 175.51 1c82 s LEU 758 N -1.23 4.25 -0.15 0.00 2.96 -1.26 -1.66 118.68 121.59 1c82 s LEU 758 Ca -0.13 1.69 -0.01 0.00 -0.22 0.00 0.00 54.13 55.46 1c82 s LEU 758 Cb -0.08 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1c82 s LEU 758 CO -0.00 -0.56 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.25 1c82 s GLN 759 N 2.29 3.35 0.23 1.98 -0.21 0.44 -4.97 119.66 122.77 1c82 s GLN 759 Ca 0.53 -0.68 0.08 0.00 0.02 0.00 0.00 55.36 55.31 1c82 s GLN 759 Cb -0.22 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.04 1c82 s GLN 759 CO 0.19 0.09 0.02 0.15 -2.12 0.00 0.00 175.29 173.63 1c82 s LYS 760 N 0.67 2.42 0.00 2.91 1.02 -1.26 -1.86 119.74 123.64 1c82 s LYS 760 Ca -0.06 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.69 1c82 s LYS 760 Cb -0.15 -2.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1c82 s LYS 760 CO 0.02 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1c82 n GLY 761 N -0.62 -0.92 3.09 -3.33 0.00 -0.43 -4.86 105.19 98.12 1c82 n GLY 761 Ca -0.08 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 1c82 n GLY 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c82 s ALA 762 N -2.00 0.64 0.47 4.61 0.00 -1.25 -0.06 121.76 124.17 1c82 s ALA 762 Ca 0.00 -0.93 0.15 0.00 0.00 0.00 0.00 51.96 51.19 1c82 s ALA 762 Cb 0.00 0.09 1.13 0.00 0.00 0.00 0.00 23.12 24.34 1c82 s ALA 762 CO 0.00 -0.10 2.03 -1.49 0.00 0.00 0.00 175.76 176.20 1c82 h TRP 763 N 4.04 0.27 0.00 0.00 4.06 -1.76 -0.10 115.95 122.46 1c82 h TRP 763 Ca -0.35 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.58 1c82 h TRP 763 Cb 1.19 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 29.26 1c82 h TRP 763 CO 0.63 0.14 -0.11 -0.22 -3.56 0.00 0.00 178.44 175.31 1c82 h LYS 764 N 0.26 0.00 -0.52 0.49 3.64 -1.34 -0.09 116.57 119.02 1c82 h LYS 764 Ca 0.19 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1c82 h LYS 764 Cb 0.42 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1c82 h LYS 764 CO -0.04 0.11 0.23 -0.44 -2.27 0.00 0.00 179.45 177.04 1c82 h ASP 765 N 0.00 0.67 -0.00 4.20 3.32 -1.29 -3.06 116.42 120.25 1c82 h ASP 765 Ca -0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1c82 h ASP 765 Cb 0.43 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1c82 h ASP 765 CO 0.01 0.59 -0.58 2.30 -1.72 0.00 0.00 179.24 179.84 1c82 n ILE 766 N -4.36 0.00 -3.28 0.35 -5.35 -0.84 -4.78 119.36 101.10 1c82 n ILE 766 Ca 0.04 -0.21 -0.05 0.00 -0.27 0.00 0.00 62.75 62.26 1c82 n ILE 766 Cb 0.14 1.08 -0.05 0.00 -1.74 0.00 0.00 39.64 39.07 1c82 n ILE 766 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1c82 s ASN 767 N -2.27 -0.24 0.38 7.28 3.84 -0.10 -0.62 114.94 123.21 1c82 s ASN 767 Ca 0.09 0.22 0.16 0.00 0.21 0.00 0.00 52.86 53.54 1c82 s ASN 767 Cb 0.13 1.42 1.03 0.00 -0.55 0.00 0.00 41.25 43.27 1c82 s ASN 767 CO 0.55 -0.30 1.78 -0.33 -2.79 0.00 0.00 177.10 176.01 1c82 h GLU 768 N 8.12 0.46 0.00 0.43 4.39 -1.45 -0.51 114.58 126.02 1c82 h GLU 768 Ca -0.16 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1c82 h GLU 768 Cb 1.15 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1c82 h GLU 768 CO 0.26 0.30 0.00 0.41 -1.16 0.00 0.00 179.01 178.82 1c82 n GLY 769 N -1.44 -0.94 3.98 -3.84 0.00 -1.26 -4.86 105.19 96.83 1c82 n GLY 769 Ca 0.24 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 1c82 n GLY 769 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c82 s GLN 770 N -2.00 2.84 0.44 1.61 -1.52 -0.20 -5.05 119.66 115.78 1c82 s GLN 770 Ca 0.25 -1.24 -0.25 0.00 -1.95 0.00 0.00 55.36 52.17 1c82 s GLN 770 Cb 0.12 -2.71 -0.08 0.00 -0.22 0.00 0.00 33.01 30.12 1c82 s GLN 770 CO 0.20 -0.19 1.36 0.45 -0.25 0.00 0.00 175.29 176.86 1c82 s SER 771 N -4.27 5.99 -0.15 5.90 0.15 -1.26 -3.99 113.70 116.06 1c82 s SER 771 Ca 0.52 2.77 0.14 0.00 0.70 0.00 0.00 55.95 60.08 1c82 s SER 771 Cb -0.09 -2.64 0.66 0.00 -1.71 0.00 0.00 66.02 62.24 1c82 s SER 771 CO 0.32 -1.08 1.54 -0.90 1.20 0.00 0.00 173.24 174.31 1c82 n ASP 772 N -0.17 4.60 -4.74 5.45 5.75 -1.26 -1.50 116.55 124.68 1c82 n ASP 772 Ca 0.05 -2.58 -0.41 0.00 -0.01 0.00 0.00 54.79 51.84 1c82 n ASP 772 Cb 0.43 -0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 1c82 n ASP 772 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1c82 s LYS 773 N -2.14 4.34 0.26 0.11 2.36 -1.26 -4.88 119.74 118.53 1c82 s LYS 773 Ca 0.45 2.15 -0.30 0.00 -2.55 0.00 0.00 55.97 55.72 1c82 s LYS 773 Cb 0.32 -3.17 -0.10 0.00 -1.05 0.00 0.00 37.83 33.83 1c82 s LYS 773 CO 0.18 -0.34 1.44 -2.00 1.55 0.00 0.00 175.35 176.17 1c82 s GLU 774 N -0.03 4.26 0.11 4.03 2.12 -1.26 -4.47 118.70 123.46 1c82 s GLU 774 Ca 0.59 2.32 0.08 0.00 0.36 0.00 0.00 54.97 58.31 1c82 s GLU 774 Cb -0.39 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1c82 s GLU 774 CO 0.39 -0.41 -0.19 0.08 -0.54 0.00 0.00 175.26 174.58 1c82 s VAL 775 N -0.15 1.60 -0.07 3.70 1.01 0.91 -4.99 120.40 122.41 1c82 s VAL 775 Ca 0.58 -1.56 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 1c82 s VAL 775 Cb -0.42 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.49 1c82 s VAL 775 CO 0.45 -0.14 0.42 -1.83 0.00 0.00 0.00 175.10 174.00 1c82 s GLU 776 N -2.02 0.69 0.02 2.72 -1.05 -1.26 -1.31 118.70 116.49 1c82 s GLU 776 Ca 0.06 0.15 -0.16 0.00 -0.15 0.00 0.00 54.97 54.87 1c82 s GLU 776 Cb -0.09 0.32 0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1c82 s GLU 776 CO 0.04 -0.17 0.35 -0.80 0.95 0.00 0.00 175.26 175.63 1c82 s ASN 777 N -0.80 -0.21 -0.06 0.83 0.01 -0.78 -4.99 114.94 108.95 1c82 s ASN 777 Ca -0.09 -0.02 -0.20 0.00 -0.71 0.00 0.00 52.86 51.84 1c82 s ASN 777 Cb -0.04 0.37 -0.05 0.00 0.41 0.00 0.00 41.25 41.95 1c82 s ASN 777 CO 0.04 -0.58 0.58 -0.70 -1.51 0.00 0.00 177.10 174.92 1c82 s GLU 778 N -2.15 4.34 -0.00 -0.60 2.56 -1.26 -0.42 118.70 121.17 1c82 s GLU 778 Ca -0.08 0.66 0.05 0.00 0.00 0.00 0.00 54.97 55.61 1c82 s GLU 778 Cb -0.02 -3.40 -0.01 0.00 2.00 0.00 0.00 34.13 32.70 1c82 s GLU 778 CO -0.00 0.23 -0.16 -0.06 -0.56 0.00 0.00 175.26 174.70 1c82 s PHE 779 N 0.30 1.45 -0.24 5.30 0.40 -0.66 -0.50 117.98 124.03 1c82 s PHE 779 Ca 0.31 -0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 56.28 1c82 s PHE 779 Cb -0.17 -0.92 -0.03 0.00 0.51 0.00 0.00 43.02 42.41 1c82 s PHE 779 CO 0.15 -0.01 0.06 -1.17 0.70 0.00 0.00 175.22 174.95 1c82 s LEU 780 N -0.52 3.39 -0.11 -0.37 0.20 -0.14 -1.61 118.68 119.52 1c82 s LEU 780 Ca 0.06 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.68 1c82 s LEU 780 Cb -0.07 -1.90 -0.01 0.00 -0.43 0.00 0.00 46.19 43.78 1c82 s LEU 780 CO -0.00 -0.02 -0.16 -0.89 -0.29 0.00 0.00 176.35 174.98 1c82 s THR 781 N 1.55 2.77 -0.10 3.68 2.01 0.37 -0.68 115.64 125.24 1c82 s THR 781 Ca 0.06 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1c82 s THR 781 Cb -0.15 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.25 1c82 s THR 781 CO 0.03 0.55 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.67 1c82 s ILE 782 N 0.14 1.80 0.06 1.82 1.01 0.00 -1.58 121.20 124.45 1c82 s ILE 782 Ca -0.08 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 1c82 s ILE 782 Cb -0.15 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 1c82 s ILE 782 CO 0.05 0.50 0.15 -0.94 0.00 0.00 0.00 174.94 174.71 1c82 s SER 783 N 0.51 0.15 -0.14 3.58 1.04 -0.72 -0.04 113.70 118.08 1c82 s SER 783 Ca -0.16 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 55.68 1c82 s SER 783 Cb -0.17 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.27 1c82 s SER 783 CO 0.06 -0.63 -0.08 -1.58 0.98 0.00 0.00 173.24 171.99 1c82 s GLN 784 N -3.28 1.68 0.53 4.02 0.74 -0.40 -1.35 119.66 121.61 1c82 s GLN 784 Ca 0.01 -0.41 -0.18 0.00 0.05 0.00 0.00 55.36 54.83 1c82 s GLN 784 Cb 0.02 -1.83 -0.06 0.00 1.10 0.00 0.00 33.01 32.24 1c82 s GLN 784 CO -0.08 -0.31 1.03 0.00 -0.55 0.00 0.00 175.29 175.39 1c82 s ALA 785 N 1.63 2.85 -0.41 1.58 0.00 -1.26 -0.80 121.76 125.35 1c82 s ALA 785 Ca 0.04 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1c82 s ALA 785 Cb -0.13 -3.22 0.12 0.00 0.00 0.00 0.00 23.12 19.89 1c82 s ALA 785 CO -0.09 -0.50 0.18 -1.01 0.00 0.00 0.00 175.76 174.35 1c82 s HIS 786 N -2.29 2.42 -0.72 0.00 0.09 -0.14 -4.91 115.29 109.73 1c82 s HIS 786 Ca 0.64 -2.49 0.24 0.00 -0.00 0.00 0.00 55.06 53.45 1c82 s HIS 786 Cb -0.15 -2.18 0.29 0.00 -0.00 0.00 0.00 32.58 30.54 1c82 s HIS 786 CO 0.29 -0.82 1.25 1.63 -0.00 0.00 0.00 174.74 177.09 1c82 n LYS 787 N 3.88 0.22 -4.39 1.40 5.02 -1.26 -4.25 118.16 118.78 1c82 n LYS 787 Ca 0.05 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.15 1c82 n LYS 787 Cb 0.37 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 1c82 n LYS 787 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1c82 s GLN 788 N -3.13 1.43 0.24 1.97 -1.52 -1.26 -5.10 119.66 112.29 1c82 s GLN 788 Ca 0.07 -1.57 -0.30 0.00 -1.95 0.00 0.00 55.36 51.61 1c82 s GLN 788 Cb 0.15 -1.47 -0.09 0.00 -0.22 0.00 0.00 33.01 31.38 1c82 s GLN 788 CO 0.74 0.28 1.05 -0.80 -0.25 0.00 0.00 175.29 176.31 1c82 s ASN 789 N -3.06 7.39 0.00 5.90 0.01 -1.26 -3.01 114.94 120.90 1c82 s ASN 789 Ca 0.22 2.12 0.00 0.00 -0.71 0.00 0.00 52.86 54.49 1c82 s ASN 789 Cb -0.05 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.00 1c82 s ASN 789 CO 0.09 -0.07 0.00 0.61 -1.51 0.00 0.00 177.10 176.22 1c82 n GLY 790 N 1.52 0.64 3.71 0.66 0.00 0.73 -4.97 105.19 107.48 1c82 n GLY 790 Ca -0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1c82 n GLY 790 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c82 s ASP 791 N -2.36 2.87 0.26 1.61 1.01 -1.04 -4.55 116.67 114.47 1c82 s ASP 791 Ca 0.00 1.09 -0.18 0.00 0.71 0.00 0.00 52.55 54.17 1c82 s ASP 791 Cb 0.00 -1.73 0.02 0.00 1.01 0.00 0.00 42.92 42.22 1c82 s ASP 791 CO 0.00 -2.97 0.63 -0.94 0.21 0.00 0.00 175.17 172.10 1c82 s SER 792 N -3.65 -0.22 0.03 0.27 1.04 -1.26 -1.72 113.70 108.19 1c82 s SER 792 Ca 0.65 -0.67 -0.06 0.00 0.48 0.00 0.00 55.95 56.35 1c82 s SER 792 Cb -0.17 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 1c82 s SER 792 CO 0.56 -1.26 0.11 -0.72 0.98 0.00 0.00 173.24 172.92 1c82 s TYR 793 N -3.94 0.15 -0.30 5.02 -0.85 -0.19 -4.99 117.35 112.26 1c82 s TYR 793 Ca 0.14 -0.39 -0.10 0.00 -0.52 0.00 0.00 57.07 56.19 1c82 s TYR 793 Cb -0.04 -0.11 0.16 0.00 0.38 0.00 0.00 41.96 42.35 1c82 s TYR 793 CO 0.06 -0.35 0.83 0.20 -1.52 0.00 0.00 175.55 174.77 1c82 s GLY 794 N -1.92 -0.53 0.14 5.49 0.00 -1.26 -1.33 107.32 107.92 1c82 s GLY 794 Ca -0.08 2.57 -0.16 0.00 0.00 0.00 0.00 44.72 47.05 1c82 s GLY 794 CO -0.03 3.31 0.42 -2.52 0.00 0.00 0.00 173.10 174.28 1c82 s TYR 795 N 2.74 -0.17 -0.14 1.90 -0.85 -0.86 -2.52 117.35 117.45 1c82 s TYR 795 Ca 0.02 -0.15 -0.03 0.00 -0.52 0.00 0.00 57.07 56.39 1c82 s TYR 795 Cb -0.10 0.27 -0.03 0.00 0.38 0.00 0.00 41.96 42.48 1c82 s TYR 795 CO -0.18 -0.74 -0.06 1.41 -1.52 0.00 0.00 175.55 174.47 1c82 s MET 796 N -3.82 3.54 -0.31 -3.49 -2.45 0.16 -0.38 119.30 112.54 1c82 s MET 796 Ca 0.05 -0.55 -0.15 0.00 -1.25 0.00 0.00 55.69 53.79 1c82 s MET 796 Cb 0.01 -2.84 -0.02 0.00 1.25 0.00 0.00 34.83 33.23 1c82 s MET 796 CO -0.10 0.28 0.36 -1.17 1.05 0.00 0.00 175.02 175.44 1c82 s LEU 797 N 0.24 4.25 -0.36 4.11 2.96 0.16 -0.96 118.68 129.09 1c82 s LEU 797 Ca -0.04 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1c82 s LEU 797 Cb -0.14 -2.36 0.10 0.00 0.50 0.00 0.00 46.19 44.29 1c82 s LEU 797 CO 0.03 -0.26 0.08 -0.63 -1.32 0.00 0.00 176.35 174.25 1c82 s ILE 798 N 2.03 2.13 0.51 6.68 1.01 -0.24 -1.36 121.20 131.97 1c82 s ILE 798 Ca 0.13 -2.34 0.02 0.00 0.00 0.00 0.00 60.65 58.46 1c82 s ILE 798 Cb -0.16 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1c82 s ILE 798 CO 0.11 -0.64 0.72 -2.16 0.00 0.00 0.00 174.94 172.98 1c82 s PRO 799 N 0.85 2.68 -1.36 2.79 0.04 -1.26 -1.31 135.00 137.43 1c82 s PRO 799 Ca 0.12 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.35 1c82 s PRO 799 Cb -0.20 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1c82 s PRO 799 CO -0.09 -0.56 0.00 0.09 0.04 0.00 0.00 177.00 176.48 1c82 n ASN 800 N -2.21 -4.68 -4.32 6.66 4.13 -0.46 -4.97 115.26 109.41 1c82 n ASN 800 Ca 0.07 0.12 -0.22 0.00 1.68 0.00 0.00 54.58 56.23 1c82 n ASN 800 Cb 0.59 -3.95 -0.11 0.00 -1.54 0.00 0.00 39.78 34.77 1c82 n ASN 800 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1c82 s VAL 801 N -2.77 1.78 0.96 2.41 -7.23 -1.25 -4.72 120.40 109.59 1c82 s VAL 801 Ca 0.00 -1.84 -0.16 0.00 -1.81 0.00 0.00 61.98 58.17 1c82 s VAL 801 Cb 0.00 -1.78 0.19 0.00 0.56 0.00 0.00 36.38 35.35 1c82 s VAL 801 CO 0.00 -0.27 1.30 1.51 -0.31 0.00 0.00 175.10 177.34 1c82 s ASP 802 N -2.51 3.16 0.12 4.85 1.47 -1.26 -4.76 116.67 117.74 1c82 s ASP 802 Ca 0.14 0.32 -0.28 0.00 1.18 0.00 0.00 52.55 53.91 1c82 s ASP 802 Cb -0.07 -0.41 -0.07 0.00 -0.34 0.00 0.00 42.92 42.03 1c82 s ASP 802 CO 0.06 -2.71 1.62 -0.09 0.68 0.00 0.00 175.17 174.72 1c82 h ARG 803 N -1.63 -0.50 -0.98 2.11 2.43 -1.98 -0.29 114.38 113.53 1c82 h ARG 803 Ca -0.45 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.77 1c82 h ARG 803 Cb 1.24 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.86 1c82 h ARG 803 CO 0.40 -0.34 0.65 0.00 -1.51 0.00 0.00 179.97 179.18 1c82 h ALA 804 N 0.15 1.25 -0.47 2.80 0.00 -1.99 -0.69 119.26 120.31 1c82 h ALA 804 Ca 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1c82 h ALA 804 Cb 0.57 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1c82 h ALA 804 CO -0.22 0.62 0.08 1.15 0.00 0.00 0.00 179.25 180.89 1c82 h THR 805 N 1.32 1.24 -0.45 0.00 2.02 -1.86 -1.00 112.91 114.19 1c82 h THR 805 Ca 0.36 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1c82 h THR 805 Cb -0.13 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1c82 h THR 805 CO -0.08 0.31 0.27 0.15 0.37 0.00 0.00 175.52 176.55 1c82 h PHE 806 N 0.64 0.58 -0.60 3.16 3.57 -0.57 0.40 116.94 124.12 1c82 h PHE 806 Ca 0.14 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1c82 h PHE 806 Cb 0.37 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1c82 h PHE 806 CO 0.03 0.40 0.30 -0.91 -2.23 0.00 0.00 178.31 175.90 1c82 h ASN 807 N 0.59 0.75 -0.01 0.41 2.35 -0.92 -1.44 115.58 117.31 1c82 h ASN 807 Ca 0.16 -0.07 -0.19 0.00 -0.55 0.00 0.00 56.30 55.65 1c82 h ASN 807 Cb -0.02 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1c82 h ASN 807 CO -0.03 0.63 -0.68 -0.61 -1.65 0.00 0.00 177.43 175.09 1c82 h GLN 808 N 0.84 0.64 -0.57 0.81 4.15 -0.73 -3.25 115.11 116.99 1c82 h GLN 808 Ca 0.21 -0.47 -0.10 0.00 0.77 0.00 0.00 58.65 59.06 1c82 h GLN 808 Cb 0.07 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1c82 h GLN 808 CO -0.03 1.10 -0.04 0.52 -1.93 0.00 0.00 178.83 178.45 1c82 h MET 809 N 0.45 1.03 0.00 1.69 2.86 -0.36 -2.78 114.93 117.82 1c82 h MET 809 Ca -0.02 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1c82 h MET 809 Cb 1.27 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1c82 h MET 809 CO 0.13 1.03 0.00 -0.84 1.06 0.00 0.00 176.91 178.29 1c82 h ILE 810 N 0.93 0.00 0.11 -1.22 3.07 -1.32 -0.35 117.51 118.74 1c82 h ILE 810 Ca 0.16 -0.42 -0.29 0.00 1.55 0.00 0.00 64.86 65.86 1c82 h ILE 810 Cb 0.59 1.39 0.02 0.00 -0.27 0.00 0.00 36.82 38.55 1c82 h ILE 810 CO 0.04 0.00 -1.22 0.11 -1.05 0.00 0.00 178.15 176.02 1c82 h LYS 811 N 0.00 0.55 -0.66 0.16 1.79 -1.55 -2.63 116.57 114.23 1c82 h LYS 811 Ca 0.00 -0.74 -0.05 0.00 -2.18 0.00 0.00 60.65 57.67 1c82 h LYS 811 Cb 0.44 0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.31 1c82 h LYS 811 CO 0.00 1.33 0.20 0.93 -1.08 0.00 0.00 179.45 180.83 1c82 h GLU 812 N 0.24 1.02 -0.11 3.15 5.08 -1.03 -2.52 114.58 120.40 1c82 h GLU 812 Ca -0.17 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1c82 h GLU 812 Cb 1.90 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.99 1c82 h GLU 812 CO 0.23 0.87 0.00 1.28 -1.00 0.00 0.00 179.01 180.39 1c82 n LEU 813 N -4.26 1.01 -0.33 1.33 4.77 -0.24 -4.42 117.00 114.86 1c82 n LEU 813 Ca 0.05 -0.43 0.21 0.00 -0.03 0.00 0.00 56.01 55.81 1c82 n LEU 813 Cb 0.22 -0.07 0.41 0.00 -2.33 0.00 0.00 43.42 41.65 1c82 n LEU 813 CO 0.41 0.22 0.92 -0.08 -1.33 0.00 0.00 177.39 177.53 1c82 h GLU 814 N 1.31 0.04 -0.40 3.23 4.57 -1.06 0.11 114.58 122.38 1c82 h GLU 814 Ca 0.00 -0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.92 1c82 h GLU 814 Cb 0.29 -0.01 -0.17 0.00 -0.16 0.00 0.00 28.75 28.71 1c82 h GLU 814 CO 0.00 0.02 -0.27 0.43 -1.18 0.00 0.00 179.01 178.01 1c82 n SER 815 N -5.36 3.16 0.18 1.04 7.64 -1.26 -4.71 113.62 114.32 1c82 n SER 815 Ca 0.29 -3.82 0.06 0.00 1.01 0.00 0.00 58.87 56.41 1c82 n SER 815 Cb 0.96 -0.57 0.27 0.00 -1.01 0.00 0.00 64.21 63.85 1c82 n SER 815 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1c82 h SER 816 N 1.32 0.00 -3.51 6.43 4.64 -1.01 -3.43 113.55 118.00 1c82 h SER 816 Ca 0.23 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.99 1c82 h SER 816 Cb 1.43 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.46 1c82 h SER 816 CO 0.47 0.38 0.91 -0.22 -0.87 0.00 0.00 176.83 177.49 1c82 s LEU 817 N -6.79 3.76 -0.09 5.97 2.96 -1.26 0.00 118.68 123.23 1c82 s LEU 817 Ca 0.01 0.74 -0.15 0.00 -0.22 0.00 0.00 54.13 54.52 1c82 s LEU 817 Cb 0.10 -3.55 -0.28 0.00 0.50 0.00 0.00 46.19 42.96 1c82 s LEU 817 CO 0.69 -1.11 0.58 0.40 -1.32 0.00 0.00 176.35 175.59 1c82 h ILE 818 N 6.04 1.02 -1.88 6.68 1.08 -1.59 -3.49 117.51 125.38 1c82 h ILE 818 Ca -0.22 -2.42 0.06 0.00 -0.39 0.00 0.00 64.86 61.89 1c82 h ILE 818 Cb 1.06 2.73 -0.20 0.00 -3.07 0.00 0.00 36.82 37.35 1c82 h ILE 818 CO 1.09 0.73 0.47 -0.70 -0.69 0.00 0.00 178.15 179.05 1c82 s GLU 819 N -2.49 0.75 -0.49 2.37 2.56 -1.18 -4.95 118.70 115.27 1c82 s GLU 819 Ca -0.19 0.02 0.06 0.00 0.00 0.00 0.00 54.97 54.86 1c82 s GLU 819 Cb 0.04 0.35 0.23 0.00 2.00 0.00 0.00 34.13 36.76 1c82 s GLU 819 CO 0.78 -0.27 0.83 -1.71 -0.56 0.00 0.00 175.26 174.34 1c82 n ASN 820 N 0.45 -2.81 -1.46 -1.70 4.05 -1.18 -1.09 115.26 111.51 1c82 n ASN 820 Ca -0.11 -3.19 0.00 0.00 0.45 0.00 0.00 54.58 51.73 1c82 n ASN 820 Cb 0.59 1.65 0.00 0.00 1.23 0.00 0.00 39.78 43.25 1c82 n ASN 820 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1c82 n ASN 821 N 1.90 1.51 0.28 1.20 0.23 0.37 -4.83 115.26 115.92 1c82 n ASN 821 Ca 0.12 -0.83 0.19 0.00 -0.53 0.00 0.00 54.58 53.52 1c82 n ASN 821 Cb 0.61 0.00 0.91 0.00 -2.08 0.00 0.00 39.78 39.22 1c82 n ASN 821 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1c82 h GLU 822 N 0.00 0.00 0.00 -3.83 9.09 -1.98 -3.26 114.58 114.60 1c82 h GLU 822 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1c82 h GLU 822 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1c82 h GLU 822 CO 0.00 0.00 -0.98 0.25 0.05 0.00 0.00 179.01 178.33 1c82 n THR 823 N -2.92 0.00 -3.84 -1.06 -2.24 -1.26 -4.80 114.28 98.17 1c82 n THR 823 Ca -0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1c82 n THR 823 Cb 0.16 0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 68.45 1c82 n THR 823 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1c82 s LEU 824 N -3.13 1.65 -0.04 3.22 2.96 -1.23 -1.00 118.68 121.11 1c82 s LEU 824 Ca 0.00 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1c82 s LEU 824 Cb 0.00 -0.03 0.03 0.00 0.50 0.00 0.00 46.19 46.69 1c82 s LEU 824 CO 0.00 -0.05 0.06 -1.10 -1.32 0.00 0.00 176.35 173.95 1c82 s GLN 825 N 0.41 -0.05 -0.08 1.98 -0.21 -0.91 -0.48 119.66 120.32 1c82 s GLN 825 Ca -0.03 0.35 -0.17 0.00 0.02 0.00 0.00 55.36 55.53 1c82 s GLN 825 Cb -0.05 -0.41 0.04 0.00 1.00 0.00 0.00 33.01 33.59 1c82 s GLN 825 CO -0.01 -0.28 0.40 0.45 -2.12 0.00 0.00 175.29 173.73 1c82 s SER 826 N 1.87 -0.35 0.01 5.90 0.15 -0.25 -0.57 113.70 120.45 1c82 s SER 826 Ca 0.01 0.48 0.04 0.00 0.70 0.00 0.00 55.95 57.17 1c82 s SER 826 Cb -0.12 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1c82 s SER 826 CO -0.03 -0.34 -0.12 -0.69 1.20 0.00 0.00 173.24 173.26 1c82 s VAL 827 N -0.67 0.90 -0.10 4.45 1.01 -0.61 -1.70 120.40 123.68 1c82 s VAL 827 Ca -0.08 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1c82 s VAL 827 Cb -0.04 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1c82 s VAL 827 CO 0.03 0.15 -0.23 -0.47 0.00 0.00 0.00 175.10 174.58 1c82 s TYR 828 N -0.47 2.58 -0.74 5.22 5.04 0.10 -1.08 117.35 128.00 1c82 s TYR 828 Ca 0.03 -1.02 -0.12 0.00 -2.44 0.00 0.00 57.07 53.52 1c82 s TYR 828 Cb -0.05 -1.72 0.19 0.00 0.35 0.00 0.00 41.96 40.73 1c82 s TYR 828 CO 0.00 -0.41 0.65 0.34 -1.34 0.00 0.00 175.55 174.80 1c82 s ASP 829 N 0.34 6.35 0.25 4.32 -1.08 0.13 -4.50 116.67 122.48 1c82 s ASP 829 Ca -0.18 -2.60 -0.04 0.00 -0.52 0.00 0.00 52.55 49.21 1c82 s ASP 829 Cb -0.18 -2.13 0.38 0.00 -1.46 0.00 0.00 42.92 39.53 1c82 s ASP 829 CO 0.09 -0.57 1.83 0.00 0.52 0.00 0.00 175.17 177.04 1c82 h ALA 830 N 7.77 1.21 -0.56 3.66 0.00 -1.92 1.23 119.26 130.66 1c82 h ALA 830 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1c82 h ALA 830 Cb 1.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1c82 h ALA 830 CO 0.78 0.20 0.34 -0.22 0.00 0.00 0.00 179.25 180.34 1c82 h LYS 831 N 0.90 0.76 0.00 0.00 3.64 -1.95 -3.01 116.57 116.91 1c82 h LYS 831 Ca 0.40 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.53 1c82 h LYS 831 Cb 0.28 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1c82 h LYS 831 CO -0.21 0.55 -1.10 1.96 -2.27 0.00 0.00 179.45 178.37 1c82 h GLN 832 N 0.75 0.00 -1.25 1.90 4.20 -1.81 -3.48 115.11 115.43 1c82 h GLN 832 Ca 0.20 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 1c82 h GLN 832 Cb -0.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.78 1c82 h GLN 832 CO -0.04 0.55 -0.09 0.41 -0.67 0.00 0.00 178.83 179.00 1c82 n GLY 833 N 1.36 0.59 3.25 3.46 0.00 0.42 -4.80 105.19 109.48 1c82 n GLY 833 Ca -0.05 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1c82 n GLY 833 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c82 s VAL 834 N -2.75 1.90 -0.04 1.61 1.01 -0.84 -1.11 120.40 120.18 1c82 s VAL 834 Ca 0.05 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1c82 s VAL 834 Cb -0.02 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1c82 s VAL 834 CO 0.07 0.53 -0.18 0.26 0.00 0.00 0.00 175.10 175.78 1c82 s TRP 835 N -0.30 2.60 -0.13 5.22 0.51 0.15 0.23 118.94 127.21 1c82 s TRP 835 Ca 0.02 -0.24 0.01 0.00 -2.12 0.00 0.00 56.10 53.77 1c82 s TRP 835 Cb -0.12 -1.59 -0.00 0.00 -0.81 0.00 0.00 33.47 30.95 1c82 s TRP 835 CO 0.02 0.13 -0.18 0.20 -0.51 0.00 0.00 176.95 176.61 1c82 s GLY 836 N -0.71 1.44 -0.01 0.98 0.00 -0.24 -0.83 107.32 107.96 1c82 s GLY 836 Ca 0.11 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.85 1c82 s GLY 836 CO 0.00 -0.14 0.02 -0.42 0.00 0.00 0.00 173.10 172.55 1c82 s ILE 837 N 0.54 -0.01 -0.09 0.90 1.01 -0.12 -1.57 121.20 121.85 1c82 s ILE 837 Ca -0.11 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1c82 s ILE 837 Cb -0.16 -0.04 0.02 0.00 0.01 0.00 0.00 42.46 42.29 1c82 s ILE 837 CO 0.04 0.01 -0.11 -0.69 0.00 0.00 0.00 174.94 174.19 1c82 s VAL 838 N 0.18 1.20 -0.12 2.92 1.01 0.26 0.52 120.40 126.37 1c82 s VAL 838 Ca -0.01 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1c82 s VAL 838 Cb -0.02 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 1c82 s VAL 838 CO -0.01 0.38 -0.19 -0.54 0.00 0.00 0.00 175.10 174.75 1c82 s LYS 839 N 1.11 3.19 0.00 2.72 1.02 0.23 -2.14 119.74 125.87 1c82 s LYS 839 Ca -0.06 -0.79 0.25 0.00 0.02 0.00 0.00 55.97 55.39 1c82 s LYS 839 Cb -0.14 -2.47 0.42 0.00 -0.52 0.00 0.00 37.83 35.11 1c82 s LYS 839 CO -0.02 0.16 1.36 0.66 -0.92 0.00 0.00 175.35 176.59 1c82 n TYR 840 N 3.63 0.00 -4.11 3.18 4.02 -0.17 -0.52 117.16 123.19 1c82 n TYR 840 Ca -0.19 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.57 1c82 n TYR 840 Cb 0.53 -0.05 -0.06 0.00 -0.02 0.00 0.00 39.34 39.74 1c82 n TYR 840 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1c82 s ASP 841 N -2.38 0.64 -0.16 7.72 1.47 -1.26 -4.92 116.67 117.78 1c82 s ASP 841 Ca 0.24 -1.38 0.06 0.00 1.18 0.00 0.00 52.55 52.65 1c82 s ASP 841 Cb 0.19 0.58 0.41 0.00 -0.34 0.00 0.00 42.92 43.77 1c82 s ASP 841 CO 0.50 -1.15 1.27 0.47 0.68 0.00 0.00 175.17 176.93 1c82 n ASP 842 N -0.99 3.50 -4.72 2.11 8.00 -1.26 -3.17 116.55 120.01 1c82 n ASP 842 Ca 0.01 -2.61 -0.29 0.00 0.71 0.00 0.00 54.79 52.61 1c82 n ASP 842 Cb 0.63 -0.63 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 1c82 n ASP 842 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1c82 s SER 843 N -0.35 3.36 -0.33 -2.24 1.04 -1.26 -4.76 113.70 109.16 1c82 s SER 843 Ca 0.30 1.34 -0.23 0.00 0.48 0.00 0.00 55.95 57.84 1c82 s SER 843 Cb 0.23 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.34 1c82 s SER 843 CO 0.08 -2.69 0.77 -0.69 0.98 0.00 0.00 173.24 171.69 1c82 s VAL 844 N -3.00 4.79 -0.28 5.02 1.01 -1.26 -4.57 120.40 122.11 1c82 s VAL 844 Ca 0.64 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 63.58 1c82 s VAL 844 Cb -0.17 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1c82 s VAL 844 CO 0.56 -0.30 0.11 -0.44 0.00 0.00 0.00 175.10 175.03 1c82 s SER 845 N 1.70 5.32 -0.18 3.32 0.01 -0.77 -5.00 113.70 118.10 1c82 s SER 845 Ca 0.31 -0.41 -0.17 0.00 1.31 0.00 0.00 55.95 57.00 1c82 s SER 845 Cb -0.14 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 1c82 s SER 845 CO 0.14 -0.12 0.43 -0.89 0.41 0.00 0.00 173.24 173.20 1c82 s THR 846 N 1.60 5.19 -0.16 1.44 2.01 -1.26 -1.31 115.64 123.16 1c82 s THR 846 Ca 0.05 0.79 -0.02 0.00 0.31 0.00 0.00 61.69 62.82 1c82 s THR 846 Cb -0.16 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 1c82 s THR 846 CO 0.05 0.27 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.53 1c82 s ILE 847 N 1.14 3.33 -0.53 1.82 -1.09 0.85 -4.68 121.20 122.05 1c82 s ILE 847 Ca 0.21 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1c82 s ILE 847 Cb -0.15 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 1c82 s ILE 847 CO 0.08 0.49 0.00 -1.20 -1.23 0.00 0.00 174.94 173.09 1c82 n SER 848 N 3.81 -2.39 -2.61 3.58 7.64 -1.26 -0.59 113.62 121.81 1c82 n SER 848 Ca -0.18 0.34 -0.16 0.00 1.01 0.00 0.00 58.87 59.88 1c82 n SER 848 Cb 0.52 -2.13 -0.00 0.00 -1.01 0.00 0.00 64.21 61.59 1c82 n SER 848 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1c82 n ASN 849 N -1.53 -4.31 0.00 6.43 5.15 -1.26 -4.80 115.26 114.94 1c82 n ASN 849 Ca -0.07 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1c82 n ASN 849 Cb 0.53 -3.62 0.00 0.00 -0.53 0.00 0.00 39.78 36.16 1c82 n ASN 849 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1c82 n GLN 850 N -3.06 1.22 -3.94 1.20 6.02 0.24 -5.12 117.38 113.95 1c82 n GLN 850 Ca -0.14 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.75 1c82 n GLN 850 Cb 0.61 -0.95 -0.02 0.00 1.02 0.00 0.00 30.24 30.90 1c82 n GLN 850 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1c82 s PHE 851 N -1.91 0.41 -0.01 1.08 -0.12 -1.11 -4.84 117.98 111.47 1c82 s PHE 851 Ca 0.00 -0.86 0.04 0.00 -0.05 0.00 0.00 56.93 56.06 1c82 s PHE 851 Cb 0.00 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.80 1c82 s PHE 851 CO 0.00 -1.28 -0.12 -0.65 -0.05 0.00 0.00 175.22 173.12 1c82 s GLN 852 N -3.10 1.06 -0.08 1.99 -0.21 -0.28 -0.10 119.66 118.94 1c82 s GLN 852 Ca 0.21 -0.44 0.01 0.00 0.02 0.00 0.00 55.36 55.16 1c82 s GLN 852 Cb -0.03 -1.01 -0.03 0.00 1.00 0.00 0.00 33.01 32.94 1c82 s GLN 852 CO 0.13 0.25 -0.10 0.14 -2.12 0.00 0.00 175.29 173.59 1c82 s VAL 853 N -0.21 3.41 0.00 1.09 -7.23 -0.42 -0.21 120.40 116.83 1c82 s VAL 853 Ca 0.03 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1c82 s VAL 853 Cb -0.06 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1c82 s VAL 853 CO -0.00 0.58 0.37 0.18 -0.31 0.00 0.00 175.10 175.91 1c82 n LEU 854 N 2.52 0.73 -4.29 1.32 4.77 0.47 -1.85 117.00 120.67 1c82 n LEU 854 Ca -0.18 -0.84 -0.27 0.00 -0.03 0.00 0.00 56.01 54.69 1c82 n LEU 854 Cb 0.53 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 1c82 n LEU 854 CO 0.27 0.18 -0.54 -0.54 -1.33 0.00 0.00 177.39 175.44 1c82 s LYS 855 N -0.23 1.50 0.31 3.23 -0.14 -1.26 -4.50 119.74 118.64 1c82 s LYS 855 Ca 0.00 -1.03 -0.30 0.00 -1.36 0.00 0.00 55.97 53.28 1c82 s LYS 855 Cb 0.00 -1.66 -0.11 0.00 -1.68 0.00 0.00 37.83 34.37 1c82 s LYS 855 CO 0.00 0.42 1.58 0.50 -0.76 0.00 0.00 175.35 177.09 1c82 s ARG 856 N -1.30 4.12 0.00 1.68 3.52 -1.19 -4.71 118.95 121.07 1c82 s ARG 856 Ca 0.09 2.58 0.00 0.00 -0.13 0.00 0.00 55.73 58.27 1c82 s ARG 856 Cb -0.09 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1c82 s ARG 856 CO 0.02 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.30 1c82 n GLY 857 N 1.89 -0.04 3.36 8.12 0.00 0.33 -4.82 105.19 114.03 1c82 n GLY 857 Ca 0.07 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1c82 n GLY 857 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c82 s VAL 858 N -2.62 2.80 0.07 1.61 1.01 0.08 -0.60 120.40 122.76 1c82 s VAL 858 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1c82 s VAL 858 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1c82 s VAL 858 CO 0.00 0.55 -0.18 -0.31 0.00 0.00 0.00 175.10 175.16 1c82 s TYR 859 N 0.01 1.58 -0.15 5.22 1.51 0.18 -1.05 117.35 124.65 1c82 s TYR 859 Ca -0.05 -0.41 -0.05 0.00 -1.01 0.00 0.00 57.07 55.56 1c82 s TYR 859 Cb -0.15 -0.90 0.06 0.00 -0.11 0.00 0.00 41.96 40.87 1c82 s TYR 859 CO 0.04 0.12 0.09 0.99 -1.11 0.00 0.00 175.55 175.69 1c82 s THR 860 N -1.05 -0.11 -0.02 -0.71 2.01 -0.50 -0.95 115.64 114.31 1c82 s THR 860 Ca 0.04 -0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1c82 s THR 860 Cb -0.09 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1c82 s THR 860 CO 0.03 -0.21 -0.24 -0.63 -0.69 0.00 0.00 174.62 172.88 1c82 s ILE 861 N 2.16 1.87 -0.04 1.82 1.01 -0.01 -1.65 121.20 126.36 1c82 s ILE 861 Ca 0.03 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1c82 s ILE 861 Cb -0.15 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.76 1c82 s ILE 861 CO -0.08 0.53 -0.15 -0.60 0.00 0.00 0.00 174.94 174.64 1c82 s ARG 862 N -0.50 1.58 -0.22 2.79 3.52 -0.38 0.30 118.95 126.04 1c82 s ARG 862 Ca 0.07 -0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 55.07 1c82 s ARG 862 Cb -0.10 -1.38 -0.04 0.00 -1.56 0.00 0.00 34.95 31.87 1c82 s ARG 862 CO -0.00 0.19 0.12 0.21 -0.81 0.00 0.00 175.30 175.00 1c82 s LYS 863 N 0.14 4.00 -0.44 5.12 2.20 -0.26 0.03 119.74 130.52 1c82 s LYS 863 Ca -0.05 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 1c82 s LYS 863 Cb -0.11 -3.41 0.13 0.00 -1.51 0.00 0.00 37.83 32.93 1c82 s LYS 863 CO 0.02 0.11 0.21 -1.21 -0.36 0.00 0.00 175.35 174.12 1c82 s GLU 864 N 0.88 1.45 7.59 4.03 2.02 -0.29 -4.84 118.70 129.53 1c82 s GLU 864 Ca 0.06 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 52.98 1c82 s GLU 864 Cb -0.13 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1c82 s GLU 864 CO 0.03 -1.10 0.00 0.41 0.02 0.00 0.00 175.26 174.61 1c82 n GLY 865 N 3.63 2.35 0.59 -1.39 0.00 -1.26 -2.36 105.19 106.76 1c82 n GLY 865 Ca 0.06 -0.34 0.07 0.00 0.00 0.00 0.00 46.02 45.80 1c82 n GLY 865 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c82 n ASP 866 N 9.26 2.37 -4.90 1.61 8.00 -1.26 -4.97 116.55 126.67 1c82 n ASP 866 Ca 0.00 -1.67 -0.34 0.00 0.71 0.00 0.00 54.79 53.49 1c82 n ASP 866 Cb 0.00 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 1c82 n ASP 866 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1c82 s GLU 867 N -1.07 3.50 -0.15 -1.24 1.03 -0.99 -5.10 118.70 114.68 1c82 s GLU 867 Ca 0.19 -0.21 0.01 0.00 0.03 0.00 0.00 54.97 54.99 1c82 s GLU 867 Cb 0.12 -3.08 0.01 0.00 -0.80 0.00 0.00 34.13 30.38 1c82 s GLU 867 CO 0.17 0.66 -0.19 0.71 -1.33 0.00 0.00 175.26 175.28 1c82 s TYR 868 N -1.33 2.73 -0.21 4.83 2.02 -1.26 -1.14 117.35 122.99 1c82 s TYR 868 Ca 0.28 -1.23 -0.20 0.00 -0.37 0.00 0.00 57.07 55.55 1c82 s TYR 868 Cb -0.13 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 1c82 s TYR 868 CO 0.18 -0.57 0.59 0.15 -1.57 0.00 0.00 175.55 174.33 1c82 s LYS 869 N 0.86 4.18 -0.11 -0.62 3.01 0.10 -4.95 119.74 122.21 1c82 s LYS 869 Ca -0.05 0.53 0.01 0.00 -1.01 0.00 0.00 55.97 55.45 1c82 s LYS 869 Cb -0.15 -3.59 -0.01 0.00 -1.01 0.00 0.00 37.83 33.06 1c82 s LYS 869 CO -0.02 -0.25 -0.15 0.42 0.51 0.00 0.00 175.35 175.86 1c82 s ILE 870 N 1.96 2.92 -0.26 2.17 1.01 -1.26 -1.25 121.20 126.49 1c82 s ILE 870 Ca 0.27 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 1c82 s ILE 870 Cb -0.16 -2.20 0.08 0.00 0.01 0.00 0.00 42.46 40.19 1c82 s ILE 870 CO 0.10 0.54 0.02 0.00 0.00 0.00 0.00 174.94 175.60 1c82 s ALA 871 N 0.17 1.74 -0.04 9.38 0.00 -0.66 -5.03 121.76 127.33 1c82 s ALA 871 Ca -0.08 -1.45 0.06 0.00 0.00 0.00 0.00 51.96 50.49 1c82 s ALA 871 Cb -0.15 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 1c82 s ALA 871 CO 0.05 -1.39 -0.23 -0.47 0.00 0.00 0.00 175.76 173.73 1c82 s TYR 872 N 1.50 2.46 -0.05 0.00 5.04 -1.26 -1.41 117.35 123.63 1c82 s TYR 872 Ca 0.02 -0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 54.20 1c82 s TYR 872 Cb -0.18 -1.56 0.03 0.00 0.35 0.00 0.00 41.96 40.60 1c82 s TYR 872 CO -0.13 -0.03 0.09 -0.47 -1.34 0.00 0.00 175.55 173.68 1c82 s TYR 873 N -0.52 -0.05 -0.50 4.97 5.04 -0.21 -4.36 117.35 121.72 1c82 s TYR 873 Ca 0.07 0.32 -0.16 0.00 -2.44 0.00 0.00 57.07 54.86 1c82 s TYR 873 Cb -0.11 -0.23 0.08 0.00 0.35 0.00 0.00 41.96 42.06 1c82 s TYR 873 CO 0.01 -0.15 0.45 1.21 -1.34 0.00 0.00 175.55 175.73 1c82 s ASN 874 N 1.42 6.17 0.56 4.32 3.04 -0.06 -0.74 114.94 129.66 1c82 s ASN 874 Ca -0.06 -1.39 0.25 0.00 0.04 0.00 0.00 52.86 51.70 1c82 s ASN 874 Cb -0.12 -2.21 1.60 0.00 -1.54 0.00 0.00 41.25 38.98 1c82 s ASN 874 CO -0.04 -0.74 2.19 1.55 -3.04 0.00 0.00 177.10 177.02 1c82 h PRO 875 N 8.83 0.00 -0.02 0.43 0.13 -1.86 0.14 132.00 139.65 1c82 h PRO 875 Ca -0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1c82 h PRO 875 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1c82 h PRO 875 CO 0.93 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.58 1c82 h GLU 876 N 0.00 0.07 0.00 0.86 5.08 -1.88 -3.26 114.58 115.46 1c82 h GLU 876 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1c82 h GLU 876 Cb 0.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1c82 h GLU 876 CO -0.00 0.67 -0.38 0.25 -1.00 0.00 0.00 179.01 178.55 1c82 n THR 877 N -4.73 0.04 -3.53 1.13 -2.24 -1.19 -4.94 114.28 98.82 1c82 n THR 877 Ca -0.09 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.45 1c82 n THR 877 Cb 0.34 0.02 0.08 0.00 -2.10 0.00 0.00 70.33 68.67 1c82 n THR 877 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c82 n GLN 878 N -1.56 -7.48 -4.01 -0.78 6.02 0.02 -5.00 117.38 104.59 1c82 n GLN 878 Ca 0.06 0.84 -0.08 0.00 -0.01 0.00 0.00 57.00 57.80 1c82 n GLN 878 Cb 0.35 -5.87 -0.10 0.00 1.02 0.00 0.00 30.24 25.63 1c82 n GLN 878 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1c82 s GLU 879 N -5.96 0.48 0.00 -1.09 2.02 -1.12 -4.98 118.70 108.05 1c82 s GLU 879 Ca 0.37 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1c82 s GLU 879 Cb -0.16 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.24 1c82 s GLU 879 CO 0.73 -0.09 0.00 0.45 0.02 0.00 0.00 175.26 176.36 1c82 n SER 880 N 0.87 0.00 -3.54 -0.19 2.88 -1.26 -0.88 113.62 111.49 1c82 n SER 880 Ca -0.19 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.24 1c82 n SER 880 Cb 0.58 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.00 1c82 n SER 880 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1c82 s ALA 881 N -2.83 -1.87 0.37 -1.46 0.00 -1.26 -4.83 121.76 109.87 1c82 s ALA 881 Ca 0.00 1.36 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 1c82 s ALA 881 Cb 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 23.12 22.76 1c82 s ALA 881 CO 0.00 -0.44 1.13 -2.30 0.00 0.00 0.00 175.76 174.14 1c82 n PRO 882 N 0.43 1.65 -0.18 0.00 -0.02 -1.26 -4.86 135.00 130.76 1c82 n PRO 882 Ca -0.11 0.58 -0.01 0.00 -2.02 0.00 0.00 63.50 61.94 1c82 n PRO 882 Cb 0.59 -2.12 0.07 0.00 -0.02 0.00 0.00 33.50 32.02 1c82 n PRO 882 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1c82 h ASP 883 N 2.01 -0.34 0.00 2.55 3.32 -1.99 -0.26 116.42 121.71 1c82 h ASP 883 Ca -0.44 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1c82 h ASP 883 Cb 1.32 0.28 0.00 0.00 0.22 0.00 0.00 39.33 41.14 1c82 h ASP 883 CO 0.60 -0.13 0.09 0.06 -1.72 0.00 0.00 179.24 178.14 1c82 h GLN 884 N 0.07 0.00 0.08 3.56 -0.00 -1.90 0.20 115.11 117.13 1c82 h GLN 884 Ca 0.28 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.66 1c82 h GLN 884 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.90 1c82 h GLN 884 CO -0.51 0.00 -1.32 0.93 -0.00 0.00 0.00 178.83 177.93 1c82 h GLU 885 N 0.00 0.17 0.00 0.06 5.08 -1.38 -3.40 114.58 115.11 1c82 h GLU 885 Ca 0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1c82 h GLU 885 Cb 0.17 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1c82 h GLU 885 CO 0.00 1.06 -0.83 1.33 -1.00 0.00 0.00 179.01 179.58 1c82 n VAL 886 N -3.41 0.00 -4.55 3.13 0.24 -0.45 -4.57 118.33 108.71 1c82 n VAL 886 Ca -0.10 -0.24 -0.22 0.00 -2.04 0.00 0.00 64.34 61.74 1c82 n VAL 886 Cb 1.01 0.65 -0.14 0.00 -1.47 0.00 0.00 33.84 33.89 1c82 n VAL 886 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1c82 s PHE 887 N -2.04 1.42 0.01 6.34 5.36 0.59 -0.40 117.98 129.27 1c82 s PHE 887 Ca -0.00 -0.32 -0.04 0.00 -0.96 0.00 0.00 56.93 55.61 1c82 s PHE 887 Cb 0.04 -0.87 -0.01 0.00 -0.34 0.00 0.00 43.02 41.85 1c82 s PHE 887 CO 0.26 0.03 0.06 0.21 -1.46 0.00 0.00 175.22 174.31 1c82 s LYS 888 N -0.86 0.40 0.00 10.12 2.36 0.71 -4.38 119.74 128.09 1c82 s LYS 888 Ca 0.05 -0.50 0.00 0.00 -2.55 0.00 0.00 55.97 52.97 1c82 s LYS 888 Cb -0.07 0.16 0.00 0.00 -1.05 0.00 0.00 37.83 36.86 1c82 s LYS 888 CO 0.01 -0.08 0.00 1.17 1.55 0.00 0.00 175.35 177.99