#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7p n LYS 171 N 0.00 0.00 -1.57 1.45 4.76 -1.26 -5.20 118.16 116.34 1n7p n LYS 171 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1n7p n LYS 171 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1n7p n LYS 171 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1n7p n ASP 172 N -0.53 0.00 0.27 4.39 3.85 -1.26 -5.04 116.55 118.22 1n7p n ASP 172 Ca 0.00 -0.92 0.15 0.00 -0.71 0.00 0.00 54.79 53.31 1n7p n ASP 172 Cb 0.00 0.00 0.71 0.00 -1.35 0.00 0.00 41.12 40.48 1n7p n ASP 172 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.20 176.90 1n7p h THR 173 N 0.92 0.25 -0.38 2.12 1.35 -2.02 -2.10 112.91 113.05 1n7p h THR 173 Ca 0.00 -0.60 -0.08 0.00 -0.55 0.00 0.00 66.41 65.18 1n7p h THR 173 Cb 0.00 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1n7p h THR 173 CO 0.00 0.08 -0.07 1.88 -0.25 0.00 0.00 175.52 177.16 1n7p h TYR 174 N 0.00 0.80 0.00 4.73 0.05 -1.97 -2.41 116.97 118.17 1n7p h TYR 174 Ca -0.00 -0.16 -0.10 0.00 0.05 0.00 0.00 58.73 58.51 1n7p h TYR 174 Cb 0.47 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 1n7p h TYR 174 CO 0.00 0.84 -0.49 1.79 -1.05 0.00 0.00 178.16 179.25 1n7p h THR 175 N 0.52 1.07 -0.70 -2.88 1.35 -1.79 -2.23 112.91 108.24 1n7p h THR 175 Ca 0.10 -1.89 -0.03 0.00 -0.55 0.00 0.00 66.41 64.04 1n7p h THR 175 Cb 0.57 2.11 -0.03 0.00 -1.73 0.00 0.00 68.15 69.07 1n7p h THR 175 CO 0.03 0.48 0.31 0.44 -0.25 0.00 0.00 175.52 176.54 1n7p h ASP 176 N 0.00 0.92 -0.34 5.36 3.45 -1.29 0.88 116.42 125.41 1n7p h ASP 176 Ca -0.00 -0.11 -0.16 0.00 0.43 0.00 0.00 57.03 57.19 1n7p h ASP 176 Cb 1.07 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.60 1n7p h ASP 176 CO 0.06 0.80 -0.39 0.03 -1.57 0.00 0.00 179.24 178.18 1n7p h ARG 177 N 1.00 0.89 -0.01 3.56 2.47 -1.19 -2.76 114.38 118.34 1n7p h ARG 177 Ca 0.24 -0.47 -0.10 0.00 -1.26 0.00 0.00 59.98 58.40 1n7p h ARG 177 Cb 0.14 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 1n7p h ARG 177 CO -0.03 1.12 -0.45 -0.07 0.56 0.00 0.00 179.97 181.10 1n7p h LEU 178 N 0.73 0.03 -0.41 3.04 3.38 -1.04 0.12 115.31 121.16 1n7p h LEU 178 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1n7p h LEU 178 Cb 0.97 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1n7p h LEU 178 CO 0.09 0.48 0.26 0.44 0.09 0.00 0.00 178.44 179.81 1n7p h ASP 179 N 0.02 0.47 -0.61 -0.43 3.32 -0.73 0.33 116.42 118.80 1n7p h ASP 179 Ca -0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1n7p h ASP 179 Cb 0.81 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1n7p h ASP 179 CO 0.06 0.35 0.29 0.44 -1.72 0.00 0.00 179.24 178.66 1n7p h ASP 180 N 0.55 0.79 -0.88 6.45 3.32 -1.10 -1.70 116.42 123.85 1n7p h ASP 180 Ca 0.15 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1n7p h ASP 180 Cb -0.05 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1n7p h ASP 180 CO -0.03 0.70 0.47 -0.25 -1.72 0.00 0.00 179.24 178.41 1n7p h TRP 181 N 0.83 1.22 -0.58 4.55 2.91 -0.83 -2.33 115.95 121.71 1n7p h TRP 181 Ca 0.21 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 60.15 1n7p h TRP 181 Cb 0.12 -0.39 -0.03 0.00 -0.51 0.00 0.00 29.16 28.35 1n7p h TRP 181 CO -0.00 0.85 0.19 -0.91 -1.03 0.00 0.00 178.44 177.54 1n7p h ASN 182 N 1.23 0.80 0.54 2.65 2.35 -0.42 -0.50 115.58 122.23 1n7p h ASN 182 Ca 0.31 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1n7p h ASN 182 Cb 0.05 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1n7p h ASN 182 CO -0.05 0.75 -0.19 1.23 -1.65 0.00 0.00 177.43 177.52 1n7p h GLY 183 N 0.98 0.00 0.35 2.83 0.00 -0.81 -1.23 103.07 105.19 1n7p h GLY 183 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.26 1n7p h GLY 183 CO -0.01 0.00 -1.38 -2.22 0.00 0.00 0.00 176.54 172.93 1n7p h ILE 184 N 0.00 0.96 0.00 2.60 2.04 -0.87 -3.15 117.51 119.10 1n7p h ILE 184 Ca -0.00 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1n7p h ILE 184 Cb 0.51 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1n7p h ILE 184 CO 0.02 0.61 -0.22 2.30 0.00 0.00 0.00 178.15 180.86 1n7p n ILE 185 N -4.05 0.40 0.06 -0.67 -5.35 -0.27 -4.64 119.36 104.85 1n7p n ILE 185 Ca -0.28 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1n7p n ILE 185 Cb 0.83 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 1n7p n ILE 185 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1n7p n ALA 186 N -1.74 3.00 -2.10 -1.28 0.00 -0.80 -4.84 120.51 112.75 1n7p n ALA 186 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1n7p n ALA 186 Cb 0.41 0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 1n7p n ALA 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7p n GLY 187 N 1.57 0.30 0.37 0.00 0.00 -0.53 -2.13 105.19 104.77 1n7p n GLY 187 Ca 0.00 -0.76 0.15 0.00 0.00 0.00 0.00 46.02 45.41 1n7p n GLY 187 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1n7p h ASN 188 N -0.03 0.26 -0.03 1.61 2.35 -1.87 0.23 115.58 118.11 1n7p h ASN 188 Ca -0.06 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1n7p h ASN 188 Cb 1.05 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.37 1n7p h ASN 188 CO 0.07 0.15 0.08 0.06 -1.65 0.00 0.00 177.43 176.14 1n7p h GLN 189 N 0.29 0.00 -0.01 0.81 3.07 -1.92 -1.87 115.11 115.47 1n7p h GLN 189 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 1n7p h GLN 189 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.30 1n7p h GLN 189 CO -0.07 0.00 -0.41 0.66 0.09 0.00 0.00 178.83 179.10 1n7p n TYR 190 N -3.30 0.00 -1.91 0.06 4.01 0.07 -4.98 117.16 111.10 1n7p n TYR 190 Ca -0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 1n7p n TYR 190 Cb 0.15 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1n7p n TYR 190 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1n7p s TYR 191 N -2.48 2.71 -0.14 -0.72 5.04 -0.71 -4.99 117.35 116.07 1n7p s TYR 191 Ca 0.20 1.27 -0.04 0.00 -2.44 0.00 0.00 57.07 56.06 1n7p s TYR 191 Cb 0.18 -3.89 0.06 0.00 0.35 0.00 0.00 41.96 38.67 1n7p s TYR 191 CO 0.56 -2.61 0.13 0.34 -1.34 0.00 0.00 175.55 172.63 1n7p s ASP 192 N -0.34 1.61 0.57 4.32 2.15 -1.26 -5.04 116.67 118.68 1n7p s ASP 192 Ca 0.53 -0.22 0.35 0.00 0.43 0.00 0.00 52.55 53.64 1n7p s ASP 192 Cb -0.44 0.02 1.68 0.00 -0.30 0.00 0.00 42.92 43.88 1n7p s ASP 192 CO 0.58 -0.31 2.11 0.77 -0.17 0.00 0.00 175.17 178.16 1n7p h SER 193 N 8.39 0.00 0.19 -0.34 4.64 -1.98 -1.63 113.55 122.82 1n7p h SER 193 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1n7p h SER 193 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1n7p h SER 193 CO 0.23 0.04 -0.04 0.29 -0.87 0.00 0.00 176.83 176.48 1n7p n LYS 194 N -3.22 0.94 -3.13 4.77 4.76 -1.26 -4.71 118.16 116.30 1n7p n LYS 194 Ca -0.01 -0.25 -0.43 0.00 -2.87 0.00 0.00 58.31 54.75 1n7p n LYS 194 Cb 0.23 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.85 1n7p n LYS 194 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1n7p s ASN 195 N -2.23 6.31 0.17 4.39 3.84 -0.61 -4.98 114.94 121.83 1n7p s ASN 195 Ca 0.37 -0.37 -0.16 0.00 0.21 0.00 0.00 52.86 52.91 1n7p s ASN 195 Cb 0.21 -2.31 0.11 0.00 -0.55 0.00 0.00 41.25 38.71 1n7p s ASN 195 CO 0.41 -0.76 1.67 -0.78 -2.79 0.00 0.00 177.10 174.85 1n7p h ASP 196 N 8.86 -0.38 -0.39 -4.21 -0.00 -1.86 -0.19 116.42 118.24 1n7p h ASP 196 Ca -0.25 0.13 -0.14 0.00 -0.00 0.00 0.00 57.03 56.76 1n7p h ASP 196 Cb 1.10 0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 40.68 1n7p h ASP 196 CO 0.88 -0.13 -0.30 1.56 -0.00 0.00 0.00 179.24 181.25 1n7p h GLN 197 N 0.01 0.90 -0.54 0.28 1.08 -1.95 -2.26 115.11 112.63 1n7p h GLN 197 Ca 0.20 -0.44 -0.06 0.00 -1.45 0.00 0.00 58.65 56.91 1n7p h GLN 197 Cb 0.31 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1n7p h GLN 197 CO -0.43 1.09 0.12 0.52 -0.95 0.00 0.00 178.83 179.18 1n7p h MET 198 N 0.71 0.87 -0.22 1.46 2.86 -1.79 -2.66 114.93 116.17 1n7p h MET 198 Ca 0.07 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1n7p h MET 198 Cb 0.88 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1n7p h MET 198 CO 0.08 0.83 0.14 0.00 1.06 0.00 0.00 176.91 179.02 1n7p h ALA 199 N 1.00 1.83 -0.54 6.32 0.00 -0.89 -0.91 119.26 126.08 1n7p h ALA 199 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1n7p h ALA 199 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1n7p h ALA 199 CO 0.00 0.15 0.05 -0.22 0.00 0.00 0.00 179.25 179.24 1n7p h LYS 200 N 0.30 0.92 -0.29 0.00 3.64 -1.07 -0.65 116.57 119.41 1n7p h LYS 200 Ca 0.08 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 59.06 1n7p h LYS 200 Cb -0.02 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1n7p h LYS 200 CO -0.02 0.91 -0.33 1.25 -2.27 0.00 0.00 179.45 178.99 1n7p h LEU 201 N 0.80 0.80 -0.63 5.20 5.85 -1.18 -1.85 115.31 124.30 1n7p h LEU 201 Ca 0.16 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.45 1n7p h LEU 201 Cb 0.46 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1n7p h LEU 201 CO 0.02 1.12 0.34 -1.13 -0.34 0.00 0.00 178.44 178.45 1n7p h ASN 202 N 0.49 0.50 -0.29 1.25 -0.73 -1.09 -1.69 115.58 114.03 1n7p h ASN 202 Ca 0.04 0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.16 1n7p h ASN 202 Cb 0.91 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.41 1n7p h ASN 202 CO 0.08 0.33 -0.10 -0.61 -0.37 0.00 0.00 177.43 176.76 1n7p h GLN 203 N 0.64 0.69 -0.49 6.67 5.75 -0.96 0.73 115.11 128.14 1n7p h GLN 203 Ca 0.28 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1n7p h GLN 203 Cb 0.17 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1n7p h GLN 203 CO -0.18 0.77 0.32 1.49 -2.65 0.00 0.00 178.83 178.59 1n7p h GLU 204 N 0.64 0.63 -0.40 1.69 4.81 -0.96 -1.69 114.58 119.29 1n7p h GLU 204 Ca 0.11 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 1n7p h GLU 204 Cb 0.54 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1n7p h GLU 204 CO 0.03 0.42 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.36 1n7p h LEU 205 N 0.65 0.92 -0.51 1.64 3.38 -0.62 -2.01 115.31 118.76 1n7p h LEU 205 Ca 0.18 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.85 1n7p h LEU 205 Cb -0.06 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.37 1n7p h LEU 205 CO -0.05 1.14 0.15 -0.33 0.09 0.00 0.00 178.44 179.45 1n7p h GLU 206 N 0.75 0.30 -0.37 1.13 4.39 -0.75 -1.04 114.58 118.98 1n7p h GLU 206 Ca 0.08 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 1n7p h GLU 206 Cb 0.86 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1n7p h GLU 206 CO 0.08 0.20 0.07 0.78 -1.16 0.00 0.00 179.01 178.98 1n7p h GLY 207 N 0.31 0.66 0.99 -3.84 0.00 -1.13 -0.92 103.07 99.14 1n7p h GLY 207 Ca 0.25 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1n7p h GLY 207 CO -0.28 0.40 0.33 0.50 0.00 0.00 0.00 176.54 177.48 1n7p h LYS 208 N 0.46 0.73 -0.41 4.80 1.57 -1.14 -1.34 116.57 121.24 1n7p h LYS 208 Ca 0.11 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1n7p h LYS 208 Cb 0.34 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1n7p h LYS 208 CO 0.00 0.53 0.05 0.28 -0.57 0.00 0.00 179.45 179.74 1n7p h VAL 209 N 0.73 1.25 -0.39 0.50 2.07 -1.10 -1.69 116.25 117.62 1n7p h VAL 209 Ca 0.20 -0.91 0.07 0.00 0.82 0.00 0.00 66.70 66.88 1n7p h VAL 209 Cb -0.02 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1n7p h VAL 209 CO -0.04 0.31 0.02 0.00 0.02 0.00 0.00 177.57 177.88 1n7p h ALA 210 N 0.92 0.37 -0.45 1.67 0.00 -1.05 0.51 119.26 121.23 1n7p h ALA 210 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1n7p h ALA 210 Cb 0.40 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1n7p h ALA 210 CO 0.01 -0.38 0.29 -0.44 0.00 0.00 0.00 179.25 178.73 1n7p h ASP 211 N 0.12 0.52 -0.61 0.00 3.32 -1.08 -1.98 116.42 116.72 1n7p h ASP 211 Ca 0.19 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1n7p h ASP 211 Cb 0.26 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1n7p h ASP 211 CO -0.30 0.40 0.01 0.28 -1.72 0.00 0.00 179.24 177.90 1n7p h SER 212 N 0.60 1.05 0.19 6.45 0.02 -0.91 -2.91 113.55 118.04 1n7p h SER 212 Ca 0.16 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 1n7p h SER 212 Cb -0.05 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 1n7p h SER 212 CO -0.03 1.09 -0.33 -0.07 -1.14 0.00 0.00 176.83 176.35 1n7p h LEU 213 N 0.98 0.22 -0.65 5.07 3.38 -0.62 -1.18 115.31 122.50 1n7p h LEU 213 Ca 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1n7p h LEU 213 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1n7p h LEU 213 CO 0.03 0.55 0.00 -1.54 0.09 0.00 0.00 178.44 177.57 1n7p n SER 214 N -4.10 0.99 0.00 -0.43 3.41 -0.77 -3.86 113.62 108.87 1n7p n SER 214 Ca -0.01 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1n7p n SER 214 Cb 0.42 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1n7p n SER 214 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n7p n SER 215 N -0.17 0.04 -4.76 4.04 3.41 -1.10 -5.06 113.62 110.02 1n7p n SER 215 Ca 0.18 -0.28 -0.38 0.00 -0.26 0.00 0.00 58.87 58.13 1n7p n SER 215 Cb 0.25 0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1n7p n SER 215 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1n7p s ILE 216 N -0.19 2.48 0.17 -1.33 2.07 -0.46 -4.54 121.20 119.40 1n7p s ILE 216 Ca 0.00 0.36 -0.15 0.00 -1.41 0.00 0.00 60.65 59.44 1n7p s ILE 216 Cb 0.00 -3.18 -0.07 0.00 0.13 0.00 0.00 42.46 39.34 1n7p s ILE 216 CO 0.00 -0.01 0.59 -0.44 -1.91 0.00 0.00 174.94 173.17 1n7p s SER 217 N -1.14 6.88 0.37 4.50 0.01 -0.05 -5.02 113.70 119.25 1n7p s SER 217 Ca 0.69 1.16 0.07 0.00 1.31 0.00 0.00 55.95 59.18 1n7p s SER 217 Cb -0.35 -2.32 -0.07 0.00 0.21 0.00 0.00 66.02 63.48 1n7p s SER 217 CO 0.42 0.08 -0.01 -0.44 0.41 0.00 0.00 173.24 173.70 1n7p s SER 218 N -1.71 3.52 0.39 2.44 0.01 -1.26 -4.99 113.70 112.10 1n7p s SER 218 Ca 0.39 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1n7p s SER 218 Cb -0.15 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1n7p s SER 218 CO 0.20 -0.41 0.00 0.00 0.41 0.00 0.00 173.24 173.44 1n7p n GLN 219 N -0.85 -3.71 -3.33 12.44 1.13 -1.26 -4.85 117.38 116.94 1n7p n GLN 219 Ca -0.05 2.75 -0.11 0.00 -1.94 0.00 0.00 57.00 57.65 1n7p n GLN 219 Cb 0.66 -3.21 0.01 0.00 0.11 0.00 0.00 30.24 27.81 1n7p n GLN 219 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n7p n ALA 220 N -0.58 -2.59 -1.03 -1.58 0.00 -1.26 -4.09 120.51 109.38 1n7p n ALA 220 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1n7p n ALA 220 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.53 1n7p n ALA 220 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n7p n ASP 221 N -2.20 0.00 -2.59 0.00 9.92 -1.26 -4.77 116.55 115.65 1n7p n ASP 221 Ca -0.10 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.09 1n7p n ASP 221 Cb 0.57 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.05 1n7p n ASP 221 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1n7p n ARG 222 N -0.28 0.00 0.00 -1.24 -4.01 -1.26 -4.90 116.66 104.97 1n7p n ARG 222 Ca 0.00 0.00 0.14 0.00 -1.04 0.00 0.00 57.85 56.95 1n7p n ARG 222 Cb 0.00 -0.68 0.48 0.00 -3.04 0.00 0.00 32.46 29.22 1n7p n ARG 222 CO 0.00 0.00 0.00 0.44 -3.04 0.00 0.00 177.63 175.03 1n7p n ILE 223 N -2.13 0.00 -3.64 8.89 -5.35 -1.26 -4.94 119.36 110.93 1n7p n ILE 223 Ca -0.00 -0.17 -0.06 0.00 -0.27 0.00 0.00 62.75 62.25 1n7p n ILE 223 Cb 0.14 0.36 -0.07 0.00 -1.74 0.00 0.00 39.64 38.33 1n7p n ILE 223 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 1n7p s TYR 224 N -2.28 -0.70 -0.00 4.28 -0.00 -1.26 -4.97 117.35 112.41 1n7p s TYR 224 Ca 0.31 1.47 -0.25 0.00 -0.00 0.00 0.00 57.07 58.60 1n7p s TYR 224 Cb 0.20 0.42 -0.17 0.00 -0.00 0.00 0.00 41.96 42.41 1n7p s TYR 224 CO 0.44 -0.34 1.23 -0.07 -0.00 0.00 0.00 175.55 176.81 1n7p h LEU 225 N 5.84 -0.20 -8.56 -3.49 3.38 -1.92 -3.41 115.31 106.95 1n7p h LEU 225 Ca -0.29 -0.28 -0.68 0.00 0.09 0.00 0.00 57.88 56.72 1n7p h LEU 225 Cb 1.20 0.05 -0.30 0.00 0.09 0.00 0.00 40.66 41.70 1n7p h LEU 225 CO 0.16 0.20 -0.84 0.26 0.09 0.00 0.00 178.44 178.30 1n7p s TRP 226 N -4.49 2.56 0.20 1.13 0.51 -1.26 -0.87 118.94 116.73 1n7p s TRP 226 Ca -0.14 -0.66 -0.10 0.00 -2.12 0.00 0.00 56.10 53.07 1n7p s TRP 226 Cb 0.02 -1.66 0.14 0.00 -0.81 0.00 0.00 33.47 31.16 1n7p s TRP 226 CO 0.58 -0.18 1.81 1.49 -0.51 0.00 0.00 176.95 180.15 1n7p h GLU 227 N 6.15 1.03 0.00 4.98 4.22 -1.83 -2.63 114.58 126.50 1n7p h GLU 227 Ca -0.31 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.00 1n7p h GLU 227 Cb 1.19 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1n7p h GLU 227 CO 0.49 0.78 0.00 1.63 -2.18 0.00 0.00 179.01 179.73 1n7p n LYS 228 N -4.45 0.17 -2.57 1.92 5.02 -1.26 -3.29 118.16 113.70 1n7p n LYS 228 Ca 0.06 0.41 -0.17 0.00 -2.02 0.00 0.00 58.31 56.60 1n7p n LYS 228 Cb 0.10 -1.83 0.02 0.00 -0.02 0.00 0.00 35.03 33.30 1n7p n LYS 228 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1n7p n PHE 229 N -2.15 2.16 -0.09 2.13 3.72 -1.01 -4.88 117.46 117.33 1n7p n PHE 229 Ca 0.02 -2.87 -0.09 0.00 -0.05 0.00 0.00 57.45 54.46 1n7p n PHE 229 Cb 0.22 -0.25 -0.15 0.00 -0.94 0.00 0.00 39.48 38.36 1n7p n PHE 229 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1n7p n SER 230 N -0.29 0.18 -4.55 4.37 3.41 -1.11 -4.70 113.62 110.93 1n7p n SER 230 Ca 0.23 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.50 1n7p n SER 230 Cb 0.76 1.02 -0.04 0.00 -0.26 0.00 0.00 64.21 65.69 1n7p n SER 230 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1n7p s ASN 231 N -5.37 5.19 0.00 4.04 2.47 -1.26 -4.84 114.94 115.17 1n7p s ASN 231 Ca -0.10 -0.05 0.29 0.00 0.42 0.00 0.00 52.86 53.43 1n7p s ASN 231 Cb 0.06 -2.54 1.59 0.00 -1.45 0.00 0.00 41.25 38.91 1n7p s ASN 231 CO 0.80 -2.54 2.03 0.00 -3.72 0.00 0.00 177.10 173.67 1n7p n TYR 232 N 13.33 0.00 0.20 0.43 4.11 -1.26 -2.14 117.16 131.83 1n7p n TYR 232 Ca 0.28 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.28 1n7p n TYR 232 Cb 0.50 -0.14 0.27 0.00 -0.00 0.00 0.00 39.34 39.97 1n7p n TYR 232 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 1n7p h LYS 233 N 0.00 0.00 -6.36 -3.48 1.57 -1.90 -3.41 116.57 102.98 1n7p h LYS 233 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1n7p h LYS 233 Cb 0.13 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 1n7p h LYS 233 CO 0.00 0.21 0.74 0.99 -0.57 0.00 0.00 179.45 180.83 1n7p s THR 234 N -3.31 4.40 0.39 -0.16 2.01 -0.91 -4.29 115.64 113.77 1n7p s THR 234 Ca 0.04 1.13 0.23 0.00 0.31 0.00 0.00 61.69 63.40 1n7p s THR 234 Cb 0.08 -4.47 0.25 0.00 0.01 0.00 0.00 72.50 68.36 1n7p s THR 234 CO 0.67 -0.80 2.01 0.77 -0.69 0.00 0.00 174.62 176.58 1n7p h SER 235 N 8.90 0.00 0.10 3.53 4.64 -1.80 -2.38 113.55 126.53 1n7p h SER 235 Ca -0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1n7p h SER 235 Cb 1.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1n7p h SER 235 CO 1.06 0.17 -0.06 0.00 -0.87 0.00 0.00 176.83 177.13 1n7p h ALA 236 N 1.83 1.63 0.00 5.18 0.00 -1.92 -2.40 119.26 123.58 1n7p h ALA 236 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1n7p h ALA 236 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1n7p h ALA 236 CO 0.02 0.07 -0.44 -0.91 0.00 0.00 0.00 179.25 177.99 1n7p h ASN 237 N 0.00 0.00 0.41 0.00 -0.26 -1.72 -1.96 115.58 112.05 1n7p h ASN 237 Ca -0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1n7p h ASN 237 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1n7p h ASN 237 CO 0.01 0.44 -0.20 -0.07 -1.06 0.00 0.00 177.43 176.55 1n7p h LEU 238 N 0.00 -0.46 -0.47 1.61 -0.00 -1.55 -2.86 115.31 111.57 1n7p h LEU 238 Ca -0.00 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.88 57.73 1n7p h LEU 238 Cb 0.85 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.62 1n7p h LEU 238 CO 0.06 -0.19 -0.31 0.71 -0.00 0.00 0.00 178.44 178.71 1n7p h THR 239 N -0.73 0.60 -0.45 0.22 1.35 -1.58 -2.15 112.91 110.17 1n7p h THR 239 Ca -0.06 -1.57 -0.09 0.00 -0.55 0.00 0.00 66.41 64.14 1n7p h THR 239 Cb 0.51 2.08 -0.02 0.00 -1.73 0.00 0.00 68.15 69.00 1n7p h THR 239 CO 0.09 0.30 -0.09 0.00 -0.25 0.00 0.00 175.52 175.57 1n7p h ALA 240 N 1.69 0.98 0.14 6.62 0.00 -1.44 -1.33 119.26 125.93 1n7p h ALA 240 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1n7p h ALA 240 Cb 1.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1n7p h ALA 240 CO 0.04 0.61 -0.07 1.15 0.00 0.00 0.00 179.25 180.98 1n7p h THR 241 N 0.73 0.96 0.00 0.00 2.02 -1.18 -2.83 112.91 112.61 1n7p h THR 241 Ca 0.13 -0.44 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 1n7p h THR 241 Cb 0.58 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1n7p h THR 241 CO 0.04 0.11 -0.42 1.88 0.37 0.00 0.00 175.52 177.49 1n7p h TYR 242 N -0.40 0.00 -0.03 3.16 0.05 -1.39 -2.62 116.97 115.74 1n7p h TYR 242 Ca -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 1n7p h TYR 242 Cb 0.32 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1n7p h TYR 242 CO -0.00 0.42 -0.28 0.00 -1.05 0.00 0.00 178.16 177.24 1n7p h ARG 243 N 0.00 0.05 -0.20 4.88 3.08 -1.21 -2.10 114.38 118.88 1n7p h ARG 243 Ca -0.00 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1n7p h ARG 243 Cb 0.76 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1n7p h ARG 243 CO 0.05 0.33 -0.26 0.87 -1.07 0.00 0.00 179.97 179.90 1n7p h LYS 244 N 0.04 0.37 -0.14 0.04 1.57 -1.21 -2.18 116.57 115.07 1n7p h LYS 244 Ca 0.00 -0.13 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 1n7p h LYS 244 Cb 0.52 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1n7p h LYS 244 CO 0.04 0.61 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.81 1n7p h LEU 245 N 0.33 0.58 -0.70 2.94 3.38 -1.40 -2.77 115.31 117.67 1n7p h LEU 245 Ca 0.05 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1n7p h LEU 245 Cb 0.63 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1n7p h LEU 245 CO 0.05 1.08 0.30 -0.08 0.09 0.00 0.00 178.44 179.87 1n7p h GLU 246 N 0.37 1.03 -0.74 1.13 4.81 -1.17 -1.19 114.58 118.82 1n7p h GLU 246 Ca -0.01 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1n7p h GLU 246 Cb 1.21 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 1n7p h GLU 246 CO 0.12 0.84 0.48 0.93 -0.73 0.00 0.00 179.01 180.65 1n7p h GLU 247 N 0.99 0.93 -0.81 1.92 5.08 -1.38 -1.44 114.58 119.87 1n7p h GLU 247 Ca 0.24 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1n7p h GLU 247 Cb 0.18 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1n7p h GLU 247 CO -0.02 0.62 0.54 0.52 -1.00 0.00 0.00 179.01 179.66 1n7p h MET 248 N 0.96 1.07 -0.35 2.33 2.86 -1.16 -2.72 114.93 117.92 1n7p h MET 248 Ca 0.29 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.78 1n7p h MET 248 Cb -0.04 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.36 1n7p h MET 248 CO -0.09 0.71 -0.12 0.00 1.06 0.00 0.00 176.91 178.48 1n7p h ALA 249 N 1.30 1.14 -0.64 6.32 0.00 -0.69 0.66 119.26 127.35 1n7p h ALA 249 Ca 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1n7p h ALA 249 Cb -0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1n7p h ALA 249 CO -0.06 0.54 0.37 0.87 0.00 0.00 0.00 179.25 180.97 1n7p h LYS 250 N 0.56 0.87 0.08 0.00 1.57 -0.99 -3.07 116.57 115.60 1n7p h LYS 250 Ca 0.10 -0.09 -0.29 0.00 -1.87 0.00 0.00 60.65 58.51 1n7p h LYS 250 Cb 0.53 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1n7p h LYS 250 CO 0.03 0.63 -1.48 1.96 -0.57 0.00 0.00 179.45 180.02 1n7p h GLN 251 N 0.86 0.18 0.00 3.15 1.08 -1.18 -2.91 115.11 116.29 1n7p h GLN 251 Ca 0.23 -0.30 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1n7p h GLN 251 Cb -0.01 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1n7p h GLN 251 CO -0.04 1.01 -0.02 -0.24 -0.95 0.00 0.00 178.83 178.60 1n7p h VAL 252 N 0.05 0.11 -0.41 -0.54 3.04 -0.91 -1.97 116.25 115.62 1n7p h VAL 252 Ca -0.22 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1n7p h VAL 252 Cb 1.98 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 32.47 1n7p h VAL 252 CO 0.14 0.02 0.00 0.35 -1.01 0.00 0.00 177.57 177.07 1n7p n THR 253 N -3.20 0.96 -3.33 3.17 -2.24 -1.16 -1.39 114.28 107.08 1n7p n THR 253 Ca -0.02 -0.98 -0.44 0.00 -2.27 0.00 0.00 64.05 60.35 1n7p n THR 253 Cb 0.17 0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 68.85 1n7p n THR 253 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1n7p s ASN 254 N -1.01 6.17 0.63 3.42 3.04 -0.74 -4.92 114.94 121.54 1n7p s ASN 254 Ca 0.28 -0.94 0.28 0.00 0.04 0.00 0.00 52.86 52.52 1n7p s ASN 254 Cb 0.15 -2.21 1.51 0.00 -1.54 0.00 0.00 41.25 39.15 1n7p s ASN 254 CO 0.19 -0.63 1.89 -0.65 -3.04 0.00 0.00 177.10 174.85 1n7p h PRO 255 N 8.77 0.00 -0.01 0.43 0.11 -1.90 -1.01 132.00 138.40 1n7p h PRO 255 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1n7p h PRO 255 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1n7p h PRO 255 CO 0.84 0.00 -0.54 0.43 -0.21 0.00 0.00 178.00 178.52 1n7p n SER 256 N -3.31 1.25 -4.78 -2.05 7.64 -1.26 -4.86 113.62 106.24 1n7p n SER 256 Ca 0.03 -1.00 -0.36 0.00 1.01 0.00 0.00 58.87 58.55 1n7p n SER 256 Cb 0.54 0.46 -0.04 0.00 -1.01 0.00 0.00 64.21 64.16 1n7p n SER 256 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1n7p s SER 257 N -2.70 6.64 0.60 6.43 0.15 -0.38 -4.92 113.70 119.51 1n7p s SER 257 Ca 0.16 2.07 0.37 0.00 0.70 0.00 0.00 55.95 59.25 1n7p s SER 257 Cb 0.18 -2.59 1.86 0.00 -1.71 0.00 0.00 66.02 63.76 1n7p s SER 257 CO 0.65 -0.58 2.18 0.08 1.20 0.00 0.00 173.24 176.76 1n7p h ARG 258 N 2.35 0.00 -0.19 5.44 0.11 -1.90 -2.18 114.38 118.01 1n7p h ARG 258 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 1n7p h ARG 258 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1n7p h ARG 258 CO 0.62 0.02 0.00 0.66 0.10 0.00 0.00 179.97 181.37 1n7p n TYR 259 N -3.19 0.24 -1.66 4.08 4.01 -1.26 -4.87 117.16 114.50 1n7p n TYR 259 Ca -0.01 -0.12 -0.48 0.00 -0.16 0.00 0.00 57.90 57.12 1n7p n TYR 259 Cb 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.17 1n7p n TYR 259 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1n7p n TYR 260 N 0.36 2.17 -1.79 -0.72 9.36 -0.82 -1.65 117.16 124.07 1n7p n TYR 260 Ca 0.16 0.25 -0.15 0.00 3.32 0.00 0.00 57.90 61.48 1n7p n TYR 260 Cb 0.33 -2.55 -0.04 0.00 -0.63 0.00 0.00 39.34 36.45 1n7p n TYR 260 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1n7p n GLN 261 N 4.40 -1.58 -2.31 2.98 6.02 -0.49 -4.89 117.38 121.50 1n7p n GLN 261 Ca 0.19 0.84 -0.42 0.00 -0.01 0.00 0.00 57.00 57.60 1n7p n GLN 261 Cb 0.27 -5.24 -0.03 0.00 1.02 0.00 0.00 30.24 26.26 1n7p n GLN 261 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1n7p s ASP 262 N -2.20 6.94 0.22 1.08 -1.08 -0.66 -4.90 116.67 116.07 1n7p s ASP 262 Ca 0.00 2.05 -0.08 0.00 -0.52 0.00 0.00 52.55 54.00 1n7p s ASP 262 Cb 0.00 -2.57 0.31 0.00 -1.46 0.00 0.00 42.92 39.21 1n7p s ASP 262 CO 0.00 -0.62 1.76 1.05 0.52 0.00 0.00 175.17 177.88 1n7p h GLU 263 N 7.39 0.49 -0.44 4.34 -0.00 -1.91 -1.65 114.58 122.81 1n7p h GLU 263 Ca -0.38 -0.03 -0.10 0.00 -0.00 0.00 0.00 59.36 58.85 1n7p h GLU 263 Cb 1.19 -0.11 -0.01 0.00 -0.00 0.00 0.00 28.75 29.81 1n7p h GLU 263 CO 0.87 0.33 -0.11 1.15 -0.00 0.00 0.00 179.01 181.25 1n7p h THR 264 N 0.51 1.27 -0.36 -1.06 2.02 -1.98 -2.19 112.91 111.13 1n7p h THR 264 Ca 0.33 -1.22 -0.12 0.00 0.77 0.00 0.00 66.41 66.17 1n7p h THR 264 Cb 0.38 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1n7p h THR 264 CO -0.29 0.42 -0.24 0.58 0.37 0.00 0.00 175.52 176.36 1n7p h VAL 265 N 0.68 1.29 0.02 3.16 2.07 -1.74 0.52 116.25 122.25 1n7p h VAL 265 Ca 0.11 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1n7p h VAL 265 Cb 0.65 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1n7p h VAL 265 CO 0.04 0.46 -0.04 0.58 0.02 0.00 0.00 177.57 178.63 1n7p h VAL 266 N 0.58 0.91 -0.61 2.57 2.07 -1.32 -1.25 116.25 119.19 1n7p h VAL 266 Ca 0.07 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 1n7p h VAL 266 Cb 0.80 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1n7p h VAL 266 CO 0.07 0.00 0.08 -0.09 0.02 0.00 0.00 177.57 177.65 1n7p h ARG 267 N -0.08 1.00 -0.46 1.57 2.43 -1.35 -1.88 114.38 115.61 1n7p h ARG 267 Ca 0.01 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1n7p h ARG 267 Cb 0.08 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1n7p h ARG 267 CO -0.03 0.93 0.29 1.15 -1.51 0.00 0.00 179.97 180.80 1n7p h THR 268 N 0.93 1.09 -0.16 0.20 2.02 -0.64 0.14 112.91 116.48 1n7p h THR 268 Ca 0.19 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1n7p h THR 268 Cb 0.43 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1n7p h THR 268 CO 0.01 0.11 -0.05 0.58 0.37 0.00 0.00 175.52 176.54 1n7p h VAL 269 N 0.59 1.29 -0.22 3.16 2.07 -1.10 0.38 116.25 122.42 1n7p h VAL 269 Ca 0.18 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1n7p h VAL 269 Cb -0.03 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1n7p h VAL 269 CO -0.06 0.30 0.03 0.03 0.02 0.00 0.00 177.57 177.89 1n7p h ARG 270 N 0.01 0.10 -0.00 1.57 3.08 -1.23 -2.09 114.38 115.83 1n7p h ARG 270 Ca 0.04 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 1n7p h ARG 270 Cb 0.49 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 1n7p h ARG 270 CO 0.02 0.07 -0.78 -0.44 -1.07 0.00 0.00 179.97 177.77 1n7p h ASP 271 N 0.11 0.07 -0.01 7.04 3.45 -0.74 -3.03 116.42 123.30 1n7p h ASP 271 Ca 0.10 -0.05 -0.17 0.00 0.43 0.00 0.00 57.03 57.34 1n7p h ASP 271 Cb 0.11 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.85 1n7p h ASP 271 CO -0.15 0.82 -0.57 0.28 -1.57 0.00 0.00 179.24 178.05 1n7p h SER 272 N 0.03 0.68 -0.63 6.45 0.02 -0.80 -0.95 113.55 118.36 1n7p h SER 272 Ca -0.01 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1n7p h SER 272 Cb 1.37 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 1n7p h SER 272 CO 0.11 1.11 0.24 0.24 -1.14 0.00 0.00 176.83 177.38 1n7p h MET 273 N 0.46 0.95 -0.53 3.45 2.86 -1.41 -2.03 114.93 118.68 1n7p h MET 273 Ca 0.00 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1n7p h MET 273 Cb 1.13 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1n7p h MET 273 CO 0.11 0.82 0.26 1.49 1.06 0.00 0.00 176.91 180.65 1n7p h GLU 274 N 0.89 0.76 0.15 1.72 4.57 -1.36 -0.88 114.58 120.43 1n7p h GLU 274 Ca 0.21 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1n7p h GLU 274 Cb 0.23 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1n7p h GLU 274 CO -0.01 0.62 -0.07 2.35 -1.18 0.00 0.00 179.01 180.71 1n7p h TRP 275 N 0.71 -0.19 -0.65 0.92 7.01 -0.92 -2.07 115.95 120.76 1n7p h TRP 275 Ca 0.18 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.23 1n7p h TRP 275 Cb 0.10 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 1n7p h TRP 275 CO -0.01 0.11 0.43 0.52 -2.79 0.00 0.00 178.44 176.71 1n7p h MET 276 N -0.50 0.67 -0.06 2.65 2.86 -1.43 -2.09 114.93 117.02 1n7p h MET 276 Ca -0.02 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1n7p h MET 276 Cb 0.39 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1n7p h MET 276 CO 0.03 0.44 -0.27 1.25 1.06 0.00 0.00 176.91 179.43 1n7p h HIS 277 N 0.69 0.12 0.02 -0.22 -0.00 -0.87 -0.16 115.15 114.73 1n7p h HIS 277 Ca 0.28 -0.02 -0.32 0.00 -0.00 0.00 0.00 60.37 60.30 1n7p h HIS 277 Cb 0.21 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 1n7p h HIS 277 CO -0.00 0.38 -1.90 1.63 -0.00 0.00 0.00 177.93 178.04 1n7p n LYS 278 N -4.18 0.66 -0.00 5.26 5.02 -0.80 -4.45 118.16 119.67 1n7p n LYS 278 Ca -0.02 0.24 0.05 0.00 -2.02 0.00 0.00 58.31 56.56 1n7p n LYS 278 Cb 0.35 -1.72 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 1n7p n LYS 278 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1n7p n HIS 279 N -3.08 0.00 0.07 2.13 8.25 -0.83 -4.94 115.22 116.83 1n7p n HIS 279 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1n7p n HIS 279 Cb 1.07 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 32.03 1n7p n HIS 279 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1n7p n VAL 280 N -1.62 0.65 -3.83 1.59 0.31 -0.61 -5.05 118.33 109.77 1n7p n VAL 280 Ca -0.00 0.22 -0.30 0.00 -0.01 0.00 0.00 64.34 64.24 1n7p n VAL 280 Cb 0.23 -1.19 -0.15 0.00 -0.91 0.00 0.00 33.84 31.82 1n7p n VAL 280 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1n7p s TYR 281 N -2.00 2.19 0.26 3.52 5.04 -0.17 -4.97 117.35 121.21 1n7p s TYR 281 Ca 0.00 -1.90 -0.16 0.00 -2.44 0.00 0.00 57.07 52.57 1n7p s TYR 281 Cb 0.00 -1.85 0.00 0.00 0.35 0.00 0.00 41.96 40.46 1n7p s TYR 281 CO 0.00 -0.84 0.57 0.54 -1.34 0.00 0.00 175.55 174.48 1n7p s ASN 282 N 1.46 -0.16 0.43 4.32 6.03 -1.26 -4.35 114.94 121.42 1n7p s ASN 282 Ca 0.06 -0.81 0.19 0.00 -1.03 0.00 0.00 52.86 51.27 1n7p s ASN 282 Cb -0.18 0.64 1.14 0.00 -3.03 0.00 0.00 41.25 39.82 1n7p s ASN 282 CO -0.16 -1.22 1.86 0.28 -2.03 0.00 0.00 177.10 175.83 1n7p h SER 283 N 2.16 0.35 0.25 3.54 0.02 -1.89 -0.33 113.55 117.65 1n7p h SER 283 Ca -0.23 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1n7p h SER 283 Cb 1.25 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1n7p h SER 283 CO 0.31 0.14 0.00 -0.62 -1.14 0.00 0.00 176.83 175.52 1n7p n GLU 284 N -4.48 0.23 -3.07 3.45 1.02 -1.26 -4.85 120.64 111.69 1n7p n GLU 284 Ca 0.19 0.13 -0.22 0.00 -0.02 0.00 0.00 57.16 57.24 1n7p n GLU 284 Cb 0.72 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.65 1n7p n GLU 284 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1n7p s LYS 285 N -2.51 3.09 0.19 3.49 -0.14 -0.14 -5.12 119.74 118.60 1n7p s LYS 285 Ca 0.15 -0.55 0.11 0.00 -1.36 0.00 0.00 55.97 54.32 1n7p s LYS 285 Cb 0.10 -2.60 -0.04 0.00 -1.68 0.00 0.00 37.83 33.61 1n7p s LYS 285 CO 0.22 -0.20 -0.23 -1.12 -0.76 0.00 0.00 175.35 173.26 1n7p s SER 286 N -4.20 3.29 0.08 2.83 0.01 -1.26 -4.99 113.70 109.46 1n7p s SER 286 Ca 0.47 -0.87 -0.33 0.00 1.31 0.00 0.00 55.95 56.53 1n7p s SER 286 Cb -0.10 -0.24 -0.12 0.00 0.21 0.00 0.00 66.02 65.78 1n7p s SER 286 CO 0.37 0.09 1.78 -0.38 0.41 0.00 0.00 173.24 175.50 1n7p n ILE 287 N 0.23 0.32 -3.95 1.44 5.41 -1.26 -4.97 119.36 116.58 1n7p n ILE 287 Ca -0.12 -0.06 -0.30 0.00 1.00 0.00 0.00 62.75 63.27 1n7p n ILE 287 Cb 0.56 -1.90 -0.16 0.00 -0.71 0.00 0.00 39.64 37.43 1n7p n ILE 287 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1n7p s VAL 288 N 2.55 1.45 0.00 1.39 1.01 -1.26 -5.02 120.40 120.52 1n7p s VAL 288 Ca 0.84 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1n7p s VAL 288 Cb -0.59 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1n7p s VAL 288 CO 0.41 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1n7p n GLY 289 N 4.75 0.82 3.65 4.51 0.00 -1.26 -4.02 105.19 113.63 1n7p n GLY 289 Ca -0.13 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 1n7p n GLY 289 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n7p s ASN 290 N -4.00 6.75 0.46 1.61 3.04 -1.26 -4.96 114.94 116.58 1n7p s ASN 290 Ca 0.00 0.92 0.15 0.00 0.04 0.00 0.00 52.86 53.97 1n7p s ASN 290 Cb 0.00 -2.39 1.11 0.00 -1.54 0.00 0.00 41.25 38.42 1n7p s ASN 290 CO 0.00 -0.41 2.03 4.11 -3.04 0.00 0.00 177.10 179.79 1n7p h TRP 291 N 7.64 0.29 -0.01 0.43 5.08 -1.97 -2.55 115.95 124.87 1n7p h TRP 291 Ca -0.27 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.68 1n7p h TRP 291 Cb 1.12 -0.10 -0.00 0.00 -3.00 0.00 0.00 29.16 27.18 1n7p h TRP 291 CO 0.74 0.15 -0.14 0.00 -1.28 0.00 0.00 178.44 177.92 1n7p h ALA 292 N 1.77 1.76 -0.11 0.11 0.00 -1.97 -1.45 119.26 119.36 1n7p h ALA 292 Ca 0.20 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1n7p h ALA 292 Cb 0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1n7p h ALA 292 CO -0.04 0.18 -0.73 -0.44 0.00 0.00 0.00 179.25 178.22 1n7p h ASP 293 N 0.01 0.64 0.90 0.00 3.45 -1.78 0.10 116.42 119.74 1n7p h ASP 293 Ca 0.00 -0.41 -0.10 0.00 0.43 0.00 0.00 57.03 56.95 1n7p h ASP 293 Cb 0.25 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 1n7p h ASP 293 CO 0.02 1.17 -0.49 1.88 -1.57 0.00 0.00 179.24 180.24 1n7p h TYR 294 N 0.37 0.00 0.00 4.55 -1.99 -1.46 -1.29 116.97 117.15 1n7p h TYR 294 Ca -0.03 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.65 1n7p h TYR 294 Cb 1.32 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.04 1n7p h TYR 294 CO 0.06 0.49 -1.32 0.39 -0.00 0.00 0.00 178.16 177.78 1n7p n GLU 295 N -3.53 1.42 0.00 4.88 1.02 -0.61 -4.60 120.64 119.23 1n7p n GLU 295 Ca -0.00 -0.03 -0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1n7p n GLU 295 Cb 0.60 -1.14 -0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1n7p n GLU 295 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1n7p n ILE 296 N -1.92 0.07 0.02 -3.67 5.41 0.21 -4.71 119.36 114.76 1n7p n ILE 296 Ca -0.04 0.03 -0.10 0.00 1.00 0.00 0.00 62.75 63.63 1n7p n ILE 296 Cb 0.38 -1.04 -0.04 0.00 -0.71 0.00 0.00 39.64 38.24 1n7p n ILE 296 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1n7p h GLY 297 N -0.00 -0.28 0.60 7.39 0.00 -1.28 -0.96 103.07 108.53 1n7p h GLY 297 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1n7p h GLY 297 CO 0.00 -0.20 -0.06 -0.84 0.00 0.00 0.00 176.54 175.44 1n7p h THR 298 N -0.32 1.38 -0.54 4.70 2.02 -1.47 -2.86 112.91 115.82 1n7p h THR 298 Ca 0.09 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 66.07 1n7p h THR 298 Cb 0.45 2.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 1n7p h THR 298 CO -0.28 0.34 0.36 -0.65 0.37 0.00 0.00 175.52 175.66 1n7p h PRO 299 N -0.31 0.60 -0.60 6.66 0.11 -1.75 -0.95 132.00 135.75 1n7p h PRO 299 Ca 0.01 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 1n7p h PRO 299 Cb 0.57 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1n7p h PRO 299 CO 0.01 0.39 0.12 0.00 -0.21 0.00 0.00 178.00 178.32 1n7p h ARG 300 N 0.61 0.99 -0.39 1.05 3.08 -1.14 -1.18 114.38 117.40 1n7p h ARG 300 Ca 0.22 -0.25 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1n7p h ARG 300 Cb 0.10 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1n7p h ARG 300 CO -0.06 0.92 -0.35 0.00 -1.07 0.00 0.00 179.97 179.41 1n7p h ALA 301 N 1.03 0.63 -0.27 0.04 0.00 -1.18 -1.69 119.26 117.81 1n7p h ALA 301 Ca 0.19 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1n7p h ALA 301 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1n7p h ALA 301 CO 0.01 0.68 0.15 0.82 0.00 0.00 0.00 179.25 180.90 1n7p h ILE 302 N 0.76 1.12 -0.58 0.00 2.04 -1.16 -2.56 117.51 117.13 1n7p h ILE 302 Ca 0.07 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1n7p h ILE 302 Cb 0.94 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1n7p h ILE 302 CO 0.09 0.12 0.38 0.78 0.00 0.00 0.00 178.15 179.51 1n7p h ASN 303 N 0.32 0.65 -0.05 1.72 2.35 -1.05 -2.50 115.58 117.02 1n7p h ASN 303 Ca 0.09 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.65 1n7p h ASN 303 Cb 0.05 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 1n7p h ASN 303 CO -0.02 0.46 -0.63 0.78 -1.65 0.00 0.00 177.43 176.38 1n7p h ASN 304 N 0.77 0.75 0.10 5.81 2.35 -1.30 -1.45 115.58 122.61 1n7p h ASN 304 Ca 0.21 -0.43 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 1n7p h ASN 304 Cb -0.07 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1n7p h ASN 304 CO -0.05 1.19 -0.23 0.74 -1.65 0.00 0.00 177.43 177.43 1n7p h THR 305 N 0.49 0.48 -0.51 2.81 2.02 -1.38 -0.70 112.91 116.13 1n7p h THR 305 Ca -0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1n7p h THR 305 Cb 1.21 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1n7p h THR 305 CO 0.12 0.00 0.07 -0.07 0.37 0.00 0.00 175.52 176.01 1n7p h LEU 306 N -0.42 0.76 -0.18 2.58 3.38 -1.39 -1.41 115.31 118.63 1n7p h LEU 306 Ca 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1n7p h LEU 306 Cb 0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1n7p h LEU 306 CO -0.14 0.78 0.08 -1.28 0.09 0.00 0.00 178.44 177.97 1n7p h SER 307 N 0.76 0.24 -0.40 -0.43 0.87 -1.04 -0.86 113.55 112.69 1n7p h SER 307 Ca 0.16 -0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 1n7p h SER 307 Cb 0.36 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1n7p h SER 307 CO 0.01 0.32 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.47 1n7p h LEU 308 N 0.14 0.84 -3.62 2.23 3.38 -0.92 -3.14 115.31 114.22 1n7p h LEU 308 Ca 0.06 -0.25 -0.33 0.00 0.09 0.00 0.00 57.88 57.45 1n7p h LEU 308 Cb 0.15 -0.23 -0.19 0.00 0.09 0.00 0.00 40.66 40.48 1n7p h LEU 308 CO -0.01 0.95 0.19 0.23 0.09 0.00 0.00 178.44 179.90 1n7p n MET 309 N -4.16 2.05 0.28 1.13 2.81 -0.55 -4.70 117.12 113.98 1n7p n MET 309 Ca 0.02 -3.16 0.15 0.00 -1.81 0.00 0.00 57.70 52.90 1n7p n MET 309 Cb 0.37 -1.97 0.82 0.00 -0.71 0.00 0.00 33.22 31.72 1n7p n MET 309 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1n7p h LYS 310 N 1.06 0.00 0.00 0.03 2.10 -1.11 -0.83 116.57 117.83 1n7p h LYS 310 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 1n7p h LYS 310 Cb 2.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.40 1n7p h LYS 310 CO 0.70 0.07 0.00 0.39 -2.00 0.00 0.00 179.45 178.61 1n7p n GLU 311 N -3.50 0.66 0.00 0.07 1.02 -1.26 -3.17 120.64 114.46 1n7p n GLU 311 Ca -0.02 0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1n7p n GLU 311 Cb 0.20 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.13 1n7p n GLU 311 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1n7p n TYR 312 N -1.09 0.00 -4.36 -0.32 4.01 -0.32 -5.03 117.16 110.05 1n7p n TYR 312 Ca 0.17 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.65 1n7p n TYR 312 Cb 0.12 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.03 1n7p n TYR 312 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1n7p s PHE 313 N -0.23 2.09 0.48 -0.72 0.08 -1.19 -5.04 117.98 113.45 1n7p s PHE 313 Ca 0.03 -0.40 -0.07 0.00 0.12 0.00 0.00 56.93 56.61 1n7p s PHE 313 Cb 0.02 -1.10 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1n7p s PHE 313 CO 0.03 0.33 0.81 -1.54 -0.10 0.00 0.00 175.22 174.76 1n7p s SER 314 N -2.22 6.32 0.37 1.36 1.04 -1.26 -4.92 113.70 114.38 1n7p s SER 314 Ca 0.13 1.04 0.10 0.00 0.48 0.00 0.00 55.95 57.70 1n7p s SER 314 Cb -0.09 -2.29 0.87 0.00 0.10 0.00 0.00 66.02 64.61 1n7p s SER 314 CO 0.06 -0.57 1.87 0.44 0.98 0.00 0.00 173.24 176.02 1n7p h ASP 315 N 0.39 0.60 0.03 7.02 3.32 -1.96 -1.71 116.42 124.12 1n7p h ASP 315 Ca -0.47 0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.46 1n7p h ASP 315 Cb 1.20 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1n7p h ASP 315 CO 0.62 0.30 -0.57 -0.33 -1.72 0.00 0.00 179.24 177.54 1n7p h GLU 316 N 0.63 0.55 -0.12 3.56 3.07 -1.98 -0.46 114.58 119.84 1n7p h GLU 316 Ca 0.44 -0.36 -0.12 0.00 -0.50 0.00 0.00 59.36 58.82 1n7p h GLU 316 Cb 0.78 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1n7p h GLU 316 CO -0.20 0.97 -0.47 0.93 -1.40 0.00 0.00 179.01 178.85 1n7p h GLU 317 N 0.42 0.29 -0.22 2.33 5.08 -1.86 -1.80 114.58 118.82 1n7p h GLU 317 Ca 0.00 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.07 1n7p h GLU 317 Cb 1.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1n7p h GLU 317 CO 0.11 0.70 -0.40 0.82 -1.00 0.00 0.00 179.01 179.24 1n7p h ILE 318 N 0.24 1.32 -0.26 3.13 2.04 -0.94 -1.23 117.51 121.80 1n7p h ILE 318 Ca 0.01 -1.61 0.05 0.00 1.00 0.00 0.00 64.86 64.31 1n7p h ILE 318 Cb 0.91 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.74 1n7p h ILE 318 CO 0.07 0.51 -0.02 0.11 0.00 0.00 0.00 178.15 178.82 1n7p h LYS 319 N 0.37 0.05 -0.65 2.37 1.57 -1.13 -2.48 116.57 116.67 1n7p h LYS 319 Ca 0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1n7p h LYS 319 Cb 0.99 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 1n7p h LYS 319 CO 0.09 0.03 0.43 -0.22 -0.57 0.00 0.00 179.45 179.21 1n7p h LYS 320 N 0.05 0.87 0.00 3.15 3.64 -1.05 -1.13 116.57 122.10 1n7p h LYS 320 Ca 0.12 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1n7p h LYS 320 Cb 0.17 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1n7p h LYS 320 CO -0.23 0.58 -0.21 0.66 -2.27 0.00 0.00 179.45 177.99 1n7p n TYR 321 N -4.62 0.59 1.01 1.91 4.01 -0.49 -3.18 117.16 116.39 1n7p n TYR 321 Ca 0.05 0.17 0.11 0.00 -0.16 0.00 0.00 57.90 58.07 1n7p n TYR 321 Cb 0.02 -0.73 -0.01 0.00 -0.31 0.00 0.00 39.34 38.31 1n7p n TYR 321 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1n7p n THR 322 N -2.02 0.00 -0.36 -0.72 -2.24 -0.94 -4.48 114.28 103.52 1n7p n THR 322 Ca 0.05 -0.21 0.01 0.00 -2.27 0.00 0.00 64.05 61.64 1n7p n THR 322 Cb 0.41 1.18 0.15 0.00 -2.10 0.00 0.00 70.33 69.97 1n7p n THR 322 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1n7p h ASP 323 N 1.95 1.03 -0.02 3.42 3.45 -1.17 -1.13 116.42 123.96 1n7p h ASP 323 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1n7p h ASP 323 Cb 0.70 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.25 1n7p h ASP 323 CO 0.00 0.68 0.01 1.62 -1.57 0.00 0.00 179.24 179.98 1n7p h VAL 324 N 1.19 1.01 -0.58 -1.35 3.04 -1.78 -1.82 116.25 115.95 1n7p h VAL 324 Ca 0.41 -0.03 -0.09 0.00 -1.01 0.00 0.00 66.70 65.97 1n7p h VAL 324 Cb 0.09 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.33 1n7p h VAL 324 CO -0.15 0.01 0.00 0.40 -1.01 0.00 0.00 177.57 176.82 1n7p h ILE 325 N 0.03 1.27 0.00 3.17 2.04 -1.49 -2.39 117.51 120.13 1n7p h ILE 325 Ca 0.01 -1.13 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1n7p h ILE 325 Cb 0.01 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1n7p h ILE 325 CO -0.00 0.41 -0.31 -0.33 0.00 0.00 0.00 178.15 177.92 1n7p h GLU 326 N 0.91 0.00 -0.15 2.37 4.39 -1.13 0.68 114.58 121.65 1n7p h GLU 326 Ca 0.16 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 1n7p h GLU 326 Cb 0.55 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1n7p h GLU 326 CO 0.03 0.31 -0.38 -0.22 -1.16 0.00 0.00 179.01 177.60 1n7p h LYS 327 N 0.00 0.52 0.00 2.33 3.11 -1.21 -2.99 116.57 118.34 1n7p h LYS 327 Ca -0.00 -0.36 -0.11 0.00 -2.81 0.00 0.00 60.65 57.37 1n7p h LYS 327 Cb 0.81 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 1n7p h LYS 327 CO 0.04 0.97 -0.86 0.74 -2.81 0.00 0.00 179.45 177.54 1n7p h PHE 328 N 0.15 0.00 -2.01 1.91 0.04 -1.34 -3.41 116.94 112.28 1n7p h PHE 328 Ca -0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 1n7p h PHE 328 Cb 0.99 0.00 -0.39 0.00 2.20 0.00 0.00 35.95 38.74 1n7p h PHE 328 CO 0.10 0.44 -1.11 0.28 -0.60 0.00 0.00 178.31 177.42 1n7p n VAL 329 N -3.04 -0.34 0.21 -0.55 0.31 0.22 -4.52 118.33 110.63 1n7p n VAL 329 Ca -0.02 -4.27 0.11 0.00 -0.01 0.00 0.00 64.34 60.14 1n7p n VAL 329 Cb 0.74 -1.41 0.23 0.00 -0.91 0.00 0.00 33.84 32.49 1n7p n VAL 329 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1n7p h PRO 330 N 3.67 0.00 -4.60 5.55 0.13 -1.72 -3.42 132.00 131.61 1n7p h PRO 330 Ca 0.09 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.57 1n7p h PRO 330 Cb 0.89 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.65 1n7p h PRO 330 CO 0.49 0.13 -0.79 0.34 -0.23 0.00 0.00 178.00 177.94 1n7p s ASP 331 N -6.19 4.20 0.00 1.44 2.15 -1.26 -4.99 116.67 112.01 1n7p s ASP 331 Ca 0.05 -1.36 0.11 0.00 0.43 0.00 0.00 52.55 51.78 1n7p s ASP 331 Cb 0.07 -1.37 0.56 0.00 -0.30 0.00 0.00 42.92 41.87 1n7p s ASP 331 CO 0.67 -0.23 1.24 -0.81 -0.17 0.00 0.00 175.17 175.87 1n7p n PRO 332 N 4.53 0.16 0.00 4.34 -0.04 -1.26 -2.00 135.00 140.73 1n7p n PRO 332 Ca -0.12 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1n7p n PRO 332 Cb 0.43 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 1n7p n PRO 332 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n7p n GLU 333 N -1.28 0.02 -4.04 0.54 1.02 -1.26 -4.84 120.64 110.80 1n7p n GLU 333 Ca 0.05 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.05 1n7p n GLU 333 Cb 0.09 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 1n7p n GLU 333 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1n7p s HIS 334 N -3.02 0.30 0.40 -0.32 3.76 -0.85 -1.32 115.29 114.24 1n7p s HIS 334 Ca 0.08 -0.09 0.08 0.00 -0.15 0.00 0.00 55.06 54.98 1n7p s HIS 334 Cb 0.16 -0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.66 1n7p s HIS 334 CO 0.84 -0.01 0.53 -0.06 -0.85 0.00 0.00 174.74 175.19 1n7p s PHE 335 N -0.17 2.86 -1.68 1.40 0.08 -0.46 -4.65 117.98 115.37 1n7p s PHE 335 Ca 0.00 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 1n7p s PHE 335 Cb -0.02 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 1n7p s PHE 335 CO -0.00 -0.30 0.15 0.54 -0.10 0.00 0.00 175.22 175.51 1n7p n ARG 336 N -1.77 -2.51 0.08 0.44 1.74 -1.26 -0.99 116.66 112.39 1n7p n ARG 336 Ca 0.06 0.95 0.03 0.00 -0.77 0.00 0.00 57.85 58.13 1n7p n ARG 336 Cb 0.59 -5.67 0.43 0.00 -1.02 0.00 0.00 32.46 26.79 1n7p n ARG 336 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1n7p h LYS 337 N -0.34 0.36 -0.01 5.56 1.63 -1.83 -2.10 116.57 119.83 1n7p h LYS 337 Ca -0.49 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 1n7p h LYS 337 Cb 1.36 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1n7p h LYS 337 CO 0.57 0.33 -0.08 0.25 -3.45 0.00 0.00 179.45 177.07 1n7p n THR 338 N -4.39 0.00 -2.33 1.00 -2.24 -1.26 -4.84 114.28 100.22 1n7p n THR 338 Ca 0.01 -0.14 -0.26 0.00 -2.27 0.00 0.00 64.05 61.39 1n7p n THR 338 Cb 0.16 0.20 0.12 0.00 -2.10 0.00 0.00 70.33 68.70 1n7p n THR 338 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1n7p s THR 339 N -2.23 2.15 0.02 4.28 -4.23 -0.79 -4.99 115.64 109.85 1n7p s THR 339 Ca 0.34 -0.37 0.27 0.00 -1.18 0.00 0.00 61.69 60.75 1n7p s THR 339 Cb 0.20 -2.78 0.29 0.00 1.34 0.00 0.00 72.50 71.56 1n7p s THR 339 CO 0.41 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.76 1n7p h ASP 340 N -0.83 0.00 -2.52 3.99 3.45 -1.88 -3.40 116.42 115.23 1n7p h ASP 340 Ca -0.40 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.46 1n7p h ASP 340 Cb 1.27 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.64 1n7p h ASP 340 CO 0.44 0.13 -0.83 0.59 -1.57 0.00 0.00 179.24 178.00 1n7p n ASN 341 N -3.23 1.13 -4.58 6.45 3.02 -1.26 -5.13 115.26 111.66 1n7p n ASN 341 Ca 0.01 -2.79 -0.31 0.00 -0.03 0.00 0.00 54.58 51.46 1n7p n ASN 341 Cb 0.42 -0.64 0.17 0.00 -0.61 0.00 0.00 39.78 39.12 1n7p n ASN 341 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1n7p n PRO 342 N 2.16 -0.69 -4.38 3.52 -0.04 -1.23 -4.90 135.00 129.44 1n7p n PRO 342 Ca 0.26 -0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 1n7p n PRO 342 Cb 0.44 -2.21 -0.13 0.00 -0.04 0.00 0.00 33.50 31.55 1n7p n PRO 342 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1n7p s VAL 343 N -2.55 1.12 0.09 0.52 0.11 -0.16 -5.00 120.40 114.54 1n7p s VAL 343 Ca 0.64 -0.97 -0.31 0.00 -2.93 0.00 0.00 61.98 58.41 1n7p s VAL 343 Cb -0.22 -1.01 -0.07 0.00 -1.53 0.00 0.00 36.38 33.54 1n7p s VAL 343 CO 0.61 0.03 1.33 -0.75 -3.33 0.00 0.00 175.10 172.99 1n7p s LYS 344 N -1.08 4.35 -0.33 1.54 2.47 -1.26 -1.35 119.74 124.09 1n7p s LYS 344 Ca 0.02 1.97 -0.28 0.00 -1.56 0.00 0.00 55.97 56.12 1n7p s LYS 344 Cb -0.08 -3.30 0.02 0.00 -1.46 0.00 0.00 37.83 33.01 1n7p s LYS 344 CO 0.01 -0.39 1.05 0.00 0.16 0.00 0.00 175.35 176.18 1n7p s ALA 345 N 1.17 3.48 0.13 3.13 0.00 -0.44 -4.83 121.76 124.41 1n7p s ALA 345 Ca 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 1n7p s ALA 345 Cb -0.34 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 1n7p s ALA 345 CO 0.30 -1.50 0.04 -0.51 0.00 0.00 0.00 175.76 174.09 1n7p s LEU 346 N 3.62 1.89 0.00 0.00 1.43 -1.26 -4.72 118.68 119.63 1n7p s LEU 346 Ca 0.44 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1n7p s LEU 346 Cb -0.12 0.24 0.00 0.00 0.03 0.00 0.00 46.19 46.34 1n7p s LEU 346 CO 0.16 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1n7p n GLY 347 N -0.10 0.74 0.32 -3.19 0.00 -1.26 -2.86 105.19 98.84 1n7p n GLY 347 Ca -0.06 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.26 1n7p n GLY 347 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n7p h GLY 348 N 0.00 1.49 1.66 -0.02 0.00 -1.93 -1.75 103.07 102.51 1n7p h GLY 348 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1n7p h GLY 348 CO 0.00 -0.08 0.00 3.43 0.00 0.00 0.00 176.54 179.90 1n7p h ASN 349 N 0.62 0.40 0.79 0.19 -0.26 -1.86 -2.05 115.58 113.40 1n7p h ASN 349 Ca 0.50 -0.06 -0.08 0.00 -0.56 0.00 0.00 56.30 56.09 1n7p h ASN 349 Cb 0.76 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 1n7p h ASN 349 CO -0.39 0.46 -0.40 0.25 -1.06 0.00 0.00 177.43 176.29 1n7p h LEU 350 N 0.42 0.00 -0.30 1.61 5.85 -1.17 -0.11 115.31 121.61 1n7p h LEU 350 Ca 0.09 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.63 1n7p h LEU 350 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1n7p h LEU 350 CO 0.01 0.40 -0.53 0.58 -0.34 0.00 0.00 178.44 178.56 1n7p h VAL 351 N 0.00 1.27 -0.08 1.05 2.07 -1.24 -3.02 116.25 116.30 1n7p h VAL 351 Ca -0.00 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 65.78 1n7p h VAL 351 Cb 0.91 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 1n7p h VAL 351 CO 0.05 0.56 -0.09 0.44 0.02 0.00 0.00 177.57 178.55 1n7p h ASP 352 N 0.68 0.10 -0.70 0.57 3.32 -0.98 0.89 116.42 120.31 1n7p h ASP 352 Ca 0.02 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.12 1n7p h ASP 352 Cb 1.14 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 1n7p h ASP 352 CO 0.12 0.21 0.46 -0.03 -1.72 0.00 0.00 179.24 178.29 1n7p h MET 353 N 0.11 0.69 -0.18 3.56 4.05 -0.91 -1.33 114.93 120.92 1n7p h MET 353 Ca 0.02 -0.04 -0.19 0.00 -0.28 0.00 0.00 59.70 59.21 1n7p h MET 353 Cb 0.24 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1n7p h MET 353 CO 0.01 0.45 -0.66 0.78 0.23 0.00 0.00 176.91 177.73 1n7p h GLY 354 N 0.71 0.77 2.00 1.39 0.00 -0.74 -0.15 103.07 107.04 1n7p h GLY 354 Ca 0.31 -0.99 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1n7p h GLY 354 CO -0.10 0.89 0.00 3.21 0.00 0.00 0.00 176.54 180.54 1n7p h ARG 355 N 0.51 0.00 0.00 4.80 3.08 -0.97 -0.64 114.38 121.17 1n7p h ARG 355 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1n7p h ARG 355 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 1n7p h ARG 355 CO 0.13 0.00 -0.25 0.28 -1.07 0.00 0.00 179.97 179.07 1n7p h VAL 356 N 0.00 0.05 0.00 2.04 2.07 -1.19 -3.39 116.25 115.83 1n7p h VAL 356 Ca 0.00 -1.05 -0.21 0.00 0.82 0.00 0.00 66.70 66.26 1n7p h VAL 356 Cb 0.57 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1n7p h VAL 356 CO 0.00 0.02 -1.35 0.11 0.02 0.00 0.00 177.57 176.36 1n7p h LYS 357 N -1.00 0.00 -0.30 1.57 1.57 -1.05 -1.94 116.57 115.42 1n7p h LYS 357 Ca -0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 1n7p h LYS 357 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1n7p h LYS 357 CO -0.00 0.51 -0.53 0.28 -0.57 0.00 0.00 179.45 179.13 1n7p h VAL 358 N 0.00 1.27 -0.08 0.50 2.07 -1.29 -0.52 116.25 118.21 1n7p h VAL 358 Ca -0.17 -1.71 -0.07 0.00 0.82 0.00 0.00 66.70 65.57 1n7p h VAL 358 Cb 1.76 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1n7p h VAL 358 CO 0.07 0.56 -0.24 0.40 0.02 0.00 0.00 177.57 178.38 1n7p h ILE 359 N 0.69 1.42 -0.95 4.57 1.08 -1.67 -0.98 117.51 121.67 1n7p h ILE 359 Ca 0.02 -1.62 0.02 0.00 -0.39 0.00 0.00 64.86 62.89 1n7p h ILE 359 Cb 1.14 2.27 -0.05 0.00 -3.07 0.00 0.00 36.82 37.10 1n7p h ILE 359 CO 0.12 0.46 0.63 0.00 -0.69 0.00 0.00 178.15 178.67 1n7p h ALA 360 N 0.45 1.23 -0.35 1.87 0.00 -1.42 -0.45 119.26 120.59 1n7p h ALA 360 Ca -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1n7p h ALA 360 Cb 0.87 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1n7p h ALA 360 CO 0.05 0.55 0.14 0.78 0.00 0.00 0.00 179.25 180.77 1n7p h GLY 361 N 1.25 0.53 1.04 0.00 0.00 -1.01 -0.25 103.07 104.63 1n7p h GLY 361 Ca 0.36 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 1n7p h GLY 361 CO -0.10 0.23 -0.34 1.41 0.00 0.00 0.00 176.54 177.75 1n7p h LEU 362 N 0.49 0.86 -0.85 3.11 3.38 -0.11 -0.45 115.31 121.74 1n7p h LEU 362 Ca 0.12 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1n7p h LEU 362 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1n7p h LEU 362 CO -0.01 1.16 -0.06 -0.07 0.09 0.00 0.00 178.44 179.55 1n7p h LEU 363 N 0.58 0.77 -0.72 1.67 3.38 -0.69 -3.06 115.31 117.25 1n7p h LEU 363 Ca 0.05 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1n7p h LEU 363 Cb 0.92 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1n7p h LEU 363 CO 0.08 0.87 -0.09 0.54 0.09 0.00 0.00 178.44 179.93 1n7p n ARG 364 N -4.19 1.29 -3.69 1.13 1.74 -0.14 -4.78 116.66 108.02 1n7p n ARG 364 Ca 0.02 -0.72 -0.25 0.00 -0.77 0.00 0.00 57.85 56.14 1n7p n ARG 364 Cb 0.34 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.35 1n7p n ARG 364 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1n7p n LYS 365 N -0.23 -6.72 -3.85 5.56 5.02 -0.80 -4.96 118.16 112.18 1n7p n LYS 365 Ca 0.17 0.74 -0.35 0.00 -2.02 0.00 0.00 58.31 56.85 1n7p n LYS 365 Cb 0.34 -5.69 -0.13 0.00 -0.02 0.00 0.00 35.03 29.53 1n7p n LYS 365 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1n7p s ASP 366 N -3.57 5.11 0.32 4.39 -1.08 -0.24 -4.98 116.67 116.62 1n7p s ASP 366 Ca 0.47 -2.07 0.05 0.00 -0.52 0.00 0.00 52.55 50.48 1n7p s ASP 366 Cb -0.22 -1.77 0.55 0.00 -1.46 0.00 0.00 42.92 40.02 1n7p s ASP 366 CO 0.77 -0.50 1.80 0.44 0.52 0.00 0.00 175.17 178.20 1n7p h ASP 367 N 7.92 0.40 -0.38 -0.34 5.19 -1.93 -2.32 116.42 124.96 1n7p h ASP 367 Ca -0.10 -0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 56.04 1n7p h ASP 367 Cb 1.04 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 1n7p h ASP 367 CO 0.65 0.60 -0.37 -0.61 -3.12 0.00 0.00 179.24 176.39 1n7p h GLN 368 N 0.38 0.93 -0.55 3.56 -0.00 -1.97 -1.70 115.11 115.77 1n7p h GLN 368 Ca 0.07 -0.48 -0.05 0.00 -0.00 0.00 0.00 58.65 58.18 1n7p h GLN 368 Cb 0.53 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 28.00 1n7p h GLN 368 CO 0.03 1.14 0.13 1.49 0.00 0.00 0.00 178.83 181.62 1n7p h GLU 369 N 0.77 0.88 0.66 1.69 4.81 -1.89 -0.68 114.58 120.81 1n7p h GLU 369 Ca 0.07 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1n7p h GLU 369 Cb 0.96 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1n7p h GLU 369 CO 0.09 0.83 -0.36 0.82 -0.73 0.00 0.00 179.01 179.66 1n7p h ILE 370 N 0.77 0.26 -0.41 2.32 2.04 -1.33 -1.83 117.51 119.33 1n7p h ILE 370 Ca 0.17 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.96 1n7p h ILE 370 Cb 0.35 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1n7p h ILE 370 CO 0.00 0.00 -0.01 0.77 0.00 0.00 0.00 178.15 178.91 1n7p h SER 371 N -0.95 0.73 -0.08 1.72 4.64 -1.28 -1.63 113.55 116.70 1n7p h SER 371 Ca -0.09 -0.32 -0.10 0.00 -0.47 0.00 0.00 61.79 60.82 1n7p h SER 371 Cb 0.75 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1n7p h SER 371 CO 0.12 0.87 -0.24 0.77 -0.87 0.00 0.00 176.83 177.47 1n7p h SER 372 N 0.57 0.51 -0.31 4.97 4.64 -1.17 -1.44 113.55 121.32 1n7p h SER 372 Ca 0.12 -0.17 -0.18 0.00 -0.47 0.00 0.00 61.79 61.08 1n7p h SER 372 Cb 0.50 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1n7p h SER 372 CO 0.02 0.75 -0.51 0.74 -0.87 0.00 0.00 176.83 176.97 1n7p h THR 373 N 0.45 1.27 -0.22 2.95 2.02 -1.13 -1.99 112.91 116.26 1n7p h THR 373 Ca 0.07 -1.68 -0.02 0.00 0.77 0.00 0.00 66.41 65.54 1n7p h THR 373 Cb 0.67 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1n7p h THR 373 CO 0.05 0.55 0.05 0.40 0.37 0.00 0.00 175.52 176.94 1n7p h ILE 374 N 0.69 1.22 -0.82 3.11 2.04 -1.10 -0.94 117.51 121.71 1n7p h ILE 374 Ca 0.03 -0.71 0.10 0.00 1.00 0.00 0.00 64.86 65.27 1n7p h ILE 374 Cb 1.11 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 38.38 1n7p h ILE 374 CO 0.12 0.22 0.46 -0.09 0.00 0.00 0.00 178.15 178.86 1n7p h ARG 375 N 0.17 0.74 -0.72 2.37 2.43 -1.28 -1.47 114.38 116.63 1n7p h ARG 375 Ca 0.07 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1n7p h ARG 375 Cb 0.30 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1n7p h ARG 375 CO 0.00 0.49 0.18 1.03 -1.51 0.00 0.00 179.97 180.17 1n7p h SER 376 N 0.76 1.08 -0.40 -3.80 0.87 -1.00 -3.02 113.55 108.04 1n7p h SER 376 Ca 0.40 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1n7p h SER 376 Cb 0.40 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1n7p h SER 376 CO -0.26 1.02 0.23 0.40 -0.53 0.00 0.00 176.83 177.69 1n7p h ILE 377 N 1.08 1.13 0.00 2.23 2.04 -0.15 -2.83 117.51 121.01 1n7p h ILE 377 Ca 0.23 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1n7p h ILE 377 Cb 0.36 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1n7p h ILE 377 CO 0.00 0.15 0.00 -0.33 0.00 0.00 0.00 178.15 177.97 1n7p h GLU 378 N 0.58 0.00 -0.08 2.37 5.08 -1.27 0.11 114.58 121.38 1n7p h GLU 378 Ca 0.15 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1n7p h GLU 378 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1n7p h GLU 378 CO -0.03 0.00 0.07 0.37 -1.00 0.00 0.00 179.01 178.43 1n7p h GLN 379 N 0.00 0.00 0.00 2.33 4.15 -1.65 -2.45 115.11 117.49 1n7p h GLN 379 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1n7p h GLN 379 Cb 0.07 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 1n7p h GLN 379 CO 0.00 0.00 -0.00 -0.24 -1.93 0.00 0.00 178.83 176.66 1n7p h VAL 380 N 0.00 0.75 0.00 2.39 3.04 -1.19 -2.57 116.25 118.67 1n7p h VAL 380 Ca 0.04 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1n7p h VAL 380 Cb 0.18 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1n7p h VAL 380 CO -0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 1n7p n PHE 381 N -4.17 0.00 -3.11 3.17 3.72 -0.92 -4.77 117.46 111.37 1n7p n PHE 381 Ca -0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.97 1n7p n PHE 381 Cb 0.09 -0.31 -0.06 0.00 -0.94 0.00 0.00 39.48 38.26 1n7p n PHE 381 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1n7p s LYS 382 N -2.63 4.26 0.35 -1.08 1.02 -0.97 -4.76 119.74 115.94 1n7p s LYS 382 Ca 0.26 0.66 -0.27 0.00 0.02 0.00 0.00 55.97 56.64 1n7p s LYS 382 Cb 0.20 -3.54 -0.09 0.00 -0.52 0.00 0.00 37.83 33.87 1n7p s LYS 382 CO 0.47 -0.16 1.21 -0.51 -0.92 0.00 0.00 175.35 175.44 1n7p s LEU 383 N 1.63 4.35 0.30 3.17 1.02 -1.26 -4.68 118.68 123.21 1n7p s LEU 383 Ca 0.30 2.47 0.09 0.00 0.02 0.00 0.00 54.13 57.01 1n7p s LEU 383 Cb -0.16 -3.80 -0.04 0.00 0.02 0.00 0.00 46.19 42.20 1n7p s LEU 383 CO 0.12 -0.53 0.07 0.68 0.02 0.00 0.00 176.35 176.71 1n7p s VAL 384 N -1.26 3.33 -0.14 -1.59 -7.23 -0.22 -5.00 120.40 108.29 1n7p s VAL 384 Ca 0.52 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1n7p s VAL 384 Cb -0.35 -2.94 0.03 0.00 0.56 0.00 0.00 36.38 33.68 1n7p s VAL 384 CO 0.45 -0.29 0.83 -0.90 -0.31 0.00 0.00 175.10 174.88 1n7p n ASP 385 N -1.03 1.70 -3.63 4.85 5.75 -1.26 -4.31 116.55 118.62 1n7p n ASP 385 Ca -0.05 -1.61 -0.14 0.00 -0.01 0.00 0.00 54.79 52.98 1n7p n ASP 385 Cb 0.60 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.61 1n7p n ASP 385 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1n7p s GLN 386 N -0.63 0.93 2.81 0.11 0.74 -1.26 -5.14 119.66 117.21 1n7p s GLN 386 Ca 0.02 -0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.24 1n7p s GLN 386 Cb 0.01 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.55 1n7p s GLN 386 CO 0.02 -0.31 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 1n7p n GLY 387 N 0.68 -0.44 3.80 2.59 0.00 -1.26 -4.87 105.19 105.70 1n7p n GLY 387 Ca -0.19 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 1n7p n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n7p s GLU 388 N 0.00 4.35 0.00 1.61 2.02 -1.26 -4.68 118.70 120.74 1n7p s GLU 388 Ca 0.00 0.98 0.00 0.00 0.02 0.00 0.00 54.97 55.97 1n7p s GLU 388 Cb 0.00 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1n7p s GLU 388 CO 0.00 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1n7p n GLY 389 N 0.91 0.80 3.80 -1.39 0.00 -0.11 -4.90 105.19 104.29 1n7p n GLY 389 Ca -0.03 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1n7p n GLY 389 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n7p s PHE 390 N -1.42 3.78 0.24 1.61 0.08 -1.26 -1.42 117.98 119.58 1n7p s PHE 390 Ca 0.00 1.27 0.07 0.00 0.12 0.00 0.00 56.93 58.39 1n7p s PHE 390 Cb 0.00 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 1n7p s PHE 390 CO 0.00 0.52 0.16 0.71 -0.10 0.00 0.00 175.22 176.51 1n7p s TYR 391 N -0.85 3.07 0.29 0.36 1.51 0.21 -1.06 117.35 120.88 1n7p s TYR 391 Ca 0.30 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 1n7p s TYR 391 Cb -0.19 -1.40 0.62 0.00 -0.11 0.00 0.00 41.96 40.88 1n7p s TYR 391 CO 0.19 0.53 1.82 0.37 -1.11 0.00 0.00 175.55 177.35 1n7p h GLN 392 N 1.70 0.89 0.00 -0.62 4.15 -1.88 -1.95 115.11 117.40 1n7p h GLN 392 Ca -0.48 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.89 1n7p h GLN 392 Cb 1.23 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1n7p h GLN 392 CO 0.61 0.59 0.00 -0.40 -1.93 0.00 0.00 178.83 177.70 1n7p n ASP 393 N -4.66 0.00 0.00 -0.69 5.75 -1.26 -4.86 116.55 110.83 1n7p n ASP 393 Ca 0.20 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1n7p n ASP 393 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1n7p n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n7p n GLY 394 N 0.76 0.29 3.76 6.12 0.00 -0.73 -4.63 105.19 110.75 1n7p n GLY 394 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1n7p n GLY 394 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n7p s SER 395 N -2.28 4.88 -0.06 1.61 0.01 -1.26 -4.23 113.70 112.37 1n7p s SER 395 Ca 0.00 2.12 -0.00 0.00 1.31 0.00 0.00 55.95 59.38 1n7p s SER 395 Cb 0.00 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1n7p s SER 395 CO 0.00 -1.79 -0.02 -0.47 0.41 0.00 0.00 173.24 171.37 1n7p s TYR 396 N -2.18 0.72 -0.10 2.43 6.14 -1.26 -0.62 117.35 122.48 1n7p s TYR 396 Ca 0.70 -0.20 0.00 0.00 0.64 0.00 0.00 57.07 58.21 1n7p s TYR 396 Cb -0.23 -0.74 -0.02 0.00 0.42 0.00 0.00 41.96 41.38 1n7p s TYR 396 CO 0.41 -0.27 -0.10 0.42 0.64 0.00 0.00 175.55 176.66 1n7p s ILE 397 N 1.45 3.37 0.24 3.14 -1.09 -0.51 -1.28 121.20 126.53 1n7p s ILE 397 Ca -0.03 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 1n7p s ILE 397 Cb -0.13 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.32 1n7p s ILE 397 CO -0.03 0.56 0.15 -0.62 -1.23 0.00 0.00 174.94 173.77 1n7p s ASP 398 N -0.24 0.75 -1.36 3.58 -1.08 -0.54 -0.94 116.67 116.85 1n7p s ASP 398 Ca 0.02 -1.47 -0.01 0.00 -0.52 0.00 0.00 52.55 50.57 1n7p s ASP 398 Cb -0.13 0.37 0.01 0.00 -1.46 0.00 0.00 42.92 41.71 1n7p s ASP 398 CO 0.03 -0.86 0.62 1.41 0.52 0.00 0.00 175.17 176.88 1n7p n HIS 399 N -0.40 -1.84 0.00 -5.34 8.25 -1.26 -1.45 115.22 113.18 1n7p n HIS 399 Ca 0.02 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1n7p n HIS 399 Cb 0.65 -4.13 0.00 0.00 1.12 0.00 0.00 29.99 27.63 1n7p n HIS 399 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1n7p n THR 400 N -4.34 0.00 -2.32 1.59 -1.04 -1.26 -3.99 114.28 102.92 1n7p n THR 400 Ca -0.28 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.69 1n7p n THR 400 Cb 0.67 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.19 1n7p n THR 400 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1n7p n ASN 401 N 2.59 -0.69 -4.39 8.00 6.94 -1.19 -4.56 115.26 121.96 1n7p n ASN 401 Ca 0.00 -2.06 -0.34 0.00 -0.02 0.00 0.00 54.58 52.16 1n7p n ASN 401 Cb 0.00 0.28 -0.14 0.00 -2.36 0.00 0.00 39.78 37.56 1n7p n ASN 401 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1n7p s VAL 402 N -0.24 3.38 -0.06 3.53 1.01 -0.53 -1.27 120.40 126.22 1n7p s VAL 402 Ca 0.09 -0.53 -0.34 0.00 0.00 0.00 0.00 61.98 61.20 1n7p s VAL 402 Cb 0.20 -2.47 -0.12 0.00 0.00 0.00 0.00 36.38 33.99 1n7p s VAL 402 CO -0.06 0.49 1.86 0.00 0.00 0.00 0.00 175.10 177.39 1n7p n ALA 403 N 3.86 0.97 -2.10 5.51 0.00 -1.26 -1.47 120.51 126.02 1n7p n ALA 403 Ca -0.18 0.29 -0.00 0.00 0.00 0.00 0.00 53.44 53.55 1n7p n ALA 403 Cb 0.52 -2.50 -0.01 0.00 0.00 0.00 0.00 19.45 17.47 1n7p n ALA 403 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n7p n TYR 404 N 6.41 0.00 -0.36 0.00 4.01 -0.40 -4.41 117.16 122.41 1n7p n TYR 404 Ca 0.22 -0.17 0.09 0.00 -0.16 0.00 0.00 57.90 57.87 1n7p n TYR 404 Cb 0.30 0.10 0.26 0.00 -0.31 0.00 0.00 39.34 39.69 1n7p n TYR 404 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1n7p h THR 405 N 6.13 0.86 -0.42 -0.72 2.02 -1.62 -2.54 112.91 116.61 1n7p h THR 405 Ca -0.13 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1n7p h THR 405 Cb 1.39 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1n7p h THR 405 CO -0.02 0.17 0.00 0.61 0.37 0.00 0.00 175.52 176.65 1n7p n GLY 406 N -1.34 1.27 1.78 2.16 0.00 -0.00 -2.12 105.19 106.93 1n7p n GLY 406 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1n7p n GLY 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7p n ALA 407 N 0.71 3.00 0.12 4.61 0.00 -1.10 -4.58 120.51 123.28 1n7p n ALA 407 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 1n7p n ALA 407 Cb 0.44 0.02 0.20 0.00 0.00 0.00 0.00 19.45 20.11 1n7p n ALA 407 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1n7p h TYR 408 N 0.00 0.15 -0.72 0.00 0.05 -1.72 -2.52 116.97 112.21 1n7p h TYR 408 Ca 0.00 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.67 1n7p h TYR 408 Cb 0.00 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1n7p h TYR 408 CO 0.00 0.63 0.20 0.78 -1.05 0.00 0.00 178.16 178.71 1n7p h GLY 409 N 1.48 1.21 0.70 3.88 0.00 -1.10 -2.07 103.07 107.17 1n7p h GLY 409 Ca -0.00 -0.73 0.04 0.00 0.00 0.00 0.00 47.33 46.63 1n7p h GLY 409 CO 0.08 0.68 0.06 3.43 0.00 0.00 0.00 176.54 180.78 1n7p h ASN 410 N 1.07 0.02 -0.95 0.19 4.21 -1.24 -1.60 115.58 117.29 1n7p h ASN 410 Ca 0.23 0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.79 1n7p h ASN 410 Cb 0.34 0.05 -0.05 0.00 -1.12 0.00 0.00 38.32 37.54 1n7p h ASN 410 CO -0.00 0.04 0.63 0.58 -1.29 0.00 0.00 177.43 177.39 1n7p h VAL 411 N 0.16 1.24 0.51 2.81 2.07 -1.19 0.11 116.25 121.96 1n7p h VAL 411 Ca 0.12 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1n7p h VAL 411 Cb 0.12 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.74 1n7p h VAL 411 CO -0.16 0.24 -0.31 0.25 0.02 0.00 0.00 177.57 177.61 1n7p h LEU 412 N 1.29 -0.77 -0.41 2.57 6.46 -0.84 0.84 115.31 124.45 1n7p h LEU 412 Ca 0.35 0.04 -0.17 0.00 -0.12 0.00 0.00 57.88 57.98 1n7p h LEU 412 Cb -0.15 0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1n7p h LEU 412 CO -0.07 -0.49 -0.50 -0.29 -0.62 0.00 0.00 178.44 176.47 1n7p h ILE 413 N -0.77 1.29 0.23 4.05 2.10 -0.93 -0.71 117.51 122.77 1n7p h ILE 413 Ca -0.06 -1.70 -0.01 0.00 1.08 0.00 0.00 64.86 64.17 1n7p h ILE 413 Cb 0.63 1.60 0.00 0.00 -1.09 0.00 0.00 36.82 37.96 1n7p h ILE 413 CO 0.06 0.55 -0.11 -0.78 -1.08 0.00 0.00 178.15 176.79 1n7p h ASP 414 N 0.61 -0.26 -0.38 2.19 3.58 -0.78 -1.47 116.42 119.91 1n7p h ASP 414 Ca 0.03 -0.07 -0.13 0.00 0.42 0.00 0.00 57.03 57.28 1n7p h ASP 414 Cb 1.08 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1n7p h ASP 414 CO 0.11 -0.10 -0.25 1.23 -2.88 0.00 0.00 179.24 177.35 1n7p h GLY 415 N -0.41 0.92 1.13 -0.78 0.00 -0.84 -2.96 103.07 100.13 1n7p h GLY 415 Ca -0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.36 1n7p h GLY 415 CO 0.05 0.79 0.14 -2.00 0.00 0.00 0.00 176.54 175.53 1n7p h LEU 416 N 0.65 1.02 -1.35 3.11 5.85 -1.10 -2.19 115.31 121.30 1n7p h LEU 416 Ca 0.08 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 1n7p h LEU 416 Cb 0.82 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1n7p h LEU 416 CO 0.07 0.99 -0.32 0.77 -0.34 0.00 0.00 178.44 179.61 1n7p h SER 417 N 1.02 0.00 -0.29 1.25 4.64 -1.25 -0.68 113.55 118.24 1n7p h SER 417 Ca 0.21 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.44 1n7p h SER 417 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1n7p h SER 417 CO 0.01 0.32 -0.15 1.56 -0.87 0.00 0.00 176.83 177.69 1n7p h GLN 418 N 0.00 0.61 -0.02 4.77 4.20 -1.31 -3.36 115.11 120.00 1n7p h GLN 418 Ca -0.00 -0.27 -0.21 0.00 0.06 0.00 0.00 58.65 58.22 1n7p h GLN 418 Cb 0.59 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1n7p h GLN 418 CO 0.04 0.85 -0.88 1.25 -0.67 0.00 0.00 178.83 179.43 1n7p h LEU 419 N 0.36 0.51 -0.62 1.46 5.85 -0.78 -3.38 115.31 118.71 1n7p h LEU 419 Ca 0.06 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.44 1n7p h LEU 419 Cb 0.68 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1n7p h LEU 419 CO 0.05 1.17 0.35 -0.07 -0.34 0.00 0.00 178.44 179.59 1n7p h LEU 420 N 0.24 0.53 -1.79 2.25 3.38 -1.29 -0.71 115.31 117.93 1n7p h LEU 420 Ca -0.06 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1n7p h LEU 420 Cb 1.50 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 1n7p h LEU 420 CO 0.15 0.35 0.28 -0.65 0.09 0.00 0.00 178.44 178.66 1n7p h PRO 421 N 0.66 0.25 -0.00 1.13 0.11 -1.79 -0.94 132.00 131.42 1n7p h PRO 421 Ca 0.27 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.36 1n7p h PRO 421 Cb 0.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1n7p h PRO 421 CO -0.15 0.16 -0.03 0.28 -0.21 0.00 0.00 178.00 178.05 1n7p h VAL 422 N 0.25 1.63 -0.93 3.15 2.07 -1.43 -3.34 116.25 117.65 1n7p h VAL 422 Ca 0.18 -1.88 0.08 0.00 0.82 0.00 0.00 66.70 65.91 1n7p h VAL 422 Cb 0.40 2.90 -0.07 0.00 -1.52 0.00 0.00 31.29 33.00 1n7p h VAL 422 CO -0.04 0.49 0.60 0.40 0.02 0.00 0.00 177.57 179.04 1n7p h ILE 423 N -0.77 1.01 0.00 4.57 2.04 -0.95 -2.52 117.51 120.90 1n7p h ILE 423 Ca -0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1n7p h ILE 423 Cb 0.82 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1n7p h ILE 423 CO 0.00 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.34 1n7p n GLN 424 N -4.52 0.11 -0.11 2.37 1.13 -0.38 -2.07 117.38 113.92 1n7p n GLN 424 Ca 0.15 0.30 0.08 0.00 -1.94 0.00 0.00 57.00 55.59 1n7p n GLN 424 Cb 0.26 -1.70 0.13 0.00 0.11 0.00 0.00 30.24 29.04 1n7p n GLN 424 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1n7p n LYS 425 N -1.91 1.88 -1.86 -1.09 5.02 -0.95 -4.71 118.16 114.54 1n7p n LYS 425 Ca 0.03 -1.79 -0.28 0.00 -2.02 0.00 0.00 58.31 54.25 1n7p n LYS 425 Cb 0.24 -1.33 0.19 0.00 -0.02 0.00 0.00 35.03 34.11 1n7p n LYS 425 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1n7p n THR 426 N 0.89 0.00 1.11 -0.18 -2.24 -0.88 -4.96 114.28 108.01 1n7p n THR 426 Ca 0.12 -0.97 0.12 0.00 -2.27 0.00 0.00 64.05 61.05 1n7p n THR 426 Cb 0.43 -1.50 0.59 0.00 -2.10 0.00 0.00 70.33 67.76 1n7p n THR 426 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n7p n LYS 427 N -3.65 0.32 -3.15 -0.78 5.02 -1.26 -3.90 118.16 110.76 1n7p n LYS 427 Ca 0.16 0.06 -0.25 0.00 -2.02 0.00 0.00 58.31 56.27 1n7p n LYS 427 Cb 0.55 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 1n7p n LYS 427 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n7p n ASN 428 N -1.30 2.87 -4.68 4.39 4.13 -1.26 -5.11 115.26 114.30 1n7p n ASN 428 Ca 0.11 -3.33 -0.31 0.00 1.68 0.00 0.00 54.58 52.73 1n7p n ASN 428 Cb 0.19 -0.61 0.16 0.00 -1.54 0.00 0.00 39.78 37.98 1n7p n ASN 428 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1n7p s PRO 429 N -2.67 1.08 0.06 3.52 0.04 -1.25 -4.88 135.00 130.90 1n7p s PRO 429 Ca 0.43 1.43 -0.17 0.00 0.04 0.00 0.00 61.00 62.72 1n7p s PRO 429 Cb 0.25 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.98 1n7p s PRO 429 CO -0.09 -2.55 0.51 0.42 0.04 0.00 0.00 177.00 175.34 1n7p s ILE 430 N -2.68 4.85 0.32 0.56 1.01 -1.26 -5.04 121.20 118.95 1n7p s ILE 430 Ca 0.66 1.05 -0.29 0.00 0.00 0.00 0.00 60.65 62.07 1n7p s ILE 430 Cb -0.22 -3.82 -0.12 0.00 0.01 0.00 0.00 42.46 38.31 1n7p s ILE 430 CO 0.58 0.53 1.53 0.47 0.00 0.00 0.00 174.94 178.05 1n7p n ASP 431 N 1.66 3.69 -0.11 3.58 8.00 -1.26 -4.91 116.55 127.20 1n7p n ASP 431 Ca -0.11 1.18 -0.01 0.00 0.71 0.00 0.00 54.79 56.56 1n7p n ASP 431 Cb 0.51 -1.58 0.25 0.00 -0.02 0.00 0.00 41.12 40.28 1n7p n ASP 431 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1n7p h LYS 432 N 4.01 0.77 -0.38 -1.24 6.56 -1.99 -2.62 116.57 121.68 1n7p h LYS 432 Ca -0.48 -0.12 0.07 0.00 -1.06 0.00 0.00 60.65 59.06 1n7p h LYS 432 Cb 1.24 -0.13 -0.06 0.00 -0.57 0.00 0.00 32.23 32.70 1n7p h LYS 432 CO 0.73 0.65 0.01 -0.44 -2.06 0.00 0.00 179.45 178.33 1n7p h ASP 433 N 0.76 -0.14 -0.81 0.86 5.19 -2.02 -2.62 116.42 117.63 1n7p h ASP 433 Ca 0.18 0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 1n7p h ASP 433 Cb 0.18 0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 1n7p h ASP 433 CO -0.01 -0.03 0.43 0.11 -3.12 0.00 0.00 179.24 176.61 1n7p h LYS 434 N 0.11 1.16 0.00 3.56 1.57 -1.85 -2.93 116.57 118.18 1n7p h LYS 434 Ca 0.19 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1n7p h LYS 434 Cb 0.26 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1n7p h LYS 434 CO -0.30 0.86 0.00 -1.33 -0.57 0.00 0.00 179.45 178.11 1n7p n MET 435 N -4.33 0.11 0.30 3.15 2.81 -1.00 -3.67 117.12 114.49 1n7p n MET 435 Ca 0.08 0.27 0.17 0.00 -1.81 0.00 0.00 57.70 56.42 1n7p n MET 435 Cb 0.12 -1.68 0.97 0.00 -0.71 0.00 0.00 33.22 31.92 1n7p n MET 435 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 1n7p h GLN 436 N 0.00 0.00 0.00 0.03 5.75 -1.35 -1.86 115.11 117.69 1n7p h GLN 436 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1n7p h GLN 436 Cb 0.39 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 1n7p h GLN 436 CO 0.00 0.02 -0.08 1.79 -2.65 0.00 0.00 178.83 177.90 1n7p h THR 437 N 0.00 0.31 -0.91 2.39 1.35 -1.80 -2.53 112.91 111.73 1n7p h THR 437 Ca -0.00 -0.54 0.09 0.00 -0.55 0.00 0.00 66.41 65.41 1n7p h THR 437 Cb 0.07 1.41 -0.06 0.00 -1.73 0.00 0.00 68.15 67.83 1n7p h THR 437 CO 0.00 0.08 0.59 0.24 -0.25 0.00 0.00 175.52 176.18 1n7p h MET 438 N 0.00 0.91 -0.01 4.72 2.86 -1.63 -1.09 114.93 120.69 1n7p h MET 438 Ca -0.00 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1n7p h MET 438 Cb 0.40 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1n7p h MET 438 CO 0.01 0.60 -0.38 1.88 1.06 0.00 0.00 176.91 180.09 1n7p h TYR 439 N 0.94 0.03 -0.42 -0.22 0.05 -1.65 -2.18 116.97 113.51 1n7p h TYR 439 Ca 0.41 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.16 1n7p h TYR 439 Cb 0.35 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1n7p h TYR 439 CO -0.00 0.40 0.17 1.25 -1.05 0.00 0.00 178.16 178.94 1n7p h HIS 440 N 0.02 0.64 -0.39 4.88 2.76 -1.32 -2.23 115.15 119.52 1n7p h HIS 440 Ca -0.00 -0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1n7p h HIS 440 Cb 0.68 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.41 1n7p h HIS 440 CO 0.00 0.55 0.16 -1.49 -1.30 0.00 0.00 177.93 175.86 1n7p h TRP 441 N 0.54 0.29 -0.11 5.26 6.55 -0.94 0.27 115.95 127.82 1n7p h TRP 441 Ca 0.14 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 60.00 1n7p h TRP 441 Cb 0.18 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.40 1n7p h TRP 441 CO -0.00 0.13 0.06 0.82 -1.05 0.00 0.00 178.44 178.41 1n7p h ILE 442 N 0.34 1.07 0.06 1.49 2.04 -1.19 0.16 117.51 121.48 1n7p h ILE 442 Ca 0.17 -0.20 -0.27 0.00 1.00 0.00 0.00 64.86 65.56 1n7p h ILE 442 Cb 0.12 1.01 0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1n7p h ILE 442 CO -0.15 0.07 -1.13 0.44 0.00 0.00 0.00 178.15 177.37 1n7p h ASP 443 N 0.10 0.80 0.15 1.72 3.32 -1.33 -0.09 116.42 121.09 1n7p h ASP 443 Ca 0.04 -0.70 -0.36 0.00 0.02 0.00 0.00 57.03 56.04 1n7p h ASP 443 Cb 0.05 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.31 1n7p h ASP 443 CO -0.01 1.50 -2.13 0.29 -1.72 0.00 0.00 179.24 177.17 1n7p n LYS 444 N -3.79 0.69 -0.13 3.56 4.76 0.08 -4.48 118.16 118.85 1n7p n LYS 444 Ca -0.11 0.19 -0.25 0.00 -2.87 0.00 0.00 58.31 55.27 1n7p n LYS 444 Cb 0.93 -1.64 -0.10 0.00 -1.84 0.00 0.00 35.03 32.37 1n7p n LYS 444 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1n7p n SER 445 N -3.20 1.95 -0.10 4.39 7.64 -0.06 -4.51 113.62 119.73 1n7p n SER 445 Ca -0.32 0.17 -0.19 0.00 1.01 0.00 0.00 58.87 59.54 1n7p n SER 445 Cb 1.05 -0.66 -0.09 0.00 -1.01 0.00 0.00 64.21 63.50 1n7p n SER 445 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n7p n PHE 446 N -3.89 0.82 -0.26 1.43 3.72 -0.55 -4.40 117.46 114.32 1n7p n PHE 446 Ca -0.51 0.35 0.06 0.00 -0.05 0.00 0.00 57.45 57.30 1n7p n PHE 446 Cb 0.92 -0.99 0.19 0.00 -0.94 0.00 0.00 39.48 38.66 1n7p n PHE 446 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1n7p h ALA 447 N -0.70 1.07 0.00 4.37 0.00 -1.23 -1.44 119.26 121.33 1n7p h ALA 447 Ca -0.30 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1n7p h ALA 447 Cb 1.15 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1n7p h ALA 447 CO -0.18 -0.24 -0.06 -1.35 0.00 0.00 0.00 179.25 177.42 1n7p h PRO 448 N 0.42 0.00 -0.08 0.00 0.11 -1.79 -1.93 132.00 128.72 1n7p h PRO 448 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1n7p h PRO 448 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1n7p h PRO 448 CO -0.43 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 178.70 1n7p n LEU 449 N -3.54 0.94 -4.34 2.35 4.77 -0.55 -4.77 117.00 111.86 1n7p n LEU 449 Ca -0.02 -0.38 -0.37 0.00 -0.03 0.00 0.00 56.01 55.21 1n7p n LEU 449 Cb 0.18 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.09 1n7p n LEU 449 CO 0.27 0.19 -0.30 -0.76 -1.33 0.00 0.00 177.39 175.47 1n7p s LEU 450 N -1.63 3.68 -0.15 2.23 1.43 -0.73 -1.39 118.68 122.13 1n7p s LEU 450 Ca 0.32 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1n7p s LEU 450 Cb 0.16 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.57 1n7p s LEU 450 CO 0.26 -0.16 -0.03 -0.69 0.23 0.00 0.00 176.35 175.96 1n7p s VAL 451 N 1.49 0.85 -1.41 -1.59 1.01 -0.35 -4.79 120.40 115.61 1n7p s VAL 451 Ca 0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 1n7p s VAL 451 Cb -0.17 -1.07 0.07 0.00 0.00 0.00 0.00 36.38 35.21 1n7p s VAL 451 CO 0.01 0.11 0.65 0.59 0.00 0.00 0.00 175.10 176.47 1n7p n ASN 452 N 4.97 -4.42 0.00 3.32 3.02 -1.26 -1.30 115.26 119.59 1n7p n ASN 452 Ca -0.10 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1n7p n ASN 452 Cb 0.48 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.05 1n7p n ASN 452 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n7p n GLY 453 N -1.38 0.77 3.59 7.41 0.00 -1.26 -4.30 105.19 110.02 1n7p n GLY 453 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1n7p n GLY 453 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n7p s GLU 454 N -0.43 3.30 -0.24 1.61 2.12 -0.42 -4.38 118.70 120.27 1n7p s GLU 454 Ca 0.00 -0.47 -0.18 0.00 0.36 0.00 0.00 54.97 54.68 1n7p s GLU 454 Cb 0.00 -2.84 -0.03 0.00 0.26 0.00 0.00 34.13 31.52 1n7p s GLU 454 CO 0.00 0.48 0.52 -1.17 -0.54 0.00 0.00 175.26 174.55 1n7p s LEU 455 N -0.27 4.09 0.10 2.70 2.96 -0.45 -1.21 118.68 126.60 1n7p s LEU 455 Ca 0.05 0.60 -0.31 0.00 -0.22 0.00 0.00 54.13 54.25 1n7p s LEU 455 Cb -0.12 -2.69 -0.10 0.00 0.50 0.00 0.00 46.19 43.77 1n7p s LEU 455 CO 0.02 -0.25 1.88 0.23 -1.32 0.00 0.00 176.35 176.91 1n7p n MET 456 N 5.24 2.82 0.30 1.98 2.81 -0.48 -4.68 117.12 125.11 1n7p n MET 456 Ca -0.04 1.03 0.15 0.00 -1.81 0.00 0.00 57.70 57.03 1n7p n MET 456 Cb 0.50 -2.94 0.92 0.00 -0.71 0.00 0.00 33.22 30.99 1n7p n MET 456 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1n7p h ASP 457 N 9.09 0.00 0.40 7.83 3.32 -1.94 -1.53 116.42 133.59 1n7p h ASP 457 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1n7p h ASP 457 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1n7p h ASP 457 CO 0.95 0.01 0.00 1.15 -1.72 0.00 0.00 179.24 179.62 1n7p n MET 458 N -3.81 0.10 0.00 3.56 0.00 -1.26 -1.78 117.12 113.92 1n7p n MET 458 Ca -0.03 0.43 0.12 0.00 0.00 0.00 0.00 57.70 58.22 1n7p n MET 458 Cb 0.09 -1.73 0.09 0.00 0.00 0.00 0.00 33.22 31.66 1n7p n MET 458 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1n7p n SER 459 N -1.92 2.84 -0.90 3.17 3.41 -0.57 -4.60 113.62 115.04 1n7p n SER 459 Ca 0.01 -1.92 0.09 0.00 -0.26 0.00 0.00 58.87 56.80 1n7p n SER 459 Cb 0.14 0.06 0.17 0.00 -0.26 0.00 0.00 64.21 64.31 1n7p n SER 459 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n7p n ARG 460 N 1.16 2.19 0.00 4.33 1.74 -0.73 -0.82 116.66 124.52 1n7p n ARG 460 Ca 0.13 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 55.20 1n7p n ARG 460 Cb 0.57 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 1n7p n ARG 460 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n7p n GLY 461 N 1.10 2.98 0.00 -0.13 0.00 -1.26 -1.74 105.19 106.14 1n7p n GLY 461 Ca 0.15 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1n7p n GLY 461 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n7p n ARG 462 N 14.00 0.18 0.09 1.61 1.85 -1.26 -3.25 116.66 129.89 1n7p n ARG 462 Ca 0.00 0.06 0.10 0.00 -1.00 0.00 0.00 57.85 57.01 1n7p n ARG 462 Cb 0.00 -1.50 0.44 0.00 -1.05 0.00 0.00 32.46 30.35 1n7p n ARG 462 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1n7p n SER 463 N -1.39 0.48 0.28 2.89 7.64 -0.71 -1.95 113.62 120.86 1n7p n SER 463 Ca 0.09 0.62 0.18 0.00 1.01 0.00 0.00 58.87 60.77 1n7p n SER 463 Cb 0.25 -0.72 0.96 0.00 -1.01 0.00 0.00 64.21 63.68 1n7p n SER 463 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1n7p h ILE 464 N 0.00 0.32 -0.35 0.44 3.07 -1.70 -2.55 117.51 116.73 1n7p h ILE 464 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1n7p h ILE 464 Cb 0.33 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 1n7p h ILE 464 CO 0.00 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 175.56 1n7p n SER 465 N -3.54 2.39 -4.40 2.16 3.41 -0.82 -4.82 113.62 107.99 1n7p n SER 465 Ca -0.01 -2.13 -0.36 0.00 -0.26 0.00 0.00 58.87 56.10 1n7p n SER 465 Cb 0.19 -0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 63.67 1n7p n SER 465 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1n7p s ARG 466 N -1.61 3.51 0.40 4.33 0.52 -0.96 -4.63 118.95 120.52 1n7p s ARG 466 Ca 0.26 -0.57 0.11 0.00 -0.52 0.00 0.00 55.73 55.01 1n7p s ARG 466 Cb 0.15 -3.28 0.84 0.00 0.52 0.00 0.00 34.95 33.19 1n7p s ARG 466 CO 0.14 -0.23 1.94 0.00 0.02 0.00 0.00 175.30 177.17 1n7p h ALA 467 N 8.22 1.56 -0.15 2.13 0.00 -1.89 -2.21 119.26 126.92 1n7p h ALA 467 Ca -0.38 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1n7p h ALA 467 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1n7p h ALA 467 CO 0.59 0.32 0.00 0.27 0.00 0.00 0.00 179.25 180.42 1n7p n ASN 468 N -4.29 1.15 -2.66 0.00 2.04 -1.26 -4.20 115.26 106.03 1n7p n ASN 468 Ca -0.01 -1.75 -0.06 0.00 -0.44 0.00 0.00 54.58 52.32 1n7p n ASN 468 Cb 0.26 -0.10 0.04 0.00 -2.53 0.00 0.00 39.78 37.45 1n7p n ASN 468 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1n7p n SER 469 N 0.03 2.27 -4.47 0.53 7.64 -0.83 -4.89 113.62 113.91 1n7p n SER 469 Ca 0.13 -2.44 -0.28 0.00 1.01 0.00 0.00 58.87 57.28 1n7p n SER 469 Cb 0.22 -0.46 0.23 0.00 -1.01 0.00 0.00 64.21 63.20 1n7p n SER 469 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1n7p s GLU 470 N -3.71 -0.71 0.33 1.43 2.02 -1.25 -4.45 118.70 112.35 1n7p s GLU 470 Ca 0.32 0.62 0.02 0.00 0.02 0.00 0.00 54.97 55.94 1n7p s GLU 470 Cb 0.35 -1.60 0.59 0.00 0.10 0.00 0.00 34.13 33.57 1n7p s GLU 470 CO -0.02 -3.53 1.97 0.78 0.02 0.00 0.00 175.26 174.48 1n7p h GLY 471 N -2.47 1.06 1.70 -1.39 0.00 -1.84 -0.84 103.07 99.29 1n7p h GLY 471 Ca -0.59 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.24 1n7p h GLY 471 CO 0.52 0.33 -0.52 0.45 0.00 0.00 0.00 176.54 177.31 1n7p h HIS 472 N 0.94 0.39 -0.09 5.60 3.86 -1.88 -1.07 115.15 122.91 1n7p h HIS 472 Ca 0.30 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 1n7p h HIS 472 Cb 0.03 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 1n7p h HIS 472 CO -0.00 0.77 -0.03 0.28 0.86 0.00 0.00 177.93 179.81 1n7p h VAL 473 N 0.25 1.31 -0.49 2.45 2.07 -1.50 -3.16 116.25 117.19 1n7p h VAL 473 Ca 0.01 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1n7p h VAL 473 Cb 1.00 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1n7p h VAL 473 CO 0.08 0.28 0.28 0.00 0.02 0.00 0.00 177.57 178.24 1n7p h ALA 474 N 0.65 1.58 -0.78 1.67 0.00 -1.31 -1.77 119.26 119.30 1n7p h ALA 474 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.96 1n7p h ALA 474 Cb 0.46 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1n7p h ALA 474 CO 0.01 0.36 0.51 0.00 0.00 0.00 0.00 179.25 180.13 1n7p h ALA 475 N 1.64 1.79 0.00 0.00 0.00 -1.40 -1.97 119.26 119.32 1n7p h ALA 475 Ca 0.17 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1n7p h ALA 475 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1n7p h ALA 475 CO -0.03 0.04 -0.43 0.28 0.00 0.00 0.00 179.25 179.11 1n7p h VAL 476 N 0.69 1.26 -0.77 0.00 2.07 -1.31 0.01 116.25 118.21 1n7p h VAL 476 Ca 0.36 -1.51 0.08 0.00 0.82 0.00 0.00 66.70 66.45 1n7p h VAL 476 Cb 0.47 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1n7p h VAL 476 CO -0.14 0.42 0.44 -0.33 0.02 0.00 0.00 177.57 177.98 1n7p h GLU 477 N 0.00 0.75 -0.03 1.57 5.08 -1.41 0.15 114.58 120.69 1n7p h GLU 477 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1n7p h GLU 477 Cb 0.79 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1n7p h GLU 477 CO 0.06 0.49 -0.04 0.28 -1.00 0.00 0.00 179.01 178.80 1n7p h VAL 478 N 0.77 1.40 -0.92 3.13 2.07 -1.36 -2.91 116.25 118.42 1n7p h VAL 478 Ca 0.36 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1n7p h VAL 478 Cb 0.27 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1n7p h VAL 478 CO -0.21 0.33 0.56 -0.07 0.02 0.00 0.00 177.57 178.20 1n7p h LEU 479 N -0.41 1.10 -0.87 2.57 3.38 -0.79 -0.34 115.31 119.95 1n7p h LEU 479 Ca 0.00 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1n7p h LEU 479 Cb 0.56 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1n7p h LEU 479 CO 0.01 0.84 -0.46 0.08 0.09 0.00 0.00 178.44 179.00 1n7p h ARG 480 N 1.27 0.25 -0.18 1.13 0.11 -1.06 -0.95 114.38 114.94 1n7p h ARG 480 Ca 0.33 -0.13 -0.02 0.00 0.10 0.00 0.00 59.98 60.27 1n7p h ARG 480 Cb -0.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.02 1n7p h ARG 480 CO -0.06 0.66 0.05 0.78 0.10 0.00 0.00 179.97 181.50 1n7p h GLY 481 N 1.28 0.31 0.67 0.08 0.00 -1.12 -2.22 103.07 102.05 1n7p h GLY 481 Ca 0.01 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 47.22 1n7p h GLY 481 CO 0.07 0.17 0.43 -2.22 0.00 0.00 0.00 176.54 175.00 1n7p h ILE 482 N 0.11 0.98 -0.30 2.60 2.04 -0.87 -1.55 117.51 120.51 1n7p h ILE 482 Ca 0.06 -0.27 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 1n7p h ILE 482 Cb 0.25 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1n7p h ILE 482 CO -0.00 0.14 -0.33 -0.74 0.00 0.00 0.00 178.15 177.23 1n7p h HIS 483 N 0.79 0.75 -0.64 1.37 2.76 -1.09 -0.01 115.15 119.09 1n7p h HIS 483 Ca 0.34 -0.20 -0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1n7p h HIS 483 Cb 0.21 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1n7p h HIS 483 CO -0.06 0.89 0.14 0.00 -1.30 0.00 0.00 177.93 177.60 1n7p h ARG 484 N 0.55 1.02 -0.58 5.26 3.08 -1.04 -1.74 114.38 120.94 1n7p h ARG 484 Ca 0.06 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 1n7p h ARG 484 Cb 0.83 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1n7p h ARG 484 CO 0.07 0.92 0.18 0.82 -1.07 0.00 0.00 179.97 180.89 1n7p h ILE 485 N 0.97 1.24 -0.55 2.04 2.04 -0.82 -2.39 117.51 120.04 1n7p h ILE 485 Ca 0.20 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.30 1n7p h ILE 485 Cb 0.37 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1n7p h ILE 485 CO 0.00 0.30 0.28 0.00 0.00 0.00 0.00 178.15 178.74 1n7p h ALA 486 N 1.05 0.71 0.00 1.87 0.00 -0.81 -2.09 119.26 119.99 1n7p h ALA 486 Ca 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1n7p h ALA 486 Cb 0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n7p h ALA 486 CO -0.01 -0.06 -0.11 0.22 0.00 0.00 0.00 179.25 179.29 1n7p h ASP 487 N 0.54 0.00 -0.05 0.00 3.58 -0.87 -1.72 116.42 117.90 1n7p h ASP 487 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1n7p h ASP 487 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1n7p h ASP 487 CO -0.17 0.11 0.00 1.15 -2.88 0.00 0.00 179.24 177.45 1n7p n MET 488 N -4.07 1.97 -2.84 0.28 0.00 -0.94 -4.93 117.12 106.60 1n7p n MET 488 Ca -0.02 -1.42 -0.22 0.00 0.00 0.00 0.00 57.70 56.04 1n7p n MET 488 Cb 0.20 -1.47 0.09 0.00 0.00 0.00 0.00 33.22 32.04 1n7p n MET 488 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1n7p s SER 489 N -1.95 4.68 0.09 3.17 0.01 -0.65 -5.09 113.70 113.96 1n7p s SER 489 Ca 0.34 -0.68 -0.00 0.00 1.31 0.00 0.00 55.95 56.92 1n7p s SER 489 Cb 0.20 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 1n7p s SER 489 CO 0.32 -1.65 -0.02 -1.83 0.41 0.00 0.00 173.24 170.47 1n7p s GLU 490 N -4.91 0.77 6.69 12.44 -1.05 -1.26 -4.73 118.70 126.65 1n7p s GLU 490 Ca 0.65 -1.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.15 1n7p s GLU 490 Cb -0.05 0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.73 1n7p s GLU 490 CO 0.42 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.92 1n7p n GLY 491 N 0.00 2.99 0.18 -3.83 0.00 -1.26 -2.48 105.19 100.79 1n7p n GLY 491 Ca -0.11 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.61 1n7p n GLY 491 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n7p h GLU 492 N 0.00 0.08 0.01 1.61 4.57 -1.99 -1.49 114.58 117.37 1n7p h GLU 492 Ca 0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1n7p h GLU 492 Cb 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1n7p h GLU 492 CO 0.00 0.47 -0.01 1.15 -1.18 0.00 0.00 179.01 179.45 1n7p h THR 493 N 0.07 1.13 -0.31 0.32 2.02 -1.94 -1.73 112.91 112.47 1n7p h THR 493 Ca 0.00 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.77 1n7p h THR 493 Cb 0.75 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1n7p h THR 493 CO 0.06 0.12 0.11 0.50 0.37 0.00 0.00 175.52 176.67 1n7p h LYS 494 N -0.21 0.23 -0.32 6.66 3.64 -1.27 -2.48 116.57 122.83 1n7p h LYS 494 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1n7p h LYS 494 Cb 0.20 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1n7p h LYS 494 CO 0.00 0.16 0.17 1.96 -2.27 0.00 0.00 179.45 179.47 1n7p h GLN 495 N 0.24 0.45 -0.31 1.90 4.20 -1.23 -1.19 115.11 119.16 1n7p h GLN 495 Ca 0.14 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1n7p h GLN 495 Cb 0.11 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1n7p h GLN 495 CO -0.14 0.38 -0.30 0.07 -0.67 0.00 0.00 178.83 178.17 1n7p h ARG 496 N 0.40 0.66 -0.26 1.46 0.11 -1.28 -1.64 114.38 113.82 1n7p h ARG 496 Ca 0.11 -0.29 -0.19 0.00 0.10 0.00 0.00 59.98 59.72 1n7p h ARG 496 Cb 0.07 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1n7p h ARG 496 CO -0.02 0.88 -0.57 -0.07 0.10 0.00 0.00 179.97 180.29 1n7p h LEU 497 N 0.56 0.96 -0.70 0.08 3.38 -1.25 -1.17 115.31 117.17 1n7p h LEU 497 Ca 0.07 -0.55 0.11 0.00 0.09 0.00 0.00 57.88 57.60 1n7p h LEU 497 Cb 0.79 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1n7p h LEU 497 CO 0.07 1.33 0.29 1.56 0.09 0.00 0.00 178.44 181.78 1n7p h GLN 498 N 0.63 0.46 -0.51 1.13 4.20 -1.10 -1.72 115.11 118.19 1n7p h GLN 498 Ca 0.00 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 1n7p h GLN 498 Cb 1.18 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 1n7p h GLN 498 CO 0.13 0.30 -0.14 0.77 -0.67 0.00 0.00 178.83 179.22 1n7p h SER 499 N 0.47 1.00 0.05 1.46 0.02 -1.05 -1.59 113.55 113.91 1n7p h SER 499 Ca 0.36 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1n7p h SER 499 Cb 0.48 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 1n7p h SER 499 CO -0.34 1.13 -0.03 0.25 -1.14 0.00 0.00 176.83 176.70 1n7p h LEU 500 N 0.87 -0.08 -0.59 5.07 5.85 -0.90 -1.42 115.31 124.11 1n7p h LEU 500 Ca 0.13 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1n7p h LEU 500 Cb 0.71 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1n7p h LEU 500 CO 0.05 -0.06 0.37 0.58 -0.34 0.00 0.00 178.44 179.05 1n7p h VAL 501 N -0.09 1.11 -0.22 1.05 2.07 -1.20 -2.41 116.25 116.55 1n7p h VAL 501 Ca -0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1n7p h VAL 501 Cb 0.07 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1n7p h VAL 501 CO 0.00 0.14 0.09 0.50 0.02 0.00 0.00 177.57 178.32 1n7p h LYS 502 N 0.75 0.33 -0.23 1.57 3.64 -1.17 -1.25 116.57 120.21 1n7p h LYS 502 Ca 0.23 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1n7p h LYS 502 Cb -0.03 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1n7p h LYS 502 CO -0.08 0.38 -0.28 0.00 -2.27 0.00 0.00 179.45 177.20 1n7p h THR 503 N 0.21 1.27 -0.13 1.00 1.03 -1.22 -0.76 112.91 114.31 1n7p h THR 503 Ca 0.08 -1.32 -0.03 0.00 -0.01 0.00 0.00 66.41 65.12 1n7p h THR 503 Cb 0.17 1.41 -0.00 0.00 -1.07 0.00 0.00 68.15 68.65 1n7p h THR 503 CO -0.01 0.42 -0.04 0.40 -0.01 0.00 0.00 175.52 176.28 1n7p h ILE 504 N 0.40 1.29 -0.68 0.00 2.04 -1.09 -2.09 117.51 117.38 1n7p h ILE 504 Ca 0.05 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1n7p h ILE 504 Cb 0.71 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 1n7p h ILE 504 CO 0.05 0.29 0.40 0.58 0.00 0.00 0.00 178.15 179.47 1n7p h VAL 505 N -0.06 1.20 0.00 1.67 2.07 -1.16 -2.56 116.25 117.41 1n7p h VAL 505 Ca 0.03 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1n7p h VAL 505 Cb 0.46 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1n7p h VAL 505 CO 0.01 0.21 -0.10 1.56 0.02 0.00 0.00 177.57 179.27 1n7p h GLN 506 N 0.93 0.00 0.00 1.57 4.20 -1.05 -2.52 115.11 118.24 1n7p h GLN 506 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1n7p h GLN 506 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1n7p h GLN 506 CO -0.04 0.10 0.00 0.66 -0.67 0.00 0.00 178.83 178.88 1n7p h SER 507 N 0.00 0.00 -2.69 1.46 4.64 -0.95 -3.42 113.55 112.59 1n7p h SER 507 Ca -0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 1n7p h SER 507 Cb 0.73 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.64 1n7p h SER 507 CO 0.01 0.00 0.53 -0.62 -0.87 0.00 0.00 176.83 175.88 1n7p s ASP 508 N -4.68 6.39 0.00 4.97 -1.08 -0.95 -4.80 116.67 116.51 1n7p s ASP 508 Ca 0.07 -1.61 0.29 0.00 -0.52 0.00 0.00 52.55 50.79 1n7p s ASP 508 Cb 0.10 -2.37 1.25 0.00 -1.46 0.00 0.00 42.92 40.44 1n7p s ASP 508 CO 0.53 -1.17 1.88 -1.54 0.52 0.00 0.00 175.17 175.39 1n7p n SER 509 N 6.71 0.34 -0.12 -0.34 3.41 -1.26 -4.26 113.62 118.11 1n7p n SER 509 Ca 0.07 -0.40 -0.25 0.00 -0.26 0.00 0.00 58.87 58.03 1n7p n SER 509 Cb 0.46 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.18 1n7p n SER 509 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n7p n TYR 510 N -1.09 0.33 -4.64 7.33 9.36 -1.26 -4.98 117.16 122.21 1n7p n TYR 510 Ca 0.13 0.12 -0.33 0.00 3.32 0.00 0.00 57.90 61.14 1n7p n TYR 510 Cb 0.28 -1.04 -0.12 0.00 -0.63 0.00 0.00 39.34 37.83 1n7p n TYR 510 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1n7p s TYR 511 N -2.48 2.90 -0.50 2.98 5.04 -1.26 -5.08 117.35 118.95 1n7p s TYR 511 Ca -0.35 -0.20 -0.23 0.00 -2.44 0.00 0.00 57.07 53.84 1n7p s TYR 511 Cb 0.11 -1.78 0.03 0.00 0.35 0.00 0.00 41.96 40.67 1n7p s TYR 511 CO 0.56 0.12 0.85 0.34 -1.34 0.00 0.00 175.55 176.08 1n7p s ASP 512 N -0.30 6.38 0.43 4.32 2.15 -1.26 -4.91 116.67 123.47 1n7p s ASP 512 Ca 0.04 -0.25 0.21 0.00 0.43 0.00 0.00 52.55 52.98 1n7p s ASP 512 Cb -0.13 -2.41 1.17 0.00 -0.30 0.00 0.00 42.92 41.25 1n7p s ASP 512 CO 0.02 -1.06 1.83 1.62 -0.17 0.00 0.00 175.17 177.42 1n7p h VAL 513 N 6.00 0.60 0.00 1.11 3.04 -1.94 -0.39 116.25 124.67 1n7p h VAL 513 Ca -0.25 -0.11 -0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1n7p h VAL 513 Cb 1.08 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1n7p h VAL 513 CO 1.02 0.06 -0.02 -0.26 -1.01 0.00 0.00 177.57 177.36 1n7p h PHE 514 N 0.33 0.00 0.00 3.17 0.04 -1.93 -2.01 116.94 116.54 1n7p h PHE 514 Ca 0.51 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.28 1n7p h PHE 514 Cb 1.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.55 1n7p h PHE 514 CO -0.00 0.02 0.00 0.87 -0.60 0.00 0.00 178.31 178.60 1n7p h LYS 515 N 0.00 0.00 0.00 1.51 1.57 -1.48 -2.48 116.57 115.69 1n7p h LYS 515 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1n7p h LYS 515 Cb 0.10 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.24 1n7p h LYS 515 CO 0.00 0.00 -0.74 -1.71 -0.57 0.00 0.00 179.45 176.44 1n7p n ASN 516 N -2.55 1.40 -4.34 0.86 5.15 -0.76 -4.94 115.26 110.09 1n7p n ASN 516 Ca -0.01 -3.07 -0.38 0.00 -0.60 0.00 0.00 54.58 50.52 1n7p n ASN 516 Cb 0.09 -0.43 -0.12 0.00 -0.53 0.00 0.00 39.78 38.78 1n7p n ASN 516 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1n7p s LEU 517 N -1.82 4.15 -0.14 1.20 1.43 -0.93 -4.78 118.68 117.80 1n7p s LEU 517 Ca 0.36 -0.86 0.17 0.00 -1.03 0.00 0.00 54.13 52.76 1n7p s LEU 517 Cb 0.38 -1.91 0.37 0.00 0.03 0.00 0.00 46.19 45.06 1n7p s LEU 517 CO -0.11 -0.26 1.26 0.29 0.23 0.00 0.00 176.35 177.75 1n7p n LYS 518 N 4.88 2.15 -4.06 1.70 4.76 -1.26 -4.81 118.16 121.51 1n7p n LYS 518 Ca -0.13 -2.60 -0.08 0.00 -2.87 0.00 0.00 58.31 52.63 1n7p n LYS 518 Cb 0.47 -1.60 -0.10 0.00 -1.84 0.00 0.00 35.03 31.95 1n7p n LYS 518 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1n7p s THR 519 N -2.65 0.22 0.30 -0.18 -4.23 -1.26 -4.90 115.64 102.94 1n7p s THR 519 Ca 0.34 -1.54 0.09 0.00 -1.18 0.00 0.00 61.69 59.40 1n7p s THR 519 Cb 0.28 -1.14 0.03 0.00 1.34 0.00 0.00 72.50 73.01 1n7p s THR 519 CO 0.06 -0.83 1.70 1.88 -0.54 0.00 0.00 174.62 176.88 1n7p h TYR 520 N 3.61 0.15 -0.33 3.99 0.05 -1.68 -2.53 116.97 120.22 1n7p h TYR 520 Ca -0.34 -0.04 -0.12 0.00 0.05 0.00 0.00 58.73 58.28 1n7p h TYR 520 Cb 1.16 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 1n7p h TYR 520 CO 0.57 0.57 -0.30 -0.22 -1.05 0.00 0.00 178.16 177.73 1n7p h LYS 521 N 0.10 0.70 -0.60 4.88 3.11 -1.81 -0.46 116.57 122.49 1n7p h LYS 521 Ca 0.00 -0.31 -0.09 0.00 -2.81 0.00 0.00 60.65 57.44 1n7p h LYS 521 Cb 0.87 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.06 1n7p h LYS 521 CO 0.07 0.91 0.01 -0.44 -2.81 0.00 0.00 179.45 177.19 1n7p h ASP 522 N 0.59 1.01 -0.13 4.20 3.32 -1.87 -0.41 116.42 123.14 1n7p h ASP 522 Ca 0.07 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1n7p h ASP 522 Cb 0.81 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1n7p h ASP 522 CO 0.07 1.05 0.05 0.40 -1.72 0.00 0.00 179.24 179.09 1n7p h ILE 523 N 0.95 1.16 -0.57 0.35 2.04 -1.30 -2.49 117.51 117.67 1n7p h ILE 523 Ca 0.17 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1n7p h ILE 523 Cb 0.53 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1n7p h ILE 523 CO 0.03 0.15 0.38 -1.28 0.00 0.00 0.00 178.15 177.42 1n7p h SER 524 N 0.04 0.65 -0.55 1.72 0.87 -0.82 -0.99 113.55 114.47 1n7p h SER 524 Ca 0.04 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1n7p h SER 524 Cb 0.19 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1n7p h SER 524 CO -0.00 0.47 0.28 -0.07 -0.53 0.00 0.00 176.83 176.98 1n7p h LEU 525 N 0.77 0.70 -0.38 2.23 3.38 -1.07 -2.09 115.31 118.84 1n7p h LEU 525 Ca 0.21 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1n7p h LEU 525 Cb -0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1n7p h LEU 525 CO -0.05 0.61 -0.01 -0.03 0.09 0.00 0.00 178.44 179.05 1n7p h MET 526 N 0.74 0.68 -0.75 1.13 4.05 -0.96 -1.80 114.93 118.03 1n7p h MET 526 Ca 0.19 -0.23 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1n7p h MET 526 Cb 0.08 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 30.78 1n7p h MET 526 CO -0.03 0.79 0.48 1.96 0.23 0.00 0.00 176.91 180.35 1n7p h GLN 527 N 0.50 0.93 -0.10 0.39 4.20 -1.03 -1.28 115.11 118.73 1n7p h GLN 527 Ca 0.11 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.60 1n7p h GLN 527 Cb 0.49 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1n7p h GLN 527 CO 0.02 0.62 -0.62 0.66 -0.67 0.00 0.00 178.83 178.84 1n7p h SER 528 N 0.96 0.41 -0.01 1.46 4.64 -1.26 -2.60 113.55 117.15 1n7p h SER 528 Ca 0.29 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1n7p h SER 528 Cb -0.04 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1n7p h SER 528 CO -0.09 0.92 0.01 0.25 -0.87 0.00 0.00 176.83 177.05 1n7p h LEU 529 N 0.26 0.02 -1.40 5.97 5.85 -1.02 -1.67 115.31 123.32 1n7p h LEU 529 Ca -0.01 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1n7p h LEU 529 Cb 1.15 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1n7p h LEU 529 CO 0.10 0.09 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.93 1n7p h LEU 530 N -0.06 0.00 -0.52 2.25 3.38 -1.19 -2.99 115.31 116.18 1n7p h LEU 530 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n7p h LEU 530 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1n7p h LEU 530 CO -0.00 0.29 -0.57 -1.54 0.09 0.00 0.00 178.44 176.71 1n7p n SER 531 N -3.89 1.38 -4.54 -0.43 3.41 -0.99 -4.84 113.62 103.72 1n7p n SER 531 Ca -0.02 -1.11 -0.42 0.00 -0.26 0.00 0.00 58.87 57.07 1n7p n SER 531 Cb 0.37 0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 1n7p n SER 531 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n7p s ASP 532 N -2.68 6.24 0.63 4.04 -1.08 -0.64 -4.88 116.67 118.30 1n7p s ASP 532 Ca 0.16 -0.42 0.34 0.00 -0.52 0.00 0.00 52.55 52.11 1n7p s ASP 532 Cb 0.18 -2.52 1.92 0.00 -1.46 0.00 0.00 42.92 41.03 1n7p s ASP 532 CO 0.66 -1.62 2.17 0.00 0.52 0.00 0.00 175.17 176.89 1n7p h ALA 533 N 9.76 1.44 0.00 3.66 0.00 -1.88 -1.74 119.26 130.50 1n7p h ALA 533 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1n7p h ALA 533 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1n7p h ALA 533 CO 1.22 -0.17 0.00 0.78 0.00 0.00 0.00 179.25 181.08 1n7p h GLY 534 N 0.00 0.00 -7.15 0.00 0.00 -1.96 -3.41 103.07 90.55 1n7p h GLY 534 Ca 0.03 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.71 1n7p h GLY 534 CO -0.00 0.00 -0.00 0.14 0.00 0.00 0.00 176.54 176.68 1n7p s VAL 535 N -3.43 4.96 0.44 4.60 1.01 -0.66 -5.05 120.40 122.28 1n7p s VAL 535 Ca 0.04 0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.99 1n7p s VAL 535 Cb 0.09 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 1n7p s VAL 535 CO 0.48 -0.35 1.38 0.00 0.00 0.00 0.00 175.10 176.62 1n7p s ALA 536 N 2.51 3.22 -0.34 5.51 0.00 -1.26 -4.95 121.76 126.45 1n7p s ALA 536 Ca 0.20 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.53 1n7p s ALA 536 Cb -0.15 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.53 1n7p s ALA 536 CO 0.15 -1.08 0.17 0.45 0.00 0.00 0.00 175.76 175.45 1n7p s SER 537 N -0.61 3.49 -0.08 0.00 0.15 -1.26 -4.38 113.70 111.02 1n7p s SER 537 Ca 0.60 -1.90 0.04 0.00 0.70 0.00 0.00 55.95 55.40 1n7p s SER 537 Cb -0.42 -0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 63.27 1n7p s SER 537 CO 0.53 -0.36 -0.22 -0.69 1.20 0.00 0.00 173.24 173.70 1n7p s VAL 538 N 1.35 2.34 0.14 4.45 1.01 -1.26 -4.96 120.40 123.47 1n7p s VAL 538 Ca 0.14 -0.95 -0.33 0.00 0.00 0.00 0.00 61.98 60.83 1n7p s VAL 538 Cb -0.20 -1.89 -0.17 0.00 0.00 0.00 0.00 36.38 34.12 1n7p s VAL 538 CO -0.15 0.56 1.00 -2.65 0.00 0.00 0.00 175.10 173.86 1n7p n PRO 539 N 3.06 0.67 -1.76 2.72 -0.02 -1.26 -4.87 135.00 133.55 1n7p n PRO 539 Ca -0.18 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.14 1n7p n PRO 539 Cb 0.52 -1.63 0.02 0.00 -0.02 0.00 0.00 33.50 32.40 1n7p n PRO 539 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n7p n ARG 540 N 1.50 2.16 -2.04 -0.52 5.12 -1.26 -5.01 116.66 116.60 1n7p n ARG 540 Ca 0.17 0.77 -0.28 0.00 -1.93 0.00 0.00 57.85 56.58 1n7p n ARG 540 Cb 0.21 -2.62 0.09 0.00 -1.16 0.00 0.00 32.46 28.98 1n7p n ARG 540 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1n7p s THR 541 N -1.21 2.12 0.41 0.55 -1.32 -1.26 -4.68 115.64 110.25 1n7p s THR 541 Ca 0.63 -0.13 -0.25 0.00 -1.21 0.00 0.00 61.69 60.73 1n7p s THR 541 Cb -0.44 -2.99 -0.08 0.00 -1.51 0.00 0.00 72.50 67.47 1n7p s THR 541 CO 0.56 0.00 1.26 -0.44 -2.21 0.00 0.00 174.62 173.79 1n7p s SER 542 N -4.57 6.33 0.13 8.08 0.01 -1.26 -4.71 113.70 117.71 1n7p s SER 542 Ca 0.62 2.54 -0.14 0.00 1.31 0.00 0.00 55.95 60.29 1n7p s SER 542 Cb -0.10 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.52 1n7p s SER 542 CO 0.47 -0.82 0.36 -0.72 0.41 0.00 0.00 173.24 172.94 1n7p s TYR 543 N -1.32 -0.05 -0.15 2.43 -0.85 -0.74 -4.95 117.35 111.71 1n7p s TYR 543 Ca 0.58 -0.30 -0.05 0.00 -0.52 0.00 0.00 57.07 56.78 1n7p s TYR 543 Cb -0.35 0.17 0.08 0.00 0.38 0.00 0.00 41.96 42.23 1n7p s TYR 543 CO 0.45 -0.69 0.28 -1.17 -1.52 0.00 0.00 175.55 172.90 1n7p s LEU 544 N -2.84 -0.33 -0.22 -3.49 0.20 -1.18 -0.77 118.68 110.05 1n7p s LEU 544 Ca 0.06 0.49 -0.04 0.00 0.69 0.00 0.00 54.13 55.33 1n7p s LEU 544 Cb 0.02 0.75 -0.01 0.00 -0.43 0.00 0.00 46.19 46.52 1n7p s LEU 544 CO -0.09 -0.26 -0.03 -0.44 -0.29 0.00 0.00 176.35 175.24 1n7p s SER 545 N 2.44 4.47 -0.79 3.68 0.01 0.55 -4.86 113.70 119.20 1n7p s SER 545 Ca 0.03 -0.33 -0.16 0.00 1.31 0.00 0.00 55.95 56.79 1n7p s SER 545 Cb -0.13 -1.77 0.17 0.00 0.21 0.00 0.00 66.02 64.51 1n7p s SER 545 CO -0.10 0.00 0.82 0.00 0.41 0.00 0.00 173.24 174.37 1n7p s ALA 546 N 1.35 3.77 -1.43 1.44 0.00 -1.26 -1.20 121.76 124.43 1n7p s ALA 546 Ca 0.04 -2.95 -0.13 0.00 0.00 0.00 0.00 51.96 48.92 1n7p s ALA 546 Cb -0.14 -3.62 0.06 0.00 0.00 0.00 0.00 23.12 19.41 1n7p s ALA 546 CO -0.01 -2.43 2.20 1.19 0.00 0.00 0.00 175.76 176.71 1n7p n PHE 547 N 5.05 3.35 0.16 0.00 3.72 -0.10 -4.76 117.46 124.87 1n7p n PHE 547 Ca 0.10 -2.95 0.03 0.00 -0.05 0.00 0.00 57.45 54.59 1n7p n PHE 547 Cb 0.46 -2.43 0.41 0.00 -0.94 0.00 0.00 39.48 36.99 1n7p n PHE 547 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1n7p h ASN 548 N 5.88 0.12 0.42 4.37 2.35 -1.88 -0.85 115.58 125.98 1n7p h ASN 548 Ca 0.55 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 1n7p h ASN 548 Cb 0.61 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1n7p h ASN 548 CO 1.83 0.33 0.00 0.29 -1.65 0.00 0.00 177.43 178.23 1n7p n LYS 549 N -4.25 0.19 -0.17 0.81 4.76 -1.26 -2.69 118.16 115.54 1n7p n LYS 549 Ca -0.01 0.14 0.03 0.00 -2.87 0.00 0.00 58.31 55.59 1n7p n LYS 549 Cb 0.29 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 32.01 1n7p n LYS 549 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n7p n MET 550 N -1.34 0.93 -3.53 1.97 0.00 -0.67 -4.94 117.12 109.54 1n7p n MET 550 Ca 0.07 -1.39 -0.25 0.00 0.00 0.00 0.00 57.70 56.13 1n7p n MET 550 Cb 0.16 -0.86 0.05 0.00 0.00 0.00 0.00 33.22 32.57 1n7p n MET 550 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1n7p n ASP 551 N -0.47 -5.68 -4.27 3.17 8.00 -0.41 -4.71 116.55 112.17 1n7p n ASP 551 Ca 0.04 -0.53 -0.22 0.00 0.71 0.00 0.00 54.79 54.79 1n7p n ASP 551 Cb 0.55 -4.52 -0.12 0.00 -0.02 0.00 0.00 41.12 37.00 1n7p n ASP 551 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1n7p s LYS 552 N -6.23 1.10 -0.03 -1.24 -0.14 -1.06 -1.91 119.74 110.22 1n7p s LYS 552 Ca 0.53 -1.19 0.02 0.00 -1.36 0.00 0.00 55.97 53.97 1n7p s LYS 552 Cb -0.25 -1.25 0.01 0.00 -1.68 0.00 0.00 37.83 34.66 1n7p s LYS 552 CO 0.65 0.28 -0.07 0.99 -0.76 0.00 0.00 175.35 176.44 1n7p s THR 553 N -1.46 0.67 -0.08 2.17 2.01 -0.77 -0.93 115.64 117.26 1n7p s THR 553 Ca 0.07 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.84 1n7p s THR 553 Cb -0.09 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1n7p s THR 553 CO 0.04 0.23 -0.20 0.00 -0.69 0.00 0.00 174.62 174.00 1n7p s ALA 554 N 0.41 1.86 -0.02 7.40 0.00 -0.34 -0.98 121.76 130.08 1n7p s ALA 554 Ca -0.06 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1n7p s ALA 554 Cb -0.10 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 1n7p s ALA 554 CO 0.00 0.25 -0.10 1.41 0.00 0.00 0.00 175.76 177.32 1n7p s MET 555 N 0.35 1.04 -0.03 0.00 0.00 0.19 -0.33 119.30 120.52 1n7p s MET 555 Ca -0.15 -0.36 0.00 0.00 0.00 0.00 0.00 55.69 55.18 1n7p s MET 555 Cb -0.16 -0.96 0.03 0.00 0.00 0.00 0.00 34.83 33.73 1n7p s MET 555 CO 0.06 0.16 0.01 -0.47 0.00 0.00 0.00 175.02 174.79 1n7p s TYR 556 N 0.07 0.21 -0.32 4.11 5.04 0.05 -0.11 117.35 126.40 1n7p s TYR 556 Ca -0.01 0.05 -0.06 0.00 -2.44 0.00 0.00 57.07 54.61 1n7p s TYR 556 Cb -0.08 -0.36 0.03 0.00 0.35 0.00 0.00 41.96 41.90 1n7p s TYR 556 CO 0.00 -0.12 0.08 1.21 -1.34 0.00 0.00 175.55 175.38 1n7p s ASN 557 N 1.12 5.17 0.17 4.32 3.04 -0.16 -1.80 114.94 126.80 1n7p s ASN 557 Ca -0.08 -1.03 0.07 0.00 0.04 0.00 0.00 52.86 51.85 1n7p s ASN 557 Cb -0.13 -1.84 -0.03 0.00 -1.54 0.00 0.00 41.25 37.71 1n7p s ASN 557 CO -0.02 -0.28 1.38 0.00 -3.04 0.00 0.00 177.10 175.14 1n7p h ALA 558 N 8.19 0.54 -0.25 1.71 0.00 -1.84 0.14 119.26 127.75 1n7p h ALA 558 Ca -0.26 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 53.84 1n7p h ALA 558 Cb 1.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1n7p h ALA 558 CO 0.59 1.06 0.06 1.49 0.00 0.00 0.00 179.25 182.45 1n7p h GLU 559 N 0.02 0.41 0.00 0.00 4.81 -1.94 -3.29 114.58 114.58 1n7p h GLU 559 Ca -0.02 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1n7p h GLU 559 Cb 1.55 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.88 1n7p h GLU 559 CO 0.12 0.52 -1.79 1.63 -0.73 0.00 0.00 179.01 178.76 1n7p n LYS 560 N -4.71 0.65 -1.85 1.92 5.02 -1.25 -5.04 118.16 112.91 1n7p n LYS 560 Ca -0.03 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1n7p n LYS 560 Cb 0.19 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1n7p n LYS 560 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n7p n GLY 561 N 1.25 0.47 3.04 0.72 0.00 0.48 -4.95 105.19 106.20 1n7p n GLY 561 Ca -0.04 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 1n7p n GLY 561 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n7p s PHE 562 N -2.83 0.55 0.28 1.61 -0.12 -1.04 -4.64 117.98 111.78 1n7p s PHE 562 Ca 0.00 -0.55 0.10 0.00 -0.05 0.00 0.00 56.93 56.44 1n7p s PHE 562 Cb 0.00 -0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.00 1n7p s PHE 562 CO 0.00 -0.13 -0.06 0.20 -0.05 0.00 0.00 175.22 175.18 1n7p s GLY 563 N -1.65 1.80 -0.08 1.99 0.00 0.23 -0.98 107.32 108.63 1n7p s GLY 563 Ca -0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 42.80 1n7p s GLY 563 CO -0.01 -1.83 0.19 -0.12 0.00 0.00 0.00 173.10 171.34 1n7p s PHE 564 N -2.42 -0.23 -0.06 1.90 5.36 0.84 -0.86 117.98 122.51 1n7p s PHE 564 Ca 0.32 0.60 0.05 0.00 -0.96 0.00 0.00 56.93 56.94 1n7p s PHE 564 Cb -0.05 -0.01 -0.00 0.00 -0.34 0.00 0.00 43.02 42.61 1n7p s PHE 564 CO 0.18 -0.19 -0.21 0.20 -1.46 0.00 0.00 175.22 173.75 1n7p s GLY 565 N 1.09 1.11 -0.21 13.12 0.00 -0.47 -0.64 107.32 121.32 1n7p s GLY 565 Ca -0.08 -0.84 -0.00 0.00 0.00 0.00 0.00 44.72 43.79 1n7p s GLY 565 CO -0.06 -0.43 -0.14 -2.27 0.00 0.00 0.00 173.10 170.20 1n7p s LEU 566 N 0.05 2.57 -0.36 0.66 2.96 -0.15 -0.98 118.68 123.43 1n7p s LEU 566 Ca -0.07 -0.70 -0.06 0.00 -0.22 0.00 0.00 54.13 53.09 1n7p s LEU 566 Cb -0.14 -1.57 0.06 0.00 0.50 0.00 0.00 46.19 45.05 1n7p s LEU 566 CO 0.04 -0.04 0.14 -0.55 -1.32 0.00 0.00 176.35 174.61 1n7p s SER 567 N 1.32 5.30 0.48 3.68 0.15 0.00 -1.84 113.70 122.79 1n7p s SER 567 Ca 0.03 -1.39 0.03 0.00 0.70 0.00 0.00 55.95 55.31 1n7p s SER 567 Cb -0.14 -1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1n7p s SER 567 CO -0.09 -0.40 0.02 -0.76 1.20 0.00 0.00 173.24 173.21 1n7p s LEU 568 N 1.34 2.37 0.28 3.45 1.43 -0.80 -2.68 118.68 124.07 1n7p s LEU 568 Ca 0.00 -1.60 -0.10 0.00 -1.03 0.00 0.00 54.13 51.41 1n7p s LEU 568 Cb -0.21 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.31 1n7p s LEU 568 CO 0.01 -0.78 0.49 0.72 0.23 0.00 0.00 176.35 177.02 1n7p s PHE 569 N -2.89 0.56 0.00 0.29 -0.71 -1.22 -4.70 117.98 109.32 1n7p s PHE 569 Ca 0.13 -0.91 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 1n7p s PHE 569 Cb 0.03 0.15 0.00 0.00 -1.21 0.00 0.00 43.02 41.99 1n7p s PHE 569 CO 0.07 -1.07 0.00 -1.13 -1.34 0.00 0.00 175.22 171.75 1n7p n SER 570 N -0.76 0.00 0.22 1.98 3.41 -1.24 -4.85 113.62 112.37 1n7p n SER 570 Ca -0.01 -0.70 0.15 0.00 -0.26 0.00 0.00 58.87 58.05 1n7p n SER 570 Cb 0.62 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.30 1n7p n SER 570 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1n7p h SER 571 N 0.00 0.00 0.50 4.04 4.64 -1.13 -1.88 113.55 119.72 1n7p h SER 571 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n7p h SER 571 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1n7p h SER 571 CO 0.00 0.00 -0.88 0.54 -0.87 0.00 0.00 176.83 175.62 1n7p n ARG 572 N -2.60 0.23 -3.95 4.77 1.74 -1.26 -4.75 116.66 110.84 1n7p n ARG 572 Ca -0.00 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 56.99 1n7p n ARG 572 Cb 0.15 -1.59 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 1n7p n ARG 572 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1n7p s THR 573 N -3.15 0.09 0.26 0.55 -4.23 -0.90 -4.85 115.64 103.40 1n7p s THR 573 Ca 0.05 -0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 59.52 1n7p s THR 573 Cb 0.15 -0.24 -0.09 0.00 1.34 0.00 0.00 72.50 73.66 1n7p s THR 573 CO 0.78 -0.41 1.04 -0.22 -0.54 0.00 0.00 174.62 175.26 1n7p s LEU 574 N -1.23 4.59 0.04 4.79 2.96 -0.40 -3.68 118.68 125.74 1n7p s LEU 574 Ca -0.13 2.14 -0.25 0.00 -0.22 0.00 0.00 54.13 55.67 1n7p s LEU 574 Cb -0.08 -3.62 -0.17 0.00 0.50 0.00 0.00 46.19 42.81 1n7p s LEU 574 CO -0.01 -0.03 1.49 -0.55 -1.32 0.00 0.00 176.35 175.93 1n7p h ASN 575 N 4.00 -0.10 -5.01 3.68 7.08 -1.44 -3.45 115.58 120.35 1n7p h ASN 575 Ca -0.46 -0.20 -0.11 0.00 -3.08 0.00 0.00 56.30 52.46 1n7p h ASN 575 Cb 1.21 0.03 -0.19 0.00 -2.08 0.00 0.00 38.32 37.28 1n7p h ASN 575 CO 0.68 0.14 -0.23 -0.72 -2.08 0.00 0.00 177.43 175.22 1n7p s TYR 576 N -5.26 -0.19 -0.33 4.14 1.13 -1.26 -4.37 117.35 111.21 1n7p s TYR 576 Ca -0.14 0.23 -0.11 0.00 -1.41 0.00 0.00 57.07 55.63 1n7p s TYR 576 Cb 0.04 0.12 -0.01 0.00 -1.10 0.00 0.00 41.96 41.01 1n7p s TYR 576 CO 0.64 -0.44 0.19 -2.00 -2.51 0.00 0.00 175.55 171.43 1n7p s GLU 577 N -1.72 3.35 -0.31 -3.49 2.12 -1.26 -3.55 118.70 113.83 1n7p s GLU 577 Ca -0.11 -0.73 -0.03 0.00 0.36 0.00 0.00 54.97 54.47 1n7p s GLU 577 Cb -0.03 -3.68 0.05 0.00 0.26 0.00 0.00 34.13 30.72 1n7p s GLU 577 CO 0.02 -0.46 0.03 -1.58 -0.54 0.00 0.00 175.26 172.73 1n7p s HIS 578 N 1.65 3.27 -0.08 5.30 5.65 -1.26 -4.23 115.29 125.59 1n7p s HIS 578 Ca 0.05 -1.77 -0.22 0.00 0.25 0.00 0.00 55.06 53.37 1n7p s HIS 578 Cb -0.17 -2.17 0.05 0.00 -1.18 0.00 0.00 32.58 29.10 1n7p s HIS 578 CO 0.08 -0.79 0.51 1.41 -0.65 0.00 0.00 174.74 175.30 1n7p s MET 579 N 1.29 0.80 -1.53 2.88 0.00 -1.08 -4.84 119.30 116.82 1n7p s MET 579 Ca -0.04 0.22 -0.02 0.00 0.00 0.00 0.00 55.69 55.85 1n7p s MET 579 Cb -0.20 0.37 0.01 0.00 0.00 0.00 0.00 34.83 35.01 1n7p s MET 579 CO -0.00 -0.21 0.20 0.09 0.00 0.00 0.00 175.02 175.10 1n7p n ASN 580 N 1.54 -5.37 -0.98 1.11 3.02 -1.26 -1.77 115.26 111.56 1n7p n ASN 580 Ca -0.18 -0.07 -0.12 0.00 -0.03 0.00 0.00 54.58 54.17 1n7p n ASN 580 Cb 0.56 -4.44 -0.04 0.00 -0.61 0.00 0.00 39.78 35.25 1n7p n ASN 580 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1n7p n LYS 581 N -3.30 -0.84 -4.75 3.52 5.02 -1.26 -4.84 118.16 111.71 1n7p n LYS 581 Ca -0.17 0.87 -0.32 0.00 -2.02 0.00 0.00 58.31 56.67 1n7p n LYS 581 Cb 0.64 -4.90 -0.12 0.00 -0.02 0.00 0.00 35.03 30.63 1n7p n LYS 581 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1n7p s GLU 582 N -3.23 2.39 -0.78 1.97 2.02 -0.73 -1.21 118.70 119.13 1n7p s GLU 582 Ca 0.00 -0.78 -0.01 0.00 0.02 0.00 0.00 54.97 54.20 1n7p s GLU 582 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.89 1n7p s GLU 582 CO 0.00 0.60 0.66 -1.71 0.02 0.00 0.00 175.26 174.83 1n7p n ASN 583 N 1.95 -2.58 0.29 -0.19 5.15 0.67 -2.63 115.26 117.92 1n7p n ASN 583 Ca -0.16 -0.38 0.17 0.00 -0.60 0.00 0.00 54.58 53.60 1n7p n ASN 583 Cb 0.52 -3.43 0.88 0.00 -0.53 0.00 0.00 39.78 37.23 1n7p n ASN 583 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n7p h LYS 584 N -1.31 0.00 -0.22 1.20 1.57 -1.58 -3.15 116.57 113.08 1n7p h LYS 584 Ca -0.37 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.23 1n7p h LYS 584 Cb 1.22 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.35 1n7p h LYS 584 CO 0.33 0.05 -0.69 0.54 -0.57 0.00 0.00 179.45 179.11 1n7p n ARG 585 N -3.39 1.92 -0.11 3.15 1.74 -1.26 -4.50 116.66 114.22 1n7p n ARG 585 Ca -0.02 -3.38 0.02 0.00 -0.77 0.00 0.00 57.85 53.70 1n7p n ARG 585 Cb 0.19 -1.59 0.07 0.00 -1.02 0.00 0.00 32.46 30.11 1n7p n ARG 585 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n7p n GLY 586 N -0.78 0.39 0.30 -0.13 0.00 -1.19 -4.64 105.19 99.15 1n7p n GLY 586 Ca 0.23 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1n7p n GLY 586 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1n7p n TRP 587 N -0.02 0.42 -0.54 1.61 8.01 -1.26 -1.93 117.44 123.73 1n7p n TRP 587 Ca 0.05 1.05 0.07 0.00 -1.31 0.00 0.00 57.50 57.35 1n7p n TRP 587 Cb 0.23 -1.07 0.20 0.00 -2.01 0.00 0.00 31.31 28.66 1n7p n TRP 587 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1n7p n TYR 588 N -5.33 0.68 0.73 -5.99 4.01 -1.26 -4.66 117.16 105.33 1n7p n TYR 588 Ca 0.17 -0.67 0.08 0.00 -0.16 0.00 0.00 57.90 57.32 1n7p n TYR 588 Cb 0.54 -0.16 0.40 0.00 -0.31 0.00 0.00 39.34 39.81 1n7p n TYR 588 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1n7p n THR 589 N 0.05 0.61 -1.23 -0.72 -2.24 -0.81 -2.17 114.28 107.77 1n7p n THR 589 Ca 0.16 0.15 0.04 0.00 -2.27 0.00 0.00 64.05 62.13 1n7p n THR 589 Cb 0.64 -0.88 0.06 0.00 -2.10 0.00 0.00 70.33 68.05 1n7p n THR 589 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1n7p n SER 590 N -1.33 1.31 -2.28 3.42 7.64 -1.26 -4.55 113.62 116.56 1n7p n SER 590 Ca 0.07 -2.39 -0.22 0.00 1.01 0.00 0.00 58.87 57.34 1n7p n SER 590 Cb 0.14 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.04 1n7p n SER 590 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1n7p n ASP 591 N -0.70 6.28 -0.63 6.43 9.92 -0.92 -3.45 116.55 133.47 1n7p n ASP 591 Ca 0.07 -3.06 -0.04 0.00 -0.53 0.00 0.00 54.79 51.23 1n7p n ASP 591 Cb 0.60 -1.22 0.00 0.00 -0.64 0.00 0.00 41.12 39.86 1n7p n ASP 591 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1n7p n GLY 592 N 1.00 0.30 3.75 0.44 0.00 -1.11 -4.33 105.19 105.24 1n7p n GLY 592 Ca 0.43 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1n7p n GLY 592 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n7p s MET 593 N -4.45 4.57 0.20 1.61 0.00 -1.09 -3.96 119.30 116.18 1n7p s MET 593 Ca 0.03 1.83 0.10 0.00 0.00 0.00 0.00 55.69 57.65 1n7p s MET 593 Cb -0.01 -3.21 -0.04 0.00 0.00 0.00 0.00 34.83 31.56 1n7p s MET 593 CO 0.03 0.08 -0.14 -0.59 0.00 0.00 0.00 175.02 174.40 1n7p s PHE 594 N -0.68 2.50 -0.04 4.11 -0.71 -0.74 -0.82 117.98 121.60 1n7p s PHE 594 Ca 0.48 -0.28 0.06 0.00 -1.04 0.00 0.00 56.93 56.15 1n7p s PHE 594 Cb -0.32 -1.20 -0.01 0.00 -1.21 0.00 0.00 43.02 40.28 1n7p s PHE 594 CO 0.39 0.54 -0.23 0.71 -1.34 0.00 0.00 175.22 175.30 1n7p s TYR 595 N -1.85 2.13 -0.14 3.49 1.51 -0.15 -4.74 117.35 117.61 1n7p s TYR 595 Ca 0.25 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 1n7p s TYR 595 Cb -0.08 -1.40 0.01 0.00 -0.11 0.00 0.00 41.96 40.38 1n7p s TYR 595 CO 0.14 -0.13 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.08 1n7p s LEU 596 N -0.29 2.21 -0.38 -1.29 2.96 -1.26 -1.37 118.68 119.25 1n7p s LEU 596 Ca 0.02 -0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 1n7p s LEU 596 Cb -0.11 -1.47 0.08 0.00 0.50 0.00 0.00 46.19 45.18 1n7p s LEU 596 CO 0.01 0.09 0.18 -0.31 -1.32 0.00 0.00 176.35 175.01 1n7p s TYR 597 N 0.74 3.38 0.00 5.38 2.02 -0.04 -4.97 117.35 123.86 1n7p s TYR 597 Ca -0.08 -1.81 0.00 0.00 -0.37 0.00 0.00 57.07 54.80 1n7p s TYR 597 Cb -0.16 -2.79 0.00 0.00 -0.40 0.00 0.00 41.96 38.61 1n7p s TYR 597 CO 0.00 -0.86 0.00 0.27 -1.57 0.00 0.00 175.55 173.39 1n7p n ASN 598 N 4.76 1.10 0.15 2.29 0.23 -1.26 -0.60 115.26 121.94 1n7p n ASN 598 Ca -0.09 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.08 1n7p n ASN 598 Cb 0.43 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.67 1n7p n ASN 598 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1n7p h GLY 599 N 0.00 0.00 -7.63 4.83 0.00 -1.37 -3.31 103.07 95.59 1n7p h GLY 599 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1n7p h GLY 599 CO 0.00 0.00 1.68 -0.35 0.00 0.00 0.00 176.54 177.87 1n7p s ASP 600 N -4.28 6.81 0.59 0.19 2.15 -1.26 -4.83 116.67 116.04 1n7p s ASP 600 Ca 0.02 -2.36 0.33 0.00 0.43 0.00 0.00 52.55 50.97 1n7p s ASP 600 Cb 0.08 -2.51 1.85 0.00 -0.30 0.00 0.00 42.92 42.05 1n7p s ASP 600 CO 0.34 -1.11 2.22 -0.07 -0.17 0.00 0.00 175.17 176.38 1n7p h LEU 601 N 11.57 0.00 0.00 -1.34 4.07 -1.97 -2.59 115.31 125.05 1n7p h LEU 601 Ca 0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1n7p h LEU 601 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1n7p h LEU 601 CO 1.35 0.04 0.00 -1.54 -1.08 0.00 0.00 178.44 177.21 1n7p n SER 602 N -3.53 0.00 -0.14 -0.43 3.41 -1.26 -4.59 113.62 107.07 1n7p n SER 602 Ca -0.02 -0.30 -0.03 0.00 -0.26 0.00 0.00 58.87 58.26 1n7p n SER 602 Cb 0.14 -0.23 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 1n7p n SER 602 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1n7p h HIS 603 N 0.00 0.04 -0.42 7.33 6.17 -1.83 -0.29 115.15 126.16 1n7p h HIS 603 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1n7p h HIS 603 Cb 0.22 0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.20 1n7p h HIS 603 CO 0.00 -0.06 0.00 0.66 0.71 0.00 0.00 177.93 179.24 1n7p n TYR 604 N -5.17 0.69 -3.92 5.26 4.01 -1.26 -4.69 117.16 112.07 1n7p n TYR 604 Ca 0.04 -0.31 -0.01 0.00 -0.16 0.00 0.00 57.90 57.47 1n7p n TYR 604 Cb 0.24 -0.05 -0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1n7p n TYR 604 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1n7p n SER 605 N 0.71 1.85 -3.87 7.72 7.64 -0.12 -4.45 113.62 123.10 1n7p n SER 605 Ca 0.15 -1.04 -0.29 0.00 1.01 0.00 0.00 58.87 58.70 1n7p n SER 605 Cb 0.44 0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1n7p n SER 605 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1n7p n ASP 606 N -1.19 -4.43 0.00 6.43 8.00 -1.26 -2.52 116.55 121.58 1n7p n ASP 606 Ca -0.00 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1n7p n ASP 606 Cb 0.01 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 1n7p n ASP 606 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n7p n GLY 607 N -1.70 0.49 0.27 0.44 0.00 -1.26 -4.95 105.19 98.47 1n7p n GLY 607 Ca -0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 1n7p n GLY 607 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n7p h TYR 608 N 0.00 -0.61 -0.54 1.61 3.20 -1.71 -2.94 116.97 115.99 1n7p h TYR 608 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1n7p h TYR 608 Cb 0.10 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1n7p h TYR 608 CO 0.00 -0.31 0.23 -1.49 -1.64 0.00 0.00 178.16 174.95 1n7p h TRP 609 N -0.23 0.80 0.00 -3.82 4.06 -1.88 0.13 115.95 115.01 1n7p h TRP 609 Ca 0.14 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1n7p h TRP 609 Cb 0.45 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1n7p h TRP 609 CO -0.40 0.64 0.00 -0.35 -3.56 0.00 0.00 178.44 174.78 1n7p n PRO 610 N -4.54 0.27 -0.00 0.49 -0.04 -1.23 -4.01 135.00 125.94 1n7p n PRO 610 Ca 0.02 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1n7p n PRO 610 Cb 0.14 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1n7p n PRO 610 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1n7p n THR 611 N -1.35 0.00 -1.88 0.52 -2.24 -0.78 -4.07 114.28 104.49 1n7p n THR 611 Ca 0.11 -0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.28 1n7p n THR 611 Cb 0.23 0.44 0.01 0.00 -2.10 0.00 0.00 70.33 68.91 1n7p n THR 611 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n7p s VAL 612 N -2.42 2.24 -0.41 2.28 0.11 0.40 -4.65 120.40 117.95 1n7p s VAL 612 Ca -0.02 0.21 -0.29 0.00 -2.93 0.00 0.00 61.98 58.96 1n7p s VAL 612 Cb 0.05 -3.12 0.02 0.00 -1.53 0.00 0.00 36.38 31.80 1n7p s VAL 612 CO 0.34 0.03 1.17 0.21 -3.33 0.00 0.00 175.10 173.52 1n7p s ASN 613 N -0.60 6.68 0.04 3.54 3.84 -1.26 -4.90 114.94 122.28 1n7p s ASN 613 Ca 0.60 0.74 0.18 0.00 0.21 0.00 0.00 52.86 54.59 1n7p s ASN 613 Cb -0.42 -2.55 0.75 0.00 -0.55 0.00 0.00 41.25 38.49 1n7p s ASN 613 CO 0.54 -1.16 1.56 -0.81 -2.79 0.00 0.00 177.10 174.44 1n7p n PRO 614 N 7.56 0.03 0.07 0.43 -0.04 -1.26 -1.99 135.00 139.80 1n7p n PRO 614 Ca 0.13 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 1n7p n PRO 614 Cb 0.48 -1.56 0.39 0.00 -0.04 0.00 0.00 33.50 32.77 1n7p n PRO 614 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1n7p n TYR 615 N -1.62 0.61 -2.76 0.54 4.01 -1.26 -4.26 117.16 112.42 1n7p n TYR 615 Ca 0.04 0.18 -0.21 0.00 -0.16 0.00 0.00 57.90 57.75 1n7p n TYR 615 Cb 0.21 -0.75 -0.01 0.00 -0.31 0.00 0.00 39.34 38.48 1n7p n TYR 615 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1n7p n LYS 616 N -2.03 2.38 -2.04 -0.72 5.02 -0.84 -4.95 118.16 114.99 1n7p n LYS 616 Ca 0.05 -4.08 -0.41 0.00 -2.02 0.00 0.00 58.31 51.84 1n7p n LYS 616 Cb 0.41 -1.90 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1n7p n LYS 616 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1n7p s MET 617 N -3.22 4.28 0.24 1.97 -1.94 -1.26 -4.68 119.30 114.69 1n7p s MET 617 Ca 0.42 2.27 -0.31 0.00 -1.71 0.00 0.00 55.69 56.35 1n7p s MET 617 Cb 0.38 -3.14 -0.12 0.00 2.01 0.00 0.00 34.83 33.96 1n7p s MET 617 CO -0.10 -0.43 1.68 -2.14 -0.01 0.00 0.00 175.02 174.02 1n7p s PRO 618 N -0.03 4.12 0.00 2.03 0.02 -1.26 -2.16 135.00 137.72 1n7p s PRO 618 Ca 0.61 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.23 1n7p s PRO 618 Cb -0.41 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1n7p s PRO 618 CO 0.40 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1n7p n GLY 619 N 3.33 3.30 3.84 0.52 0.00 0.11 -1.80 105.19 114.49 1n7p n GLY 619 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1n7p n GLY 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n7p s THR 620 N -2.46 4.65 -0.23 2.61 -4.23 -0.92 -4.74 115.64 110.33 1n7p s THR 620 Ca 0.00 1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 61.50 1n7p s THR 620 Cb 0.00 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 1n7p s THR 620 CO 0.00 -0.13 -0.03 -0.89 -0.54 0.00 0.00 174.62 173.03 1n7p s THR 621 N -1.92 3.46 0.10 3.99 2.01 -1.26 -0.98 115.64 121.03 1n7p s THR 621 Ca 0.53 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 1n7p s THR 621 Cb -0.11 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1n7p s THR 621 CO 0.18 0.39 0.23 -1.61 -0.69 0.00 0.00 174.62 173.11 1n7p s GLU 622 N 1.49 0.89 0.68 4.92 0.41 -0.69 -4.97 118.70 121.43 1n7p s GLU 622 Ca 0.05 -0.93 -0.05 0.00 -0.41 0.00 0.00 54.97 53.63 1n7p s GLU 622 Cb -0.15 0.36 0.06 0.00 -1.78 0.00 0.00 34.13 32.63 1n7p s GLU 622 CO -0.03 -0.30 0.98 0.95 -0.49 0.00 0.00 175.26 176.37 1n7p s THR 623 N -3.86 2.33 -0.86 3.63 -4.23 -1.26 -1.74 115.64 109.66 1n7p s THR 623 Ca 0.05 -0.36 0.12 0.00 -1.18 0.00 0.00 61.69 60.33 1n7p s THR 623 Cb 0.04 -2.98 0.59 0.00 1.34 0.00 0.00 72.50 71.50 1n7p s THR 623 CO -0.11 0.00 1.44 -0.90 -0.54 0.00 0.00 174.62 174.51 1n7p n ASP 624 N -2.83 4.17 -4.69 3.99 5.75 -0.70 -4.96 116.55 117.28 1n7p n ASP 624 Ca 0.09 -2.51 -0.42 0.00 -0.01 0.00 0.00 54.79 51.94 1n7p n ASP 624 Cb 0.60 -0.57 0.01 0.00 -1.03 0.00 0.00 41.12 40.13 1n7p n ASP 624 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n7p n ALA 625 N 0.66 1.12 -1.75 2.12 0.00 -1.26 -4.96 120.51 116.44 1n7p n ALA 625 Ca 0.20 0.29 -0.40 0.00 0.00 0.00 0.00 53.44 53.53 1n7p n ALA 625 Cb 0.84 -2.23 0.02 0.00 0.00 0.00 0.00 19.45 18.07 1n7p n ALA 625 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1n7p n LYS 626 N 0.21 2.14 -4.68 0.00 4.81 -1.26 -5.05 118.16 114.33 1n7p n LYS 626 Ca 0.06 0.76 -0.29 0.00 -0.87 0.00 0.00 58.31 57.98 1n7p n LYS 626 Cb 0.38 -2.59 -0.14 0.00 0.02 0.00 0.00 35.03 32.71 1n7p n LYS 626 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1n7p s ARG 627 N -2.46 1.60 0.02 1.64 1.81 -1.26 -5.14 118.95 115.17 1n7p s ARG 627 Ca 0.62 -1.18 -0.21 0.00 -1.72 0.00 0.00 55.73 53.24 1n7p s ARG 627 Cb -0.45 -1.89 -0.06 0.00 -0.45 0.00 0.00 34.95 32.10 1n7p s ARG 627 CO 0.57 0.47 0.63 0.00 -0.68 0.00 0.00 175.30 176.29 1n7p s ALA 628 N -0.91 3.47 0.52 2.13 0.00 -1.26 -4.97 121.76 120.75 1n7p s ALA 628 Ca 0.12 0.09 0.17 0.00 0.00 0.00 0.00 51.96 52.34 1n7p s ALA 628 Cb -0.10 -2.79 1.30 0.00 0.00 0.00 0.00 23.12 21.53 1n7p s ALA 628 CO 0.03 0.17 2.15 -0.44 0.00 0.00 0.00 175.76 177.68 1n7p h ASP 629 N 5.50 0.00 0.72 0.00 3.32 -2.01 -2.64 116.42 121.31 1n7p h ASP 629 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1n7p h ASP 629 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1n7p h ASP 629 CO 0.69 0.01 0.00 -1.54 -1.72 0.00 0.00 179.24 176.68 1n7p n SER 630 N -4.48 0.02 -4.71 6.45 3.41 -1.26 -4.79 113.62 108.26 1n7p n SER 630 Ca -0.03 0.50 -0.31 0.00 -0.26 0.00 0.00 58.87 58.77 1n7p n SER 630 Cb 0.09 -0.51 0.13 0.00 -0.26 0.00 0.00 64.21 63.67 1n7p n SER 630 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1n7p s ASP 631 N -3.04 3.60 0.32 4.04 -0.00 -1.00 -5.06 116.67 115.54 1n7p s ASP 631 Ca 0.10 2.09 0.04 0.00 -0.00 0.00 0.00 52.55 54.78 1n7p s ASP 631 Cb 0.13 -2.56 -0.06 0.00 -0.00 0.00 0.00 42.92 40.44 1n7p s ASP 631 CO 0.38 -2.65 0.06 0.42 -0.00 0.00 0.00 175.17 173.38 1n7p s THR 632 N -2.65 1.14 0.93 -1.27 -4.23 -1.26 -4.85 115.64 103.45 1n7p s THR 632 Ca 0.66 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 1n7p s THR 632 Cb -0.22 -2.76 0.15 0.00 1.34 0.00 0.00 72.50 71.01 1n7p s THR 632 CO 0.55 -0.02 1.09 -0.83 -0.54 0.00 0.00 174.62 174.88 1n7p s GLY 633 N -3.47 1.62 0.07 3.99 0.00 -1.23 -5.03 107.32 103.27 1n7p s GLY 633 Ca 0.36 0.04 0.01 0.00 0.00 0.00 0.00 44.72 45.13 1n7p s GLY 633 CO 0.15 0.54 -0.05 0.54 0.00 0.00 0.00 173.10 174.28 1n7p s LYS 634 N -4.83 0.68 0.60 2.90 -0.14 -1.26 -4.94 119.74 112.75 1n7p s LYS 634 Ca 0.64 -1.15 -0.07 0.00 -1.36 0.00 0.00 55.97 54.03 1n7p s LYS 634 Cb -0.20 -0.07 0.01 0.00 -1.68 0.00 0.00 37.83 35.89 1n7p s LYS 634 CO 0.58 -0.04 0.93 0.14 -0.76 0.00 0.00 175.35 176.20 1n7p s VAL 635 N -3.18 3.70 0.15 3.17 -7.23 -1.26 -1.04 120.40 114.71 1n7p s VAL 635 Ca 0.05 0.09 -0.22 0.00 -1.81 0.00 0.00 61.98 60.09 1n7p s VAL 635 Cb 0.02 -3.48 -0.08 0.00 0.56 0.00 0.00 36.38 33.41 1n7p s VAL 635 CO -0.05 -0.52 0.70 -0.22 -0.31 0.00 0.00 175.10 174.70 1n7p s LEU 636 N -5.04 4.52 0.34 1.32 2.96 -0.76 -4.93 118.68 117.09 1n7p s LEU 636 Ca 0.54 1.47 0.08 0.00 -0.22 0.00 0.00 54.13 56.00 1n7p s LEU 636 Cb -0.11 -3.23 0.79 0.00 0.50 0.00 0.00 46.19 44.15 1n7p s LEU 636 CO 0.46 0.19 1.83 -0.65 -1.32 0.00 0.00 176.35 176.86 1n7p h PRO 637 N 4.18 0.70 -5.98 0.98 0.11 -1.92 -3.01 132.00 127.06 1n7p h PRO 637 Ca -0.48 -0.04 -0.61 0.00 0.11 0.00 0.00 66.00 64.98 1n7p h PRO 637 Cb 1.21 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1n7p h PRO 637 CO 0.65 0.46 -0.41 0.45 -0.21 0.00 0.00 178.00 178.95 1n7p s SER 638 N -5.61 6.44 0.00 -2.05 0.15 -1.26 -4.77 113.70 106.61 1n7p s SER 638 Ca -0.10 0.46 0.26 0.00 0.70 0.00 0.00 55.95 57.27 1n7p s SER 638 Cb 0.23 -2.04 0.58 0.00 -1.71 0.00 0.00 66.02 63.08 1n7p s SER 638 CO 0.80 0.17 1.46 0.00 1.20 0.00 0.00 173.24 176.86 1n7p n ALA 639 N 0.53 3.00 -2.31 5.45 0.00 -1.26 -1.52 120.51 124.40 1n7p n ALA 639 Ca -0.07 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 1n7p n ALA 639 Cb 0.52 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1n7p n ALA 639 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n7p n PHE 640 N -0.07 4.04 -3.68 0.00 7.35 -1.26 -3.77 117.46 120.07 1n7p n PHE 640 Ca 0.13 -2.96 -0.13 0.00 -0.76 0.00 0.00 57.45 53.73 1n7p n PHE 640 Cb 0.41 -2.42 -0.13 0.00 0.35 0.00 0.00 39.48 37.69 1n7p n PHE 640 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1n7p s VAL 641 N 2.78 -0.31 0.00 -2.13 1.01 -1.26 -1.76 120.40 118.73 1n7p s VAL 641 Ca 0.47 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1n7p s VAL 641 Cb 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1n7p s VAL 641 CO -0.00 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1n7p n GLY 642 N 5.05 0.73 3.12 4.51 0.00 -0.83 -4.77 105.19 113.00 1n7p n GLY 642 Ca -0.11 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 1n7p n GLY 642 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n7p s THR 643 N -2.00 1.52 -0.32 2.61 2.01 -1.26 -1.71 115.64 116.49 1n7p s THR 643 Ca 0.00 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 1n7p s THR 643 Cb 0.00 -1.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 1n7p s THR 643 CO 0.00 0.44 0.17 -0.55 -0.69 0.00 0.00 174.62 173.99 1n7p s SER 644 N 0.43 5.64 -0.20 3.53 0.15 0.62 -4.94 113.70 118.94 1n7p s SER 644 Ca -0.14 -0.58 -0.14 0.00 0.70 0.00 0.00 55.95 55.79 1n7p s SER 644 Cb -0.16 -2.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1n7p s SER 644 CO 0.05 -0.23 0.33 -0.75 1.20 0.00 0.00 173.24 173.85 1n7p s LYS 645 N 1.62 4.18 -0.17 5.44 2.20 -1.26 -0.99 119.74 130.76 1n7p s LYS 645 Ca 0.04 0.10 -0.18 0.00 -0.36 0.00 0.00 55.97 55.57 1n7p s LYS 645 Cb -0.17 -3.51 -0.14 0.00 -1.51 0.00 0.00 37.83 32.50 1n7p s LYS 645 CO 0.07 0.05 0.19 1.25 -0.36 0.00 0.00 175.35 176.55 1n7p h LEU 646 N 7.36 0.00 0.00 5.43 5.85 -1.57 -3.46 115.31 128.92 1n7p h LEU 646 Ca -0.38 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 57.93 1n7p h LEU 646 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1n7p h LEU 646 CO 0.72 1.13 0.00 -0.90 -0.34 0.00 0.00 178.44 179.04 1n7p n ASP 647 N -4.54 0.00 0.00 1.25 5.68 -1.14 -5.00 116.55 112.79 1n7p n ASP 647 Ca -0.19 -0.41 0.07 0.00 -0.50 0.00 0.00 54.79 53.76 1n7p n ASP 647 Cb 0.48 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.79 1n7p n ASP 647 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1n7p n ASP 648 N -0.81 0.00 0.00 -1.12 8.00 -1.26 -3.49 116.55 117.88 1n7p n ASP 648 Ca 0.00 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1n7p n ASP 648 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1n7p n ASP 648 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n7p n ALA 649 N -1.41 1.54 -3.54 2.24 0.00 -1.26 -3.11 120.51 114.96 1n7p n ALA 649 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.30 1n7p n ALA 649 Cb 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.43 1n7p n ALA 649 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1n7p s ASN 650 N -1.31 0.87 0.19 0.00 0.01 -1.23 -0.53 114.94 112.94 1n7p s ASN 650 Ca 0.00 -0.12 -0.23 0.00 -0.71 0.00 0.00 52.86 51.80 1n7p s ASN 650 Cb 0.00 -0.40 0.06 0.00 0.41 0.00 0.00 41.25 41.32 1n7p s ASN 650 CO 0.00 -0.04 0.66 0.00 -1.51 0.00 0.00 177.10 176.21 1n7p s ALA 651 N 0.79 -1.50 0.00 0.60 0.00 -0.69 -1.49 121.76 119.47 1n7p s ALA 651 Ca -0.10 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1n7p s ALA 651 Cb -0.13 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1n7p s ALA 651 CO 0.00 -0.85 -0.09 0.99 0.00 0.00 0.00 175.76 175.80 1n7p s THR 652 N -3.75 0.74 0.09 0.00 2.01 -0.16 -0.69 115.64 113.87 1n7p s THR 652 Ca 0.04 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1n7p s THR 652 Cb -0.02 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1n7p s THR 652 CO -0.06 0.13 -0.07 0.00 -0.69 0.00 0.00 174.62 173.92 1n7p s ALA 653 N -0.37 0.91 0.09 7.40 0.00 0.16 -0.28 121.76 129.67 1n7p s ALA 653 Ca 0.02 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 1n7p s ALA 653 Cb -0.04 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1n7p s ALA 653 CO -0.00 -0.16 0.10 -0.08 0.00 0.00 0.00 175.76 175.62 1n7p s THR 654 N -2.95 0.15 -0.14 0.00 -1.32 -0.69 -0.86 115.64 109.83 1n7p s THR 654 Ca 0.06 -1.55 -0.05 0.00 -1.21 0.00 0.00 61.69 58.94 1n7p s THR 654 Cb 0.01 -1.59 0.07 0.00 -1.51 0.00 0.00 72.50 69.48 1n7p s THR 654 CO -0.03 -0.70 0.27 -0.32 -2.21 0.00 0.00 174.62 171.63 1n7p s MET 655 N -3.93 0.16 -1.17 7.08 0.00 -0.02 -1.97 119.30 119.46 1n7p s MET 655 Ca 0.10 0.73 -0.20 0.00 0.00 0.00 0.00 55.69 56.33 1n7p s MET 655 Cb 0.06 -0.08 0.07 0.00 0.00 0.00 0.00 34.83 34.89 1n7p s MET 655 CO -0.07 -0.30 1.57 0.34 0.00 0.00 0.00 175.02 176.56 1n7p s ASP 656 N 2.42 6.72 -0.00 1.11 2.15 -0.72 -2.12 116.67 126.22 1n7p s ASP 656 Ca 0.02 -2.09 -0.26 0.00 0.43 0.00 0.00 52.55 50.64 1n7p s ASP 656 Cb -0.12 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 1n7p s ASP 656 CO -0.09 -1.26 0.81 0.12 -0.17 0.00 0.00 175.17 174.58 1n7p s PHE 657 N 4.22 3.66 0.00 -5.34 5.36 -0.39 -4.66 117.98 120.83 1n7p s PHE 657 Ca 0.49 1.47 0.04 0.00 -0.96 0.00 0.00 56.93 57.97 1n7p s PHE 657 Cb 0.01 -2.91 -0.01 0.00 -0.34 0.00 0.00 43.02 39.78 1n7p s PHE 657 CO -0.00 0.13 -0.13 0.99 -1.46 0.00 0.00 175.22 174.75 1n7p s THR 658 N 0.53 0.99 0.93 0.12 2.01 -1.26 -1.86 115.64 117.10 1n7p s THR 658 Ca 0.42 -0.62 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 1n7p s THR 658 Cb -0.20 -0.85 0.19 0.00 0.01 0.00 0.00 72.50 71.65 1n7p s THR 658 CO 0.23 0.21 1.28 0.54 -0.69 0.00 0.00 174.62 176.19 1n7p s ASN 659 N -0.47 3.29 0.49 3.53 4.22 -0.39 -4.92 114.94 120.68 1n7p s ASN 659 Ca 0.04 0.20 0.19 0.00 -2.14 0.00 0.00 52.86 51.15 1n7p s ASN 659 Cb -0.05 -0.29 1.22 0.00 1.28 0.00 0.00 41.25 43.41 1n7p s ASN 659 CO -0.00 -2.61 2.05 4.11 -2.04 0.00 0.00 177.10 178.61 1n7p h TRP 660 N -1.50 0.00 -0.18 1.54 5.08 -1.99 -2.34 115.95 116.57 1n7p h TRP 660 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.54 1n7p h TRP 660 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 1n7p h TRP 660 CO -1.01 0.13 0.00 0.27 -1.28 0.00 0.00 178.44 176.55 1n7p n ASN 661 N -4.14 3.10 -3.79 0.11 6.94 -1.26 -5.00 115.26 111.22 1n7p n ASN 661 Ca -0.02 -2.76 -0.26 0.00 -0.02 0.00 0.00 54.58 51.52 1n7p n ASN 661 Cb 0.21 -0.40 0.03 0.00 -2.36 0.00 0.00 39.78 37.26 1n7p n ASN 661 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n7p n GLN 662 N -0.59 -5.43 -0.00 -3.83 3.00 -0.88 -4.90 117.38 104.76 1n7p n GLN 662 Ca 0.16 0.63 0.05 0.00 -0.01 0.00 0.00 57.00 57.82 1n7p n GLN 662 Cb 0.68 -5.38 -0.06 0.00 0.00 0.00 0.00 30.24 25.48 1n7p n GLN 662 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1n7p n THR 663 N -4.51 0.00 -3.88 5.09 -2.24 -1.26 -4.95 114.28 102.53 1n7p n THR 663 Ca -0.12 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 1n7p n THR 663 Cb 0.60 0.94 -0.14 0.00 -2.10 0.00 0.00 70.33 69.63 1n7p n THR 663 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1n7p s LEU 664 N -2.55 1.83 0.20 3.22 0.20 -1.26 -0.91 118.68 119.40 1n7p s LEU 664 Ca 0.03 -0.00 0.07 0.00 0.69 0.00 0.00 54.13 54.92 1n7p s LEU 664 Cb 0.07 -0.04 -0.05 0.00 -0.43 0.00 0.00 46.19 45.75 1n7p s LEU 664 CO 0.39 -0.02 -0.12 0.42 -0.29 0.00 0.00 176.35 176.73 1n7p s THR 665 N 0.19 1.58 -0.21 3.68 -4.23 -0.82 -1.26 115.64 114.57 1n7p s THR 665 Ca -0.02 -2.17 -0.27 0.00 -1.18 0.00 0.00 61.69 58.06 1n7p s THR 665 Cb -0.03 -2.05 0.09 0.00 1.34 0.00 0.00 72.50 71.86 1n7p s THR 665 CO -0.01 -0.60 0.81 0.00 -0.54 0.00 0.00 174.62 174.29 1n7p s ALA 666 N -3.07 -1.83 -0.61 3.99 0.00 -0.78 -2.37 121.76 117.09 1n7p s ALA 666 Ca 0.22 1.80 -0.23 0.00 0.00 0.00 0.00 51.96 53.75 1n7p s ALA 666 Cb 0.01 -0.93 0.06 0.00 0.00 0.00 0.00 23.12 22.25 1n7p s ALA 666 CO 0.06 -0.32 0.94 -1.01 0.00 0.00 0.00 175.76 175.42 1n7p s HIS 667 N -0.14 2.74 -0.16 0.00 3.76 -0.36 -1.26 115.29 119.86 1n7p s HIS 667 Ca -0.02 -0.33 -0.06 0.00 -0.15 0.00 0.00 55.06 54.51 1n7p s HIS 667 Cb -0.03 -4.15 -0.04 0.00 1.11 0.00 0.00 32.58 29.47 1n7p s HIS 667 CO 0.01 -1.49 0.04 0.15 -0.85 0.00 0.00 174.74 172.60 1n7p s LYS 668 N 3.94 3.76 0.05 1.40 1.02 -0.90 -1.69 119.74 127.32 1n7p s LYS 668 Ca 0.25 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 55.88 1n7p s LYS 668 Cb -0.15 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1n7p s LYS 668 CO 0.14 0.36 -0.05 -1.12 -0.92 0.00 0.00 175.35 173.76 1n7p s SER 669 N 0.10 0.61 -0.02 2.83 0.01 0.24 -0.84 113.70 116.64 1n7p s SER 669 Ca 0.04 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 56.59 1n7p s SER 669 Cb -0.12 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.22 1n7p s SER 669 CO 0.01 -0.38 -0.06 0.26 0.41 0.00 0.00 173.24 173.48 1n7p s TRP 670 N -2.44 0.67 -0.40 2.43 0.51 -0.04 -1.28 118.94 118.39 1n7p s TRP 670 Ca -0.04 -0.15 0.03 0.00 -2.12 0.00 0.00 56.10 53.82 1n7p s TRP 670 Cb -0.03 -0.51 0.11 0.00 -0.81 0.00 0.00 33.47 32.24 1n7p s TRP 670 CO -0.04 -0.08 0.14 -0.06 -0.51 0.00 0.00 176.95 176.40 1n7p s PHE 671 N 0.29 2.97 -0.43 -1.98 0.40 -0.23 -0.66 117.98 118.33 1n7p s PHE 671 Ca -0.04 -2.74 -0.25 0.00 -0.60 0.00 0.00 56.93 53.30 1n7p s PHE 671 Cb -0.08 -2.52 0.02 0.00 0.51 0.00 0.00 43.02 40.95 1n7p s PHE 671 CO -0.00 -0.85 0.89 -1.64 0.70 0.00 0.00 175.22 174.32 1n7p s MET 672 N 0.61 3.60 -0.53 0.44 -1.94 0.14 -1.33 119.30 120.29 1n7p s MET 672 Ca 0.13 0.22 0.07 0.00 -1.71 0.00 0.00 55.69 54.40 1n7p s MET 672 Cb -0.21 -3.89 0.33 0.00 2.01 0.00 0.00 34.83 33.06 1n7p s MET 672 CO -0.07 -1.12 0.85 1.28 -0.01 0.00 0.00 175.02 175.95 1n7p n LEU 673 N 6.96 3.31 0.00 -0.03 4.77 -0.48 -1.70 117.00 129.83 1n7p n LEU 673 Ca 0.05 -5.45 0.00 0.00 -0.03 0.00 0.00 56.01 50.59 1n7p n LEU 673 Cb 0.48 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1n7p n LEU 673 CO 0.61 2.30 0.00 1.17 -1.33 0.00 0.00 177.39 180.14 1n7p n LYS 674 N 0.08 0.00 -0.06 3.23 4.81 0.31 -3.64 118.16 122.89 1n7p n LYS 674 Ca 0.29 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.82 1n7p n LYS 674 Cb 0.47 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.64 1n7p n LYS 674 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1n7p n ASP 675 N 2.53 2.32 -3.57 3.14 5.75 -1.26 -4.79 116.55 120.66 1n7p n ASP 675 Ca 0.00 -2.99 -0.05 0.00 -0.01 0.00 0.00 54.79 51.74 1n7p n ASP 675 Cb 0.00 -0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 39.68 1n7p n ASP 675 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1n7p s LYS 676 N -2.71 0.62 -0.05 0.11 -2.85 -1.24 -4.34 119.74 109.29 1n7p s LYS 676 Ca 0.29 -0.26 -0.01 0.00 -1.00 0.00 0.00 55.97 54.99 1n7p s LYS 676 Cb 0.25 0.27 0.03 0.00 -2.06 0.00 0.00 37.83 36.32 1n7p s LYS 676 CO 0.03 -0.28 0.01 0.42 0.10 0.00 0.00 175.35 175.63 1n7p s ILE 677 N -2.81 0.18 0.07 3.79 1.09 -0.75 -1.38 121.20 121.40 1n7p s ILE 677 Ca 0.08 0.17 -0.15 0.00 -1.10 0.00 0.00 60.65 59.66 1n7p s ILE 677 Cb -0.00 -0.33 -0.06 0.00 -1.06 0.00 0.00 42.46 41.00 1n7p s ILE 677 CO -0.06 0.19 0.48 0.00 -0.10 0.00 0.00 174.94 175.45 1n7p s ALA 678 N 1.58 3.65 -0.24 9.38 0.00 -0.44 -0.59 121.76 135.10 1n7p s ALA 678 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 1n7p s ALA 678 Cb -0.13 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.57 1n7p s ALA 678 CO -0.03 0.47 -0.08 -0.06 0.00 0.00 0.00 175.76 176.06 1n7p s PHE 679 N -1.25 3.05 -0.05 0.00 0.40 0.43 -1.07 117.98 119.50 1n7p s PHE 679 Ca 0.30 -1.61 0.05 0.00 -0.60 0.00 0.00 56.93 55.08 1n7p s PHE 679 Cb -0.16 -2.04 -0.02 0.00 0.51 0.00 0.00 43.02 41.32 1n7p s PHE 679 CO 0.17 -0.75 -0.22 -0.51 0.70 0.00 0.00 175.22 174.61 1n7p s LEU 680 N 1.31 2.26 -0.02 -0.37 1.43 -0.40 -1.71 118.68 121.18 1n7p s LEU 680 Ca 0.00 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1n7p s LEU 680 Cb -0.16 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1n7p s LEU 680 CO -0.05 0.28 -0.07 -0.83 0.23 0.00 0.00 176.35 175.90 1n7p s GLY 681 N -0.34 0.41 0.25 -3.19 0.00 -0.12 -0.59 107.32 103.74 1n7p s GLY 681 Ca 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.49 1n7p s GLY 681 CO 0.02 -0.09 0.14 -1.35 0.00 0.00 0.00 173.10 171.82 1n7p s SER 682 N 0.10 0.86 -1.48 1.64 1.04 -0.68 -0.98 113.70 114.20 1n7p s SER 682 Ca -0.01 -1.46 -0.06 0.00 0.48 0.00 0.00 55.95 54.90 1n7p s SER 682 Cb -0.06 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.41 1n7p s SER 682 CO -0.00 -0.84 0.78 -3.20 0.98 0.00 0.00 173.24 170.95 1n7p n ASN 683 N -0.59 -6.18 -4.65 7.02 4.05 -1.17 -1.23 115.26 112.51 1n7p n ASN 683 Ca 0.02 -0.36 -0.43 0.00 0.45 0.00 0.00 54.58 54.26 1n7p n ASN 683 Cb 0.65 -4.94 -0.03 0.00 1.23 0.00 0.00 39.78 36.70 1n7p n ASN 683 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1n7p s ILE 684 N -3.22 4.70 0.03 -1.44 1.01 -0.87 -4.13 121.20 117.28 1n7p s ILE 684 Ca 0.39 1.84 0.02 0.00 0.00 0.00 0.00 60.65 62.89 1n7p s ILE 684 Cb -0.17 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 1n7p s ILE 684 CO 0.48 -0.20 -0.06 -1.10 0.00 0.00 0.00 174.94 174.06 1n7p s GLN 685 N 3.17 0.45 -0.12 2.79 -0.21 -1.00 -1.10 119.66 123.65 1n7p s GLN 685 Ca 0.41 -0.64 -0.04 0.00 0.02 0.00 0.00 55.36 55.12 1n7p s GLN 685 Cb -0.15 -0.21 0.06 0.00 1.00 0.00 0.00 33.01 33.71 1n7p s GLN 685 CO 0.08 0.03 0.20 1.21 -2.12 0.00 0.00 175.29 174.69 1n7p s ASN 686 N -1.35 0.76 0.00 5.90 2.47 -1.26 -1.94 114.94 119.53 1n7p s ASN 686 Ca -0.10 0.30 0.20 0.00 0.42 0.00 0.00 52.86 53.69 1n7p s ASN 686 Cb -0.09 0.41 0.12 0.00 -1.45 0.00 0.00 41.25 40.24 1n7p s ASN 686 CO 0.00 -0.26 1.11 0.35 -3.72 0.00 0.00 177.10 174.58 1n7p n THR 687 N 5.33 0.00 -2.54 -5.21 -2.24 -0.09 -4.95 114.28 104.58 1n7p n THR 687 Ca -0.05 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 61.04 1n7p n THR 687 Cb 0.50 1.38 0.10 0.00 -2.10 0.00 0.00 70.33 70.21 1n7p n THR 687 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n7p s SER 688 N -1.83 4.46 -0.01 3.42 1.04 -1.26 -5.01 113.70 114.52 1n7p s SER 688 Ca 0.22 -0.22 0.20 0.00 0.48 0.00 0.00 55.95 56.63 1n7p s SER 688 Cb 0.17 -0.24 0.58 0.00 0.10 0.00 0.00 66.02 66.63 1n7p s SER 688 CO 0.31 -1.77 1.49 0.35 0.98 0.00 0.00 173.24 174.59 1n7p n THR 689 N -2.81 0.92 -2.60 2.02 -2.24 -1.26 -4.93 114.28 103.38 1n7p n THR 689 Ca 0.13 -0.89 -0.30 0.00 -2.27 0.00 0.00 64.05 60.73 1n7p n THR 689 Cb 0.60 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 1n7p n THR 689 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n7p s ASP 690 N -0.99 6.45 0.32 3.42 1.01 -1.26 -5.06 116.67 120.55 1n7p s ASP 690 Ca 0.44 1.21 -0.13 0.00 0.71 0.00 0.00 52.55 54.77 1n7p s ASP 690 Cb 0.23 -2.36 -0.08 0.00 1.01 0.00 0.00 42.92 41.72 1n7p s ASP 690 CO 0.29 -0.53 0.71 0.42 0.21 0.00 0.00 175.17 176.27 1n7p s THR 691 N -2.60 4.74 0.04 -1.27 -4.23 -1.26 -4.84 115.64 106.22 1n7p s THR 691 Ca 0.52 0.82 0.05 0.00 -1.18 0.00 0.00 61.69 61.90 1n7p s THR 691 Cb -0.10 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 1n7p s THR 691 CO 0.37 -0.21 -0.11 0.00 -0.54 0.00 0.00 174.62 174.13 1n7p s ALA 692 N -2.01 2.88 0.12 3.99 0.00 -1.26 -1.72 121.76 123.76 1n7p s ALA 692 Ca 0.53 -1.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.13 1n7p s ALA 692 Cb -0.10 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 22.13 1n7p s ALA 692 CO 0.20 0.61 0.58 0.00 0.00 0.00 0.00 175.76 177.14 1n7p s ALA 693 N -1.03 -1.51 -0.16 0.00 0.00 -0.71 -0.64 121.76 117.71 1n7p s ALA 693 Ca 0.17 0.53 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 1n7p s ALA 693 Cb -0.11 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 1n7p s ALA 693 CO 0.08 -0.68 -0.00 0.99 0.00 0.00 0.00 175.76 176.15 1n7p s THR 694 N -3.31 4.21 -0.41 0.00 2.01 -0.32 -1.71 115.64 116.11 1n7p s THR 694 Ca -0.01 -0.24 -0.28 0.00 0.31 0.00 0.00 61.69 61.47 1n7p s THR 694 Cb -0.00 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.66 1n7p s THR 694 CO -0.09 0.48 1.04 -0.89 -0.69 0.00 0.00 174.62 174.47 1n7p s THR 695 N 0.36 4.41 0.08 -0.82 2.01 -0.15 -1.30 115.64 120.23 1n7p s THR 695 Ca -0.02 1.29 -0.16 0.00 0.31 0.00 0.00 61.69 63.11 1n7p s THR 695 Cb -0.14 -4.47 -0.11 0.00 0.01 0.00 0.00 72.50 67.80 1n7p s THR 695 CO 0.02 -0.73 1.38 0.40 -0.69 0.00 0.00 174.62 175.00 1n7p h ILE 696 N 5.98 1.32 -2.95 1.82 2.04 -0.90 0.31 117.51 125.13 1n7p h ILE 696 Ca -0.22 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.08 1n7p h ILE 696 Cb 1.07 1.73 -0.13 0.00 -0.74 0.00 0.00 36.82 38.75 1n7p h ILE 696 CO 1.05 0.48 0.13 -0.62 0.00 0.00 0.00 178.15 179.19 1n7p s ASP 697 N -6.54 -0.49 -0.33 1.72 -1.08 -0.97 -4.23 116.67 104.75 1n7p s ASP 697 Ca -0.13 0.03 -0.01 0.00 -0.52 0.00 0.00 52.55 51.93 1n7p s ASP 697 Cb 0.08 0.55 0.13 0.00 -1.46 0.00 0.00 42.92 42.22 1n7p s ASP 697 CO 0.82 -0.88 0.24 -1.58 0.52 0.00 0.00 175.17 174.30 1n7p s GLN 698 N -3.33 0.42 -0.18 4.34 0.74 -1.25 -0.93 119.66 119.47 1n7p s GLN 698 Ca -0.01 -0.75 -0.05 0.00 0.05 0.00 0.00 55.36 54.60 1n7p s GLN 698 Cb -0.00 -1.00 -0.03 0.00 1.10 0.00 0.00 33.01 33.08 1n7p s GLN 698 CO -0.09 -1.12 -0.01 0.50 -0.55 0.00 0.00 175.29 174.02 1n7p s ARG 699 N 1.71 3.67 -0.01 1.67 6.06 0.06 -4.85 118.95 127.26 1n7p s ARG 699 Ca 0.13 -0.50 -0.30 0.00 -2.50 0.00 0.00 55.73 52.56 1n7p s ARG 699 Cb -0.17 -3.02 -0.03 0.00 0.06 0.00 0.00 34.95 31.78 1n7p s ARG 699 CO -0.18 0.13 1.04 0.21 -2.50 0.00 0.00 175.30 174.01 1n7p s LYS 700 N 0.69 4.50 0.34 5.12 2.36 -1.26 -1.00 119.74 130.48 1n7p s LYS 700 Ca -0.01 1.50 0.05 0.00 -2.55 0.00 0.00 55.97 54.96 1n7p s LYS 700 Cb -0.14 -3.46 -0.01 0.00 -1.05 0.00 0.00 37.83 33.17 1n7p s LYS 700 CO 0.02 -0.16 0.50 -0.51 1.55 0.00 0.00 175.35 176.75 1n7p s LEU 701 N 1.25 3.98 -0.20 5.43 1.43 0.19 -4.95 118.68 125.81 1n7p s LEU 701 Ca 0.53 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 1n7p s LEU 701 Cb -0.23 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 1n7p s LEU 701 CO 0.26 -0.41 -0.06 -1.61 0.23 0.00 0.00 176.35 174.76 1n7p s GLU 702 N -4.23 3.36 0.52 1.70 2.02 -1.26 -4.64 118.70 116.16 1n7p s GLU 702 Ca 0.43 -0.64 0.24 0.00 0.02 0.00 0.00 54.97 55.01 1n7p s GLU 702 Cb -0.10 -2.93 1.40 0.00 0.10 0.00 0.00 34.13 32.61 1n7p s GLU 702 CO 0.32 -0.14 2.10 0.66 0.02 0.00 0.00 175.26 178.22 1n7p h SER 703 N 7.89 0.00 0.99 -0.19 4.64 -1.99 -2.01 113.55 122.89 1n7p h SER 703 Ca -0.40 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 1n7p h SER 703 Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1n7p h SER 703 CO 0.60 0.10 -0.50 0.77 -0.87 0.00 0.00 176.83 176.94 1n7p h SER 704 N 0.00 0.00 -2.43 4.97 4.64 -2.06 -3.39 113.55 115.28 1n7p h SER 704 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1n7p h SER 704 Cb 0.23 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.91 1n7p h SER 704 CO 0.01 0.50 -0.74 0.59 -0.87 0.00 0.00 176.83 176.32 1n7p n ASN 705 N -3.47 2.23 -4.76 4.97 5.03 -0.75 -5.11 115.26 113.39 1n7p n ASN 705 Ca 0.00 -3.08 -0.34 0.00 0.87 0.00 0.00 54.58 52.03 1n7p n ASN 705 Cb 0.62 -0.67 0.03 0.00 -1.02 0.00 0.00 39.78 38.74 1n7p n ASN 705 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1n7p s PRO 706 N -1.57 2.95 0.03 3.52 0.04 -1.24 -4.51 135.00 134.23 1n7p s PRO 706 Ca 0.34 1.56 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 1n7p s PRO 706 Cb 0.08 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 1n7p s PRO 706 CO -0.10 -1.16 0.42 0.71 0.04 0.00 0.00 177.00 176.91 1n7p s TYR 707 N -2.01 3.69 -0.21 0.56 2.02 -1.26 -4.54 117.35 115.61 1n7p s TYR 707 Ca 0.71 0.97 -0.13 0.00 -0.37 0.00 0.00 57.07 58.25 1n7p s TYR 707 Cb -0.24 -2.28 -0.05 0.00 -0.40 0.00 0.00 41.96 39.00 1n7p s TYR 707 CO 0.36 0.60 0.26 0.21 -1.57 0.00 0.00 175.55 175.40 1n7p s LYS 708 N -1.31 4.16 -0.17 -0.62 2.20 -0.17 -4.91 119.74 118.90 1n7p s LYS 708 Ca 0.27 -0.05 -0.07 0.00 -0.36 0.00 0.00 55.97 55.76 1n7p s LYS 708 Cb -0.16 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 1n7p s LYS 708 CO 0.15 0.10 0.06 0.08 -0.36 0.00 0.00 175.35 175.38 1n7p s VAL 709 N 0.93 4.78 -0.04 4.02 1.01 -1.26 -0.84 120.40 129.00 1n7p s VAL 709 Ca 0.13 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.14 1n7p s VAL 709 Cb -0.13 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1n7p s VAL 709 CO 0.05 0.48 -0.25 -0.31 0.00 0.00 0.00 175.10 175.06 1n7p s TYR 710 N 0.24 2.33 -0.12 5.22 1.51 -0.21 0.08 117.35 126.40 1n7p s TYR 710 Ca 0.04 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 1n7p s TYR 710 Cb -0.12 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1n7p s TYR 710 CO 0.00 -0.12 -0.21 0.08 -1.11 0.00 0.00 175.55 174.20 1n7p s VAL 711 N -0.40 1.92 -1.37 0.71 1.01 -0.47 -0.66 120.40 121.14 1n7p s VAL 711 Ca 0.04 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 1n7p s VAL 711 Cb -0.11 -1.69 0.10 0.00 0.00 0.00 0.00 36.38 34.67 1n7p s VAL 711 CO 0.01 0.52 0.57 0.59 0.00 0.00 0.00 175.10 176.79 1n7p n ASN 712 N 3.96 -3.53 -0.58 3.32 3.02 -0.37 -1.59 115.26 119.48 1n7p n ASN 712 Ca -0.20 -0.54 -0.08 0.00 -0.03 0.00 0.00 54.58 53.74 1n7p n ASN 712 Cb 0.52 -2.92 -0.03 0.00 -0.61 0.00 0.00 39.78 36.74 1n7p n ASN 712 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1n7p n ASP 713 N -2.37 -4.35 -4.27 6.41 2.03 -1.26 -5.02 116.55 107.72 1n7p n ASP 713 Ca 0.01 0.19 -0.32 0.00 0.52 0.00 0.00 54.79 55.19 1n7p n ASP 713 Cb 0.52 -2.52 -0.16 0.00 -0.72 0.00 0.00 41.12 38.24 1n7p n ASP 713 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1n7p s LYS 714 N -2.36 2.94 0.29 -0.67 1.02 -0.62 -5.04 119.74 115.29 1n7p s LYS 714 Ca 0.00 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 1n7p s LYS 714 Cb 0.00 -2.32 -0.12 0.00 -0.52 0.00 0.00 37.83 34.87 1n7p s LYS 714 CO 0.00 0.26 1.51 -1.91 -0.92 0.00 0.00 175.35 174.29 1n7p n GLU 715 N 3.30 2.46 -4.41 1.68 2.13 -1.26 -1.37 120.64 123.17 1n7p n GLU 715 Ca -0.18 0.87 -0.30 0.00 0.66 0.00 0.00 57.16 58.21 1n7p n GLU 715 Cb 0.53 -2.60 -0.12 0.00 0.27 0.00 0.00 31.44 29.51 1n7p n GLU 715 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n7p s ALA 716 N -0.16 2.58 -0.37 4.31 0.00 0.11 -4.83 121.76 123.40 1n7p s ALA 716 Ca 0.64 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1n7p s ALA 716 Cb -0.55 -0.59 0.06 0.00 0.00 0.00 0.00 23.12 22.04 1n7p s ALA 716 CO 0.51 0.58 0.16 -1.12 0.00 0.00 0.00 175.76 175.88 1n7p s SER 717 N -1.98 5.39 0.42 0.00 0.01 -1.26 -4.40 113.70 111.88 1n7p s SER 717 Ca 0.16 -1.34 -0.16 0.00 1.31 0.00 0.00 55.95 55.92 1n7p s SER 717 Cb -0.10 -1.90 -0.09 0.00 0.21 0.00 0.00 66.02 64.14 1n7p s SER 717 CO 0.08 -0.41 0.87 -0.76 0.41 0.00 0.00 173.24 173.43 1n7p s LEU 718 N 1.38 3.86 0.28 2.44 1.43 -1.26 -5.08 118.68 121.73 1n7p s LEU 718 Ca 0.01 1.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.56 1n7p s LEU 718 Cb -0.21 -4.30 -0.05 0.00 0.03 0.00 0.00 46.19 41.66 1n7p s LEU 718 CO 0.02 -0.39 0.11 0.42 0.23 0.00 0.00 176.35 176.74 1n7p s THR 719 N -2.29 0.52 0.20 5.49 -4.23 -1.26 -4.80 115.64 109.28 1n7p s THR 719 Ca 0.57 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.98 1n7p s THR 719 Cb -0.10 -2.59 0.13 0.00 1.34 0.00 0.00 72.50 71.28 1n7p s THR 719 CO 0.23 0.00 1.81 -0.33 -0.54 0.00 0.00 174.62 175.79 1n7p h GLU 720 N 2.29 0.67 -6.82 3.99 5.08 -1.88 -0.97 114.58 116.95 1n7p h GLU 720 Ca -0.37 -0.04 -0.51 0.00 -1.00 0.00 0.00 59.36 57.44 1n7p h GLU 720 Cb 1.25 -0.15 0.03 0.00 0.50 0.00 0.00 28.75 30.38 1n7p h GLU 720 CO 0.58 0.44 0.53 -1.14 -1.00 0.00 0.00 179.01 178.43 1n7p s GLN 721 N -6.11 4.55 0.23 2.33 0.74 -1.26 -4.61 119.66 115.53 1n7p s GLN 721 Ca -0.13 1.93 -0.31 0.00 0.05 0.00 0.00 55.36 56.90 1n7p s GLN 721 Cb 0.15 -3.16 -0.11 0.00 1.10 0.00 0.00 33.01 31.00 1n7p s GLN 721 CO 0.76 0.08 1.56 -1.21 -0.55 0.00 0.00 175.29 175.93 1n7p s GLU 722 N -1.46 4.19 -0.08 1.67 2.02 -1.26 -4.76 118.70 119.02 1n7p s GLU 722 Ca 0.46 2.44 0.03 0.00 0.02 0.00 0.00 54.97 57.93 1n7p s GLU 722 Cb -0.34 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 1n7p s GLU 722 CO 0.44 -0.58 -0.17 0.15 0.02 0.00 0.00 175.26 175.12 1n7p s LYS 723 N 0.23 2.79 0.07 1.61 1.02 -0.64 -4.96 119.74 119.86 1n7p s LYS 723 Ca 0.66 -0.74 -0.18 0.00 0.02 0.00 0.00 55.97 55.73 1n7p s LYS 723 Cb -0.45 -2.40 -0.06 0.00 -0.52 0.00 0.00 37.83 34.39 1n7p s LYS 723 CO 0.40 0.44 0.53 -0.51 -0.92 0.00 0.00 175.35 175.28 1n7p s ASP 724 N -0.26 6.97 -0.49 2.83 -0.00 -1.26 -1.65 116.67 122.81 1n7p s ASP 724 Ca 0.01 1.17 0.03 0.00 -0.00 0.00 0.00 52.55 53.76 1n7p s ASP 724 Cb -0.13 -2.32 0.15 0.00 -0.00 0.00 0.00 42.92 40.61 1n7p s ASP 724 CO 0.03 0.26 0.30 -0.31 -0.00 0.00 0.00 175.17 175.46 1n7p s TYR 725 N -1.15 2.21 0.61 4.23 1.51 0.38 -4.99 117.35 120.15 1n7p s TYR 725 Ca 0.29 -2.62 -0.15 0.00 -1.01 0.00 0.00 57.07 53.57 1n7p s TYR 725 Cb -0.18 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1n7p s TYR 725 CO 0.18 -0.74 1.07 -1.25 -1.11 0.00 0.00 175.55 173.69 1n7p s PRO 726 N -0.06 3.22 -1.31 -1.71 0.04 -1.26 -2.44 135.00 131.48 1n7p s PRO 726 Ca 0.21 1.22 -0.05 0.00 0.04 0.00 0.00 61.00 62.42 1n7p s PRO 726 Cb -0.17 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1n7p s PRO 726 CO -0.06 -0.89 1.05 0.39 0.04 0.00 0.00 177.00 177.53 1n7p n GLU 727 N -2.14 -6.94 -3.08 4.56 -0.58 -1.22 -4.95 120.64 106.29 1n7p n GLU 727 Ca 0.09 0.79 -0.40 0.00 -0.42 0.00 0.00 57.16 57.22 1n7p n GLU 727 Cb 0.53 -5.77 -0.05 0.00 -0.57 0.00 0.00 31.44 25.57 1n7p n GLU 727 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1n7p s THR 728 N -3.37 5.02 -0.18 2.62 2.01 -0.26 -4.75 115.64 116.73 1n7p s THR 728 Ca 0.31 1.30 0.18 0.00 0.31 0.00 0.00 61.69 63.79 1n7p s THR 728 Cb -0.14 -3.99 -0.25 0.00 0.01 0.00 0.00 72.50 68.13 1n7p s THR 728 CO 0.75 0.15 0.13 1.67 -0.69 0.00 0.00 174.62 176.63 1n7p n GLN 729 N 4.62 0.68 -3.63 4.92 -0.06 -1.26 -0.94 117.38 121.71 1n7p n GLN 729 Ca -0.01 0.01 -0.14 0.00 -2.00 0.00 0.00 57.00 54.86 1n7p n GLN 729 Cb 0.50 -1.54 -0.06 0.00 -4.06 0.00 0.00 30.24 25.07 1n7p n GLN 729 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1n7p s SER 730 N -5.52 -0.39 -0.02 1.69 1.04 -1.26 -0.75 113.70 108.49 1n7p s SER 730 Ca -0.09 0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.58 1n7p s SER 730 Cb 0.06 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1n7p s SER 730 CO 0.83 -0.63 -0.14 -0.69 0.98 0.00 0.00 173.24 173.59 1n7p s VAL 731 N -2.03 1.13 -0.05 5.02 1.01 -0.28 -1.23 120.40 123.97 1n7p s VAL 731 Ca -0.08 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1n7p s VAL 731 Cb -0.01 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1n7p s VAL 731 CO 0.01 0.33 -0.09 0.12 0.00 0.00 0.00 175.10 175.47 1n7p s PHE 732 N -0.17 1.10 -0.35 5.22 5.36 0.17 -0.74 117.98 128.57 1n7p s PHE 732 Ca 0.02 -0.36 -0.07 0.00 -0.96 0.00 0.00 56.93 55.56 1n7p s PHE 732 Cb -0.07 -0.86 0.04 0.00 -0.34 0.00 0.00 43.02 41.79 1n7p s PHE 732 CO 0.00 -0.22 0.12 -0.51 -1.46 0.00 0.00 175.22 173.15 1n7p s LEU 733 N 0.72 4.40 -0.25 6.12 1.43 0.26 -1.05 118.68 130.31 1n7p s LEU 733 Ca -0.13 -1.14 -0.07 0.00 -1.03 0.00 0.00 54.13 51.77 1n7p s LEU 733 Cb -0.15 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1n7p s LEU 733 CO 0.02 -0.34 0.07 -0.70 0.23 0.00 0.00 176.35 175.63 1n7p s GLU 734 N 1.42 3.56 0.38 1.70 2.12 -0.02 -1.98 118.70 125.89 1n7p s GLU 734 Ca -0.01 -0.54 0.07 0.00 0.36 0.00 0.00 54.97 54.86 1n7p s GLU 734 Cb -0.20 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 1n7p s GLU 734 CO 0.03 -0.23 0.47 0.45 -0.54 0.00 0.00 175.26 175.45 1n7p s SER 735 N 1.59 5.62 0.42 -1.70 0.15 -1.26 -1.00 113.70 117.52 1n7p s SER 735 Ca 0.06 -0.41 0.18 0.00 0.70 0.00 0.00 55.95 56.49 1n7p s SER 735 Cb -0.15 -0.88 0.94 0.00 -1.71 0.00 0.00 66.02 64.22 1n7p s SER 735 CO 0.03 -0.58 1.88 0.77 1.20 0.00 0.00 173.24 176.55 1n7p h SER 736 N 0.87 0.00 -3.68 5.45 4.64 -1.92 -3.40 113.55 115.50 1n7p h SER 736 Ca -0.43 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.21 1n7p h SER 736 Cb 1.27 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.16 1n7p h SER 736 CO 0.51 0.29 -0.49 -0.62 -0.87 0.00 0.00 176.83 175.65 1n7p s ASP 737 N -6.60 5.94 0.58 4.97 3.68 -1.26 -4.98 116.67 119.00 1n7p s ASP 737 Ca -0.02 -0.50 0.28 0.00 2.13 0.00 0.00 52.55 54.43 1n7p s ASP 737 Cb 0.13 -2.11 1.72 0.00 -1.45 0.00 0.00 42.92 41.22 1n7p s ASP 737 CO 0.67 -0.25 2.20 0.28 0.13 0.00 0.00 175.17 178.20 1n7p h SER 738 N 8.47 0.00 0.00 -0.34 0.02 -1.94 -0.84 113.55 118.92 1n7p h SER 738 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1n7p h SER 738 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1n7p h SER 738 CO 0.64 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.62 1n7p n LYS 739 N -3.91 0.80 0.00 3.45 4.76 -1.26 -1.94 118.16 120.06 1n7p n LYS 739 Ca -0.01 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.45 1n7p n LYS 739 Cb 0.16 -1.34 0.02 0.00 -1.84 0.00 0.00 35.03 32.03 1n7p n LYS 739 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1n7p n LYS 740 N -0.84 0.20 -2.24 1.97 5.02 -0.32 -1.08 118.16 120.88 1n7p n LYS 740 Ca 0.13 -0.78 -0.40 0.00 -2.02 0.00 0.00 58.31 55.24 1n7p n LYS 740 Cb 0.06 -1.08 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1n7p n LYS 740 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1n7p s ASN 741 N -0.55 6.87 -0.08 4.39 0.01 -0.82 -4.80 114.94 119.97 1n7p s ASN 741 Ca 0.06 2.52 -0.00 0.00 -0.71 0.00 0.00 52.86 54.73 1n7p s ASN 741 Cb 0.05 -2.64 0.02 0.00 0.41 0.00 0.00 41.25 39.09 1n7p s ASN 741 CO 0.08 -0.45 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.56 1n7p s ILE 742 N -1.18 0.62 0.10 0.60 1.01 -0.84 -1.43 121.20 120.08 1n7p s ILE 742 Ca 0.49 -0.07 0.09 0.00 0.00 0.00 0.00 60.65 61.15 1n7p s ILE 742 Cb -0.36 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1n7p s ILE 742 CO 0.48 0.29 -0.18 -0.83 0.00 0.00 0.00 174.94 174.69 1n7p s GLY 743 N 1.60 1.67 -0.14 6.18 0.00 -0.33 -0.58 107.32 115.72 1n7p s GLY 743 Ca 0.00 -1.32 -0.00 0.00 0.00 0.00 0.00 44.72 43.40 1n7p s GLY 743 CO -0.04 -1.28 -0.06 -0.19 0.00 0.00 0.00 173.10 171.52 1n7p s TYR 744 N -1.10 1.61 -0.29 1.90 1.51 0.08 -0.76 117.35 120.30 1n7p s TYR 744 Ca 0.17 -0.94 -0.06 0.00 -1.01 0.00 0.00 57.07 55.23 1n7p s TYR 744 Cb -0.11 -1.28 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1n7p s TYR 744 CO 0.09 -0.58 0.07 0.12 -1.11 0.00 0.00 175.55 174.14 1n7p s PHE 745 N 1.67 3.13 -0.35 2.71 5.36 -0.19 -1.12 117.98 129.19 1n7p s PHE 745 Ca 0.02 -0.98 -0.22 0.00 -0.96 0.00 0.00 56.93 54.79 1n7p s PHE 745 Cb -0.14 -2.23 0.00 0.00 -0.34 0.00 0.00 43.02 40.31 1n7p s PHE 745 CO -0.08 -0.57 0.71 -0.06 -1.46 0.00 0.00 175.22 173.76 1n7p s PHE 746 N 1.49 3.15 0.23 10.12 0.40 0.07 -0.12 117.98 133.32 1n7p s PHE 746 Ca 0.03 0.51 -0.07 0.00 -0.60 0.00 0.00 56.93 56.80 1n7p s PHE 746 Cb -0.17 -3.23 0.31 0.00 0.51 0.00 0.00 43.02 40.44 1n7p s PHE 746 CO 0.02 -0.64 1.83 0.74 0.70 0.00 0.00 175.22 177.86 1n7p h PHE 747 N 8.40 0.84 -4.08 0.36 0.04 -1.81 -3.38 116.94 117.31 1n7p h PHE 747 Ca -0.25 0.03 -0.69 0.00 2.80 0.00 0.00 57.97 59.85 1n7p h PHE 747 Cb 1.10 -0.26 -0.24 0.00 2.20 0.00 0.00 35.95 38.75 1n7p h PHE 747 CO 0.77 0.40 -0.78 0.15 -0.60 0.00 0.00 178.31 178.25 1n7p s LYS 748 N -6.07 2.45 0.15 1.51 1.02 -1.26 -5.04 119.74 112.49 1n7p s LYS 748 Ca -0.13 -0.73 -0.34 0.00 0.02 0.00 0.00 55.97 54.80 1n7p s LYS 748 Cb 0.18 -2.34 -0.16 0.00 -0.52 0.00 0.00 37.83 34.99 1n7p s LYS 748 CO 0.78 0.62 1.31 1.63 -0.92 0.00 0.00 175.35 178.77 1n7p n LYS 749 N 2.29 1.40 -4.21 1.68 5.02 -1.26 -4.89 118.16 118.19 1n7p n LYS 749 Ca -0.17 0.50 -0.17 0.00 -2.02 0.00 0.00 58.31 56.45 1n7p n LYS 749 Cb 0.52 -2.11 -0.11 0.00 -0.02 0.00 0.00 35.03 33.31 1n7p n LYS 749 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1n7p s SER 750 N 0.34 1.77 -0.38 4.39 0.01 -0.12 -4.79 113.70 114.92 1n7p s SER 750 Ca 0.77 -0.75 -0.18 0.00 1.31 0.00 0.00 55.95 57.10 1n7p s SER 750 Cb -0.84 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 65.35 1n7p s SER 750 CO 0.48 -0.15 0.49 -0.44 0.41 0.00 0.00 173.24 174.03 1n7p s SER 751 N -2.24 6.27 0.37 2.44 0.01 -1.26 -1.11 113.70 118.18 1n7p s SER 751 Ca 0.05 -0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.10 1n7p s SER 751 Cb -0.06 -2.25 -0.07 0.00 0.21 0.00 0.00 66.02 63.85 1n7p s SER 751 CO 0.02 -0.53 0.04 0.27 0.41 0.00 0.00 173.24 173.46 1n7p s ILE 752 N 2.34 1.44 0.04 1.44 -4.36 -1.02 -4.32 121.20 116.76 1n7p s ILE 752 Ca 0.17 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.59 1n7p s ILE 752 Cb -0.16 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.72 1n7p s ILE 752 CO 0.14 0.00 -0.11 -0.44 0.24 0.00 0.00 174.94 174.77 1n7p s SER 753 N -3.59 1.22 0.02 4.36 0.01 -0.16 -0.47 113.70 115.09 1n7p s SER 753 Ca 0.34 -0.45 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 1n7p s SER 753 Cb 0.09 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 1n7p s SER 753 CO 0.16 -0.06 0.05 -0.04 0.41 0.00 0.00 173.24 173.76 1n7p s MET 754 N -1.21 0.44 0.08 12.44 -1.94 -0.66 -1.15 119.30 127.30 1n7p s MET 754 Ca -0.03 -0.62 -0.16 0.00 -1.71 0.00 0.00 55.69 53.18 1n7p s MET 754 Cb -0.08 0.17 0.03 0.00 2.01 0.00 0.00 34.83 36.96 1n7p s MET 754 CO 0.01 -0.10 0.37 -1.54 -0.01 0.00 0.00 175.02 173.75 1n7p s SER 755 N -1.68 -0.19 -0.13 3.03 1.04 -0.71 -1.62 113.70 113.44 1n7p s SER 755 Ca -0.12 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 1n7p s SER 755 Cb -0.06 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.52 1n7p s SER 755 CO -0.02 -0.74 -0.04 -0.75 0.98 0.00 0.00 173.24 172.67 1n7p s LYS 756 N -3.15 1.24 -0.02 4.02 2.20 -0.37 -1.31 119.74 122.34 1n7p s LYS 756 Ca -0.01 -0.28 -0.09 0.00 -0.36 0.00 0.00 55.97 55.24 1n7p s LYS 756 Cb 0.01 -1.64 0.01 0.00 -1.51 0.00 0.00 37.83 34.70 1n7p s LYS 756 CO -0.07 -0.36 0.19 0.00 -0.36 0.00 0.00 175.35 174.75 1n7p s ALA 757 N 1.75 -0.47 -0.07 3.13 0.00 -0.38 -2.49 121.76 123.23 1n7p s ALA 757 Ca 0.03 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.82 1n7p s ALA 757 Cb -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1n7p s ALA 757 CO -0.07 -0.20 1.00 -1.17 0.00 0.00 0.00 175.76 175.32 1n7p s LEU 758 N -1.05 4.29 -0.10 0.00 2.96 -1.26 -1.07 118.68 122.45 1n7p s LEU 758 Ca -0.11 1.58 0.04 0.00 -0.22 0.00 0.00 54.13 55.41 1n7p s LEU 758 Cb -0.06 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1n7p s LEU 758 CO 0.02 -0.38 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.34 1n7p s GLN 759 N 1.66 2.88 0.12 1.98 -0.21 0.21 -4.98 119.66 121.31 1n7p s GLN 759 Ca 0.50 -0.82 0.09 0.00 0.02 0.00 0.00 55.36 55.15 1n7p s GLN 759 Cb -0.19 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 1n7p s GLN 759 CO 0.21 0.15 -0.18 0.15 -2.12 0.00 0.00 175.29 173.51 1n7p s LYS 760 N 0.40 1.80 -0.09 2.91 1.02 -1.26 -1.54 119.74 122.98 1n7p s LYS 760 Ca -0.18 -1.18 -0.31 0.00 0.02 0.00 0.00 55.97 54.31 1n7p s LYS 760 Cb -0.18 -2.12 0.11 0.00 -0.52 0.00 0.00 37.83 35.13 1n7p s LYS 760 CO 0.08 0.48 1.39 0.20 -0.92 0.00 0.00 175.35 176.57 1n7p s GLY 761 N -2.18 -0.29 0.07 -3.33 0.00 -0.47 -4.87 107.32 96.24 1n7p s GLY 761 Ca 0.18 0.37 0.05 0.00 0.00 0.00 0.00 44.72 45.32 1n7p s GLY 761 CO 0.10 5.09 -0.14 0.00 0.00 0.00 0.00 173.10 178.15 1n7p s ALA 762 N -2.01 1.20 0.41 3.20 0.00 -1.26 -0.32 121.76 122.97 1n7p s ALA 762 Ca 0.28 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.37 1n7p s ALA 762 Cb 0.02 -0.12 0.93 0.00 0.00 0.00 0.00 23.12 23.94 1n7p s ALA 762 CO -0.04 0.19 1.99 -1.49 0.00 0.00 0.00 175.76 176.41 1n7p h TRP 763 N 4.42 0.53 -0.06 0.00 4.06 -1.75 -1.03 115.95 122.12 1n7p h TRP 763 Ca -0.40 0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.58 1n7p h TRP 763 Cb 1.19 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1n7p h TRP 763 CO 0.61 0.28 0.05 -0.22 -3.56 0.00 0.00 178.44 175.60 1n7p h LYS 764 N 0.52 0.00 -0.63 0.49 3.64 -1.36 -1.67 116.57 117.56 1n7p h LYS 764 Ca 0.25 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.75 1n7p h LYS 764 Cb 0.33 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1n7p h LYS 764 CO -0.07 0.00 0.43 -0.44 -2.27 0.00 0.00 179.45 177.09 1n7p h ASP 765 N 0.00 0.34 -0.01 4.20 3.32 -1.48 -2.91 116.42 119.89 1n7p h ASP 765 Ca 0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1n7p h ASP 765 Cb 0.13 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1n7p h ASP 765 CO -0.00 0.20 -0.18 2.30 -1.72 0.00 0.00 179.24 179.84 1n7p n ILE 766 N -4.47 0.00 -3.29 0.35 -5.35 -0.70 -4.81 119.36 101.10 1n7p n ILE 766 Ca 0.11 -0.41 0.03 0.00 -0.27 0.00 0.00 62.75 62.21 1n7p n ILE 766 Cb 0.43 1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 39.48 1n7p n ILE 766 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1n7p s ASN 767 N -1.37 -1.25 0.51 7.28 3.84 -0.78 -0.24 114.94 122.94 1n7p s ASN 767 Ca 0.11 1.02 0.16 0.00 0.21 0.00 0.00 52.86 54.36 1n7p s ASN 767 Cb 0.09 2.14 1.24 0.00 -0.55 0.00 0.00 41.25 44.17 1n7p s ASN 767 CO 0.26 -0.23 2.13 -0.33 -2.79 0.00 0.00 177.10 176.13 1n7p h GLU 768 N 7.98 0.00 0.00 0.43 4.39 -1.29 -2.03 114.58 124.07 1n7p h GLU 768 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1n7p h GLU 768 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1n7p h GLU 768 CO 0.19 0.03 0.00 0.41 -1.16 0.00 0.00 179.01 178.48 1n7p n GLY 769 N -1.45 -1.22 4.00 -3.84 0.00 -1.26 -4.91 105.19 96.51 1n7p n GLY 769 Ca -0.03 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1n7p n GLY 769 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n7p s GLN 770 N -2.62 2.39 0.29 1.61 -1.52 -0.76 -5.06 119.66 113.98 1n7p s GLN 770 Ca 0.24 -1.14 -0.29 0.00 -1.95 0.00 0.00 55.36 52.22 1n7p s GLN 770 Cb 0.18 -2.56 -0.10 0.00 -0.22 0.00 0.00 33.01 30.32 1n7p s GLN 770 CO 0.43 -0.78 1.16 0.45 -0.25 0.00 0.00 175.29 176.29 1n7p s SER 771 N -4.52 7.14 0.00 5.90 0.15 -1.26 -4.14 113.70 116.96 1n7p s SER 771 Ca 0.59 2.37 0.08 0.00 0.70 0.00 0.00 55.95 59.70 1n7p s SER 771 Cb -0.08 -2.63 0.38 0.00 -1.71 0.00 0.00 66.02 61.98 1n7p s SER 771 CO 0.38 -0.25 1.26 -0.90 1.20 0.00 0.00 173.24 174.94 1n7p n ASP 772 N 1.16 0.52 -4.74 5.45 5.75 -1.26 -1.40 116.55 122.03 1n7p n ASP 772 Ca -0.01 -1.84 -0.41 0.00 -0.01 0.00 0.00 54.79 52.52 1n7p n ASP 772 Cb 0.44 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.45 1n7p n ASP 772 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1n7p s LYS 773 N -1.89 4.24 0.20 0.11 2.20 -1.26 -4.85 119.74 118.49 1n7p s LYS 773 Ca 0.14 2.35 -0.30 0.00 -0.36 0.00 0.00 55.97 57.80 1n7p s LYS 773 Cb 0.07 -3.10 -0.09 0.00 -1.51 0.00 0.00 37.83 33.20 1n7p s LYS 773 CO 0.10 -0.48 1.40 -2.00 -0.36 0.00 0.00 175.35 174.02 1n7p s GLU 774 N -0.19 4.31 0.19 4.03 2.12 -1.26 -4.38 118.70 123.52 1n7p s GLU 774 Ca 0.61 2.18 0.11 0.00 0.36 0.00 0.00 54.97 58.23 1n7p s GLU 774 Cb -0.43 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1n7p s GLU 774 CO 0.42 -0.39 -0.23 0.08 -0.54 0.00 0.00 175.26 174.61 1n7p s VAL 775 N 0.37 2.21 -0.06 3.70 1.01 0.56 -4.99 120.40 123.20 1n7p s VAL 775 Ca 0.61 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.45 1n7p s VAL 775 Cb -0.39 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 33.97 1n7p s VAL 775 CO 0.38 -0.17 0.33 -1.83 0.00 0.00 0.00 175.10 173.81 1n7p s GLU 776 N -2.69 0.58 0.03 2.72 -1.05 -1.26 -1.37 118.70 115.65 1n7p s GLU 776 Ca 0.19 0.05 -0.11 0.00 -0.15 0.00 0.00 54.97 54.95 1n7p s GLU 776 Cb -0.07 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 33.89 1n7p s GLU 776 CO 0.09 -0.14 0.24 -0.80 0.95 0.00 0.00 175.26 175.60 1n7p s ASN 777 N -0.79 -0.05 0.02 0.83 0.01 -0.59 -4.99 114.94 109.39 1n7p s ASN 777 Ca -0.09 -0.22 -0.19 0.00 -0.71 0.00 0.00 52.86 51.65 1n7p s ASN 777 Cb -0.04 0.30 -0.06 0.00 0.41 0.00 0.00 41.25 41.86 1n7p s ASN 777 CO 0.03 -0.54 0.56 -0.70 -1.51 0.00 0.00 177.10 174.94 1n7p s GLU 778 N -2.22 4.23 0.03 -0.60 2.56 -1.26 -0.62 118.70 120.81 1n7p s GLU 778 Ca -0.08 0.69 0.05 0.00 0.00 0.00 0.00 54.97 55.63 1n7p s GLU 778 Cb -0.02 -3.29 -0.02 0.00 2.00 0.00 0.00 34.13 32.79 1n7p s GLU 778 CO -0.02 0.50 -0.14 -0.06 -0.56 0.00 0.00 175.26 174.98 1n7p s PHE 779 N -0.62 1.26 -0.29 5.30 0.40 -0.23 -0.64 117.98 123.16 1n7p s PHE 779 Ca 0.29 -0.34 -0.08 0.00 -0.60 0.00 0.00 56.93 56.21 1n7p s PHE 779 Cb -0.18 -0.76 -0.00 0.00 0.51 0.00 0.00 43.02 42.58 1n7p s PHE 779 CO 0.17 0.03 0.09 -1.17 0.70 0.00 0.00 175.22 175.05 1n7p s LEU 780 N -1.02 3.82 -0.13 -0.37 2.96 -0.17 -1.25 118.68 122.51 1n7p s LEU 780 Ca 0.02 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1n7p s LEU 780 Cb -0.08 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1n7p s LEU 780 CO 0.01 -0.16 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.93 1n7p s THR 781 N 1.55 3.75 -0.11 3.68 2.01 -0.43 -0.76 115.64 125.34 1n7p s THR 781 Ca 0.04 -0.42 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1n7p s THR 781 Cb -0.17 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.74 1n7p s THR 781 CO 0.03 0.53 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.67 1n7p s ILE 782 N 0.04 1.72 0.10 1.82 1.01 -0.10 -1.73 121.20 124.06 1n7p s ILE 782 Ca -0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1n7p s ILE 782 Cb -0.14 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1n7p s ILE 782 CO 0.03 0.49 0.02 -0.94 0.00 0.00 0.00 174.94 174.54 1n7p s SER 783 N 0.71 0.42 -0.15 3.58 1.04 -0.30 -0.18 113.70 118.81 1n7p s SER 783 Ca -0.12 -1.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.16 1n7p s SER 783 Cb -0.16 0.25 0.05 0.00 0.10 0.00 0.00 66.02 66.26 1n7p s SER 783 CO 0.02 -0.67 0.01 -1.58 0.98 0.00 0.00 173.24 171.99 1n7p s GLN 784 N -4.00 0.81 0.52 4.02 0.74 -0.42 -0.99 119.66 120.34 1n7p s GLN 784 Ca 0.18 -0.26 -0.19 0.00 0.05 0.00 0.00 55.36 55.14 1n7p s GLN 784 Cb 0.08 -1.71 -0.07 0.00 1.10 0.00 0.00 33.01 32.41 1n7p s GLN 784 CO -0.02 -0.48 1.06 0.00 -0.55 0.00 0.00 175.29 175.30 1n7p s ALA 785 N 1.85 2.80 -0.49 1.58 0.00 -1.26 -1.18 121.76 125.06 1n7p s ALA 785 Ca 0.01 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1n7p s ALA 785 Cb -0.15 -3.28 0.15 0.00 0.00 0.00 0.00 23.12 19.84 1n7p s ALA 785 CO -0.07 -0.51 0.31 -1.01 0.00 0.00 0.00 175.76 174.48 1n7p s HIS 786 N -2.01 2.20 -0.60 0.00 0.09 0.19 -4.92 115.29 110.25 1n7p s HIS 786 Ca 0.68 -2.63 0.24 0.00 -0.00 0.00 0.00 55.06 53.36 1n7p s HIS 786 Cb -0.18 -1.93 0.44 0.00 -0.00 0.00 0.00 32.58 30.91 1n7p s HIS 786 CO 0.24 -0.74 1.46 0.87 -0.00 0.00 0.00 174.74 176.57 1n7p h LYS 787 N 6.26 0.00 -6.08 1.40 1.57 -1.96 -3.38 116.57 114.37 1n7p h LYS 787 Ca 0.07 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.30 1n7p h LYS 787 Cb 0.89 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.97 1n7p h LYS 787 CO 0.52 0.00 -0.82 -0.65 -0.57 0.00 0.00 179.45 177.93 1n7p s GLN 788 N -3.18 1.13 0.39 3.15 -0.21 -1.26 -5.07 119.66 114.61 1n7p s GLN 788 Ca 0.07 -1.11 -0.27 0.00 0.02 0.00 0.00 55.36 54.07 1n7p s GLN 788 Cb 0.12 -1.36 -0.09 0.00 1.00 0.00 0.00 33.01 32.68 1n7p s GLN 788 CO 0.69 0.32 1.30 -0.80 -2.12 0.00 0.00 175.29 174.68 1n7p s ASN 789 N -1.78 6.42 0.00 5.90 0.01 -1.26 -2.69 114.94 121.53 1n7p s ASN 789 Ca 0.06 2.66 0.00 0.00 -0.71 0.00 0.00 52.86 54.87 1n7p s ASN 789 Cb -0.10 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.92 1n7p s ASN 789 CO 0.04 -0.77 0.00 0.61 -1.51 0.00 0.00 177.10 175.47 1n7p n GLY 790 N 0.69 0.66 3.69 0.66 0.00 -0.26 -5.00 105.19 105.63 1n7p n GLY 790 Ca 0.03 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1n7p n GLY 790 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n7p s ASP 791 N -2.08 2.75 0.19 1.61 1.01 -1.10 -4.54 116.67 114.51 1n7p s ASP 791 Ca 0.00 1.22 -0.18 0.00 0.71 0.00 0.00 52.55 54.30 1n7p s ASP 791 Cb 0.00 -1.88 0.03 0.00 1.01 0.00 0.00 42.92 42.08 1n7p s ASP 791 CO 0.00 -3.06 0.52 -0.94 0.21 0.00 0.00 175.17 171.90 1n7p s SER 792 N -3.47 -0.27 0.08 0.27 1.04 -1.26 -2.06 113.70 108.03 1n7p s SER 792 Ca 0.65 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.65 1n7p s SER 792 Cb -0.18 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1n7p s SER 792 CO 0.57 -1.03 -0.06 -0.72 0.98 0.00 0.00 173.24 172.99 1n7p s TYR 793 N -3.86 0.77 -0.30 5.02 -0.85 -0.16 -4.97 117.35 113.00 1n7p s TYR 793 Ca 0.08 -0.94 -0.11 0.00 -0.52 0.00 0.00 57.07 55.58 1n7p s TYR 793 Cb -0.01 -0.47 0.15 0.00 0.38 0.00 0.00 41.96 42.02 1n7p s TYR 793 CO -0.04 -0.21 0.81 0.20 -1.52 0.00 0.00 175.55 174.79 1n7p s GLY 794 N -2.93 -0.51 0.13 5.49 0.00 -1.26 -0.94 107.32 107.31 1n7p s GLY 794 Ca 0.09 2.61 -0.18 0.00 0.00 0.00 0.00 44.72 47.24 1n7p s GLY 794 CO -0.06 3.22 0.45 -2.52 0.00 0.00 0.00 173.10 174.19 1n7p s TYR 795 N 2.72 -0.28 -0.20 1.90 -0.85 -0.69 -2.69 117.35 117.25 1n7p s TYR 795 Ca -0.01 -0.02 -0.03 0.00 -0.52 0.00 0.00 57.07 56.49 1n7p s TYR 795 Cb -0.10 0.33 -0.01 0.00 0.38 0.00 0.00 41.96 42.56 1n7p s TYR 795 CO -0.18 -0.74 -0.07 1.41 -1.52 0.00 0.00 175.55 174.45 1n7p s MET 796 N -3.79 3.36 -0.23 -3.49 -2.45 0.83 -0.42 119.30 113.10 1n7p s MET 796 Ca 0.03 -0.65 -0.24 0.00 -1.25 0.00 0.00 55.69 53.58 1n7p s MET 796 Cb 0.01 -2.89 -0.01 0.00 1.25 0.00 0.00 34.83 33.19 1n7p s MET 796 CO -0.12 -0.10 0.78 -1.17 1.05 0.00 0.00 175.02 175.45 1n7p s LEU 797 N 1.21 4.09 -0.33 4.11 2.96 0.24 -1.02 118.68 129.95 1n7p s LEU 797 Ca 0.02 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 54.93 1n7p s LEU 797 Cb -0.14 -3.11 0.10 0.00 0.50 0.00 0.00 46.19 43.53 1n7p s LEU 797 CO -0.02 -0.46 0.08 -0.63 -1.32 0.00 0.00 176.35 173.99 1n7p s ILE 798 N 2.63 1.56 0.39 6.68 1.01 0.06 -1.80 121.20 131.74 1n7p s ILE 798 Ca 0.33 -1.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.08 1n7p s ILE 798 Cb -0.15 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1n7p s ILE 798 CO 0.08 -0.64 0.65 -2.16 0.00 0.00 0.00 174.94 172.87 1n7p s PRO 799 N 1.26 3.54 -0.96 2.79 0.04 -1.26 -1.18 135.00 139.22 1n7p s PRO 799 Ca 0.10 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1n7p s PRO 799 Cb -0.18 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1n7p s PRO 799 CO -0.17 0.01 0.00 0.09 0.04 0.00 0.00 177.00 176.97 1n7p n ASN 800 N -1.83 -3.66 -4.29 6.66 4.13 -0.51 -4.99 115.26 110.76 1n7p n ASN 800 Ca -0.02 0.03 -0.20 0.00 1.68 0.00 0.00 54.58 56.07 1n7p n ASN 800 Cb 0.55 -2.80 -0.11 0.00 -1.54 0.00 0.00 39.78 35.89 1n7p n ASN 800 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1n7p s VAL 801 N -2.52 1.57 0.89 2.41 -7.23 -1.25 -4.71 120.40 109.56 1n7p s VAL 801 Ca 0.00 -1.85 -0.14 0.00 -1.81 0.00 0.00 61.98 58.18 1n7p s VAL 801 Cb 0.00 -1.72 0.14 0.00 0.56 0.00 0.00 36.38 35.36 1n7p s VAL 801 CO 0.00 -0.39 1.23 1.51 -0.31 0.00 0.00 175.10 177.13 1n7p s ASP 802 N -2.63 3.77 0.14 4.85 1.47 -1.26 -4.77 116.67 118.24 1n7p s ASP 802 Ca 0.13 0.60 -0.15 0.00 1.18 0.00 0.00 52.55 54.31 1n7p s ASP 802 Cb -0.05 -0.92 0.01 0.00 -0.34 0.00 0.00 42.92 41.63 1n7p s ASP 802 CO 0.05 -2.35 1.71 -0.09 0.68 0.00 0.00 175.17 175.17 1n7p h ARG 803 N -1.37 0.64 -0.75 2.11 2.43 -1.99 0.02 114.38 115.48 1n7p h ARG 803 Ca -0.46 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 58.56 1n7p h ARG 803 Cb 1.29 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 1n7p h ARG 803 CO 0.54 0.56 0.26 0.00 -1.51 0.00 0.00 179.97 179.82 1n7p h ALA 804 N 1.04 1.05 -0.31 2.80 0.00 -1.99 -0.52 119.26 121.33 1n7p h ALA 804 Ca 0.15 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1n7p h ALA 804 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1n7p h ALA 804 CO -0.02 0.65 -0.26 1.15 0.00 0.00 0.00 179.25 180.78 1n7p h THR 805 N 1.10 1.30 -0.61 0.00 2.02 -1.86 -1.78 112.91 113.08 1n7p h THR 805 Ca 0.24 -1.41 0.06 0.00 0.77 0.00 0.00 66.41 66.07 1n7p h THR 805 Cb 0.26 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 1n7p h THR 805 CO -0.01 0.46 0.32 0.15 0.37 0.00 0.00 175.52 176.80 1n7p h PHE 806 N 0.48 0.58 -0.45 3.16 3.57 -0.80 0.01 116.94 123.49 1n7p h PHE 806 Ca 0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1n7p h PHE 806 Cb 0.82 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1n7p h PHE 806 CO 0.07 0.27 0.08 -0.91 -2.23 0.00 0.00 178.31 175.58 1n7p h ASN 807 N 0.59 0.65 -0.34 0.41 2.35 -0.89 -1.25 115.58 117.10 1n7p h ASN 807 Ca 0.27 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.79 1n7p h ASN 807 Cb 0.19 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1n7p h ASN 807 CO -0.19 0.67 -0.26 -0.61 -1.65 0.00 0.00 177.43 175.40 1n7p h GLN 808 N 0.67 0.77 -0.78 0.81 4.15 -0.90 -3.09 115.11 116.74 1n7p h GLN 808 Ca 0.15 -0.38 -0.04 0.00 0.77 0.00 0.00 58.65 59.15 1n7p h GLN 808 Cb 0.30 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 1n7p h GLN 808 CO 0.00 1.00 0.34 0.52 -1.93 0.00 0.00 178.83 178.77 1n7p h MET 809 N 0.55 1.14 0.00 1.69 2.86 -0.58 -2.45 114.93 118.15 1n7p h MET 809 Ca 0.06 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 1n7p h MET 809 Cb 0.82 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1n7p h MET 809 CO 0.07 0.90 -0.45 -0.84 1.06 0.00 0.00 176.91 177.66 1n7p h ILE 810 N 1.13 1.09 -0.46 -1.22 3.07 -1.24 -1.58 117.51 118.29 1n7p h ILE 810 Ca 0.27 -1.66 -0.11 0.00 1.55 0.00 0.00 64.86 64.90 1n7p h ILE 810 Cb 0.16 1.96 -0.02 0.00 -0.27 0.00 0.00 36.82 38.65 1n7p h ILE 810 CO -0.03 0.44 -0.16 0.11 -1.05 0.00 0.00 178.15 177.46 1n7p h LYS 811 N 0.00 0.88 0.00 0.16 1.79 -1.41 -2.73 116.57 115.26 1n7p h LYS 811 Ca -0.00 -0.33 -0.04 0.00 -2.18 0.00 0.00 60.65 58.09 1n7p h LYS 811 Cb 0.92 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1n7p h LYS 811 CO 0.06 0.97 -0.20 0.93 -1.08 0.00 0.00 179.45 180.13 1n7p h GLU 812 N 0.78 0.00 -0.50 3.15 5.08 -0.92 -2.73 114.58 119.43 1n7p h GLU 812 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1n7p h GLU 812 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1n7p h GLU 812 CO 0.05 0.20 0.00 1.28 -1.00 0.00 0.00 179.01 179.54 1n7p n LEU 813 N -4.09 3.00 0.05 1.33 4.32 -0.66 -4.58 117.00 116.36 1n7p n LEU 813 Ca -0.02 -1.44 0.11 0.00 -0.02 0.00 0.00 56.01 54.64 1n7p n LEU 813 Cb 0.27 -0.33 0.57 0.00 -1.62 0.00 0.00 43.42 42.31 1n7p n LEU 813 CO 0.35 0.72 1.15 -0.08 -1.22 0.00 0.00 177.39 178.31 1n7p h GLU 814 N 3.43 0.22 -0.28 3.23 4.57 -1.19 -1.17 114.58 123.40 1n7p h GLU 814 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1n7p h GLU 814 Cb 0.78 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1n7p h GLU 814 CO 0.00 0.15 0.00 -1.13 -1.18 0.00 0.00 179.01 176.85 1n7p n SER 815 N -4.47 3.75 0.24 1.04 3.41 -1.26 -4.70 113.62 111.63 1n7p n SER 815 Ca 0.05 -2.83 0.10 0.00 -0.26 0.00 0.00 58.87 55.93 1n7p n SER 815 Cb 0.29 -0.49 0.58 0.00 -0.26 0.00 0.00 64.21 64.33 1n7p n SER 815 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1n7p h SER 816 N 1.89 0.00 -3.18 4.04 4.64 -1.43 -3.41 113.55 116.09 1n7p h SER 816 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1n7p h SER 816 Cb 1.33 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.37 1n7p h SER 816 CO 0.19 0.20 0.95 -0.22 -0.87 0.00 0.00 176.83 177.08 1n7p s LEU 817 N -7.25 3.89 -0.19 5.97 1.98 -1.26 -0.57 118.68 121.25 1n7p s LEU 817 Ca -0.02 1.17 -0.20 0.00 -2.89 0.00 0.00 54.13 52.19 1n7p s LEU 817 Cb 0.12 -3.54 -0.21 0.00 0.66 0.00 0.00 46.19 43.22 1n7p s LEU 817 CO 0.62 -1.05 0.30 0.40 -1.89 0.00 0.00 176.35 174.73 1n7p h ILE 818 N 5.93 0.95 -2.35 6.68 1.08 -1.43 -3.49 117.51 124.88 1n7p h ILE 818 Ca -0.25 -2.22 -0.08 0.00 -0.39 0.00 0.00 64.86 61.91 1n7p h ILE 818 Cb 1.09 2.37 -0.20 0.00 -3.07 0.00 0.00 36.82 37.01 1n7p h ILE 818 CO 1.04 0.42 0.02 -0.70 -0.69 0.00 0.00 178.15 178.24 1n7p s GLU 819 N -2.38 0.90 -0.46 2.37 2.56 -1.11 -4.95 118.70 115.63 1n7p s GLU 819 Ca -0.27 0.16 0.06 0.00 0.00 0.00 0.00 54.97 54.92 1n7p s GLU 819 Cb 0.05 0.42 0.19 0.00 2.00 0.00 0.00 34.13 36.79 1n7p s GLU 819 CO 0.63 -0.26 0.56 -1.71 -0.56 0.00 0.00 175.26 173.92 1n7p n ASN 820 N 1.18 -1.87 -2.05 -1.70 4.05 -1.22 -1.22 115.26 112.42 1n7p n ASN 820 Ca -0.19 -2.70 -0.06 0.00 0.45 0.00 0.00 54.58 52.07 1n7p n ASN 820 Cb 0.57 0.59 -0.02 0.00 1.23 0.00 0.00 39.78 42.15 1n7p n ASN 820 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1n7p n ASN 821 N 2.67 0.93 0.25 1.20 0.23 -0.41 -4.88 115.26 115.25 1n7p n ASN 821 Ca 0.23 -1.56 0.17 0.00 -0.53 0.00 0.00 54.58 52.88 1n7p n ASN 821 Cb 0.53 0.28 0.75 0.00 -2.08 0.00 0.00 39.78 39.26 1n7p n ASN 821 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1n7p h GLU 822 N 0.00 0.00 0.00 -3.83 9.09 -1.98 -3.25 114.58 114.61 1n7p h GLU 822 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 1n7p h GLU 822 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1n7p h GLU 822 CO 0.13 0.00 -1.06 0.25 0.05 0.00 0.00 179.01 178.37 1n7p n THR 823 N -2.81 0.00 -3.76 -1.06 -2.24 -1.26 -4.83 114.28 98.33 1n7p n THR 823 Ca -0.00 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1n7p n THR 823 Cb 0.21 0.48 -0.16 0.00 -2.10 0.00 0.00 70.33 68.76 1n7p n THR 823 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1n7p s LEU 824 N -3.15 0.94 -0.05 3.22 2.96 -1.23 -1.14 118.68 120.23 1n7p s LEU 824 Ca -0.01 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1n7p s LEU 824 Cb 0.03 0.01 0.02 0.00 0.50 0.00 0.00 46.19 46.74 1n7p s LEU 824 CO 0.16 -0.14 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.88 1n7p s GLN 825 N 1.17 1.17 -0.26 1.98 -0.21 -0.62 -1.28 119.66 121.62 1n7p s GLN 825 Ca -0.08 -0.22 -0.24 0.00 0.02 0.00 0.00 55.36 54.84 1n7p s GLN 825 Cb -0.13 -1.07 0.07 0.00 1.00 0.00 0.00 33.01 32.88 1n7p s GLN 825 CO -0.04 -0.05 0.69 0.45 -2.12 0.00 0.00 175.29 174.23 1n7p s SER 826 N 0.86 -0.73 0.00 5.90 0.15 -0.36 -0.49 113.70 119.04 1n7p s SER 826 Ca -0.12 1.40 0.05 0.00 0.70 0.00 0.00 55.95 57.98 1n7p s SER 826 Cb -0.15 1.41 -0.02 0.00 -1.71 0.00 0.00 66.02 65.56 1n7p s SER 826 CO 0.01 -0.24 -0.17 -0.69 1.20 0.00 0.00 173.24 173.35 1n7p s VAL 827 N 0.40 1.36 -0.10 4.45 1.01 -0.80 -1.27 120.40 125.44 1n7p s VAL 827 Ca -0.00 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1n7p s VAL 827 Cb -0.05 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1n7p s VAL 827 CO 0.00 0.32 -0.22 -0.47 0.00 0.00 0.00 175.10 174.73 1n7p s TYR 828 N -0.50 2.43 -0.54 5.22 5.04 0.26 -1.46 117.35 127.80 1n7p s TYR 828 Ca 0.06 -1.04 -0.12 0.00 -2.44 0.00 0.00 57.07 53.53 1n7p s TYR 828 Cb -0.07 -1.65 0.13 0.00 0.35 0.00 0.00 41.96 40.73 1n7p s TYR 828 CO -0.00 -0.44 0.45 0.34 -1.34 0.00 0.00 175.55 174.56 1n7p s ASP 829 N 0.49 5.98 0.30 4.32 -1.08 -0.17 -4.50 116.67 122.00 1n7p s ASP 829 Ca -0.16 -1.97 0.02 0.00 -0.52 0.00 0.00 52.55 49.92 1n7p s ASP 829 Cb -0.17 -2.10 0.48 0.00 -1.46 0.00 0.00 42.92 39.66 1n7p s ASP 829 CO 0.06 -0.74 1.82 0.00 0.52 0.00 0.00 175.17 176.83 1n7p h ALA 830 N 8.51 1.24 -0.28 3.66 0.00 -1.92 0.55 119.26 131.03 1n7p h ALA 830 Ca -0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1n7p h ALA 830 Cb 1.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1n7p h ALA 830 CO 0.92 0.50 0.15 0.87 0.00 0.00 0.00 179.25 181.70 1n7p h LYS 831 N 0.60 0.39 0.00 0.00 1.57 -1.95 -2.96 116.57 114.22 1n7p h LYS 831 Ca 0.12 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1n7p h LYS 831 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1n7p h LYS 831 CO 0.02 0.34 -0.51 1.96 -0.57 0.00 0.00 179.45 180.69 1n7p h GLN 832 N 0.34 0.00 -3.32 3.15 4.20 -1.97 -3.48 115.11 114.03 1n7p h GLN 832 Ca 0.10 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.64 1n7p h GLN 832 Cb 0.06 0.00 0.07 0.00 0.30 0.00 0.00 27.48 27.91 1n7p h GLN 832 CO -0.02 0.27 -0.32 0.41 -0.67 0.00 0.00 178.83 178.50 1n7p n GLY 833 N 1.20 0.22 3.17 3.46 0.00 0.11 -4.80 105.19 108.56 1n7p n GLY 833 Ca 0.01 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1n7p n GLY 833 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n7p s VAL 834 N -3.15 1.50 -0.02 1.61 1.01 -0.76 -1.19 120.40 119.40 1n7p s VAL 834 Ca 0.19 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1n7p s VAL 834 Cb -0.08 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1n7p s VAL 834 CO 0.33 0.43 -0.19 0.26 0.00 0.00 0.00 175.10 175.93 1n7p s TRP 835 N -0.18 2.55 -0.07 5.22 0.51 0.31 -1.00 118.94 126.28 1n7p s TRP 835 Ca 0.01 -0.27 0.00 0.00 -2.12 0.00 0.00 56.10 53.72 1n7p s TRP 835 Cb -0.10 -1.56 -0.03 0.00 -0.81 0.00 0.00 33.47 30.97 1n7p s TRP 835 CO 0.01 0.12 -0.05 0.20 -0.51 0.00 0.00 176.95 176.72 1n7p s GLY 836 N -0.81 1.74 -0.05 0.98 0.00 -0.54 -1.16 107.32 107.47 1n7p s GLY 836 Ca 0.11 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.93 1n7p s GLY 836 CO 0.01 -0.64 0.13 -0.42 0.00 0.00 0.00 173.10 172.18 1n7p s ILE 837 N -0.82 -0.02 -0.12 0.90 1.01 -0.22 -1.91 121.20 120.02 1n7p s ILE 837 Ca 0.12 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1n7p s ILE 837 Cb -0.11 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.17 1n7p s ILE 837 CO 0.02 0.03 -0.19 -0.69 0.00 0.00 0.00 174.94 174.10 1n7p s VAL 838 N 0.47 1.80 -0.15 2.92 1.01 0.36 -0.46 120.40 126.35 1n7p s VAL 838 Ca -0.03 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 1n7p s VAL 838 Cb -0.05 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1n7p s VAL 838 CO -0.02 0.50 -0.13 -0.54 0.00 0.00 0.00 175.10 174.91 1n7p s LYS 839 N 0.80 3.33 0.00 2.72 1.02 -0.26 -1.59 119.74 125.77 1n7p s LYS 839 Ca -0.09 -0.70 0.25 0.00 0.02 0.00 0.00 55.97 55.45 1n7p s LYS 839 Cb -0.16 -2.68 0.45 0.00 -0.52 0.00 0.00 37.83 34.93 1n7p s LYS 839 CO 0.00 0.09 1.38 0.66 -0.92 0.00 0.00 175.35 176.56 1n7p n TYR 840 N 3.87 0.00 -4.21 3.18 4.02 -0.29 -1.01 117.16 122.71 1n7p n TYR 840 Ca -0.18 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.53 1n7p n TYR 840 Cb 0.52 -0.07 -0.07 0.00 -0.02 0.00 0.00 39.34 39.70 1n7p n TYR 840 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1n7p s ASP 841 N -2.49 1.39 -0.25 7.72 1.47 -1.26 -4.91 116.67 118.34 1n7p s ASP 841 Ca 0.22 -1.66 0.12 0.00 1.18 0.00 0.00 52.55 52.41 1n7p s ASP 841 Cb 0.19 0.59 0.77 0.00 -0.34 0.00 0.00 42.92 44.13 1n7p s ASP 841 CO 0.54 -1.14 1.72 0.47 0.68 0.00 0.00 175.17 177.44 1n7p n ASP 842 N -1.49 5.35 -4.72 2.11 10.43 -1.26 -2.27 116.55 124.70 1n7p n ASP 842 Ca 0.05 -2.97 -0.31 0.00 2.57 0.00 0.00 54.79 54.13 1n7p n ASP 842 Cb 0.62 -0.70 0.13 0.00 1.84 0.00 0.00 41.12 43.01 1n7p n ASP 842 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1n7p s SER 843 N -0.80 3.68 -0.26 -2.24 1.04 -1.26 -4.72 113.70 109.15 1n7p s SER 843 Ca 0.53 2.07 -0.29 0.00 0.48 0.00 0.00 55.95 58.74 1n7p s SER 843 Cb 0.41 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1n7p s SER 843 CO 0.15 -2.59 1.16 -0.69 0.98 0.00 0.00 173.24 172.25 1n7p s VAL 844 N -2.66 4.41 -0.24 5.02 1.01 -1.26 -4.52 120.40 122.17 1n7p s VAL 844 Ca 0.66 1.66 -0.06 0.00 0.00 0.00 0.00 61.98 64.23 1n7p s VAL 844 Cb -0.21 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1n7p s VAL 844 CO 0.55 -0.34 0.04 -0.44 0.00 0.00 0.00 175.10 174.91 1n7p s SER 845 N 1.88 4.93 -0.13 3.32 0.01 -0.71 -5.00 113.70 118.01 1n7p s SER 845 Ca 0.50 -0.24 -0.16 0.00 1.31 0.00 0.00 55.95 57.36 1n7p s SER 845 Cb -0.16 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1n7p s SER 845 CO 0.15 -0.01 0.39 -0.89 0.41 0.00 0.00 173.24 173.28 1n7p s THR 846 N 1.48 5.23 -0.17 1.44 2.01 -1.26 -1.51 115.64 122.85 1n7p s THR 846 Ca 0.06 0.75 0.01 0.00 0.31 0.00 0.00 61.69 62.82 1n7p s THR 846 Cb -0.15 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.66 1n7p s THR 846 CO 0.02 0.38 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.52 1n7p s ILE 847 N 0.41 1.88 -1.43 1.82 -1.09 0.61 -4.75 121.20 118.65 1n7p s ILE 847 Ca 0.21 -0.87 -0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1n7p s ILE 847 Cb -0.14 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1n7p s ILE 847 CO 0.07 0.47 0.09 -1.20 -1.23 0.00 0.00 174.94 173.15 1n7p n SER 848 N 4.67 -4.97 -4.43 3.58 7.64 -1.26 -1.32 113.62 117.53 1n7p n SER 848 Ca -0.19 0.02 -0.41 0.00 1.01 0.00 0.00 58.87 59.31 1n7p n SER 848 Cb 0.50 -4.15 -0.07 0.00 -1.01 0.00 0.00 64.21 59.48 1n7p n SER 848 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1n7p n ASN 849 N -2.00 -2.15 0.00 6.43 4.13 -1.26 -4.80 115.26 115.61 1n7p n ASN 849 Ca -0.18 -1.16 0.00 0.00 1.68 0.00 0.00 54.58 54.93 1n7p n ASN 849 Cb 0.64 -1.84 0.00 0.00 -1.54 0.00 0.00 39.78 37.04 1n7p n ASN 849 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1n7p n GLN 850 N -4.09 0.00 -3.93 3.52 6.02 -0.43 -5.00 117.38 113.47 1n7p n GLN 850 Ca 0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.02 1n7p n GLN 850 Cb 0.46 -0.88 -0.03 0.00 1.02 0.00 0.00 30.24 30.80 1n7p n GLN 850 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1n7p s PHE 851 N -1.79 0.12 -0.02 1.08 -0.12 -1.12 -1.96 117.98 114.17 1n7p s PHE 851 Ca 0.00 -0.53 0.07 0.00 -0.05 0.00 0.00 56.93 56.41 1n7p s PHE 851 Cb 0.00 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 1n7p s PHE 851 CO 0.00 -1.13 -0.23 -0.65 -0.05 0.00 0.00 175.22 173.16 1n7p s GLN 852 N -3.88 1.93 -0.01 1.99 -0.21 -0.05 -0.29 119.66 119.14 1n7p s GLN 852 Ca 0.17 -0.81 0.05 0.00 0.02 0.00 0.00 55.36 54.80 1n7p s GLN 852 Cb -0.03 -1.81 -0.03 0.00 1.00 0.00 0.00 33.01 32.14 1n7p s GLN 852 CO 0.08 0.46 -0.16 0.14 -2.12 0.00 0.00 175.29 173.69 1n7p s VAL 853 N -0.44 2.89 0.00 1.09 -7.23 -0.57 -1.09 120.40 115.05 1n7p s VAL 853 Ca 0.06 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1n7p s VAL 853 Cb -0.10 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1n7p s VAL 853 CO -0.00 0.48 0.00 0.18 -0.31 0.00 0.00 175.10 175.45 1n7p n LEU 854 N 1.98 0.00 -4.09 1.32 4.77 0.01 -1.74 117.00 119.25 1n7p n LEU 854 Ca -0.16 -0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 55.22 1n7p n LEU 854 Cb 0.52 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.46 1n7p n LEU 854 CO 0.26 0.00 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.32 1n7p s LYS 855 N -1.03 0.99 0.21 3.23 1.02 -1.26 -4.45 119.74 118.46 1n7p s LYS 855 Ca 0.00 -0.51 -0.32 0.00 0.02 0.00 0.00 55.97 55.16 1n7p s LYS 855 Cb 0.00 -0.97 -0.15 0.00 -0.52 0.00 0.00 37.83 36.20 1n7p s LYS 855 CO 0.00 0.26 1.23 -2.13 -0.92 0.00 0.00 175.35 173.79 1n7p n ARG 856 N 2.58 1.47 -1.00 1.68 0.63 -0.96 -4.75 116.66 116.30 1n7p n ARG 856 Ca -0.15 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1n7p n ARG 856 Cb 0.55 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.41 1n7p n ARG 856 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1n7p n GLY 857 N 1.97 0.59 3.03 5.14 0.00 -0.18 -4.82 105.19 110.92 1n7p n GLY 857 Ca 0.13 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.23 1n7p n GLY 857 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n7p s VAL 858 N -2.92 1.03 0.01 1.61 1.01 -0.40 -1.10 120.40 119.64 1n7p s VAL 858 Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1n7p s VAL 858 Cb 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 1n7p s VAL 858 CO 0.00 0.32 -0.11 -0.31 0.00 0.00 0.00 175.10 175.00 1n7p s TYR 859 N 0.43 0.95 -0.09 5.22 1.51 0.39 -0.90 117.35 124.86 1n7p s TYR 859 Ca -0.09 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1n7p s TYR 859 Cb -0.13 -0.60 0.02 0.00 -0.11 0.00 0.00 41.96 41.15 1n7p s TYR 859 CO 0.02 -0.01 -0.08 0.99 -1.11 0.00 0.00 175.55 175.36 1n7p s THR 860 N -0.46 0.98 -0.03 -0.71 2.01 -0.51 -1.06 115.64 115.87 1n7p s THR 860 Ca 0.02 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1n7p s THR 860 Cb -0.05 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.50 1n7p s THR 860 CO 0.00 0.34 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.56 1n7p s ILE 861 N 1.28 0.72 -0.03 1.82 1.01 -0.31 -0.77 121.20 124.92 1n7p s ILE 861 Ca -0.03 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1n7p s ILE 861 Cb -0.14 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 1n7p s ILE 861 CO -0.03 0.24 -0.24 -0.60 0.00 0.00 0.00 174.94 174.31 1n7p s ARG 862 N 0.31 2.06 -0.23 2.79 3.52 -0.06 -0.53 118.95 126.81 1n7p s ARG 862 Ca -0.05 -0.84 -0.09 0.00 -0.13 0.00 0.00 55.73 54.62 1n7p s ARG 862 Cb -0.09 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.34 1n7p s ARG 862 CO 0.01 0.46 0.12 0.21 -0.81 0.00 0.00 175.30 175.29 1n7p s LYS 863 N -0.42 3.99 -0.30 5.12 2.20 -0.33 -0.46 119.74 129.54 1n7p s LYS 863 Ca 0.05 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1n7p s LYS 863 Cb -0.10 -3.43 0.09 0.00 -1.51 0.00 0.00 37.83 32.88 1n7p s LYS 863 CO 0.00 0.08 0.05 -1.21 -0.36 0.00 0.00 175.35 173.91 1n7p s GLU 864 N 0.95 1.20 7.35 4.03 2.02 0.23 -4.79 118.70 129.68 1n7p s GLU 864 Ca 0.06 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 53.69 1n7p s GLU 864 Cb -0.13 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.51 1n7p s GLU 864 CO 0.03 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 174.84 1n7p n GLY 865 N 4.58 2.53 0.26 -1.39 0.00 -1.26 -1.82 105.19 108.09 1n7p n GLY 865 Ca -0.02 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1n7p n GLY 865 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n7p n ASP 866 N 6.19 0.88 -4.86 1.61 8.00 -1.26 -4.93 116.55 122.18 1n7p n ASP 866 Ca 0.00 -1.05 -0.33 0.00 0.71 0.00 0.00 54.79 54.12 1n7p n ASP 866 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1n7p n ASP 866 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1n7p s GLU 867 N -2.22 3.29 -0.11 -1.24 0.41 -0.76 -5.11 118.70 112.95 1n7p s GLU 867 Ca 0.35 -0.41 0.03 0.00 -0.41 0.00 0.00 54.97 54.53 1n7p s GLU 867 Cb 0.21 -2.99 0.01 0.00 -1.78 0.00 0.00 34.13 29.57 1n7p s GLU 867 CO 0.41 0.65 -0.22 0.71 -0.49 0.00 0.00 175.26 176.33 1n7p s TYR 868 N -1.31 2.48 -0.15 1.61 2.02 -1.26 -0.60 117.35 120.14 1n7p s TYR 868 Ca 0.27 -1.12 -0.16 0.00 -0.37 0.00 0.00 57.07 55.69 1n7p s TYR 868 Cb -0.12 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1n7p s TYR 868 CO 0.19 -0.49 0.39 0.15 -1.57 0.00 0.00 175.55 174.22 1n7p s LYS 869 N 0.59 4.28 -0.03 -0.62 1.02 0.39 -4.95 119.74 120.42 1n7p s LYS 869 Ca -0.13 0.27 0.06 0.00 0.02 0.00 0.00 55.97 56.19 1n7p s LYS 869 Cb -0.17 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.68 1n7p s LYS 869 CO 0.04 0.14 -0.21 0.42 -0.92 0.00 0.00 175.35 174.81 1n7p s ILE 870 N 0.72 1.73 -0.21 2.17 1.01 -1.26 -0.88 121.20 124.48 1n7p s ILE 870 Ca 0.21 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 1n7p s ILE 870 Cb -0.14 -1.46 0.06 0.00 0.01 0.00 0.00 42.46 40.93 1n7p s ILE 870 CO 0.07 0.49 -0.04 0.00 0.00 0.00 0.00 174.94 175.46 1n7p s ALA 871 N -0.29 1.71 -0.05 9.38 0.00 0.05 -5.01 121.76 127.55 1n7p s ALA 871 Ca 0.02 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.90 1n7p s ALA 871 Cb -0.10 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 1n7p s ALA 871 CO 0.01 -1.08 -0.19 -0.47 0.00 0.00 0.00 175.76 174.03 1n7p s TYR 872 N 1.52 2.57 -0.02 0.00 5.04 -1.26 -1.42 117.35 123.78 1n7p s TYR 872 Ca -0.03 -0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 1n7p s TYR 872 Cb -0.18 -1.60 0.03 0.00 0.35 0.00 0.00 41.96 40.56 1n7p s TYR 872 CO -0.07 0.05 0.01 -0.47 -1.34 0.00 0.00 175.55 173.74 1n7p s TYR 873 N -0.56 0.16 -0.50 4.97 5.04 -0.08 -4.37 117.35 122.01 1n7p s TYR 873 Ca 0.08 0.06 -0.17 0.00 -2.44 0.00 0.00 57.07 54.60 1n7p s TYR 873 Cb -0.11 -0.30 0.08 0.00 0.35 0.00 0.00 41.96 41.97 1n7p s TYR 873 CO 0.01 -0.10 0.51 1.21 -1.34 0.00 0.00 175.55 175.84 1n7p s ASN 874 N 0.96 6.18 0.53 4.32 3.04 0.70 -1.27 114.94 129.40 1n7p s ASN 874 Ca -0.09 -1.23 0.31 0.00 0.04 0.00 0.00 52.86 51.89 1n7p s ASN 874 Cb -0.12 -2.23 1.43 0.00 -1.54 0.00 0.00 41.25 38.79 1n7p s ASN 874 CO -0.02 -0.79 2.03 1.55 -3.04 0.00 0.00 177.10 176.82 1n7p h PRO 875 N 8.89 0.00 -0.04 0.43 0.14 -1.86 -0.38 132.00 139.19 1n7p h PRO 875 Ca -0.28 0.00 -0.17 0.00 0.14 0.00 0.00 66.00 65.69 1n7p h PRO 875 Cb 1.10 0.00 0.01 0.00 0.14 0.00 0.00 31.00 32.25 1n7p h PRO 875 CO 0.94 0.09 -0.64 0.93 0.14 0.00 0.00 178.00 179.46 1n7p h GLU 876 N 0.00 0.50 -0.00 0.86 5.08 -1.88 -3.25 114.58 115.89 1n7p h GLU 876 Ca -0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1n7p h GLU 876 Cb 0.44 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1n7p h GLU 876 CO 0.01 1.13 -0.48 0.25 -1.00 0.00 0.00 179.01 178.92 1n7p n THR 877 N -4.16 0.00 -3.65 1.13 -2.24 -1.20 -4.98 114.28 99.18 1n7p n THR 877 Ca -0.10 -0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.44 1n7p n THR 877 Cb 0.68 0.33 0.05 0.00 -2.10 0.00 0.00 70.33 69.30 1n7p n THR 877 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n7p n GLN 878 N -1.31 -5.72 -3.97 -0.78 6.02 -0.17 -5.01 117.38 106.45 1n7p n GLN 878 Ca 0.07 0.70 -0.09 0.00 -0.01 0.00 0.00 57.00 57.66 1n7p n GLN 878 Cb 0.34 -5.46 -0.10 0.00 1.02 0.00 0.00 30.24 26.04 1n7p n GLN 878 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1n7p s GLU 879 N -5.93 0.52 0.00 -1.09 2.02 -1.09 -4.99 118.70 108.14 1n7p s GLU 879 Ca 0.14 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.34 1n7p s GLU 879 Cb -0.07 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.36 1n7p s GLU 879 CO 0.79 -0.12 0.00 0.45 0.02 0.00 0.00 175.26 176.40 1n7p n SER 880 N 0.88 0.00 -3.47 -0.19 2.88 -1.26 -0.22 113.62 112.24 1n7p n SER 880 Ca -0.19 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.23 1n7p n SER 880 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1n7p n SER 880 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n7p s ALA 881 N -3.25 -1.70 0.33 -1.46 0.00 -1.26 -4.80 121.76 109.61 1n7p s ALA 881 Ca 0.00 0.82 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 1n7p s ALA 881 Cb 0.00 0.53 -0.12 0.00 0.00 0.00 0.00 23.12 23.53 1n7p s ALA 881 CO 0.00 -0.66 1.35 -2.30 0.00 0.00 0.00 175.76 174.16 1n7p n PRO 882 N -0.07 2.24 -0.27 0.00 -0.02 -1.26 -4.90 135.00 130.72 1n7p n PRO 882 Ca -0.15 0.79 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 1n7p n PRO 882 Cb 0.62 -2.41 0.16 0.00 -0.02 0.00 0.00 33.50 31.85 1n7p n PRO 882 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1n7p h ASP 883 N 2.93 -0.41 0.40 2.55 3.32 -2.00 -1.00 116.42 122.21 1n7p h ASP 883 Ca -0.47 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 1n7p h ASP 883 Cb 1.27 0.38 -0.00 0.00 0.22 0.00 0.00 39.33 41.20 1n7p h ASP 883 CO 0.65 -0.20 -0.01 0.06 -1.72 0.00 0.00 179.24 178.02 1n7p h GLN 884 N 0.08 0.00 0.00 3.56 -0.00 -1.91 -0.88 115.11 115.96 1n7p h GLN 884 Ca 0.43 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.97 1n7p h GLN 884 Cb 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.22 1n7p h GLN 884 CO -0.71 0.01 -0.50 0.93 -0.00 0.00 0.00 178.83 178.56 1n7p h GLU 885 N 0.00 0.00 0.00 0.06 5.08 -1.54 -3.38 114.58 114.80 1n7p h GLU 885 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n7p h GLU 885 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1n7p h GLU 885 CO 0.00 0.50 -0.44 1.33 -1.00 0.00 0.00 179.01 179.40 1n7p n VAL 886 N -3.57 0.00 -3.80 3.13 0.24 -0.86 -4.59 118.33 108.88 1n7p n VAL 886 Ca -0.00 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1n7p n VAL 886 Cb 0.59 0.76 -0.14 0.00 -1.47 0.00 0.00 33.84 33.58 1n7p n VAL 886 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1n7p s PHE 887 N -1.40 -0.07 -0.05 6.34 5.36 -0.39 -0.81 117.98 126.96 1n7p s PHE 887 Ca 0.00 0.24 -0.02 0.00 -0.96 0.00 0.00 56.93 56.19 1n7p s PHE 887 Cb 0.00 -0.06 0.03 0.00 -0.34 0.00 0.00 43.02 42.65 1n7p s PHE 887 CO 0.00 -0.08 0.05 0.21 -1.46 0.00 0.00 175.22 173.93 1n7p s LYS 888 N 0.56 0.11 0.18 10.12 2.20 -0.25 -4.37 119.74 128.29 1n7p s LYS 888 Ca -0.04 0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.56 1n7p s LYS 888 Cb -0.06 -0.67 -0.08 0.00 -1.51 0.00 0.00 37.83 35.50 1n7p s LYS 888 CO -0.02 -0.33 1.27 0.21 -0.36 0.00 0.00 175.35 176.12 1n7p s LYS 889 N 2.12 4.42 0.00 4.03 2.20 -1.26 -0.87 119.74 130.37 1n7p s LYS 889 Ca 0.05 1.98 0.28 0.00 -0.36 0.00 0.00 55.97 57.93 1n7p s LYS 889 Cb -0.12 -3.22 1.12 0.00 -1.51 0.00 0.00 37.83 34.10 1n7p s LYS 889 CO -0.04 -0.21 1.79 1.47 -0.36 0.00 0.00 175.35 178.00