#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqg h ASN 168 N 0.00 0.23 -0.75 1.96 2.35 -2.06 -0.36 115.58 116.95 3kqg h ASN 168 Ca 0.00 0.13 0.11 0.00 -0.55 0.00 0.00 56.30 55.99 3kqg h ASN 168 Cb 0.00 0.12 -0.13 0.00 0.05 0.00 0.00 38.32 38.36 3kqg h ASN 168 CO 0.00 -0.17 -0.42 0.71 -1.65 0.00 0.00 177.43 175.90 3kqg h THR 169 N 0.08 0.07 -0.00 2.81 1.35 -2.06 -0.68 112.91 114.48 3kqg h THR 169 Ca 0.82 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.68 3kqg h THR 169 Cb 2.61 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 3kqg h THR 169 CO -0.40 0.00 -0.30 1.17 -0.25 0.00 0.00 175.52 175.74 3kqg n LYS 170 N -5.41 0.11 -0.01 4.72 4.81 -0.16 -3.69 118.16 118.52 3kqg n LYS 170 Ca 0.05 -0.05 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 3kqg n LYS 170 Cb 0.36 -1.50 -0.12 0.00 0.02 0.00 0.00 35.03 33.79 3kqg n LYS 170 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3kqg h ILE 171 N 0.12 1.53 0.00 3.15 1.08 -0.99 -3.00 117.51 119.40 3kqg h ILE 171 Ca 0.00 -2.08 0.00 0.00 -0.39 0.00 0.00 64.86 62.39 3kqg h ILE 171 Cb 0.49 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 3kqg h ILE 171 CO 0.00 0.58 0.00 0.54 -0.69 0.00 0.00 178.15 178.58 3kqg n ARG 172 N -4.39 0.05 -0.01 2.37 1.74 -0.73 -1.08 116.66 114.61 3kqg n ARG 172 Ca -0.10 0.32 -0.12 0.00 -0.77 0.00 0.00 57.85 57.18 3kqg n ARG 172 Cb 0.59 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 3kqg n ARG 172 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kqg h ALA 173 N 2.38 -0.08 -0.86 7.54 0.00 -1.62 -0.98 119.26 125.65 3kqg h ALA 173 Ca 0.00 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3kqg h ALA 173 Cb 0.24 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3kqg h ALA 173 CO 0.00 -0.19 0.56 -0.07 0.00 0.00 0.00 179.25 179.55 3kqg h LEU 174 N -0.78 0.94 -0.16 0.00 3.38 -1.26 -1.20 115.31 116.23 3kqg h LEU 174 Ca -0.01 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3kqg h LEU 174 Cb 0.63 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3kqg h LEU 174 CO 0.01 0.66 -0.17 -0.61 0.09 0.00 0.00 178.44 178.42 3kqg h GLN 175 N 1.11 -0.20 0.91 1.13 4.15 -1.10 -1.09 115.11 120.01 3kqg h GLN 175 Ca 0.34 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.73 3kqg h GLN 175 Cb -0.03 0.04 0.01 0.00 0.21 0.00 0.00 27.48 27.71 3kqg h GLN 175 CO -0.10 -0.13 -0.45 0.78 -1.93 0.00 0.00 178.83 177.00 3kqg h GLY 176 N -0.20 -1.30 0.97 2.39 0.00 -0.73 -1.91 103.07 102.30 3kqg h GLY 176 Ca 0.11 0.49 0.13 0.00 0.00 0.00 0.00 47.33 48.05 3kqg h GLY 176 CO -0.28 -0.47 0.39 1.48 0.00 0.00 0.00 176.54 177.66 3kqg h SER 177 N -1.24 0.18 -0.20 0.19 4.64 -1.18 -0.90 113.55 115.05 3kqg h SER 177 Ca -0.12 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 3kqg h SER 177 Cb 0.95 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3kqg h SER 177 CO 0.20 0.10 -0.15 0.25 -0.87 0.00 0.00 176.83 176.35 3kqg h LEU 178 N 0.20 0.48 -1.39 5.97 5.85 -0.98 -2.05 115.31 123.39 3kqg h LEU 178 Ca 0.27 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 3kqg h LEU 178 Cb 0.79 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3kqg h LEU 178 CO -0.05 0.83 -0.26 1.05 -0.34 0.00 0.00 178.44 179.67 3kqg h GLU 179 N 0.13 0.00 -0.39 1.25 4.11 -0.43 -2.10 114.58 117.15 3kqg h GLU 179 Ca 0.04 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.37 3kqg h GLU 179 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3kqg h GLU 179 CO 0.04 0.26 -0.15 -0.91 0.07 0.00 0.00 179.01 178.32 3kqg h ASN 180 N 0.00 0.81 -0.42 3.06 2.35 -1.03 -2.30 115.58 118.06 3kqg h ASN 180 Ca -0.00 -0.39 -0.08 0.00 -0.55 0.00 0.00 56.30 55.28 3kqg h ASN 180 Cb 0.61 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3kqg h ASN 180 CO 0.03 1.02 -0.05 0.24 -1.65 0.00 0.00 177.43 177.02 3kqg h MET 181 N 0.60 0.77 -0.69 0.81 2.86 -1.14 -1.39 114.93 116.75 3kqg h MET 181 Ca 0.09 -0.27 0.14 0.00 -2.06 0.00 0.00 59.70 57.60 3kqg h MET 181 Cb 0.70 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 32.20 3kqg h MET 181 CO 0.05 0.88 0.17 1.03 1.06 0.00 0.00 176.91 180.10 3kqg h SER 182 N 0.60 0.04 -0.63 1.22 0.87 -1.34 0.82 113.55 115.12 3kqg h SER 182 Ca 0.11 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.71 3kqg h SER 182 Cb 0.56 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.67 3kqg h SER 182 CO 0.03 -0.00 0.03 0.11 -0.53 0.00 0.00 176.83 176.47 3kqg h LYS 183 N 0.29 1.10 -0.57 2.24 1.57 -1.19 0.01 116.57 120.01 3kqg h LYS 183 Ca 0.38 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3kqg h LYS 183 Cb 0.60 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3kqg h LYS 183 CO -0.46 1.05 0.04 1.25 -0.57 0.00 0.00 179.45 180.76 3kqg h LEU 184 N 1.01 0.96 -0.44 2.94 5.85 0.10 -1.73 115.31 124.00 3kqg h LEU 184 Ca 0.18 -0.29 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 3kqg h LEU 184 Cb 0.53 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3kqg h LEU 184 CO 0.03 1.01 -0.28 0.25 -0.34 0.00 0.00 178.44 179.11 3kqg h LEU 185 N 0.88 1.01 -0.56 2.25 5.85 0.79 -1.82 115.31 123.71 3kqg h LEU 185 Ca 0.17 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.48 3kqg h LEU 185 Cb 0.50 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3kqg h LEU 185 CO 0.02 1.22 0.35 0.50 -0.34 0.00 0.00 178.44 180.19 3kqg h LYS 186 N 0.81 0.69 -0.78 1.25 3.64 -0.87 -1.54 116.57 119.77 3kqg h LYS 186 Ca 0.09 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3kqg h LYS 186 Cb 0.87 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 3kqg h LYS 186 CO 0.08 0.46 0.31 -0.09 -2.27 0.00 0.00 179.45 177.93 3kqg h ARG 187 N 0.71 1.17 -0.31 1.90 2.43 -1.11 -1.20 114.38 117.96 3kqg h ARG 187 Ca 0.22 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3kqg h ARG 187 Cb -0.03 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 3kqg h ARG 187 CO -0.07 0.95 -0.16 1.96 -1.51 0.00 0.00 179.97 181.14 3kqg h GLN 188 N 1.13 0.55 -0.49 0.20 4.20 -1.08 -2.67 115.11 116.95 3kqg h GLN 188 Ca 0.26 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3kqg h GLN 188 Cb 0.22 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3kqg h GLN 188 CO -0.02 0.69 0.10 -0.97 -0.67 0.00 0.00 178.83 177.96 3kqg h ASN 189 N 0.50 0.77 -0.52 1.46 -1.24 -0.62 -0.08 115.58 115.85 3kqg h ASN 189 Ca 0.09 -0.25 0.08 0.00 0.71 0.00 0.00 56.30 56.92 3kqg h ASN 189 Cb 0.56 -0.20 -0.06 0.00 0.73 0.00 0.00 38.32 39.35 3kqg h ASN 189 CO 0.04 0.82 0.18 0.44 -1.29 0.00 0.00 177.43 177.61 3kqg h ASP 190 N 0.68 0.16 -0.16 1.15 3.32 -0.99 0.74 116.42 121.32 3kqg h ASP 190 Ca 0.15 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3kqg h ASP 190 Cb 0.37 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3kqg h ASP 190 CO 0.01 0.11 0.00 0.40 -1.72 0.00 0.00 179.24 178.04 3kqg h ILE 191 N 0.35 1.25 -0.82 0.35 2.04 -1.32 -2.90 117.51 116.46 3kqg h ILE 191 Ca 0.25 -0.84 0.08 0.00 1.00 0.00 0.00 64.86 65.35 3kqg h ILE 191 Cb 0.29 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.80 3kqg h ILE 191 CO -0.27 0.25 0.48 0.25 0.00 0.00 0.00 178.15 178.86 3kqg h LEU 192 N 0.03 0.71 -0.80 1.44 5.85 -0.59 0.04 115.31 122.00 3kqg h LEU 192 Ca 0.05 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3kqg h LEU 192 Cb 0.38 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3kqg h LEU 192 CO 0.01 0.42 0.41 1.56 -0.34 0.00 0.00 178.44 180.51 3kqg h GLN 193 N 0.83 1.12 0.14 1.25 1.08 -0.72 0.85 115.11 119.66 3kqg h GLN 193 Ca 0.38 -0.15 -0.27 0.00 -1.45 0.00 0.00 58.65 57.16 3kqg h GLN 193 Cb 0.29 -0.21 0.03 0.00 -0.05 0.00 0.00 27.48 27.53 3kqg h GLN 193 CO -0.22 0.85 -1.15 0.28 -0.95 0.00 0.00 178.83 177.64 3kqg h VAL 194 N 1.11 1.34 0.00 -0.54 2.07 -1.26 -3.17 116.25 115.80 3kqg h VAL 194 Ca 0.28 -2.48 -0.02 0.00 0.82 0.00 0.00 66.70 65.30 3kqg h VAL 194 Cb 0.07 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3kqg h VAL 194 CO -0.04 0.74 -0.11 0.58 0.02 0.00 0.00 177.57 178.76 3kqg h VAL 195 N 0.09 0.95 0.00 2.57 2.07 -0.90 -0.62 116.25 120.41 3kqg h VAL 195 Ca -0.18 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3kqg h VAL 195 Cb 1.85 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 3kqg h VAL 195 CO 0.22 0.10 0.00 -1.20 0.02 0.00 0.00 177.57 176.71 3kqg n SER 196 N -4.23 0.00 -1.12 0.57 7.64 0.28 -2.24 113.62 114.53 3kqg n SER 196 Ca -0.03 0.30 0.08 0.00 1.01 0.00 0.00 58.87 60.24 3kqg n SER 196 Cb 0.18 -0.41 0.29 0.00 -1.01 0.00 0.00 64.21 63.27 3kqg n SER 196 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kqg n GLN 197 N -1.41 3.37 -0.59 1.43 6.02 -0.25 -4.94 117.38 121.02 3kqg n GLN 197 Ca 0.06 -2.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.17 3kqg n GLN 197 Cb 0.17 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.52 3kqg n GLN 197 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kqg n GLY 198 N -0.16 0.67 3.98 1.08 0.00 -0.95 -5.07 105.19 104.74 3kqg n GLY 198 Ca 0.22 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 3kqg n GLY 198 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kqg s TRP 199 N -2.00 3.06 0.33 1.61 0.52 -1.19 -4.72 118.94 116.55 3kqg s TRP 199 Ca 0.00 -0.13 0.08 0.00 0.02 0.00 0.00 56.10 56.08 3kqg s TRP 199 Cb 0.00 -2.22 -0.04 0.00 -1.15 0.00 0.00 33.47 30.06 3kqg s TRP 199 CO 0.00 -0.26 0.12 0.15 0.02 0.00 0.00 176.95 176.98 3kqg s LYS 200 N -4.36 2.35 -0.00 4.98 -0.14 0.61 -4.32 119.74 118.87 3kqg s LYS 200 Ca 0.49 -1.54 0.00 0.00 -1.36 0.00 0.00 55.97 53.57 3kqg s LYS 200 Cb -0.10 -2.16 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 3kqg s LYS 200 CO 0.34 0.15 -0.01 -0.47 -0.76 0.00 0.00 175.35 174.59 3kqg s TYR 201 N -2.41 0.14 -0.28 3.18 5.04 -1.26 -0.76 117.35 121.00 3kqg s TYR 201 Ca 0.37 -0.02 -0.08 0.00 -2.44 0.00 0.00 57.07 54.89 3kqg s TYR 201 Cb -0.03 -0.11 0.13 0.00 0.35 0.00 0.00 41.96 42.30 3kqg s TYR 201 CO 0.22 -0.01 0.59 0.12 -1.34 0.00 0.00 175.55 175.13 3kqg s PHE 202 N 0.03 -1.25 -1.04 4.97 5.36 -0.49 -5.01 117.98 120.55 3kqg s PHE 202 Ca -0.00 2.08 -0.18 0.00 -0.96 0.00 0.00 56.93 57.88 3kqg s PHE 202 Cb -0.01 0.67 0.01 0.00 -0.34 0.00 0.00 43.02 43.34 3kqg s PHE 202 CO -0.00 -0.65 0.70 1.63 -1.46 0.00 0.00 175.22 175.44 3kqg n LYS 203 N 5.43 -1.01 -1.05 10.12 5.02 -1.26 -2.48 118.16 132.93 3kqg n LYS 203 Ca -0.10 0.52 -0.02 0.00 -2.02 0.00 0.00 58.31 56.69 3kqg n LYS 203 Cb 0.49 -3.30 -0.01 0.00 -0.02 0.00 0.00 35.03 32.20 3kqg n LYS 203 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqg n GLY 204 N -1.81 0.53 2.92 0.72 0.00 -1.26 -5.01 105.19 101.28 3kqg n GLY 204 Ca -0.15 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 3kqg n GLY 204 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kqg s ASN 205 N -2.43 0.09 -0.05 1.61 0.01 -1.03 -1.59 114.94 111.55 3kqg s ASN 205 Ca 0.00 -0.19 -0.04 0.00 -0.71 0.00 0.00 52.86 51.92 3kqg s ASN 205 Cb 0.00 0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.66 3kqg s ASN 205 CO 0.00 -0.12 0.16 -0.36 -1.51 0.00 0.00 177.10 175.27 3kqg s PHE 206 N -0.58 3.54 0.01 2.20 0.08 0.15 -1.40 117.98 121.98 3kqg s PHE 206 Ca -0.06 0.40 0.04 0.00 0.12 0.00 0.00 56.93 57.42 3kqg s PHE 206 Cb -0.04 -1.86 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 3kqg s PHE 206 CO -0.00 0.67 -0.11 0.71 -0.10 0.00 0.00 175.22 176.38 3kqg s TYR 207 N -1.21 0.97 -0.19 0.36 2.02 0.06 -0.97 117.35 118.39 3kqg s TYR 207 Ca 0.23 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.68 3kqg s TYR 207 Cb -0.12 -0.60 0.04 0.00 -0.40 0.00 0.00 41.96 40.87 3kqg s TYR 207 CO 0.13 -0.01 -0.13 -0.47 -1.57 0.00 0.00 175.55 173.51 3kqg s TYR 208 N -0.54 2.55 -0.42 2.71 5.04 0.77 -0.28 117.35 127.18 3kqg s TYR 208 Ca 0.02 -1.63 -0.17 0.00 -2.44 0.00 0.00 57.07 52.85 3kqg s TYR 208 Cb -0.06 -1.72 0.02 0.00 0.35 0.00 0.00 41.96 40.55 3kqg s TYR 208 CO 0.00 -0.76 0.40 -0.06 -1.34 0.00 0.00 175.55 173.79 3kqg s PHE 209 N 1.35 3.19 0.66 4.97 0.08 -1.26 -0.90 117.98 126.07 3kqg s PHE 209 Ca 0.00 -0.48 -0.15 0.00 0.12 0.00 0.00 56.93 56.42 3kqg s PHE 209 Cb -0.15 -2.83 -0.00 0.00 -0.57 0.00 0.00 43.02 39.47 3kqg s PHE 209 CO -0.09 -0.68 1.11 -1.54 -0.10 0.00 0.00 175.22 173.92 3kqg s SER 210 N 1.83 5.13 -0.00 1.36 1.04 -0.54 -4.94 113.70 117.57 3kqg s SER 210 Ca 0.09 2.00 0.22 0.00 0.48 0.00 0.00 55.95 58.74 3kqg s SER 210 Cb -0.18 -2.55 -0.15 0.00 0.10 0.00 0.00 66.02 63.24 3kqg s SER 210 CO 0.12 -1.62 0.95 0.18 0.98 0.00 0.00 173.24 173.85 3kqg n LEU 211 N -2.39 0.90 -4.39 2.42 4.77 -1.26 -4.68 117.00 112.38 3kqg n LEU 211 Ca 0.10 -0.42 -0.32 0.00 -0.03 0.00 0.00 56.01 55.34 3kqg n LEU 211 Cb 0.52 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 3kqg n LEU 211 CO 0.48 0.22 -0.49 -0.51 -1.33 0.00 0.00 177.39 175.76 3kqg s ILE 212 N -3.02 2.74 0.22 -0.08 2.07 -1.26 -5.07 121.20 116.80 3kqg s ILE 212 Ca 0.08 -0.82 -0.18 0.00 -1.41 0.00 0.00 60.65 58.32 3kqg s ILE 212 Cb 0.16 -2.07 -0.08 0.00 0.13 0.00 0.00 42.46 40.60 3kqg s ILE 212 CO 0.85 0.57 0.69 -2.16 -1.91 0.00 0.00 174.94 172.98 3kqg s PRO 213 N -0.33 4.15 0.18 3.50 0.04 -1.26 -4.50 135.00 136.78 3kqg s PRO 213 Ca 0.02 0.75 -0.08 0.00 0.04 0.00 0.00 61.00 61.74 3kqg s PRO 213 Cb -0.13 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 3kqg s PRO 213 CO 0.02 0.38 0.27 0.15 0.04 0.00 0.00 177.00 177.86 3kqg s LYS 214 N -2.13 1.21 0.89 4.56 1.02 -0.03 -4.79 119.74 120.46 3kqg s LYS 214 Ca 0.44 -1.28 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 3kqg s LYS 214 Cb -0.15 0.36 0.12 0.00 -0.52 0.00 0.00 37.83 37.64 3kqg s LYS 214 CO 0.20 -0.44 1.10 0.95 -0.92 0.00 0.00 175.35 176.24 3kqg s THR 215 N -4.01 2.69 0.13 2.17 -4.23 -1.25 -1.33 115.64 109.80 3kqg s THR 215 Ca 0.22 0.22 -0.22 0.00 -1.18 0.00 0.00 61.69 60.74 3kqg s THR 215 Cb 0.04 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 3kqg s THR 215 CO 0.04 -0.29 1.68 -0.25 -0.54 0.00 0.00 174.62 175.25 3kqg h TRP 216 N -1.58 -0.32 -0.55 3.99 7.01 -1.42 -0.46 115.95 122.61 3kqg h TRP 216 Ca -0.48 0.02 0.05 0.00 2.11 0.00 0.00 58.89 60.60 3kqg h TRP 216 Cb 1.27 0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 28.44 3kqg h TRP 216 CO 0.47 -0.19 0.28 1.88 -2.79 0.00 0.00 178.44 178.09 3kqg h TYR 217 N -0.15 0.51 0.00 2.65 0.05 -1.92 -0.70 116.97 117.41 3kqg h TYR 217 Ca 0.09 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.79 3kqg h TYR 217 Cb 0.28 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3kqg h TYR 217 CO -0.25 0.24 -0.47 0.77 -1.05 0.00 0.00 178.16 177.41 3kqg h SER 218 N 0.54 0.00 -0.29 3.88 0.02 -1.86 -2.15 113.55 113.70 3kqg h SER 218 Ca 0.25 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3kqg h SER 218 Cb 0.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3kqg h SER 218 CO -0.17 0.47 -0.03 0.00 -1.14 0.00 0.00 176.83 175.95 3kqg h ALA 219 N 1.53 0.39 -0.38 3.77 0.00 -0.16 -2.05 119.26 122.36 3kqg h ALA 219 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3kqg h ALA 219 Cb 0.96 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3kqg h ALA 219 CO 0.06 0.17 0.19 1.49 0.00 0.00 0.00 179.25 181.16 3kqg h GLU 220 N 0.30 0.54 -0.92 0.00 4.57 -0.87 -1.12 114.58 117.08 3kqg h GLU 220 Ca 0.08 -0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.28 3kqg h GLU 220 Cb 0.49 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 28.90 3kqg h GLU 220 CO 0.02 0.46 0.56 1.96 -1.18 0.00 0.00 179.01 180.84 3kqg h GLN 221 N 0.48 0.93 -0.52 1.92 4.20 -1.38 0.10 115.11 120.84 3kqg h GLN 221 Ca 0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3kqg h GLN 221 Cb 0.09 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3kqg h GLN 221 CO -0.02 0.61 0.29 0.35 -0.67 0.00 0.00 178.83 179.40 3kqg h PHE 222 N 0.95 0.71 -0.30 2.96 3.57 -0.80 -0.98 116.94 123.05 3kqg h PHE 222 Ca 0.43 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.88 3kqg h PHE 222 Cb 0.33 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3kqg h PHE 222 CO -0.03 0.52 0.04 0.00 -2.23 0.00 0.00 178.31 176.61 3kqg h VAL 224 N 0.33 0.80 0.00 0.00 2.07 -0.43 0.20 116.25 119.22 3kqg h VAL 224 Ca 0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3kqg h VAL 224 Cb 0.37 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3kqg h VAL 224 CO 0.01 0.11 0.00 -1.54 0.02 0.00 0.00 177.57 176.16 3kqg n SER 225 N -4.89 0.23 -1.10 0.57 3.41 -0.40 -0.99 113.62 110.46 3kqg n SER 225 Ca 0.12 0.58 0.02 0.00 -0.26 0.00 0.00 58.87 59.32 3kqg n SER 225 Cb 0.31 -0.62 0.23 0.00 -0.26 0.00 0.00 64.21 63.88 3kqg n SER 225 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kqg n ARG 226 N -1.78 2.50 -3.75 4.33 5.12 0.60 -4.96 116.66 118.72 3kqg n ARG 226 Ca 0.02 -2.99 -0.23 0.00 -1.93 0.00 0.00 57.85 52.72 3kqg n ARG 226 Cb 0.12 -1.86 0.03 0.00 -1.16 0.00 0.00 32.46 29.58 3kqg n ARG 226 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kqg n ASN 227 N -0.77 -1.61 -2.30 0.55 5.15 -0.16 -4.96 115.26 111.17 3kqg n ASN 227 Ca 0.28 -0.83 -0.08 0.00 -0.60 0.00 0.00 54.58 53.36 3kqg n ASN 227 Cb 1.00 -3.96 -0.00 0.00 -0.53 0.00 0.00 39.78 36.29 3kqg n ASN 227 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3kqg n SER 228 N -3.02 -1.26 -4.11 1.20 3.41 -0.53 -4.83 113.62 104.48 3kqg n SER 228 Ca -0.25 -2.20 -0.10 0.00 -0.26 0.00 0.00 58.87 56.06 3kqg n SER 228 Cb 0.66 2.19 -0.10 0.00 -0.26 0.00 0.00 64.21 66.69 3kqg n SER 228 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3kqg s HIS 229 N -3.97 0.69 0.23 7.33 3.76 -0.84 -2.33 115.29 120.16 3kqg s HIS 229 Ca 0.15 -0.81 -0.30 0.00 -0.15 0.00 0.00 55.06 53.95 3kqg s HIS 229 Cb -0.02 -0.43 -0.15 0.00 1.11 0.00 0.00 32.58 33.10 3kqg s HIS 229 CO 0.11 -0.19 1.10 1.28 -0.85 0.00 0.00 174.74 176.19 3kqg n LEU 230 N 0.53 1.71 -4.77 0.89 4.77 -1.26 0.38 117.00 119.25 3kqg n LEU 230 Ca -0.16 1.16 -0.39 0.00 -0.03 0.00 0.00 56.01 56.58 3kqg n LEU 230 Cb 0.59 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 3kqg n LEU 230 CO 0.26 -1.32 0.96 0.28 -1.33 0.00 0.00 177.39 176.25 3kqg s THR 231 N -0.59 2.54 0.58 -5.08 -1.32 0.38 -4.01 115.64 108.14 3kqg s THR 231 Ca 0.66 0.46 0.02 0.00 -1.21 0.00 0.00 61.69 61.62 3kqg s THR 231 Cb -0.77 -3.26 0.05 0.00 -1.51 0.00 0.00 72.50 67.01 3kqg s THR 231 CO 0.56 0.05 0.81 -0.94 -2.21 0.00 0.00 174.62 172.89 3kqg s SER 232 N -0.81 5.09 -0.16 8.08 1.04 -1.26 0.41 113.70 126.09 3kqg s SER 232 Ca 0.60 -0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.87 3kqg s SER 232 Cb -0.38 -0.62 0.05 0.00 0.10 0.00 0.00 66.02 65.16 3kqg s SER 232 CO 0.48 -1.29 -0.01 -0.69 0.98 0.00 0.00 173.24 172.71 3kqg s VAL 233 N -2.82 0.77 -0.47 5.02 1.01 -1.26 -4.97 120.40 117.68 3kqg s VAL 233 Ca 0.59 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 62.22 3kqg s VAL 233 Cb -0.09 -1.05 -0.11 0.00 0.00 0.00 0.00 36.38 35.12 3kqg s VAL 233 CO 0.39 0.04 0.43 0.35 0.00 0.00 0.00 175.10 176.31 3kqg n THR 234 N 4.99 0.00 -3.66 3.92 -2.24 -1.26 -5.02 114.28 111.01 3kqg n THR 234 Ca -0.10 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 3kqg n THR 234 Cb 0.48 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 3kqg n THR 234 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kqg s SER 235 N -2.01 -0.29 0.33 3.42 1.04 -1.26 -5.01 113.70 109.92 3kqg s SER 235 Ca 0.04 0.00 0.06 0.00 0.48 0.00 0.00 55.95 56.52 3kqg s SER 235 Cb 0.08 0.42 0.71 0.00 0.10 0.00 0.00 66.02 67.33 3kqg s SER 235 CO 0.42 -0.66 1.88 -0.08 0.98 0.00 0.00 173.24 175.78 3kqg h GLU 236 N 3.02 0.80 -0.59 4.02 4.81 -1.98 0.13 114.58 124.78 3kqg h GLU 236 Ca -0.31 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.89 3kqg h GLU 236 Cb 1.20 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 3kqg h GLU 236 CO 0.43 0.53 0.37 1.03 -0.73 0.00 0.00 179.01 180.64 3kqg h SER 237 N 0.82 0.61 -0.35 1.04 0.87 -1.99 0.22 113.55 114.78 3kqg h SER 237 Ca 0.43 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.91 3kqg h SER 237 Cb 0.52 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3kqg h SER 237 CO -0.19 0.43 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.38 3kqg h GLU 238 N 0.74 0.68 -0.88 2.24 4.81 -1.56 -1.95 114.58 118.65 3kqg h GLU 238 Ca 0.23 -0.26 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3kqg h GLU 238 Cb -0.01 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 3kqg h GLU 238 CO -0.09 0.84 0.58 0.37 -0.73 0.00 0.00 179.01 179.98 3kqg h GLN 239 N 0.47 1.01 -0.17 1.92 5.75 -0.33 -0.44 115.11 123.33 3kqg h GLN 239 Ca 0.09 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.45 3kqg h GLN 239 Cb 0.59 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 3kqg h GLN 239 CO 0.04 0.67 -0.19 1.49 -2.65 0.00 0.00 178.83 178.19 3kqg h GLU 240 N 1.04 0.43 -0.81 1.69 4.81 -0.45 -1.02 114.58 120.28 3kqg h GLU 240 Ca 0.36 -0.23 0.07 0.00 -0.13 0.00 0.00 59.36 59.43 3kqg h GLU 240 Cb 0.12 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 3kqg h GLU 240 CO -0.12 0.80 0.48 0.35 -0.73 0.00 0.00 179.01 179.79 3kqg h PHE 241 N 0.08 0.88 -0.10 0.92 3.57 -0.91 -1.37 116.94 120.01 3kqg h PHE 241 Ca 0.03 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3kqg h PHE 241 Cb 0.73 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 3kqg h PHE 241 CO 0.08 0.41 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.41 3kqg h LEU 242 N 0.85 0.26 -0.79 0.59 3.38 -0.95 -1.33 115.31 117.33 3kqg h LEU 242 Ca 0.37 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3kqg h LEU 242 Cb 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3kqg h LEU 242 CO -0.20 0.68 -0.20 0.10 0.09 0.00 0.00 178.44 178.91 3kqg h TYR 243 N -0.16 0.78 0.03 1.13 -0.00 -1.07 -0.45 116.97 117.23 3kqg h TYR 243 Ca 0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 58.73 58.58 3kqg h TYR 243 Cb 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 36.73 37.15 3kqg h TYR 243 CO 0.09 0.84 -0.01 0.87 -0.00 0.00 0.00 178.16 179.95 3kqg h LYS 244 N 0.62 -0.03 -0.26 0.10 1.79 -1.24 -3.09 116.57 114.44 3kqg h LYS 244 Ca 0.09 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.50 3kqg h LYS 244 Cb 0.68 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 3kqg h LYS 244 CO 0.05 0.23 -0.10 1.15 -1.08 0.00 0.00 179.45 179.70 3kqg h THR 245 N -0.30 1.21 -0.42 -0.16 2.02 -1.13 -1.90 112.91 112.22 3kqg h THR 245 Ca -0.00 -0.91 0.08 0.00 0.77 0.00 0.00 66.41 66.35 3kqg h THR 245 Cb 0.28 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3kqg h THR 245 CO 0.01 0.30 0.29 0.00 0.37 0.00 0.00 175.52 176.48 3kqg h ALA 246 N 1.50 2.09 -6.19 6.16 0.00 -1.01 -3.46 119.26 118.34 3kqg h ALA 246 Ca 0.08 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.53 3kqg h ALA 246 Cb 0.43 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.19 3kqg h ALA 246 CO 0.02 -0.18 -0.81 0.41 0.00 0.00 0.00 179.25 178.70 3kqg n GLY 247 N -1.55 -0.36 1.35 0.00 0.00 -0.72 -2.20 105.19 101.71 3kqg n GLY 247 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3kqg n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqg n GLY 248 N -1.65 2.06 3.92 -0.02 0.00 -1.26 -5.05 105.19 103.20 3kqg n GLY 248 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3kqg n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqg s LEU 249 N 0.00 3.72 -0.09 0.99 1.43 -0.93 -5.00 118.68 118.79 3kqg s LEU 249 Ca 0.00 0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 53.67 3kqg s LEU 249 Cb 0.00 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 3kqg s LEU 249 CO 0.00 -0.54 0.41 -0.63 0.23 0.00 0.00 176.35 175.83 3kqg s ILE 250 N -2.62 5.16 -0.08 -0.59 1.01 -1.26 -4.70 121.20 118.12 3kqg s ILE 250 Ca 0.46 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.93 3kqg s ILE 250 Cb -0.10 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.65 3kqg s ILE 250 CO 0.42 0.42 -0.06 -0.31 0.00 0.00 0.00 174.94 175.42 3kqg s TYR 251 N 0.03 1.10 0.29 3.97 2.02 -0.65 -3.36 117.35 120.76 3kqg s TYR 251 Ca 0.23 -0.44 -0.28 0.00 -0.37 0.00 0.00 57.07 56.21 3kqg s TYR 251 Cb -0.15 -0.97 -0.14 0.00 -0.40 0.00 0.00 41.96 40.30 3kqg s TYR 251 CO 0.10 -0.36 1.07 0.91 -1.57 0.00 0.00 175.55 175.71 3kqg n TRP 252 N 4.62 1.48 -4.43 2.71 5.03 0.10 -0.04 117.44 126.92 3kqg n TRP 252 Ca -0.15 0.67 -0.20 0.00 3.03 0.00 0.00 57.50 60.84 3kqg n TRP 252 Cb 0.50 -2.29 -0.05 0.00 -1.03 0.00 0.00 31.31 28.45 3kqg n TRP 252 CO 0.00 0.00 0.00 0.44 -0.03 0.00 0.00 177.69 178.10 3kqg n ILE 253 N 0.31 0.00 0.94 -0.99 -5.35 -0.68 -1.93 119.36 111.66 3kqg n ILE 253 Ca 0.09 -1.77 0.00 0.00 -0.27 0.00 0.00 62.75 60.80 3kqg n ILE 253 Cb 0.33 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 3kqg n ILE 253 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kqg n GLY 254 N 0.17 0.68 3.69 3.28 0.00 0.17 -4.57 105.19 108.60 3kqg n GLY 254 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3kqg n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kqg s LEU 255 N -0.24 4.26 0.02 0.99 1.43 -1.26 -0.84 118.68 123.04 3kqg s LEU 255 Ca 0.00 1.34 -0.18 0.00 -1.03 0.00 0.00 54.13 54.26 3kqg s LEU 255 Cb 0.00 -3.32 0.03 0.00 0.03 0.00 0.00 46.19 42.93 3kqg s LEU 255 CO 0.00 -0.31 0.41 0.28 0.23 0.00 0.00 176.35 176.95 3kqg s THR 256 N 1.57 0.05 0.42 5.49 -1.32 -0.80 -1.12 115.64 119.93 3kqg s THR 256 Ca 0.43 -0.43 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 3kqg s THR 256 Cb -0.18 -0.87 -0.07 0.00 -1.51 0.00 0.00 72.50 69.87 3kqg s THR 256 CO 0.18 -0.24 0.81 -0.54 -2.21 0.00 0.00 174.62 172.62 3kqg s LYS 257 N -2.05 3.82 -0.32 7.08 1.02 -0.41 -0.71 119.74 128.17 3kqg s LYS 257 Ca -0.08 0.57 0.05 0.00 0.02 0.00 0.00 55.97 56.53 3kqg s LYS 257 Cb -0.02 -2.34 0.19 0.00 -0.52 0.00 0.00 37.83 35.14 3kqg s LYS 257 CO 0.01 -0.07 0.63 0.00 -0.92 0.00 0.00 175.35 174.99 3kqg s ALA 258 N -2.41 -2.52 0.00 5.17 0.00 0.14 -4.89 121.76 117.25 3kqg s ALA 258 Ca 0.53 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3kqg s ALA 258 Cb -0.10 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3kqg s ALA 258 CO 0.31 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.54 3kqg n GLY 259 N 5.16 -0.47 2.73 0.00 0.00 -1.26 -3.13 105.19 108.22 3kqg n GLY 259 Ca 0.07 0.56 -0.30 0.00 0.00 0.00 0.00 46.02 46.35 3kqg n GLY 259 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kqg s GLY 262 N 0.00 1.67 0.13 -0.02 0.00 -1.26 -5.20 107.32 102.65 3kqg s GLY 262 Ca 0.00 -2.57 -0.15 0.00 0.00 0.00 0.00 44.72 42.00 3kqg s GLY 262 CO 0.00 1.51 0.56 0.99 0.00 0.00 0.00 173.10 176.16 3kqg s ASP 263 N 0.41 6.88 0.45 1.64 1.01 -1.18 -4.96 116.67 120.92 3kqg s ASP 263 Ca 0.17 1.12 -0.24 0.00 0.71 0.00 0.00 52.55 54.31 3kqg s ASP 263 Cb -0.24 -2.31 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 3kqg s ASP 263 CO -0.01 0.14 1.23 0.26 0.21 0.00 0.00 175.17 177.00 3kqg s TRP 264 N -1.39 2.78 0.15 4.23 0.52 -1.26 0.26 118.94 124.22 3kqg s TRP 264 Ca 0.36 1.48 -0.16 0.00 0.02 0.00 0.00 56.10 57.80 3kqg s TRP 264 Cb -0.16 -3.53 0.03 0.00 -1.15 0.00 0.00 33.47 28.66 3kqg s TRP 264 CO 0.19 -1.87 0.42 -1.54 0.02 0.00 0.00 176.95 174.17 3kqg s SER 265 N -1.11 -0.20 -0.13 2.95 1.04 0.12 -4.81 113.70 111.55 3kqg s SER 265 Ca 0.62 -0.43 -0.14 0.00 0.48 0.00 0.00 55.95 56.49 3kqg s SER 265 Cb -0.33 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 3kqg s SER 265 CO 0.41 -0.91 0.31 0.26 0.98 0.00 0.00 173.24 174.29 3kqg s TRP 266 N -3.84 3.51 0.31 5.02 0.52 -1.25 -1.91 118.94 121.30 3kqg s TRP 266 Ca 0.06 0.66 0.38 0.00 0.02 0.00 0.00 56.10 57.21 3kqg s TRP 266 Cb 0.01 -2.32 1.80 0.00 -1.15 0.00 0.00 33.47 31.81 3kqg s TRP 266 CO -0.08 0.32 2.13 -0.24 0.02 0.00 0.00 176.95 179.10 3kqg h VAL 267 N 4.51 0.00 -0.31 4.03 3.04 -1.30 0.11 116.25 126.33 3kqg h VAL 267 Ca -0.44 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 3kqg h VAL 267 Cb 1.18 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 3kqg h VAL 267 CO 0.72 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.38 3kqg n ASP 268 N -3.05 2.47 0.00 3.17 5.68 -1.26 -4.89 116.55 118.68 3kqg n ASP 268 Ca -0.01 -2.20 0.00 0.00 -0.50 0.00 0.00 54.79 52.08 3kqg n ASP 268 Cb 0.20 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 3kqg n ASP 268 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kqg n ASP 269 N 0.41 -3.31 -4.69 -1.12 8.00 0.39 -4.96 116.55 111.27 3kqg n ASP 269 Ca 0.12 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.18 3kqg n ASP 269 Cb 0.47 -2.05 -0.04 0.00 -0.02 0.00 0.00 41.12 39.49 3kqg n ASP 269 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3kqg n THR 270 N -2.28 0.02 -1.69 -3.53 -1.04 -1.26 -4.88 114.28 99.63 3kqg n THR 270 Ca 0.00 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 3kqg n THR 270 Cb 0.21 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 66.91 3kqg n THR 270 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3kqg n PRO 271 N 3.82 2.67 -2.79 -2.82 -0.02 -1.26 -3.92 135.00 130.68 3kqg n PRO 271 Ca 0.17 0.97 -0.42 0.00 -2.02 0.00 0.00 63.50 62.19 3kqg n PRO 271 Cb 0.32 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 30.93 3kqg n PRO 271 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3kqg s PHE 272 N 2.46 3.37 -0.56 6.00 5.36 -1.26 -4.96 117.98 128.39 3kqg s PHE 272 Ca 0.82 1.33 -0.18 0.00 -0.96 0.00 0.00 56.93 57.94 3kqg s PHE 272 Cb -0.52 -3.14 0.11 0.00 -0.34 0.00 0.00 43.02 39.13 3kqg s PHE 272 CO 0.38 -0.37 0.60 1.21 -1.46 0.00 0.00 175.22 175.57 3kqg s ASN 273 N 1.22 6.19 0.26 6.13 3.84 -1.26 -4.95 114.94 126.37 3kqg s ASN 273 Ca 0.40 -1.53 -0.02 0.00 0.21 0.00 0.00 52.86 51.92 3kqg s ASN 273 Cb -0.16 -2.26 0.51 0.00 -0.55 0.00 0.00 41.25 38.80 3kqg s ASN 273 CO 0.09 -0.97 1.74 0.11 -2.79 0.00 0.00 177.10 175.28 3kqg h LYS 274 N 9.03 0.48 0.22 0.43 1.57 -1.96 -0.74 116.57 125.60 3kqg h LYS 274 Ca -0.29 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3kqg h LYS 274 Cb 1.09 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3kqg h LYS 274 CO 1.05 0.32 -0.11 0.28 -0.57 0.00 0.00 179.45 180.43 3kqg h VAL 275 N 0.50 0.85 -0.82 0.50 2.07 -2.00 -1.48 116.25 115.86 3kqg h VAL 275 Ca 0.45 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3kqg h VAL 275 Cb 0.68 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 3kqg h VAL 275 CO -0.40 0.14 0.36 -0.61 0.02 0.00 0.00 177.57 177.08 3kqg h GLN 276 N -0.65 1.21 0.00 1.57 4.15 -1.96 -2.66 115.11 116.77 3kqg h GLN 276 Ca -0.03 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.16 3kqg h GLN 276 Cb 0.46 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 3kqg h GLN 276 CO 0.05 0.96 -0.11 0.77 -1.93 0.00 0.00 178.83 178.57 3kqg h SER 277 N 1.19 0.00 -0.74 -0.69 0.02 -1.09 -2.79 113.55 109.44 3kqg h SER 277 Ca 0.28 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.41 3kqg h SER 277 Cb 0.18 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3kqg h SER 277 CO -0.03 0.11 0.51 0.00 -1.14 0.00 0.00 176.83 176.28 3kqg h ALA 278 N 1.89 2.41 0.00 3.77 0.00 -0.89 -0.69 119.26 125.75 3kqg h ALA 278 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kqg h ALA 278 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kqg h ALA 278 CO 0.01 -0.62 -0.10 0.54 0.00 0.00 0.00 179.25 179.08 3kqg n ARG 279 N -4.41 0.10 0.00 0.00 1.74 -1.05 -3.95 116.66 109.08 3kqg n ARG 279 Ca 0.15 0.07 0.10 0.00 -0.77 0.00 0.00 57.85 57.40 3kqg n ARG 279 Cb 0.68 -1.60 -0.09 0.00 -1.02 0.00 0.00 32.46 30.43 3kqg n ARG 279 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kqg n PHE 280 N -1.76 0.01 -2.66 -1.55 3.72 -0.27 -4.18 117.46 110.77 3kqg n PHE 280 Ca 0.06 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.10 3kqg n PHE 280 Cb 0.37 -0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 38.78 3kqg n PHE 280 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3kqg s TRP 281 N -3.05 3.48 0.40 1.38 0.52 -1.23 -0.93 118.94 119.50 3kqg s TRP 281 Ca 0.07 1.71 -0.25 0.00 0.02 0.00 0.00 56.10 57.64 3kqg s TRP 281 Cb 0.16 -3.03 -0.11 0.00 -1.15 0.00 0.00 33.47 29.34 3kqg s TRP 281 CO 0.86 -0.22 1.12 -0.89 0.02 0.00 0.00 176.95 177.83 3kqg n ILE 282 N 0.25 2.40 -1.72 2.03 5.41 -0.16 -4.42 119.36 123.16 3kqg n ILE 282 Ca 0.03 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 62.86 3kqg n ILE 282 Cb 0.50 -1.31 -0.03 0.00 -0.71 0.00 0.00 39.64 38.09 3kqg n ILE 282 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3kqg s PRO 283 N -2.02 4.13 0.00 0.38 0.02 -1.26 -1.24 135.00 135.01 3kqg s PRO 283 Ca 0.61 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.23 3kqg s PRO 283 Cb -0.56 -3.49 0.00 0.00 0.02 0.00 0.00 34.50 30.47 3kqg s PRO 283 CO 0.58 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 3kqg n GLY 284 N 4.18 0.48 3.64 0.52 0.00 -1.26 -5.07 105.19 107.68 3kqg n GLY 284 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3kqg n GLY 284 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kqg s GLU 285 N -0.86 2.36 -0.10 1.61 0.41 -0.37 -3.77 118.70 117.98 3kqg s GLU 285 Ca 0.00 -0.99 -0.30 0.00 -0.41 0.00 0.00 54.97 53.27 3kqg s GLU 285 Cb 0.00 -2.40 -0.02 0.00 -1.78 0.00 0.00 34.13 29.93 3kqg s GLU 285 CO 0.00 0.50 1.09 -2.14 -0.49 0.00 0.00 175.26 174.22 3kqg s PRO 286 N -2.50 4.38 0.00 0.39 0.02 -1.26 -4.61 135.00 131.42 3kqg s PRO 286 Ca 0.25 1.51 0.24 0.00 0.02 0.00 0.00 61.00 63.01 3kqg s PRO 286 Cb -0.11 -3.56 0.22 0.00 0.02 0.00 0.00 34.50 31.07 3kqg s PRO 286 CO 0.17 -0.40 1.23 0.27 -0.33 0.00 0.00 177.00 177.94 3kqg n ASN 287 N 5.22 1.80 -4.12 2.53 6.94 -1.25 -4.97 115.26 121.41 3kqg n ASN 287 Ca 0.10 -1.38 -0.30 0.00 -0.02 0.00 0.00 54.58 52.98 3kqg n ASN 287 Cb 0.47 0.36 -0.04 0.00 -2.36 0.00 0.00 39.78 38.22 3kqg n ASN 287 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3kqg n ASN 288 N -0.12 -1.05 -4.71 0.53 5.15 -1.26 -4.81 115.26 108.99 3kqg n ASN 288 Ca 0.10 -1.06 -0.43 0.00 -0.60 0.00 0.00 54.58 52.59 3kqg n ASN 288 Cb 0.44 -2.66 -0.03 0.00 -0.53 0.00 0.00 39.78 37.00 3kqg n ASN 288 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kqg n ALA 289 N -4.42 2.56 -0.95 5.20 0.00 -1.26 -0.38 120.51 121.27 3kqg n ALA 289 Ca -0.18 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3kqg n ALA 289 Cb 0.62 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3kqg n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqg n GLY 290 N 3.88 0.45 2.56 0.00 0.00 -1.26 -3.48 105.19 107.35 3kqg n GLY 290 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 3kqg n GLY 290 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kqg n ASN 291 N -0.22 -5.20 -2.04 1.61 5.15 0.49 -4.82 115.26 110.24 3kqg n ASN 291 Ca 0.00 0.40 -0.06 0.00 -0.60 0.00 0.00 54.58 54.32 3kqg n ASN 291 Cb 0.11 -4.35 0.06 0.00 -0.53 0.00 0.00 39.78 35.06 3kqg n ASN 291 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3kqg n ASN 292 N -1.13 2.57 -4.09 1.20 5.15 -1.23 -4.98 115.26 112.75 3kqg n ASN 292 Ca -0.16 -2.84 -0.36 0.00 -0.60 0.00 0.00 54.58 50.62 3kqg n ASN 292 Cb 0.61 -0.41 -0.10 0.00 -0.53 0.00 0.00 39.78 39.35 3kqg n ASN 292 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3kqg s GLU 293 N -3.03 2.58 0.00 1.20 2.02 -1.26 -3.83 118.70 116.37 3kqg s GLU 293 Ca 0.37 -2.56 0.09 0.00 0.02 0.00 0.00 54.97 52.90 3kqg s GLU 293 Cb 0.37 -3.73 0.23 0.00 0.10 0.00 0.00 34.13 31.10 3kqg s GLU 293 CO -0.04 -1.18 1.14 0.72 0.02 0.00 0.00 175.26 175.93 3kqg n HIS 294 N 3.44 0.33 -4.31 1.61 8.25 -1.15 -4.57 115.22 118.82 3kqg n HIS 294 Ca 0.08 -0.40 -0.17 0.00 -0.26 0.00 0.00 57.72 56.97 3kqg n HIS 294 Cb 0.38 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.36 3kqg n HIS 294 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kqg s GLY 296 N -3.27 1.10 0.22 0.00 0.00 -0.27 -0.82 107.32 104.29 3kqg s GLY 296 Ca 0.21 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.97 3kqg s GLY 296 CO 0.05 -0.84 0.02 0.54 0.00 0.00 0.00 173.10 172.87 3kqg s ASN 297 N -0.68 1.47 -0.22 1.64 2.20 -0.43 -1.69 114.94 117.23 3kqg s ASN 297 Ca 0.08 -1.25 -0.16 0.00 -0.94 0.00 0.00 52.86 50.60 3kqg s ASN 297 Cb -0.09 0.08 -0.04 0.00 -2.00 0.00 0.00 41.25 39.21 3kqg s ASN 297 CO -0.00 -0.59 0.42 -0.63 -2.94 0.00 0.00 177.10 173.36 3kqg s ILE 298 N -3.58 5.17 0.09 0.54 1.01 0.95 -1.23 121.20 124.14 3kqg s ILE 298 Ca 0.29 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.66 3kqg s ILE 298 Cb 0.06 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.79 3kqg s ILE 298 CO 0.08 0.20 0.00 1.17 0.00 0.00 0.00 174.94 176.40 3kqg n LYS 299 N 4.82 0.00 -3.03 2.79 4.81 0.83 -1.63 118.16 126.75 3kqg n LYS 299 Ca -0.07 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.99 3kqg n LYS 299 Cb 0.51 -0.36 -0.06 0.00 0.02 0.00 0.00 35.03 35.14 3kqg n LYS 299 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kqg s ALA 300 N -2.00 3.40 -1.46 3.14 0.00 -0.78 -4.79 121.76 119.27 3kqg s ALA 300 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.13 3kqg s ALA 300 Cb 0.00 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.14 3kqg s ALA 300 CO 0.00 0.30 2.74 -2.30 0.00 0.00 0.00 175.76 176.49 3kqg n PRO 301 N 0.97 3.29 -3.83 0.00 -0.02 -1.26 -4.41 135.00 129.74 3kqg n PRO 301 Ca -0.03 -2.06 -0.05 0.00 -2.02 0.00 0.00 63.50 59.35 3kqg n PRO 301 Cb 0.50 -2.75 0.01 0.00 -0.02 0.00 0.00 33.50 31.24 3kqg n PRO 301 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kqg s SER 302 N 2.52 -0.06 0.41 2.55 1.04 -1.26 -5.03 113.70 113.88 3kqg s SER 302 Ca 0.62 -0.70 0.09 0.00 0.48 0.00 0.00 55.95 56.44 3kqg s SER 302 Cb 0.16 0.59 0.90 0.00 0.10 0.00 0.00 66.02 67.77 3kqg s SER 302 CO -0.05 -1.14 2.02 -0.07 0.98 0.00 0.00 173.24 174.97 3kqg h LEU 303 N 2.00 0.46 -7.81 2.42 3.38 -1.91 -3.07 115.31 110.78 3kqg h LEU 303 Ca -0.27 -0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.99 3kqg h LEU 303 Cb 1.23 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.74 3kqg h LEU 303 CO 0.33 0.31 1.68 -1.10 0.09 0.00 0.00 178.44 179.76 3kqg s GLN 304 N -5.48 3.99 -0.07 1.13 -0.21 -1.26 -4.41 119.66 113.35 3kqg s GLN 304 Ca -0.08 -2.22 0.08 0.00 0.02 0.00 0.00 55.36 53.16 3kqg s GLN 304 Cb 0.18 -5.27 -0.12 0.00 1.00 0.00 0.00 33.01 28.81 3kqg s GLN 304 CO 0.74 -1.99 0.07 0.00 -2.12 0.00 0.00 175.29 171.99 3kqg n ALA 305 N 7.00 1.92 -1.78 6.09 0.00 -0.11 -3.90 120.51 129.73 3kqg n ALA 305 Ca 0.41 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 3kqg n ALA 305 Cb 0.45 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 3kqg n ALA 305 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kqg s TRP 306 N -2.32 3.50 0.02 0.00 0.51 -0.57 -0.12 118.94 119.96 3kqg s TRP 306 Ca -0.04 1.65 0.06 0.00 -2.12 0.00 0.00 56.10 55.65 3kqg s TRP 306 Cb 0.03 -3.34 -0.02 0.00 -0.81 0.00 0.00 33.47 29.33 3kqg s TRP 306 CO 0.37 -0.75 -0.18 1.21 -0.51 0.00 0.00 176.95 177.09 3kqg s ASN 307 N -0.78 2.17 0.00 2.95 2.47 -0.37 -0.98 114.94 120.41 3kqg s ASN 307 Ca 0.45 -0.42 -0.19 0.00 0.42 0.00 0.00 52.86 53.12 3kqg s ASN 307 Cb -0.33 -0.20 -0.06 0.00 -1.45 0.00 0.00 41.25 39.21 3kqg s ASN 307 CO 0.42 0.16 0.54 1.51 -3.72 0.00 0.00 177.10 176.02 3kqg s ASP 308 N -0.84 6.93 0.13 -4.21 -4.77 -1.26 -1.31 116.67 111.33 3kqg s ASP 308 Ca 0.06 1.10 -0.04 0.00 -3.30 0.00 0.00 52.55 50.38 3kqg s ASP 308 Cb -0.08 -2.33 -0.03 0.00 -1.09 0.00 0.00 42.92 39.39 3kqg s ASP 308 CO 0.01 0.17 0.12 0.00 0.70 0.00 0.00 175.17 176.17 3kqg s ALA 309 N -0.47 0.50 0.19 2.11 0.00 0.00 -4.81 121.76 119.27 3kqg s ALA 309 Ca 0.28 -1.21 -0.31 0.00 0.00 0.00 0.00 51.96 50.72 3kqg s ALA 309 Cb -0.18 0.76 -0.10 0.00 0.00 0.00 0.00 23.12 23.60 3kqg s ALA 309 CO 0.16 -0.52 1.47 -2.14 0.00 0.00 0.00 175.76 174.73 3kqg s PRO 310 N -3.99 4.27 0.65 0.00 0.02 -1.25 -2.34 135.00 132.35 3kqg s PRO 310 Ca 0.18 2.26 0.27 0.00 0.02 0.00 0.00 61.00 63.74 3kqg s PRO 310 Cb 0.06 -3.16 1.47 0.00 0.02 0.00 0.00 34.50 32.89 3kqg s PRO 310 CO -0.01 -0.48 1.84 0.00 -0.33 0.00 0.00 177.00 178.01 3kqg n ASP 312 N -3.00 0.69 -4.76 0.00 5.68 -1.26 -1.65 116.55 112.25 3kqg n ASP 312 Ca 0.00 -0.54 -0.36 0.00 -0.50 0.00 0.00 54.79 53.39 3kqg n ASP 312 Cb 0.49 0.09 0.02 0.00 -1.14 0.00 0.00 41.12 40.58 3kqg n ASP 312 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3kqg s LYS 313 N -2.69 3.17 -0.31 0.11 -0.14 -0.24 -4.72 119.74 114.92 3kqg s LYS 313 Ca 0.20 1.85 -0.08 0.00 -1.36 0.00 0.00 55.97 56.58 3kqg s LYS 313 Cb 0.19 -2.06 0.01 0.00 -1.68 0.00 0.00 37.83 34.29 3kqg s LYS 313 CO 0.57 -1.05 0.12 0.95 -0.76 0.00 0.00 175.35 175.18 3kqg s THR 314 N -1.57 4.23 0.19 2.17 -4.23 -1.26 -3.84 115.64 111.33 3kqg s THR 314 Ca 0.74 -0.67 0.05 0.00 -1.18 0.00 0.00 61.69 60.63 3kqg s THR 314 Cb -0.31 -3.21 -0.05 0.00 1.34 0.00 0.00 72.50 70.27 3kqg s THR 314 CO 0.34 0.01 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.00 3kqg s PHE 315 N 1.53 1.49 1.17 3.99 0.08 -0.44 -4.69 117.98 121.10 3kqg s PHE 315 Ca 0.03 -0.77 -0.15 0.00 0.12 0.00 0.00 56.93 56.16 3kqg s PHE 315 Cb -0.18 -0.78 0.23 0.00 -0.57 0.00 0.00 43.02 41.72 3kqg s PHE 315 CO 0.04 0.11 0.67 1.28 -0.10 0.00 0.00 175.22 177.22 3kqg n LEU 316 N -0.33 -1.91 -3.79 -0.37 4.77 -1.21 -0.85 117.00 113.31 3kqg n LEU 316 Ca -0.08 -0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.63 3kqg n LEU 316 Cb 0.62 -1.15 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 3kqg n LEU 316 CO 0.35 -3.27 0.09 0.72 -1.33 0.00 0.00 177.39 173.95 3kqg s PHE 317 N -2.34 0.05 -0.14 -1.77 -0.12 -1.26 0.02 117.98 112.41 3kqg s PHE 317 Ca 0.64 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 57.12 3kqg s PHE 317 Cb -0.21 0.15 0.02 0.00 -0.63 0.00 0.00 43.02 42.35 3kqg s PHE 317 CO 0.66 -0.73 -0.14 0.42 -0.05 0.00 0.00 175.22 175.38 3kqg s ILE 318 N -3.88 1.49 0.19 -4.49 1.01 -0.81 -1.46 121.20 113.25 3kqg s ILE 318 Ca 0.09 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3kqg s ILE 318 Cb 0.02 -1.40 -0.06 0.00 0.01 0.00 0.00 42.46 41.03 3kqg s ILE 318 CO -0.06 0.44 0.43 0.00 0.00 0.00 0.00 174.94 175.76 3kqg s LYS 320 N -2.90 0.67 -0.06 0.00 2.20 0.16 -0.16 119.74 119.65 3kqg s LYS 320 Ca 0.42 -0.16 -0.08 0.00 -0.36 0.00 0.00 55.97 55.79 3kqg s LYS 320 Cb -0.12 -0.67 0.02 0.00 -1.51 0.00 0.00 37.83 35.55 3kqg s LYS 320 CO 0.25 0.03 0.20 -0.98 -0.36 0.00 0.00 175.35 174.50 3kqg s ARG 321 N 0.39 0.34 0.36 4.03 1.70 -0.14 -1.99 118.95 123.64 3kqg s ARG 321 Ca -0.05 0.10 -0.28 0.00 -0.47 0.00 0.00 55.73 55.02 3kqg s ARG 321 Cb -0.09 0.15 -0.11 0.00 -0.57 0.00 0.00 34.95 34.34 3kqg s ARG 321 CO -0.00 -0.06 1.43 -2.14 -1.08 0.00 0.00 175.30 173.44 3kqg s PRO 322 N -0.35 4.20 0.08 3.89 0.02 -1.26 0.30 135.00 141.87 3kqg s PRO 322 Ca -0.04 2.45 -0.31 0.00 0.02 0.00 0.00 61.00 63.12 3kqg s PRO 322 Cb -0.03 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 31.42 3kqg s PRO 322 CO 0.01 -0.41 1.20 -0.47 -0.33 0.00 0.00 177.00 177.00 3kqg s TYR 323 N -1.09 3.44 -0.08 6.54 5.04 -0.62 -4.72 117.35 125.86 3kqg s TYR 323 Ca 0.52 1.31 -0.03 0.00 -2.44 0.00 0.00 57.07 56.43 3kqg s TYR 323 Cb -0.44 -3.43 0.04 0.00 0.35 0.00 0.00 41.96 38.48 3kqg s TYR 323 CO 0.59 -1.29 0.05 0.54 -1.34 0.00 0.00 175.55 174.10 3kqg s VAL 324 N 0.94 0.04 -2.00 3.14 0.11 -1.26 -4.91 120.40 116.46 3kqg s VAL 324 Ca 0.58 0.18 0.21 0.00 -2.93 0.00 0.00 61.98 60.02 3kqg s VAL 324 Cb -0.30 -0.37 0.59 0.00 -1.53 0.00 0.00 36.38 34.77 3kqg s VAL 324 CO 0.30 0.08 1.63 -2.65 -3.33 0.00 0.00 175.10 171.12