#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4i n GLY 249 N 0.00 0.91 3.42 1.37 0.00 -1.26 -5.08 105.19 104.54 3g4i n GLY 249 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3g4i n GLY 249 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g4i s VAL 250 N -2.09 2.65 0.43 1.61 -7.23 -1.26 -5.11 120.40 109.40 3g4i s VAL 250 Ca 0.00 -0.99 -0.24 0.00 -1.81 0.00 0.00 61.98 58.93 3g4i s VAL 250 Cb 0.00 -2.03 -0.10 0.00 0.56 0.00 0.00 36.38 34.81 3g4i s VAL 250 CO 0.00 0.51 1.11 0.29 -0.31 0.00 0.00 175.10 176.69 3g4i n LYS 251 N 2.12 1.54 -0.88 4.82 5.02 -1.26 -5.00 118.16 124.51 3g4i n LYS 251 Ca -0.17 0.55 -0.30 0.00 -2.02 0.00 0.00 58.31 56.38 3g4i n LYS 251 Cb 0.52 -2.17 0.17 0.00 -0.02 0.00 0.00 35.03 33.53 3g4i n LYS 251 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3g4i s THR 252 N -1.25 2.36 0.23 -0.18 -1.32 -1.26 -4.80 115.64 109.42 3g4i s THR 252 Ca 0.63 0.12 -0.03 0.00 -1.21 0.00 0.00 61.69 61.20 3g4i s THR 252 Cb -0.53 -2.35 0.06 0.00 -1.51 0.00 0.00 72.50 68.17 3g4i s THR 252 CO 0.57 -0.15 1.67 -0.33 -2.21 0.00 0.00 174.62 174.16 3g4i h GLU 253 N -1.90 0.76 -0.47 7.08 4.39 -1.99 -0.83 114.58 121.61 3g4i h GLU 253 Ca -0.50 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 58.92 3g4i h GLU 253 Cb 1.29 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 3g4i h GLU 253 CO 0.49 0.87 0.29 0.37 -1.16 0.00 0.00 179.01 179.87 3g4i h GLN 254 N 0.68 0.64 -0.86 2.33 4.15 -1.96 -1.26 115.11 118.83 3g4i h GLN 254 Ca 0.11 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.49 3g4i h GLN 254 Cb 0.65 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.16 3g4i h GLN 254 CO 0.05 0.46 0.57 0.93 -1.93 0.00 0.00 178.83 178.90 3g4i h GLU 255 N 0.63 1.09 -0.31 1.69 5.08 -1.80 0.37 114.58 121.33 3g4i h GLU 255 Ca 0.17 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3g4i h GLU 255 Cb -0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3g4i h GLU 255 CO -0.03 0.72 -0.02 0.22 -1.00 0.00 0.00 179.01 178.90 3g4i h ASP 256 N 1.12 0.55 -0.86 1.42 1.82 -0.81 0.54 116.42 120.20 3g4i h ASP 256 Ca 0.33 -0.32 -0.03 0.00 -0.39 0.00 0.00 57.03 56.62 3g4i h ASP 256 Cb -0.05 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 39.77 3g4i h ASP 256 CO -0.09 0.74 0.44 0.58 -1.61 0.00 0.00 179.24 179.30 3g4i h VAL 257 N 0.35 1.26 -0.26 2.25 2.07 -0.89 -1.00 116.25 120.03 3g4i h VAL 257 Ca 0.09 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3g4i h VAL 257 Cb 0.47 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3g4i h VAL 257 CO 0.02 0.31 0.16 0.25 0.02 0.00 0.00 177.57 178.33 3g4i h LEU 258 N 1.22 0.30 -0.97 2.57 5.85 -0.77 -2.09 115.31 121.43 3g4i h LEU 258 Ca 0.30 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.03 3g4i h LEU 258 Cb 0.09 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3g4i h LEU 258 CO -0.04 0.24 0.63 0.00 -0.34 0.00 0.00 178.44 178.93 3g4i h ALA 259 N 1.07 1.30 -0.59 1.25 0.00 -0.51 -1.49 119.26 120.29 3g4i h ALA 259 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3g4i h ALA 259 Cb -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3g4i h ALA 259 CO -0.02 0.49 0.06 0.87 0.00 0.00 0.00 179.25 180.64 3g4i h LYS 260 N 1.20 0.98 -0.52 0.00 1.57 -0.95 -2.81 116.57 116.05 3g4i h LYS 260 Ca 0.39 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3g4i h LYS 260 Cb 0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3g4i h LYS 260 CO -0.14 0.93 0.06 0.93 -0.57 0.00 0.00 179.45 180.67 3g4i h GLU 261 N 0.91 0.83 0.00 3.15 4.39 -0.66 -2.61 114.58 120.60 3g4i h GLU 261 Ca 0.18 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3g4i h GLU 261 Cb 0.46 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3g4i h GLU 261 CO 0.02 0.80 0.00 1.28 -1.16 0.00 0.00 179.01 179.94 3g4i n LEU 262 N -4.24 0.03 0.25 1.33 4.77 -0.63 -2.18 117.00 116.32 3g4i n LEU 262 Ca 0.03 0.51 0.17 0.00 -0.03 0.00 0.00 56.01 56.69 3g4i n LEU 262 Cb 0.27 -0.50 0.83 0.00 -2.33 0.00 0.00 43.42 41.69 3g4i n LEU 262 CO 0.41 -0.29 1.00 -0.33 -1.33 0.00 0.00 177.39 176.86 3g4i h GLU 263 N 0.00 0.00 -0.64 3.23 5.08 -1.31 -1.78 114.58 119.16 3g4i h GLU 263 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g4i h GLU 263 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3g4i h GLU 263 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 3g4i n ASP 264 N -2.74 3.63 0.23 1.42 8.00 -0.93 -4.52 116.55 121.63 3g4i n ASP 264 Ca -0.01 -2.40 0.13 0.00 0.71 0.00 0.00 54.79 53.22 3g4i n ASP 264 Cb 0.14 -0.52 0.76 0.00 -0.02 0.00 0.00 41.12 41.48 3g4i n ASP 264 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3g4i h VAL 265 N 2.76 0.73 -0.30 2.53 3.04 -1.53 -1.57 116.25 121.91 3g4i h VAL 265 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3g4i h VAL 265 Cb 1.19 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3g4i h VAL 265 CO 0.21 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.36 3g4i n ASN 266 N -4.18 2.02 -4.51 3.17 3.02 -1.26 -4.77 115.26 108.74 3g4i n ASN 266 Ca -0.01 -1.88 -0.32 0.00 -0.03 0.00 0.00 54.58 52.34 3g4i n ASN 266 Cb 0.19 -0.20 -0.12 0.00 -0.61 0.00 0.00 39.78 39.04 3g4i n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3g4i s LYS 267 N -1.60 2.46 0.11 3.52 1.02 -0.59 -4.86 119.74 119.80 3g4i s LYS 267 Ca 0.30 -0.73 -0.31 0.00 0.02 0.00 0.00 55.97 55.24 3g4i s LYS 267 Cb 0.16 -2.40 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 3g4i s LYS 267 CO 0.22 0.61 1.53 -0.46 -0.92 0.00 0.00 175.35 176.34 3g4i s TRP 268 N -0.84 2.91 0.00 3.18 -0.11 -1.26 -3.02 118.94 119.80 3g4i s TRP 268 Ca 0.13 0.63 0.00 0.00 1.22 0.00 0.00 56.10 58.09 3g4i s TRP 268 Cb -0.11 -3.86 0.00 0.00 -1.50 0.00 0.00 33.47 28.01 3g4i s TRP 268 CO 0.03 -3.21 0.00 0.41 -4.62 0.00 0.00 176.95 169.56 3g4i n GLY 269 N 3.75 0.82 3.45 5.86 0.00 -1.26 -4.98 105.19 112.83 3g4i n GLY 269 Ca 0.14 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 3g4i n GLY 269 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g4i n LEU 270 N 0.00 -0.31 -3.96 0.99 7.94 -1.17 -4.81 117.00 115.69 3g4i n LEU 270 Ca 0.00 1.08 -0.41 0.00 -1.11 0.00 0.00 56.01 55.57 3g4i n LEU 270 Cb 0.02 -1.07 -0.02 0.00 0.53 0.00 0.00 43.42 42.88 3g4i n LEU 270 CO 0.00 -2.62 2.30 1.41 -1.11 0.00 0.00 177.39 177.37 3g4i n HIS 271 N -0.17 3.32 0.08 1.96 8.25 -1.26 -4.76 115.22 122.63 3g4i n HIS 271 Ca 0.14 -2.55 -0.02 0.00 -0.26 0.00 0.00 57.72 55.03 3g4i n HIS 271 Cb 0.31 -2.39 0.24 0.00 1.12 0.00 0.00 29.99 29.27 3g4i n HIS 271 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3g4i h VAL 272 N 4.63 1.28 -0.11 1.59 3.04 -1.99 -2.00 116.25 122.69 3g4i h VAL 272 Ca 0.48 -1.36 -0.16 0.00 -1.01 0.00 0.00 66.70 64.64 3g4i h VAL 272 Cb 0.72 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 3g4i h VAL 272 CO 1.76 0.41 -0.63 -0.26 -1.01 0.00 0.00 177.57 177.84 3g4i h PHE 273 N 0.26 0.52 -0.48 3.17 0.04 -1.97 -1.40 116.94 117.08 3g4i h PHE 273 Ca 0.03 -0.21 -0.06 0.00 2.80 0.00 0.00 57.97 60.53 3g4i h PHE 273 Cb 0.72 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 3g4i h PHE 273 CO 0.02 0.93 0.06 -0.09 -0.60 0.00 0.00 178.31 178.62 3g4i h ARG 274 N 0.29 0.81 -0.95 1.51 2.43 -1.88 -2.31 114.38 114.29 3g4i h ARG 274 Ca -0.01 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 58.95 3g4i h ARG 274 Cb 1.18 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 3g4i h ARG 274 CO 0.11 0.83 0.62 0.82 -1.51 0.00 0.00 179.97 180.84 3g4i h ILE 275 N 0.68 1.21 -0.57 1.20 2.04 -1.28 0.33 117.51 121.13 3g4i h ILE 275 Ca 0.15 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.63 3g4i h ILE 275 Cb 0.42 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.30 3g4i h ILE 275 CO 0.01 0.23 0.30 0.00 0.00 0.00 0.00 178.15 178.69 3g4i h ALA 276 N 1.36 0.74 -0.04 1.87 0.00 -1.02 -1.31 119.26 120.85 3g4i h ALA 276 Ca 0.36 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3g4i h ALA 276 Cb -0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3g4i h ALA 276 CO -0.09 -0.04 -0.04 0.93 0.00 0.00 0.00 179.25 180.01 3g4i h GLU 277 N 0.57 0.10 0.00 0.00 5.08 -0.95 0.88 114.58 120.26 3g4i h GLU 277 Ca 0.25 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3g4i h GLU 277 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3g4i h GLU 277 CO -0.17 0.55 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.16 3g4i h LEU 278 N -0.34 0.00 -1.17 1.33 3.38 -0.86 -2.70 115.31 114.95 3g4i h LEU 278 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3g4i h LEU 278 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3g4i h LEU 278 CO 0.01 0.16 0.00 -1.54 0.09 0.00 0.00 178.44 177.16 3g4i n SER 279 N -4.18 1.75 -2.18 -0.43 3.41 -0.50 -4.83 113.62 106.66 3g4i n SER 279 Ca -0.02 -1.74 -0.11 0.00 -0.26 0.00 0.00 58.87 56.73 3g4i n SER 279 Cb 0.24 -0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.11 3g4i n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g4i n GLY 280 N 1.14 0.11 3.58 5.00 0.00 -1.02 -3.30 105.19 110.71 3g4i n GLY 280 Ca 0.16 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 3g4i n GLY 280 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g4i n ASN 281 N -1.32 -5.21 -2.20 1.61 5.15 0.30 -4.95 115.26 108.65 3g4i n ASN 281 Ca -0.05 -0.58 -0.23 0.00 -0.60 0.00 0.00 54.58 53.12 3g4i n ASN 281 Cb 0.55 -4.98 0.02 0.00 -0.53 0.00 0.00 39.78 34.84 3g4i n ASN 281 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3g4i n ARG 282 N -4.78 3.41 -0.31 1.20 5.12 -1.21 -4.88 116.66 115.20 3g4i n ARG 282 Ca -0.06 -4.20 -0.01 0.00 -1.93 0.00 0.00 57.85 51.65 3g4i n ARG 282 Cb 0.59 -2.21 0.16 0.00 -1.16 0.00 0.00 32.46 29.83 3g4i n ARG 282 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g4i h PRO 283 N 2.32 1.19 -0.23 5.56 0.13 -1.82 -1.48 132.00 137.69 3g4i h PRO 283 Ca 0.31 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 65.26 3g4i h PRO 283 Cb 1.36 -0.26 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3g4i h PRO 283 CO 0.74 0.80 -0.26 1.25 -0.23 0.00 0.00 178.00 180.30 3g4i h LEU 284 N 1.23 0.62 0.01 1.56 5.85 -1.90 -1.37 115.31 121.30 3g4i h LEU 284 Ca 0.33 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3g4i h LEU 284 Cb -0.12 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.74 3g4i h LEU 284 CO -0.07 0.99 -0.00 0.74 -0.34 0.00 0.00 178.44 179.75 3g4i h THR 285 N 0.27 1.06 -0.34 1.05 2.02 -1.80 -1.15 112.91 114.01 3g4i h THR 285 Ca 0.03 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 3g4i h THR 285 Cb 0.83 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 3g4i h THR 285 CO 0.06 0.05 -0.30 -0.37 0.37 0.00 0.00 175.52 175.33 3g4i h VAL 286 N -0.09 1.29 -0.30 3.16 -1.51 -1.29 -0.60 116.25 116.90 3g4i h VAL 286 Ca -0.00 -1.46 -0.05 0.00 -1.23 0.00 0.00 66.70 63.96 3g4i h VAL 286 Cb 0.09 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 3g4i h VAL 286 CO 0.00 0.48 -0.01 0.40 -1.23 0.00 0.00 177.57 177.22 3g4i h ILE 287 N 0.59 1.26 -0.39 7.19 2.04 -1.29 -1.16 117.51 125.75 3g4i h ILE 287 Ca 0.06 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3g4i h ILE 287 Cb 0.87 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3g4i h ILE 287 CO 0.08 0.31 0.24 0.24 0.00 0.00 0.00 178.15 179.02 3g4i h MET 288 N 0.32 0.52 -0.35 2.37 2.86 -1.16 -1.80 114.93 117.68 3g4i h MET 288 Ca 0.08 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3g4i h MET 288 Cb 0.44 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3g4i h MET 288 CO 0.02 0.37 0.21 1.25 1.06 0.00 0.00 176.91 179.83 3g4i h HIS 289 N 0.52 0.40 -0.35 -0.22 -0.00 -1.00 0.06 115.15 114.56 3g4i h HIS 289 Ca 0.14 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.57 3g4i h HIS 289 Cb -0.02 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.22 3g4i h HIS 289 CO -0.04 0.24 0.11 1.15 -0.00 0.00 0.00 177.93 179.39 3g4i h THR 290 N 0.44 0.88 -0.37 6.26 2.02 -1.05 -1.51 112.91 119.58 3g4i h THR 290 Ca 0.14 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 3g4i h THR 290 Cb -0.01 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3g4i h THR 290 CO -0.06 0.05 0.06 0.40 0.37 0.00 0.00 175.52 176.34 3g4i h ILE 291 N 0.25 1.24 -0.51 3.11 2.04 -1.00 -0.26 117.51 122.37 3g4i h ILE 291 Ca 0.16 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.23 3g4i h ILE 291 Cb 0.15 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3g4i h ILE 291 CO -0.18 0.28 0.25 -0.26 0.00 0.00 0.00 178.15 178.25 3g4i h PHE 292 N 0.45 0.47 -0.19 1.37 -1.00 -0.81 -0.47 116.94 116.76 3g4i h PHE 292 Ca 0.11 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 3g4i h PHE 292 Cb 0.36 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 3g4i h PHE 292 CO 0.02 0.22 0.09 1.96 -1.61 0.00 0.00 178.31 179.00 3g4i h GLN 293 N 0.49 0.27 -0.83 1.51 1.08 -1.11 0.75 115.11 117.28 3g4i h GLN 293 Ca 0.23 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.41 3g4i h GLN 293 Cb 0.15 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 3g4i h GLN 293 CO -0.17 0.29 0.54 1.49 -0.95 0.00 0.00 178.83 180.04 3g4i h GLU 294 N 0.18 1.06 -0.16 1.46 4.57 -0.79 -2.25 114.58 118.65 3g4i h GLU 294 Ca 0.07 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3g4i h GLU 294 Cb 0.11 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 3g4i h GLU 294 CO -0.01 0.70 0.00 0.54 -1.18 0.00 0.00 179.01 179.06 3g4i n ARG 295 N -4.53 1.78 -2.76 1.92 1.74 -0.21 -4.94 116.66 109.66 3g4i n ARG 295 Ca 0.09 -1.17 -0.22 0.00 -0.77 0.00 0.00 57.85 55.79 3g4i n ARG 295 Cb 0.04 -1.41 0.02 0.00 -1.02 0.00 0.00 32.46 30.09 3g4i n ARG 295 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3g4i n ASP 296 N 0.40 -6.02 0.18 0.55 2.03 -0.58 -4.91 116.55 108.20 3g4i n ASP 296 Ca 0.17 -0.18 0.05 0.00 0.52 0.00 0.00 54.79 55.35 3g4i n ASP 296 Cb 0.35 -4.91 0.32 0.00 -0.72 0.00 0.00 41.12 36.16 3g4i n ASP 296 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3g4i h LEU 297 N -0.82 0.00 -0.18 -2.67 3.38 -1.16 -2.32 115.31 111.54 3g4i h LEU 297 Ca -0.51 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 3g4i h LEU 297 Cb 1.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3g4i h LEU 297 CO 0.57 0.39 -0.01 -0.07 0.09 0.00 0.00 178.44 179.41 3g4i h LEU 298 N 0.00 0.31 -0.07 1.67 4.07 -1.88 -1.64 115.31 117.77 3g4i h LEU 298 Ca -0.00 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.62 3g4i h LEU 298 Cb 0.92 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.57 3g4i h LEU 298 CO 0.05 0.56 -0.00 0.11 -1.08 0.00 0.00 178.44 178.08 3g4i h LYS 299 N 0.06 0.13 -0.60 1.13 1.57 -1.86 0.10 116.57 117.11 3g4i h LYS 299 Ca 0.05 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3g4i h LYS 299 Cb 0.40 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 3g4i h LYS 299 CO 0.01 0.41 0.32 1.15 -0.57 0.00 0.00 179.45 180.78 3g4i h THR 300 N -0.16 0.97 -0.55 -0.16 2.02 -1.43 -2.87 112.91 110.72 3g4i h THR 300 Ca 0.02 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3g4i h THR 300 Cb 0.36 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3g4i h THR 300 CO 0.00 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.50 3g4i n PHE 301 N -4.83 0.92 -3.92 3.16 3.72 -0.62 -4.98 117.46 110.91 3g4i n PHE 301 Ca 0.07 -0.55 -0.25 0.00 -0.05 0.00 0.00 57.45 56.66 3g4i n PHE 301 Cb 0.15 -0.09 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 3g4i n PHE 301 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3g4i n LYS 302 N 0.98 -3.42 -3.10 -1.08 4.76 0.18 -4.55 118.16 111.92 3g4i n LYS 302 Ca 0.20 0.43 -0.41 0.00 -2.87 0.00 0.00 58.31 55.65 3g4i n LYS 302 Cb 0.64 -4.58 -0.06 0.00 -1.84 0.00 0.00 35.03 29.18 3g4i n LYS 302 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g4i s ILE 303 N -3.93 4.90 0.34 -0.18 1.01 -0.19 -4.62 121.20 118.53 3g4i s ILE 303 Ca 0.01 0.73 -0.29 0.00 0.00 0.00 0.00 60.65 61.10 3g4i s ILE 303 Cb -0.00 -4.05 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 3g4i s ILE 303 CO 0.88 -0.24 1.53 -2.65 0.00 0.00 0.00 174.94 174.45 3g4i n PRO 304 N 6.00 2.67 -0.14 2.79 -0.02 -1.26 -4.81 135.00 140.23 3g4i n PRO 304 Ca -0.01 0.94 -0.02 0.00 -2.02 0.00 0.00 63.50 62.39 3g4i n PRO 304 Cb 0.49 -2.69 0.20 0.00 -0.02 0.00 0.00 33.50 31.47 3g4i n PRO 304 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3g4i h VAL 305 N 3.10 1.22 -0.40 -1.45 3.04 -1.97 -1.45 116.25 118.34 3g4i h VAL 305 Ca -0.49 -0.75 -0.14 0.00 -1.01 0.00 0.00 66.70 64.31 3g4i h VAL 305 Cb 1.24 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 3g4i h VAL 305 CO 0.70 0.29 -0.30 -2.24 -1.01 0.00 0.00 177.57 175.01 3g4i h ASP 306 N 0.84 0.92 -0.48 3.17 -0.00 -1.97 -1.47 116.42 117.43 3g4i h ASP 306 Ca 0.19 -0.38 0.02 0.00 -0.00 0.00 0.00 57.03 56.86 3g4i h ASP 306 Cb 0.23 -0.26 -0.03 0.00 -0.00 0.00 0.00 39.33 39.28 3g4i h ASP 306 CO -0.01 1.15 0.30 0.74 -0.00 0.00 0.00 179.24 181.41 3g4i h THR 307 N 0.74 1.08 -0.17 1.15 2.02 -1.68 -0.56 112.91 115.49 3g4i h THR 307 Ca 0.08 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3g4i h THR 307 Cb 0.86 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3g4i h THR 307 CO 0.08 0.11 0.09 0.25 0.37 0.00 0.00 175.52 176.41 3g4i h LEU 308 N 0.60 0.21 -0.72 2.58 5.85 -1.00 0.11 115.31 122.94 3g4i h LEU 308 Ca 0.18 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3g4i h LEU 308 Cb -0.02 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3g4i h LEU 308 CO -0.07 0.26 0.21 0.40 -0.34 0.00 0.00 178.44 178.90 3g4i h ILE 309 N 0.15 1.26 -0.17 4.05 1.08 -1.17 0.47 117.51 123.18 3g4i h ILE 309 Ca 0.06 -0.92 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 3g4i h ILE 309 Cb 0.10 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3g4i h ILE 309 CO -0.01 0.36 0.05 0.74 -0.69 0.00 0.00 178.15 178.60 3g4i h THR 310 N 1.07 1.18 -0.34 -0.27 2.02 -0.93 -0.47 112.91 115.17 3g4i h THR 310 Ca 0.23 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3g4i h THR 310 Cb 0.33 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3g4i h THR 310 CO -0.00 0.18 0.22 0.22 0.37 0.00 0.00 175.52 176.50 3g4i h TYR 311 N 0.09 0.43 -0.50 3.16 3.20 -0.82 -1.21 116.97 121.33 3g4i h TYR 311 Ca 0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3g4i h TYR 311 Cb 0.23 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3g4i h TYR 311 CO -0.00 0.28 0.31 -0.07 -1.64 0.00 0.00 178.16 177.04 3g4i h LEU 312 N 0.45 0.59 -0.63 2.82 3.38 -0.74 0.15 115.31 121.34 3g4i h LEU 312 Ca 0.12 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3g4i h LEU 312 Cb -0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3g4i h LEU 312 CO -0.03 0.46 0.37 0.24 0.09 0.00 0.00 178.44 179.57 3g4i h MET 313 N 0.67 0.85 -0.21 1.13 2.86 -0.95 -0.96 114.93 118.32 3g4i h MET 313 Ca 0.18 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3g4i h MET 313 Cb -0.03 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 3g4i h MET 313 CO -0.04 0.61 0.05 1.15 1.06 0.00 0.00 176.91 179.75 3g4i h THR 314 N 0.85 0.93 -0.14 2.22 2.02 -0.86 -0.19 112.91 117.73 3g4i h THR 314 Ca 0.22 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.38 3g4i h THR 314 Cb -0.01 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 3g4i h THR 314 CO -0.04 0.03 -0.03 0.25 0.37 0.00 0.00 175.52 176.09 3g4i h LEU 315 N 0.14 -0.13 -1.00 2.58 5.85 -0.80 -2.76 115.31 119.20 3g4i h LEU 315 Ca 0.09 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3g4i h LEU 315 Cb 0.07 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3g4i h LEU 315 CO -0.11 -0.04 0.66 -0.08 -0.34 0.00 0.00 178.44 178.52 3g4i h GLU 316 N 0.00 1.27 0.00 1.25 4.81 -1.02 -1.66 114.58 119.23 3g4i h GLU 316 Ca 0.07 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3g4i h GLU 316 Cb 0.10 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 3g4i h GLU 316 CO -0.14 0.84 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.52 3g4i h ASP 317 N 1.31 0.00 -0.12 1.04 3.45 -0.76 -1.92 116.42 119.42 3g4i h ASP 317 Ca 0.38 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.84 3g4i h ASP 317 Cb -0.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 3g4i h ASP 317 CO -0.10 0.02 0.00 1.41 -1.57 0.00 0.00 179.24 179.00 3g4i n HIS 318 N -3.65 0.14 -3.03 4.55 8.25 -0.63 -4.78 115.22 116.08 3g4i n HIS 318 Ca -0.03 -0.07 -0.38 0.00 -0.26 0.00 0.00 57.72 56.99 3g4i n HIS 318 Cb 0.11 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 3g4i n HIS 318 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3g4i s TYR 319 N -1.86 3.76 -0.20 4.41 1.51 -0.73 -1.18 117.35 123.07 3g4i s TYR 319 Ca 0.34 1.52 -0.21 0.00 -1.01 0.00 0.00 57.07 57.71 3g4i s TYR 319 Cb 0.20 -2.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.32 3g4i s TYR 319 CO 0.30 0.40 0.65 -1.01 -1.11 0.00 0.00 175.55 174.79 3g4i s HIS 320 N -1.37 3.37 0.24 2.71 3.76 -1.26 -4.81 115.29 117.93 3g4i s HIS 320 Ca 0.40 0.95 0.25 0.00 -0.15 0.00 0.00 55.06 56.52 3g4i s HIS 320 Cb -0.19 -2.82 1.11 0.00 1.11 0.00 0.00 32.58 31.78 3g4i s HIS 320 CO 0.23 -0.19 1.91 0.00 -0.85 0.00 0.00 174.74 175.84 3g4i h ALA 321 N 7.49 1.10 0.00 -1.40 0.00 -1.94 -2.72 119.26 121.79 3g4i h ALA 321 Ca -0.31 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3g4i h ALA 321 Cb 1.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3g4i h ALA 321 CO 0.78 0.24 -0.03 -0.40 0.00 0.00 0.00 179.25 179.84 3g4i n ASP 322 N -3.47 0.06 -4.64 0.00 5.75 -1.26 -4.78 116.55 108.21 3g4i n ASP 322 Ca -0.01 0.45 -0.40 0.00 -0.01 0.00 0.00 54.79 54.83 3g4i n ASP 322 Cb 0.36 -0.46 -0.07 0.00 -1.03 0.00 0.00 41.12 39.93 3g4i n ASP 322 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3g4i s VAL 323 N -3.00 5.05 0.22 2.12 1.01 -1.03 -4.98 120.40 119.78 3g4i s VAL 323 Ca 0.14 1.02 -0.03 0.00 0.00 0.00 0.00 61.98 63.10 3g4i s VAL 323 Cb 0.19 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.71 3g4i s VAL 323 CO 0.54 0.10 1.61 0.00 0.00 0.00 0.00 175.10 177.35 3g4i h ALA 324 N 7.75 0.86 0.00 5.51 0.00 -1.86 -3.40 119.26 128.13 3g4i h ALA 324 Ca -0.30 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.13 3g4i h ALA 324 Cb 1.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3g4i h ALA 324 CO 0.75 0.63 -1.00 0.98 0.00 0.00 0.00 179.25 180.61 3g4i n TYR 325 N -4.08 0.00 -1.73 0.00 9.36 -1.26 -4.79 117.16 114.66 3g4i n TYR 325 Ca -0.01 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.79 3g4i n TYR 325 Cb 0.47 -0.41 -0.00 0.00 -0.63 0.00 0.00 39.34 38.77 3g4i n TYR 325 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3g4i n HIS 326 N -4.05 3.47 -4.10 2.98 8.25 -1.26 -4.25 115.22 116.26 3g4i n HIS 326 Ca -0.16 -2.98 -0.05 0.00 -0.26 0.00 0.00 57.72 54.27 3g4i n HIS 326 Cb 0.45 -2.54 -0.01 0.00 1.12 0.00 0.00 29.99 29.00 3g4i n HIS 326 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3g4i n ASN 327 N 5.92 1.10 0.26 0.41 0.23 -1.26 -4.54 115.26 117.38 3g4i n ASN 327 Ca 0.53 -1.43 0.11 0.00 -0.53 0.00 0.00 54.58 53.25 3g4i n ASN 327 Cb 0.38 0.19 0.69 0.00 -2.08 0.00 0.00 39.78 38.97 3g4i n ASN 327 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3g4i h ASN 328 N 0.32 0.00 -0.20 0.53 -1.07 -1.87 -2.29 115.58 111.00 3g4i h ASN 328 Ca -0.07 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.18 3g4i h ASN 328 Cb 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 3g4i h ASN 328 CO 0.10 0.12 -0.36 0.40 0.07 0.00 0.00 177.43 177.76 3g4i h ILE 329 N 0.00 1.33 -0.34 6.14 2.04 -1.96 -1.15 117.51 123.57 3g4i h ILE 329 Ca -0.00 -1.58 0.01 0.00 1.00 0.00 0.00 64.86 64.28 3g4i h ILE 329 Cb 0.28 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3g4i h ILE 329 CO 0.02 0.49 0.21 -0.74 0.00 0.00 0.00 178.15 178.12 3g4i h HIS 330 N 0.28 0.39 -0.35 1.37 2.76 -1.65 -0.89 115.15 117.06 3g4i h HIS 330 Ca 0.01 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.26 3g4i h HIS 330 Cb 0.96 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.73 3g4i h HIS 330 CO 0.09 0.24 -0.01 0.00 -1.30 0.00 0.00 177.93 176.95 3g4i h ALA 331 N 1.14 0.31 -0.98 5.26 0.00 -1.31 -0.53 119.26 123.14 3g4i h ALA 331 Ca 0.13 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3g4i h ALA 331 Cb -0.02 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3g4i h ALA 331 CO -0.05 -0.40 0.65 0.00 0.00 0.00 0.00 179.25 179.45 3g4i h ALA 332 N 1.31 1.32 -0.45 0.00 0.00 -0.91 -1.01 119.26 119.52 3g4i h ALA 332 Ca 0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3g4i h ALA 332 Cb 0.24 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3g4i h ALA 332 CO -0.29 0.62 0.07 0.22 0.00 0.00 0.00 179.25 179.86 3g4i h ASP 333 N 1.31 0.72 -0.50 0.00 3.58 -0.65 -0.91 116.42 119.96 3g4i h ASP 333 Ca 0.37 -0.26 -0.12 0.00 0.42 0.00 0.00 57.03 57.44 3g4i h ASP 333 Cb -0.11 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 3g4i h ASP 333 CO -0.09 0.80 -0.15 0.58 -2.88 0.00 0.00 179.24 177.50 3g4i h VAL 334 N 0.61 1.27 -0.11 2.25 2.07 -0.77 -0.10 116.25 121.48 3g4i h VAL 334 Ca 0.14 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 66.38 3g4i h VAL 334 Cb 0.39 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3g4i h VAL 334 CO 0.01 0.45 -0.09 0.58 0.02 0.00 0.00 177.57 178.55 3g4i h VAL 335 N 0.84 0.74 -0.39 2.57 2.07 -1.08 -0.76 116.25 120.24 3g4i h VAL 335 Ca 0.12 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.52 3g4i h VAL 335 Cb 0.72 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3g4i h VAL 335 CO 0.06 0.00 -0.25 -0.61 0.02 0.00 0.00 177.57 176.79 3g4i h GLN 336 N -0.11 0.80 -0.35 1.57 -0.00 -0.97 -0.50 115.11 115.55 3g4i h GLN 336 Ca 0.07 -0.34 -0.07 0.00 -0.00 0.00 0.00 58.65 58.31 3g4i h GLN 336 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.65 3g4i h GLN 336 CO -0.17 0.97 -0.05 0.77 0.00 0.00 0.00 178.83 180.34 3g4i h SER 337 N 0.69 0.66 -0.75 -0.69 0.02 -0.90 -1.48 113.55 111.10 3g4i h SER 337 Ca 0.09 -0.34 0.07 0.00 -0.84 0.00 0.00 61.79 60.76 3g4i h SER 337 Cb 0.78 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 3g4i h SER 337 CO 0.06 0.85 0.43 0.74 -1.14 0.00 0.00 176.83 177.77 3g4i h THR 338 N 0.45 0.96 -0.56 -2.27 2.02 -0.97 -1.22 112.91 111.32 3g4i h THR 338 Ca 0.09 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.05 3g4i h THR 338 Cb 0.54 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 3g4i h THR 338 CO 0.03 0.14 0.31 -0.74 0.37 0.00 0.00 175.52 175.63 3g4i h HIS 339 N 0.77 0.58 -0.15 3.16 -0.00 -0.63 0.02 115.15 118.90 3g4i h HIS 339 Ca 0.34 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.72 3g4i h HIS 339 Cb 0.24 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 3g4i h HIS 339 CO -0.07 0.30 0.05 0.28 -0.00 0.00 0.00 177.93 178.50 3g4i h VAL 340 N 0.61 1.18 -0.52 5.26 2.07 -1.00 -3.14 116.25 120.70 3g4i h VAL 340 Ca 0.24 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3g4i h VAL 340 Cb 0.10 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3g4i h VAL 340 CO -0.14 0.17 0.30 -0.07 0.02 0.00 0.00 177.57 177.85 3g4i h LEU 341 N 0.07 0.63 -2.05 2.57 3.38 -0.87 -1.83 115.31 117.21 3g4i h LEU 341 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3g4i h LEU 341 Cb 0.21 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3g4i h LEU 341 CO -0.00 0.50 -0.06 -0.07 0.09 0.00 0.00 178.44 178.89 3g4i h LEU 342 N 0.72 0.00 -2.30 1.67 3.38 -0.95 -2.74 115.31 115.08 3g4i h LEU 342 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3g4i h LEU 342 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3g4i h LEU 342 CO -0.03 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.36 3g4i n SER 343 N -4.13 3.40 -4.75 -0.43 7.64 -0.69 -4.79 113.62 109.87 3g4i n SER 343 Ca -0.03 -2.10 -0.41 0.00 1.01 0.00 0.00 58.87 57.34 3g4i n SER 343 Cb 0.15 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.89 3g4i n SER 343 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3g4i s THR 344 N -1.36 2.58 0.30 0.44 -1.32 -1.04 -4.92 115.64 110.32 3g4i s THR 344 Ca 0.40 0.50 0.03 0.00 -1.21 0.00 0.00 61.69 61.41 3g4i s THR 344 Cb 0.22 -3.32 0.33 0.00 -1.51 0.00 0.00 72.50 68.23 3g4i s THR 344 CO 0.25 0.08 1.63 -0.65 -2.21 0.00 0.00 174.62 173.72 3g4i h PRO 345 N 4.79 0.15 0.00 7.08 0.11 -1.93 0.16 132.00 142.37 3g4i h PRO 345 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3g4i h PRO 345 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3g4i h PRO 345 CO 0.76 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 3g4i n ALA 346 N -2.75 1.15 -0.09 -0.75 0.00 -1.26 -1.80 120.51 115.02 3g4i n ALA 346 Ca 0.23 0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.87 3g4i n ALA 346 Cb 0.74 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.96 3g4i n ALA 346 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3g4i n LEU 347 N -2.22 2.47 -4.69 0.00 4.77 0.04 -0.45 117.00 116.91 3g4i n LEU 347 Ca -0.01 -1.98 -0.44 0.00 -0.03 0.00 0.00 56.01 53.56 3g4i n LEU 347 Cb 0.07 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3g4i n LEU 347 CO 0.11 0.62 1.38 -0.62 -1.33 0.00 0.00 177.39 177.54 3g4i n GLU 348 N 0.05 2.57 -0.95 3.23 1.02 -0.74 -1.83 120.64 123.98 3g4i n GLU 348 Ca 0.06 0.93 0.00 0.00 -0.02 0.00 0.00 57.16 58.13 3g4i n GLU 348 Cb 0.34 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 28.98 3g4i n GLU 348 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g4i n ALA 349 N 4.69 0.00 -0.03 0.62 0.00 -1.26 -4.88 120.51 119.65 3g4i n ALA 349 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 3g4i n ALA 349 Cb 0.34 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 3g4i n ALA 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g4i h VAL 350 N 0.00 1.51 -2.75 0.00 2.07 -1.71 -3.46 116.25 111.90 3g4i h VAL 350 Ca 0.00 -1.69 -0.65 0.00 0.82 0.00 0.00 66.70 65.18 3g4i h VAL 350 Cb 0.51 2.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 3g4i h VAL 350 CO 0.00 0.46 -0.48 -0.36 0.02 0.00 0.00 177.57 177.21 3g4i s PHE 351 N -3.49 3.57 0.78 1.57 0.08 -1.26 -5.03 117.98 114.20 3g4i s PHE 351 Ca -0.16 0.43 -0.11 0.00 0.12 0.00 0.00 56.93 57.21 3g4i s PHE 351 Cb 0.01 -1.88 0.06 0.00 -0.57 0.00 0.00 43.02 40.64 3g4i s PHE 351 CO 0.72 0.68 1.10 0.95 -0.10 0.00 0.00 175.22 178.57 3g4i s THR 352 N -1.22 3.13 0.35 0.64 -4.23 -1.26 -4.85 115.64 108.20 3g4i s THR 352 Ca 0.23 0.37 0.02 0.00 -1.18 0.00 0.00 61.69 61.13 3g4i s THR 352 Cb -0.12 -3.15 0.27 0.00 1.34 0.00 0.00 72.50 70.83 3g4i s THR 352 CO 0.13 -0.48 2.01 0.44 -0.54 0.00 0.00 174.62 176.19 3g4i h ASP 353 N -1.02 0.72 -0.52 3.99 3.32 -1.99 -0.30 116.42 120.63 3g4i h ASP 353 Ca -0.47 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.44 3g4i h ASP 353 Cb 1.27 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3g4i h ASP 353 CO 0.60 0.52 -0.16 0.25 -1.72 0.00 0.00 179.24 178.73 3g4i h LEU 354 N 0.85 1.03 -0.59 1.55 5.85 -1.99 0.82 115.31 122.83 3g4i h LEU 354 Ca 0.23 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 3g4i h LEU 354 Cb -0.08 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 3g4i h LEU 354 CO -0.05 1.17 0.07 -0.33 -0.34 0.00 0.00 178.44 178.95 3g4i h GLU 355 N 0.89 1.00 -0.22 1.25 5.08 -1.80 -0.13 114.58 120.66 3g4i h GLU 355 Ca 0.13 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3g4i h GLU 355 Cb 0.73 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3g4i h GLU 355 CO 0.06 0.96 0.14 0.82 -1.00 0.00 0.00 179.01 179.99 3g4i h ILE 356 N 0.90 1.07 -0.50 3.13 2.04 -0.90 -1.58 117.51 121.69 3g4i h ILE 356 Ca 0.18 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.95 3g4i h ILE 356 Cb 0.46 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3g4i h ILE 356 CO 0.02 0.07 0.17 0.25 0.00 0.00 0.00 178.15 178.65 3g4i h LEU 357 N 0.29 0.16 -0.03 1.44 5.85 -0.65 -2.00 115.31 120.36 3g4i h LEU 357 Ca 0.08 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3g4i h LEU 357 Cb -0.01 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3g4i h LEU 357 CO -0.02 0.12 -0.13 0.00 -0.34 0.00 0.00 178.44 178.07 3g4i h ALA 358 N 1.34 -0.13 -0.47 1.25 0.00 -0.81 0.13 119.26 120.57 3g4i h ALA 358 Ca 0.24 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3g4i h ALA 358 Cb 0.26 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3g4i h ALA 358 CO -0.25 -0.62 0.28 0.00 0.00 0.00 0.00 179.25 178.66 3g4i h ALA 359 N 0.77 0.59 -0.17 0.00 0.00 -1.08 -0.40 119.26 118.97 3g4i h ALA 359 Ca 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3g4i h ALA 359 Cb 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3g4i h ALA 359 CO -0.15 -0.03 -0.12 0.82 0.00 0.00 0.00 179.25 179.77 3g4i h ILE 360 N 0.56 1.33 -0.39 0.00 2.04 -1.24 -1.93 117.51 117.88 3g4i h ILE 360 Ca 0.18 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 3g4i h ILE 360 Cb 0.01 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3g4i h ILE 360 CO -0.08 0.37 0.20 0.15 0.00 0.00 0.00 178.15 178.79 3g4i h PHE 361 N 0.04 0.54 -0.57 1.37 3.57 -0.90 -1.36 116.94 119.63 3g4i h PHE 361 Ca 0.03 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.59 3g4i h PHE 361 Cb 0.63 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 3g4i h PHE 361 CO 0.07 0.44 0.22 0.00 -2.23 0.00 0.00 178.31 176.81 3g4i h ALA 362 N 1.06 0.72 -0.69 2.41 0.00 -1.09 -1.80 119.26 119.87 3g4i h ALA 362 Ca 0.13 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3g4i h ALA 362 Cb 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3g4i h ALA 362 CO -0.02 -0.18 0.42 0.77 0.00 0.00 0.00 179.25 180.24 3g4i h SER 363 N 0.41 0.68 -0.71 0.00 0.02 -1.04 -1.41 113.55 111.50 3g4i h SER 363 Ca 0.28 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.17 3g4i h SER 363 Cb 0.31 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3g4i h SER 363 CO -0.27 0.46 0.18 0.00 -1.14 0.00 0.00 176.83 176.06 3g4i h ALA 364 N 1.31 0.94 -0.02 3.77 0.00 -0.50 -3.18 119.26 121.58 3g4i h ALA 364 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3g4i h ALA 364 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3g4i h ALA 364 CO -0.12 0.66 -0.18 0.44 0.00 0.00 0.00 179.25 180.05 3g4i n ILE 365 N -4.24 0.00 0.30 0.00 -5.35 -0.75 -4.70 119.36 104.63 3g4i n ILE 365 Ca 0.05 -0.27 0.18 0.00 -0.27 0.00 0.00 62.75 62.44 3g4i n ILE 365 Cb 0.26 0.85 0.82 0.00 -1.74 0.00 0.00 39.64 39.83 3g4i n ILE 365 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3g4i h HIS 366 N 2.54 0.00 0.00 4.28 2.07 -1.24 -2.49 115.15 120.31 3g4i h HIS 366 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3g4i h HIS 366 Cb 0.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 3g4i h HIS 366 CO 0.00 0.00 -0.14 -0.25 -3.07 0.00 0.00 177.93 174.47 3g4i n ASP 367 N -2.93 1.32 -4.76 3.10 8.00 -1.26 -4.85 116.55 115.17 3g4i n ASP 367 Ca -0.00 -2.32 -0.41 0.00 0.71 0.00 0.00 54.79 52.76 3g4i n ASP 367 Cb 0.21 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 3g4i n ASP 367 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g4i s VAL 368 N -1.36 2.18 -1.34 2.53 0.11 -0.94 -2.05 120.40 119.54 3g4i s VAL 368 Ca 0.13 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 3g4i s VAL 368 Cb 0.11 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 3g4i s VAL 368 CO 0.01 0.03 0.00 -0.67 -3.33 0.00 0.00 175.10 171.14 3g4i n ASP 369 N 1.53 -4.49 -4.70 3.54 2.03 -0.32 -4.30 116.55 109.83 3g4i n ASP 369 Ca 0.05 0.16 -0.42 0.00 0.52 0.00 0.00 54.79 55.10 3g4i n ASP 369 Cb 0.39 -3.45 -0.03 0.00 -0.72 0.00 0.00 41.12 37.30 3g4i n ASP 369 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3g4i s HIS 370 N -2.62 2.65 -1.68 -0.67 2.46 -0.87 -4.91 115.29 109.66 3g4i s HIS 370 Ca 0.00 0.44 0.31 0.00 0.47 0.00 0.00 55.06 56.28 3g4i s HIS 370 Cb 0.00 -3.94 1.69 0.00 -0.13 0.00 0.00 32.58 30.20 3g4i s HIS 370 CO 0.00 -3.66 2.13 -0.35 -2.47 0.00 0.00 174.74 170.39 3g4i n PRO 371 N 5.06 0.68 -0.93 2.88 -0.04 -1.26 -4.59 135.00 136.78 3g4i n PRO 371 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3g4i n PRO 371 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 3g4i n PRO 371 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g4i n GLY 372 N 1.15 0.49 3.30 0.55 0.00 -1.26 -4.99 105.19 104.44 3g4i n GLY 372 Ca 0.18 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 3g4i n GLY 372 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g4i s VAL 373 N -2.00 1.46 0.75 1.61 -7.23 -1.26 -4.71 120.40 109.01 3g4i s VAL 373 Ca 0.00 -2.14 -0.12 0.00 -1.81 0.00 0.00 61.98 57.92 3g4i s VAL 373 Cb 0.00 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 35.02 3g4i s VAL 373 CO 0.00 -0.66 1.11 -0.94 -0.31 0.00 0.00 175.10 174.30 3g4i s SER 374 N -3.25 5.02 0.25 4.85 1.04 -1.26 -4.92 113.70 115.43 3g4i s SER 374 Ca 0.20 1.12 -0.03 0.00 0.48 0.00 0.00 55.95 57.72 3g4i s SER 374 Cb 0.01 -1.85 0.45 0.00 0.10 0.00 0.00 66.02 64.73 3g4i s SER 374 CO 0.04 -1.61 1.80 0.78 0.98 0.00 0.00 173.24 175.23 3g4i h ASN 375 N -0.84 0.64 -0.46 7.02 2.35 -2.01 -2.46 115.58 119.82 3g4i h ASN 375 Ca -0.46 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.27 3g4i h ASN 375 Cb 1.27 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 3g4i h ASN 375 CO 0.63 0.34 -0.03 -0.61 -1.65 0.00 0.00 177.43 176.11 3g4i h GLN 376 N 0.75 0.90 -0.54 0.81 5.75 -1.97 -0.45 115.11 120.36 3g4i h GLN 376 Ca 0.42 -0.27 0.03 0.00 -0.15 0.00 0.00 58.65 58.68 3g4i h GLN 376 Cb 0.46 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 3g4i h GLN 376 CO -0.28 0.91 0.32 0.35 -2.65 0.00 0.00 178.83 177.48 3g4i h PHE 377 N 0.82 0.60 -0.42 3.99 3.04 -1.83 0.48 116.94 123.63 3g4i h PHE 377 Ca 0.15 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 62.04 3g4i h PHE 377 Cb 0.53 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 3g4i h PHE 377 CO 0.03 0.34 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.52 3g4i h LEU 378 N 0.64 0.70 -0.03 0.59 3.38 -1.04 -2.67 115.31 116.88 3g4i h LEU 378 Ca 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3g4i h LEU 378 Cb 0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3g4i h LEU 378 CO -0.10 0.81 -0.01 0.40 0.09 0.00 0.00 178.44 179.64 3g4i h ILE 379 N 0.66 1.29 0.00 1.22 2.04 -0.80 -1.93 117.51 119.98 3g4i h ILE 379 Ca 0.12 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 3g4i h ILE 379 Cb 0.52 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3g4i h ILE 379 CO 0.03 0.23 -0.14 0.78 0.00 0.00 0.00 178.15 179.05 3g4i h ASN 380 N -0.30 0.00 -0.11 1.72 2.35 -0.84 -1.92 115.58 116.49 3g4i h ASN 380 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3g4i h ASN 380 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3g4i h ASN 380 CO 0.00 0.14 0.00 0.35 -1.65 0.00 0.00 177.43 176.27 3g4i n THR 381 N -3.69 0.12 -3.71 2.81 -2.24 -1.01 -4.95 114.28 101.61 3g4i n THR 381 Ca -0.02 -0.37 -0.25 0.00 -2.27 0.00 0.00 64.05 61.14 3g4i n THR 381 Cb 0.26 0.66 0.05 0.00 -2.10 0.00 0.00 70.33 69.20 3g4i n THR 381 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g4i n ASN 382 N 0.54 -4.52 -4.74 3.42 3.02 -0.72 -4.95 115.26 107.32 3g4i n ASN 382 Ca 0.17 -0.68 -0.36 0.00 -0.03 0.00 0.00 54.58 53.68 3g4i n ASN 382 Cb 0.41 -4.47 0.06 0.00 -0.61 0.00 0.00 39.78 35.17 3g4i n ASN 382 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3g4i s SER 383 N -3.59 4.70 0.27 6.41 1.04 -0.73 -4.83 113.70 116.97 3g4i s SER 383 Ca 0.46 2.54 -0.02 0.00 0.48 0.00 0.00 55.95 59.41 3g4i s SER 383 Cb -0.22 -2.61 0.42 0.00 0.10 0.00 0.00 66.02 63.71 3g4i s SER 383 CO 0.78 -1.93 1.88 -0.08 0.98 0.00 0.00 173.24 174.87 3g4i h GLU 384 N 0.54 1.14 -0.43 4.02 4.81 -1.92 -1.57 114.58 121.17 3g4i h GLU 384 Ca -0.50 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 58.69 3g4i h GLU 384 Cb 1.32 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3g4i h GLU 384 CO 0.53 0.75 0.22 -0.07 -0.73 0.00 0.00 179.01 179.71 3g4i h LEU 385 N 1.17 0.32 -0.98 1.64 3.38 -1.93 -0.36 115.31 118.55 3g4i h LEU 385 Ca 0.44 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.39 3g4i h LEU 385 Cb 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3g4i h LEU 385 CO -0.18 0.23 0.22 0.00 0.09 0.00 0.00 178.44 178.80 3g4i h ALA 386 N 1.22 1.19 -0.38 1.53 0.00 -1.72 -2.15 119.26 118.96 3g4i h ALA 386 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3g4i h ALA 386 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3g4i h ALA 386 CO -0.12 0.58 0.15 1.25 0.00 0.00 0.00 179.25 181.10 3g4i h LEU 387 N 0.93 0.52 -0.64 0.00 5.85 -0.75 -1.05 115.31 120.17 3g4i h LEU 387 Ca 0.21 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3g4i h LEU 387 Cb 0.23 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3g4i h LEU 387 CO -0.01 0.55 0.43 -0.03 -0.34 0.00 0.00 178.44 179.03 3g4i h MET 388 N 0.46 0.84 -0.68 1.25 4.05 -0.88 -3.16 114.93 116.81 3g4i h MET 388 Ca 0.12 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3g4i h MET 388 Cb 0.19 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 3g4i h MET 388 CO -0.01 0.56 0.00 0.66 0.23 0.00 0.00 176.91 178.35 3g4i n TYR 389 N -4.64 1.29 -3.95 1.39 4.02 -0.83 -4.96 117.16 109.48 3g4i n TYR 389 Ca 0.05 -0.57 -0.30 0.00 -0.01 0.00 0.00 57.90 57.07 3g4i n TYR 389 Cb 0.02 -0.15 0.01 0.00 -0.02 0.00 0.00 39.34 39.20 3g4i n TYR 389 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3g4i n ASN 390 N 1.33 -3.70 -0.62 7.72 3.02 -0.47 -1.84 115.26 120.69 3g4i n ASN 390 Ca 0.25 -0.85 -0.08 0.00 -0.03 0.00 0.00 54.58 53.88 3g4i n ASN 390 Cb 0.79 -3.63 -0.03 0.00 -0.61 0.00 0.00 39.78 36.29 3g4i n ASN 390 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3g4i n ASP 391 N -2.84 -5.79 -4.21 6.41 8.00 -0.76 -4.92 116.55 112.44 3g4i n ASP 391 Ca -0.02 0.20 -0.34 0.00 0.71 0.00 0.00 54.79 55.33 3g4i n ASP 391 Cb 0.55 -4.02 -0.15 0.00 -0.02 0.00 0.00 41.12 37.49 3g4i n ASP 391 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3g4i s SER 392 N -2.29 4.09 -1.44 -2.24 0.01 -0.77 -4.62 113.70 106.44 3g4i s SER 392 Ca 0.00 -0.72 -0.05 0.00 1.31 0.00 0.00 55.95 56.49 3g4i s SER 392 Cb 0.00 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.59 3g4i s SER 392 CO 0.00 -0.08 0.10 -1.20 0.41 0.00 0.00 173.24 172.47 3g4i n SER 393 N 4.69 0.19 0.20 2.44 7.64 -1.26 -4.82 113.62 122.70 3g4i n SER 393 Ca -0.18 -1.23 -0.16 0.00 1.01 0.00 0.00 58.87 58.32 3g4i n SER 393 Cb 0.48 -1.52 -0.08 0.00 -1.01 0.00 0.00 64.21 62.09 3g4i n SER 393 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g4i h VAL 394 N -1.79 0.19 -0.30 0.44 2.07 -1.86 -0.02 116.25 114.98 3g4i h VAL 394 Ca -0.64 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3g4i h VAL 394 Cb 1.34 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3g4i h VAL 394 CO 0.65 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 178.31 3g4i h LEU 395 N -0.75 0.40 -0.59 2.57 3.38 -1.95 -1.94 115.31 116.43 3g4i h LEU 395 Ca -0.01 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3g4i h LEU 395 Cb 0.70 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3g4i h LEU 395 CO -0.12 0.42 0.18 -0.33 0.09 0.00 0.00 178.44 178.68 3g4i h GLU 396 N 0.35 0.93 -0.85 1.13 3.07 -1.85 0.20 114.58 117.55 3g4i h GLU 396 Ca 0.10 -0.21 0.02 0.00 -0.50 0.00 0.00 59.36 58.78 3g4i h GLU 396 Cb 0.13 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 3g4i h GLU 396 CO -0.01 0.84 0.55 -0.91 -1.40 0.00 0.00 179.01 178.08 3g4i h ASN 397 N 0.85 0.93 -0.36 1.42 2.35 -0.95 -2.70 115.58 117.12 3g4i h ASN 397 Ca 0.19 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3g4i h ASN 397 Cb 0.30 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3g4i h ASN 397 CO -0.00 0.66 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.68 3g4i h HIS 398 N 1.10 0.71 -0.46 1.19 2.76 -0.42 -1.84 115.15 118.19 3g4i h HIS 398 Ca 0.33 -0.13 0.05 0.00 -2.20 0.00 0.00 60.37 58.42 3g4i h HIS 398 Cb -0.05 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.68 3g4i h HIS 398 CO -0.02 0.75 0.18 0.45 -1.30 0.00 0.00 177.93 178.00 3g4i h HIS 399 N 0.45 0.32 0.19 5.26 3.86 -0.60 -0.72 115.15 123.92 3g4i h HIS 399 Ca 0.10 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3g4i h HIS 399 Cb 0.48 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3g4i h HIS 399 CO 0.04 0.13 -0.17 -0.07 0.86 0.00 0.00 177.93 178.72 3g4i h LEU 400 N 0.37 -0.44 -0.67 2.43 3.38 -1.41 -0.84 115.31 118.12 3g4i h LEU 400 Ca 0.21 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.28 3g4i h LEU 400 Cb 0.19 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3g4i h LEU 400 CO -0.20 -0.26 0.38 0.00 0.09 0.00 0.00 178.44 178.46 3g4i h ALA 401 N 0.39 0.90 -0.14 1.53 0.00 -0.90 -1.17 119.26 119.86 3g4i h ALA 401 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3g4i h ALA 401 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3g4i h ALA 401 CO -0.03 0.08 0.01 0.28 0.00 0.00 0.00 179.25 179.59 3g4i h VAL 402 N 0.72 1.24 -0.81 0.00 2.07 -1.15 0.50 116.25 118.81 3g4i h VAL 402 Ca 0.30 -0.78 0.08 0.00 0.82 0.00 0.00 66.70 67.12 3g4i h VAL 402 Cb 0.16 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 3g4i h VAL 402 CO -0.17 0.23 0.47 1.23 0.02 0.00 0.00 177.57 179.35 3g4i h GLY 403 N -0.00 1.25 0.94 2.17 0.00 -0.71 -1.83 103.07 104.89 3g4i h GLY 403 Ca 0.04 -0.32 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 3g4i h GLY 403 CO 0.01 0.16 -0.70 0.74 0.00 0.00 0.00 176.54 176.74 3g4i h PHE 404 N 0.81 0.77 -0.88 5.60 0.04 -1.24 -3.32 116.94 118.73 3g4i h PHE 404 Ca 0.38 -0.40 0.10 0.00 2.80 0.00 0.00 57.97 60.85 3g4i h PHE 404 Cb 0.31 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.30 3g4i h PHE 404 CO -0.06 1.21 0.57 -0.22 -0.60 0.00 0.00 178.31 179.21 3g4i h LYS 405 N 0.11 0.85 0.00 1.51 1.63 -0.56 -2.38 116.57 117.73 3g4i h LYS 405 Ca -0.08 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 3g4i h LYS 405 Cb 1.38 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.82 3g4i h LYS 405 CO 0.14 0.56 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.60 3g4i h LEU 406 N 0.87 0.00 -2.27 5.20 3.38 -1.43 -1.51 115.31 119.54 3g4i h LEU 406 Ca 0.41 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.41 3g4i h LEU 406 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3g4i h LEU 406 CO -0.17 0.03 0.23 -0.07 0.09 0.00 0.00 178.44 178.55 3g4i h LEU 407 N 0.00 0.00 -0.36 1.67 3.38 -1.57 -2.35 115.31 116.07 3g4i h LEU 407 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g4i h LEU 407 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3g4i h LEU 407 CO 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 178.30 3g4i n GLN 408 N -3.38 0.69 -1.40 1.13 6.02 -0.57 -2.18 117.38 117.69 3g4i n GLN 408 Ca 0.00 -0.36 -0.29 0.00 -0.01 0.00 0.00 57.00 56.34 3g4i n GLN 408 Cb 0.33 -1.49 0.14 0.00 1.02 0.00 0.00 30.24 30.23 3g4i n GLN 408 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3g4i s GLU 409 N -2.56 1.09 0.09 -1.09 2.02 -0.89 -4.91 118.70 112.45 3g4i s GLU 409 Ca 0.24 0.46 -0.31 0.00 0.02 0.00 0.00 54.97 55.37 3g4i s GLU 409 Cb 0.19 -1.82 -0.10 0.00 0.10 0.00 0.00 34.13 32.50 3g4i s GLU 409 CO 0.53 -2.27 1.87 -1.91 0.02 0.00 0.00 175.26 173.50 3g4i n GLU 410 N -3.84 2.75 -3.94 1.61 4.07 -1.26 -2.15 120.64 117.87 3g4i n GLU 410 Ca 0.06 1.00 -0.30 0.00 -0.06 0.00 0.00 57.16 57.86 3g4i n GLU 410 Cb 0.58 -2.91 0.02 0.00 -0.06 0.00 0.00 31.44 29.07 3g4i n GLU 410 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3g4i n ASN 411 N 6.14 -4.09 -0.22 4.31 5.15 -1.26 -4.91 115.26 120.38 3g4i n ASN 411 Ca 0.19 -0.83 0.04 0.00 -0.60 0.00 0.00 54.58 53.38 3g4i n ASN 411 Cb 0.37 -3.70 0.01 0.00 -0.53 0.00 0.00 39.78 35.93 3g4i n ASN 411 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g4i s ASP 413 N -1.05 6.67 0.18 0.00 2.15 -0.93 -4.55 116.67 119.13 3g4i s ASP 413 Ca 0.07 -1.96 0.19 0.00 0.43 0.00 0.00 52.55 51.28 3g4i s ASP 413 Cb 0.06 -2.52 0.84 0.00 -0.30 0.00 0.00 42.92 41.00 3g4i s ASP 413 CO 0.17 -1.26 1.60 2.30 -0.17 0.00 0.00 175.17 177.81 3g4i n ILE 414 N 6.27 0.96 -0.80 4.11 -5.35 -1.26 -2.03 119.36 121.27 3g4i n ILE 414 Ca 0.36 0.30 0.08 0.00 -0.27 0.00 0.00 62.75 63.22 3g4i n ILE 414 Cb 0.49 -1.19 0.36 0.00 -1.74 0.00 0.00 39.64 37.56 3g4i n ILE 414 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3g4i n PHE 415 N -1.99 1.65 0.27 4.28 3.72 -1.26 -4.66 117.46 119.47 3g4i n PHE 415 Ca 0.02 -0.70 0.10 0.00 -0.05 0.00 0.00 57.45 56.81 3g4i n PHE 415 Cb 0.18 -0.37 0.70 0.00 -0.94 0.00 0.00 39.48 39.05 3g4i n PHE 415 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3g4i h GLN 416 N 3.63 0.00 -0.17 -1.08 3.07 -1.77 -2.11 115.11 116.69 3g4i h GLN 416 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3g4i h GLN 416 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.24 3g4i h GLN 416 CO 0.35 0.01 0.00 0.09 0.09 0.00 0.00 178.83 179.36 3g4i n ASN 417 N -4.37 3.01 -4.79 0.06 3.02 -1.26 -4.95 115.26 105.98 3g4i n ASN 417 Ca -0.03 -1.95 -0.36 0.00 -0.03 0.00 0.00 54.58 52.21 3g4i n ASN 417 Cb 0.09 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 3g4i n ASN 417 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g4i s LEU 418 N -1.79 4.13 0.86 3.41 1.02 -0.80 -4.96 118.68 120.54 3g4i s LEU 418 Ca 0.33 1.93 -0.11 0.00 0.02 0.00 0.00 54.13 56.30 3g4i s LEU 418 Cb 0.21 -4.24 0.11 0.00 0.02 0.00 0.00 46.19 42.29 3g4i s LEU 418 CO 0.31 -0.41 1.09 0.42 0.02 0.00 0.00 176.35 177.78 3g4i s THR 419 N -1.76 2.85 0.22 5.49 -4.23 -1.26 -4.79 115.64 112.16 3g4i s THR 419 Ca 0.58 0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 61.28 3g4i s THR 419 Cb -0.19 -2.75 0.16 0.00 1.34 0.00 0.00 72.50 71.06 3g4i s THR 419 CO 0.24 -0.36 1.82 0.50 -0.54 0.00 0.00 174.62 176.28 3g4i h LYS 420 N -1.43 0.74 -0.34 3.99 1.63 -1.98 0.60 116.57 119.78 3g4i h LYS 420 Ca -0.48 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.34 3g4i h LYS 420 Cb 1.27 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 32.68 3g4i h LYS 420 CO 0.53 0.49 0.03 0.87 -3.45 0.00 0.00 179.45 177.92 3g4i h LYS 421 N 0.76 0.13 -0.54 1.90 1.57 -1.99 0.12 116.57 118.52 3g4i h LYS 421 Ca 0.32 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 3g4i h LYS 421 Cb 0.18 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3g4i h LYS 421 CO -0.18 0.08 0.27 1.96 -0.57 0.00 0.00 179.45 181.01 3g4i h GLN 422 N 0.13 0.77 -0.57 3.15 4.20 -1.74 -2.06 115.11 118.99 3g4i h GLN 422 Ca 0.17 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3g4i h GLN 422 Cb 0.21 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3g4i h GLN 422 CO -0.25 0.62 0.12 0.00 -0.67 0.00 0.00 178.83 178.65 3g4i h ARG 423 N 0.72 0.93 -0.56 1.46 3.08 -0.51 -0.02 114.38 119.48 3g4i h ARG 423 Ca 0.19 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 3g4i h ARG 423 Cb 0.10 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3g4i h ARG 423 CO -0.03 0.88 0.20 1.96 -1.07 0.00 0.00 179.97 181.91 3g4i h GLN 424 N 0.83 0.85 -0.07 0.04 4.20 -0.69 -0.42 115.11 119.84 3g4i h GLN 424 Ca 0.18 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3g4i h GLN 424 Cb 0.38 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3g4i h GLN 424 CO 0.01 0.75 0.01 1.03 -0.67 0.00 0.00 178.83 179.96 3g4i h SER 425 N 0.77 0.12 -0.33 1.46 0.87 -1.21 -2.13 113.55 113.10 3g4i h SER 425 Ca 0.18 -0.28 0.05 0.00 -1.23 0.00 0.00 61.79 60.52 3g4i h SER 425 Cb 0.24 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.12 3g4i h SER 425 CO -0.01 0.37 0.04 0.25 -0.53 0.00 0.00 176.83 176.94 3g4i h LEU 426 N -0.13 -0.05 -0.36 2.23 5.85 -0.95 -2.10 115.31 119.80 3g4i h LEU 426 Ca 0.02 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3g4i h LEU 426 Cb 0.30 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3g4i h LEU 426 CO 0.00 0.01 0.22 -0.09 -0.34 0.00 0.00 178.44 178.24 3g4i h ARG 427 N 0.14 0.44 -0.37 1.25 2.43 -1.04 -0.52 114.38 116.70 3g4i h ARG 427 Ca 0.16 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3g4i h ARG 427 Cb 0.19 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3g4i h ARG 427 CO -0.23 0.29 0.24 -0.22 -1.51 0.00 0.00 179.97 178.53 3g4i h LYS 428 N 0.45 0.50 -0.52 0.20 3.64 -1.18 -0.97 116.57 118.69 3g4i h LYS 428 Ca 0.14 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3g4i h LYS 428 Cb -0.02 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3g4i h LYS 428 CO -0.05 0.35 0.31 0.52 -2.27 0.00 0.00 179.45 178.31 3g4i h MET 429 N 0.50 0.70 -0.41 1.90 2.86 -1.13 -1.05 114.93 118.31 3g4i h MET 429 Ca 0.14 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3g4i h MET 429 Cb -0.03 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 3g4i h MET 429 CO -0.03 0.52 0.12 0.28 1.06 0.00 0.00 176.91 178.86 3g4i h VAL 430 N 0.69 1.22 -0.20 -2.22 2.07 -0.85 -1.16 116.25 115.80 3g4i h VAL 430 Ca 0.18 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3g4i h VAL 430 Cb -0.00 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3g4i h VAL 430 CO -0.03 0.25 0.12 0.40 0.02 0.00 0.00 177.57 178.33 3g4i h ILE 431 N 0.52 1.08 -0.90 4.57 2.04 -1.08 -1.14 117.51 122.60 3g4i h ILE 431 Ca 0.13 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3g4i h ILE 431 Cb 0.26 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3g4i h ILE 431 CO -0.00 0.08 0.59 0.44 0.00 0.00 0.00 178.15 179.26 3g4i h ASP 432 N 0.23 0.98 0.10 1.72 3.45 -0.93 -1.10 116.42 120.87 3g4i h ASP 432 Ca 0.07 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.51 3g4i h ASP 432 Cb 0.03 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.57 3g4i h ASP 432 CO -0.01 0.68 -0.05 0.40 -1.57 0.00 0.00 179.24 178.69 3g4i h ILE 433 N 1.14 1.13 -0.55 0.35 2.04 -0.99 -3.07 117.51 117.57 3g4i h ILE 433 Ca 0.36 -1.17 -0.09 0.00 1.00 0.00 0.00 64.86 64.96 3g4i h ILE 433 Cb 0.00 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3g4i h ILE 433 CO -0.10 0.27 -0.02 0.58 0.00 0.00 0.00 178.15 178.88 3g4i h VAL 434 N -0.70 1.27 0.00 1.67 2.07 -1.04 -2.39 116.25 117.12 3g4i h VAL 434 Ca -0.01 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3g4i h VAL 434 Cb 0.54 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3g4i h VAL 434 CO 0.02 0.41 -0.08 -0.07 0.02 0.00 0.00 177.57 177.87 3g4i h LEU 435 N 0.86 0.00 -0.09 2.57 3.38 -1.33 -1.34 115.31 119.36 3g4i h LEU 435 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3g4i h LEU 435 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3g4i h LEU 435 CO 0.03 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.64 3g4i n ALA 436 N -2.35 2.04 1.12 1.53 0.00 -0.91 -3.11 120.51 118.83 3g4i n ALA 436 Ca -0.02 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.50 3g4i n ALA 436 Cb 0.17 -1.39 0.64 0.00 0.00 0.00 0.00 19.45 18.87 3g4i n ALA 436 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g4i n THR 437 N -1.73 0.11 -1.89 0.00 -2.24 -0.50 -4.78 114.28 103.25 3g4i n THR 437 Ca 0.05 0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3g4i n THR 437 Cb 0.29 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 3g4i n THR 437 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g4i s ASP 438 N -2.80 6.58 0.51 3.42 -1.08 -1.18 -4.87 116.67 117.26 3g4i s ASP 438 Ca 0.19 2.49 0.34 0.00 -0.52 0.00 0.00 52.55 55.06 3g4i s ASP 438 Cb 0.18 -2.55 1.61 0.00 -1.46 0.00 0.00 42.92 40.70 3g4i s ASP 438 CO 0.46 -0.93 2.02 0.24 0.52 0.00 0.00 175.17 177.49 3g4i h MET 439 N 8.85 0.00 0.00 4.34 2.86 -1.93 -0.27 114.93 128.78 3g4i h MET 439 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 3g4i h MET 439 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 3g4i h MET 439 CO 0.94 0.00 0.00 0.66 1.06 0.00 0.00 176.91 179.57 3g4i h SER 440 N 0.00 0.00 -0.02 1.22 4.64 -1.95 -2.51 113.55 114.94 3g4i h SER 440 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g4i h SER 440 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3g4i h SER 440 CO 0.00 0.00 -0.04 0.29 -0.87 0.00 0.00 176.83 176.21 3g4i n LYS 441 N -2.30 2.01 0.02 4.77 4.76 -0.11 -4.66 118.16 122.65 3g4i n LYS 441 Ca 0.00 -1.54 -0.11 0.00 -2.87 0.00 0.00 58.31 53.79 3g4i n LYS 441 Cb 0.14 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.80 3g4i n LYS 441 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3g4i h HIS 442 N 3.76 -0.01 -0.31 2.13 -0.00 -1.57 -1.66 115.15 117.48 3g4i h HIS 442 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 3g4i h HIS 442 Cb 0.82 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.23 3g4i h HIS 442 CO 0.00 -0.01 0.06 0.52 -0.00 0.00 0.00 177.93 178.50 3g4i h MET 443 N 0.01 0.51 -0.53 5.26 2.86 -1.83 0.14 114.93 121.36 3g4i h MET 443 Ca 0.02 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3g4i h MET 443 Cb 0.03 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3g4i h MET 443 CO -0.04 0.60 0.33 -0.91 1.06 0.00 0.00 176.91 177.95 3g4i h ASN 444 N 0.35 0.56 -0.47 1.22 2.35 -1.88 0.92 115.58 118.64 3g4i h ASN 444 Ca 0.10 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3g4i h ASN 444 Cb 0.33 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3g4i h ASN 444 CO 0.00 0.40 0.27 0.25 -1.65 0.00 0.00 177.43 176.71 3g4i h LEU 445 N 0.68 0.43 -0.49 1.61 5.85 -0.94 -1.88 115.31 120.56 3g4i h LEU 445 Ca 0.20 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3g4i h LEU 445 Cb -0.04 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3g4i h LEU 445 CO -0.06 0.30 0.06 0.25 -0.34 0.00 0.00 178.44 178.65 3g4i h LEU 446 N 0.54 0.80 -0.38 2.25 5.85 -0.46 -2.00 115.31 121.90 3g4i h LEU 446 Ca 0.19 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.72 3g4i h LEU 446 Cb 0.04 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 3g4i h LEU 446 CO -0.10 0.87 -0.20 0.00 -0.34 0.00 0.00 178.44 178.67 3g4i h ALA 447 N 0.96 0.07 -0.14 1.25 0.00 -0.45 -0.91 119.26 120.03 3g4i h ALA 447 Ca 0.15 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 3g4i h ALA 447 Cb 0.42 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3g4i h ALA 447 CO 0.01 -0.58 -0.39 -0.44 0.00 0.00 0.00 179.25 177.86 3g4i h ASP 448 N -0.14 0.33 -0.71 0.00 3.32 -1.24 -2.35 116.42 115.63 3g4i h ASP 448 Ca 0.19 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3g4i h ASP 448 Cb 0.43 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3g4i h ASP 448 CO -0.47 0.69 0.33 0.25 -1.72 0.00 0.00 179.24 178.33 3g4i h LEU 449 N 0.27 0.93 -0.12 1.55 5.85 -0.79 -1.50 115.31 121.50 3g4i h LEU 449 Ca 0.03 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3g4i h LEU 449 Cb 0.81 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3g4i h LEU 449 CO 0.06 0.81 0.06 0.11 -0.34 0.00 0.00 178.44 179.14 3g4i h LYS 450 N 0.99 0.13 -1.00 1.25 1.57 -0.91 -0.68 116.57 117.91 3g4i h LYS 450 Ca 0.24 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 3g4i h LYS 450 Cb 0.13 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 3g4i h LYS 450 CO -0.03 0.08 0.64 1.15 -0.57 0.00 0.00 179.45 180.73 3g4i h THR 451 N 0.13 1.05 -0.36 -0.16 2.02 -1.28 0.72 112.91 115.02 3g4i h THR 451 Ca 0.05 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 3g4i h THR 451 Cb 0.00 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.22 3g4i h THR 451 CO -0.03 0.21 0.13 -0.03 0.37 0.00 0.00 175.52 176.16 3g4i h MET 452 N 1.13 0.55 -0.91 6.66 1.85 -0.95 -2.20 114.93 121.05 3g4i h MET 452 Ca 0.45 -0.11 -0.00 0.00 -0.61 0.00 0.00 59.70 59.43 3g4i h MET 452 Cb 0.25 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.15 3g4i h MET 452 CO -0.19 0.55 0.56 0.28 -0.40 0.00 0.00 176.91 177.71 3g4i h VAL 453 N 0.43 1.25 -0.99 -5.77 2.07 -0.33 0.16 116.25 113.06 3g4i h VAL 453 Ca 0.12 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.20 3g4i h VAL 453 Cb 0.22 -0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 29.87 3g4i h VAL 453 CO -0.01 0.26 0.63 -0.33 0.02 0.00 0.00 177.57 178.14 3g4i h GLU 454 N 1.25 1.07 -0.62 1.57 5.08 -0.62 -1.92 114.58 120.39 3g4i h GLU 454 Ca 0.33 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3g4i h GLU 454 Cb -0.07 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.94 3g4i h GLU 454 CO -0.06 0.71 0.00 0.25 -1.00 0.00 0.00 179.01 178.90 3g4i n THR 455 N -4.55 0.82 -1.58 1.13 -2.24 -0.85 -5.02 114.28 101.99 3g4i n THR 455 Ca 0.16 -0.88 -0.61 0.00 -2.27 0.00 0.00 64.05 60.45 3g4i n THR 455 Cb 0.24 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 68.96 3g4i n THR 455 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3g4i n LYS 456 N 1.51 0.15 -4.63 -0.78 4.81 0.51 -4.98 118.16 114.75 3g4i n LYS 456 Ca 0.22 0.05 -0.26 0.00 -0.87 0.00 0.00 58.31 57.45 3g4i n LYS 456 Cb 0.59 -1.57 -0.14 0.00 0.02 0.00 0.00 35.03 33.93 3g4i n LYS 456 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3g4i s LYS 457 N 0.98 1.42 0.01 1.64 2.20 -1.26 -5.07 119.74 119.66 3g4i s LYS 457 Ca 0.94 -1.01 -0.04 0.00 -0.36 0.00 0.00 55.97 55.51 3g4i s LYS 457 Cb -1.30 -1.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.44 3g4i s LYS 457 CO 0.63 0.40 0.06 0.14 -0.36 0.00 0.00 175.35 176.22 3g4i s VAL 458 N -0.85 0.08 -0.24 4.02 -7.23 -1.26 -1.55 120.40 113.37 3g4i s VAL 458 Ca 0.08 -0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 59.36 3g4i s VAL 458 Cb -0.09 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.50 3g4i s VAL 458 CO 0.02 -0.38 0.60 0.42 -0.31 0.00 0.00 175.10 175.45 3g4i s THR 459 N -1.24 5.02 -0.12 5.32 -4.23 -0.69 -4.93 115.64 114.77 3g4i s THR 459 Ca -0.13 1.08 -0.22 0.00 -1.18 0.00 0.00 61.69 61.24 3g4i s THR 459 Cb -0.08 -3.91 -0.10 0.00 1.34 0.00 0.00 72.50 69.75 3g4i s THR 459 CO 0.00 0.07 0.67 -0.24 -0.54 0.00 0.00 174.62 174.58 3g4i n SER 460 N 5.45 0.28 -1.98 3.99 2.88 -1.26 -2.39 113.62 120.59 3g4i n SER 460 Ca -0.02 0.60 -0.01 0.00 -1.33 0.00 0.00 58.87 58.11 3g4i n SER 460 Cb 0.49 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 3g4i n SER 460 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3g4i n SER 461 N 1.35 -3.88 -4.23 -3.46 7.64 -1.26 -4.87 113.62 104.90 3g4i n SER 461 Ca 0.13 0.03 -0.39 0.00 1.01 0.00 0.00 58.87 59.65 3g4i n SER 461 Cb 0.01 -2.40 -0.03 0.00 -1.01 0.00 0.00 64.21 60.78 3g4i n SER 461 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g4i n GLY 462 N -1.04 2.54 3.83 0.23 0.00 -1.01 -4.98 105.19 104.77 3g4i n GLY 462 Ca 0.01 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 3g4i n GLY 462 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4i s VAL 463 N 5.97 4.49 0.57 1.61 1.01 -1.22 -4.78 120.40 128.05 3g4i s VAL 463 Ca 0.57 1.30 -0.21 0.00 0.00 0.00 0.00 61.98 63.64 3g4i s VAL 463 Cb 0.07 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3g4i s VAL 463 CO 0.07 -0.54 1.34 -0.22 0.00 0.00 0.00 175.10 175.74 3g4i s LEU 464 N -3.72 3.78 -0.22 3.92 2.96 0.40 -1.70 118.68 124.10 3g4i s LEU 464 Ca 0.60 2.71 -0.04 0.00 -0.22 0.00 0.00 54.13 57.18 3g4i s LEU 464 Cb -0.10 -4.36 -0.01 0.00 0.50 0.00 0.00 46.19 42.22 3g4i s LEU 464 CO 0.24 -1.66 -0.02 -0.22 -1.32 0.00 0.00 176.35 173.37 3g4i s LEU 465 N -3.73 3.00 -0.18 -0.68 2.96 -0.59 -4.77 118.68 114.69 3g4i s LEU 465 Ca 0.74 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 54.29 3g4i s LEU 465 Cb -0.39 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 44.57 3g4i s LEU 465 CO 0.45 -0.02 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.68 3g4i s LEU 466 N 1.47 1.58 -0.02 -0.68 1.43 -1.26 -4.67 118.68 116.53 3g4i s LEU 466 Ca 0.06 -0.74 0.22 0.00 -1.03 0.00 0.00 54.13 52.63 3g4i s LEU 466 Cb -0.14 -0.84 -0.28 0.00 0.03 0.00 0.00 46.19 44.95 3g4i s LEU 466 CO -0.02 -0.22 0.52 0.47 0.23 0.00 0.00 176.35 177.33 3g4i n ASP 467 N 4.91 0.13 -4.20 2.29 9.92 -1.26 -4.90 116.55 123.43 3g4i n ASP 467 Ca -0.11 0.05 -0.12 0.00 -0.53 0.00 0.00 54.79 54.08 3g4i n ASP 467 Cb 0.47 1.66 -0.10 0.00 -0.64 0.00 0.00 41.12 42.51 3g4i n ASP 467 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3g4i s ASN 468 N -4.75 1.07 0.22 -2.24 2.20 -1.26 -5.06 114.94 105.13 3g4i s ASN 468 Ca -0.07 -1.12 -0.07 0.00 -0.94 0.00 0.00 52.86 50.65 3g4i s ASN 468 Cb 0.13 0.13 0.30 0.00 -2.00 0.00 0.00 41.25 39.80 3g4i s ASN 468 CO 0.89 -0.55 1.82 0.22 -2.94 0.00 0.00 177.10 176.53 3g4i h TYR 469 N 2.81 0.79 -0.76 1.54 3.20 -1.99 -2.14 116.97 120.41 3g4i h TYR 469 Ca -0.36 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.63 3g4i h TYR 469 Cb 1.19 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.14 3g4i h TYR 469 CO 0.54 0.37 0.41 1.03 -1.64 0.00 0.00 178.16 178.87 3g4i h SER 470 N 0.77 0.57 -0.20 -2.11 0.87 -1.99 0.18 113.55 111.65 3g4i h SER 470 Ca 0.34 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.79 3g4i h SER 470 Cb 0.22 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3g4i h SER 470 CO -0.19 0.33 -0.50 0.44 -0.53 0.00 0.00 176.83 176.38 3g4i h ASP 471 N 0.70 0.77 -0.11 6.23 3.32 -1.87 -2.24 116.42 123.21 3g4i h ASP 471 Ca 0.37 -0.57 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3g4i h ASP 471 Cb 0.36 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3g4i h ASP 471 CO -0.25 1.21 0.04 0.03 -1.72 0.00 0.00 179.24 178.54 3g4i h ARG 472 N 0.38 0.18 -0.17 3.56 3.08 -0.91 -2.19 114.38 118.30 3g4i h ARG 472 Ca -0.01 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 3g4i h ARG 472 Cb 1.11 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3g4i h ARG 472 CO 0.11 0.31 -0.47 0.97 -1.07 0.00 0.00 179.97 179.81 3g4i h ILE 473 N 0.01 1.32 -0.67 2.04 6.09 -0.73 -1.77 117.51 123.80 3g4i h ILE 473 Ca 0.04 -1.68 0.04 0.00 -1.37 0.00 0.00 64.86 61.88 3g4i h ILE 473 Cb 0.21 1.71 -0.05 0.00 0.47 0.00 0.00 36.82 39.16 3g4i h ILE 473 CO -0.00 0.52 0.41 -0.61 -3.07 0.00 0.00 178.15 175.39 3g4i h GLN 474 N 0.36 0.77 -0.50 2.19 4.15 -1.34 0.35 115.11 121.09 3g4i h GLN 474 Ca 0.02 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 3g4i h GLN 474 Cb 0.97 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 3g4i h GLN 474 CO 0.08 0.51 -0.17 0.28 -1.93 0.00 0.00 178.83 177.61 3g4i h VAL 475 N 0.79 1.27 -0.53 2.39 2.07 -1.07 -1.67 116.25 119.51 3g4i h VAL 475 Ca 0.28 -1.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 3g4i h VAL 475 Cb 0.06 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3g4i h VAL 475 CO -0.12 0.46 -0.01 -0.07 0.02 0.00 0.00 177.57 177.85 3g4i h LEU 476 N 0.86 0.92 -0.06 2.57 3.38 -0.79 0.51 115.31 122.71 3g4i h LEU 476 Ca 0.12 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3g4i h LEU 476 Cb 0.74 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3g4i h LEU 476 CO 0.06 1.01 0.04 1.56 0.09 0.00 0.00 178.44 181.20 3g4i h GLN 477 N 0.81 0.09 -0.22 1.13 4.20 -0.24 -2.34 115.11 118.53 3g4i h GLN 477 Ca 0.15 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 3g4i h GLN 477 Cb 0.54 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3g4i h GLN 477 CO 0.03 0.08 -0.22 -0.91 -0.67 0.00 0.00 178.83 177.14 3g4i h ASN 478 N 0.07 0.40 -0.02 1.46 2.35 -1.20 -1.34 115.58 117.29 3g4i h ASN 478 Ca 0.02 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3g4i h ASN 478 Cb 0.01 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 3g4i h ASN 478 CO -0.00 0.63 0.00 -0.03 -1.65 0.00 0.00 177.43 176.37 3g4i h MET 479 N 0.36 0.01 -0.29 0.81 4.05 -0.70 0.11 114.93 119.29 3g4i h MET 479 Ca 0.06 -0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.35 3g4i h MET 479 Cb 0.59 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 3g4i h MET 479 CO 0.04 0.01 -0.33 0.28 0.23 0.00 0.00 176.91 177.13 3g4i h VAL 480 N 0.01 1.29 -0.67 -5.77 2.07 -1.33 -1.25 116.25 110.59 3g4i h VAL 480 Ca 0.01 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 3g4i h VAL 480 Cb 0.01 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3g4i h VAL 480 CO -0.01 0.47 0.30 -0.74 0.02 0.00 0.00 177.57 177.61 3g4i h HIS 481 N 0.53 0.98 -0.73 1.57 6.17 -1.10 0.16 115.15 122.73 3g4i h HIS 481 Ca 0.06 -0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.08 3g4i h HIS 481 Cb 0.83 -0.30 -0.04 0.00 2.52 0.00 0.00 27.41 30.43 3g4i h HIS 481 CO 0.04 0.74 0.44 0.00 0.71 0.00 0.00 177.93 179.86 3g4i h ALA 483 N 1.23 0.65 -0.42 0.00 0.00 -0.67 -1.31 119.26 118.73 3g4i h ALA 483 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3g4i h ALA 483 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3g4i h ALA 483 CO -0.05 0.15 0.23 0.22 0.00 0.00 0.00 179.25 179.79 3g4i h ASP 484 N 0.68 0.51 -0.80 0.00 3.58 -0.38 -2.55 116.42 117.47 3g4i h ASP 484 Ca 0.18 -0.03 -0.49 0.00 0.42 0.00 0.00 57.03 57.11 3g4i h ASP 484 Cb 0.01 -0.13 -0.27 0.00 1.72 0.00 0.00 39.33 40.66 3g4i h ASP 484 CO -0.03 0.42 0.32 0.18 -2.88 0.00 0.00 179.24 177.25 3g4i n LEU 485 N -4.42 6.13 0.00 2.28 4.77 -0.42 -4.64 117.00 120.70 3g4i n LEU 485 Ca 0.03 -4.05 0.11 0.00 -0.03 0.00 0.00 56.01 52.08 3g4i n LEU 485 Cb 0.10 -0.76 0.08 0.00 -2.33 0.00 0.00 43.42 40.51 3g4i n LEU 485 CO 0.36 1.40 0.20 -1.54 -1.33 0.00 0.00 177.39 176.49 3g4i n SER 486 N -1.01 0.71 -0.21 -1.43 3.41 -0.53 -4.57 113.62 110.00 3g4i n SER 486 Ca 0.52 -0.54 0.01 0.00 -0.26 0.00 0.00 58.87 58.60 3g4i n SER 486 Cb 1.08 0.61 0.12 0.00 -0.26 0.00 0.00 64.21 65.76 3g4i n SER 486 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3g4i h ASN 487 N 0.00 -0.02 0.49 4.04 -0.26 -1.82 -0.88 115.58 117.13 3g4i h ASN 487 Ca 0.00 0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3g4i h ASN 487 Cb 0.53 0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.96 3g4i h ASN 487 CO 0.00 -0.01 0.00 -2.65 -1.06 0.00 0.00 177.43 173.71 3g4i n PRO 488 N -5.15 0.09 0.00 0.81 -0.02 -1.26 -2.34 135.00 127.13 3g4i n PRO 488 Ca 0.10 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 3g4i n PRO 488 Cb 0.35 -1.69 0.33 0.00 -0.02 0.00 0.00 33.50 32.46 3g4i n PRO 488 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g4i n THR 489 N -1.87 0.00 -2.69 3.45 -2.24 -0.34 -4.13 114.28 106.46 3g4i n THR 489 Ca 0.02 -0.19 -0.26 0.00 -2.27 0.00 0.00 64.05 61.36 3g4i n THR 489 Cb 0.16 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 69.01 3g4i n THR 489 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g4i s LYS 490 N -2.39 3.15 0.25 -0.78 -0.14 -0.99 -4.51 119.74 114.33 3g4i s LYS 490 Ca 0.26 -0.12 -0.29 0.00 -1.36 0.00 0.00 55.97 54.46 3g4i s LYS 490 Cb 0.19 -2.41 -0.15 0.00 -1.68 0.00 0.00 37.83 33.79 3g4i s LYS 490 CO 0.49 -0.40 0.99 -2.30 -0.76 0.00 0.00 175.35 173.37 3g4i n PRO 491 N -2.30 1.16 -0.33 -1.68 -0.02 -1.26 -4.59 135.00 125.97 3g4i n PRO 491 Ca 0.02 0.41 0.18 0.00 -2.02 0.00 0.00 63.50 62.09 3g4i n PRO 491 Cb 0.57 -1.77 0.38 0.00 -0.02 0.00 0.00 33.50 32.66 3g4i n PRO 491 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3g4i h LEU 492 N 2.21 0.54 -1.03 2.45 5.85 -1.94 0.15 115.31 123.54 3g4i h LEU 492 Ca -0.39 0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.60 3g4i h LEU 492 Cb 1.35 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.38 3g4i h LEU 492 CO 0.62 0.02 0.63 1.56 -0.34 0.00 0.00 178.44 180.94 3g4i h GLN 493 N 0.48 0.96 -0.01 1.25 4.20 -2.00 0.15 115.11 120.13 3g4i h GLN 493 Ca 0.64 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 59.17 3g4i h GLN 493 Cb 1.28 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 28.85 3g4i h GLN 493 CO -0.52 0.63 -0.47 -0.07 -0.67 0.00 0.00 178.83 177.73 3g4i h LEU 494 N 0.99 0.43 -0.49 1.46 3.38 -1.07 -3.24 115.31 116.77 3g4i h LEU 494 Ca 0.49 -0.75 0.04 0.00 0.09 0.00 0.00 57.88 57.75 3g4i h LEU 494 Cb 0.49 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3g4i h LEU 494 CO -0.26 1.13 0.25 0.22 0.09 0.00 0.00 178.44 179.87 3g4i h TYR 495 N -0.22 0.46 -0.53 1.13 3.20 -0.91 -2.11 116.97 118.01 3g4i h TYR 495 Ca -0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3g4i h TYR 495 Cb 1.19 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 3g4i h TYR 495 CO 0.15 0.23 0.20 0.00 -1.64 0.00 0.00 178.16 177.11 3g4i h ARG 496 N 0.49 0.76 -0.60 1.82 2.47 -1.12 -0.45 114.38 117.75 3g4i h ARG 496 Ca 0.21 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 3g4i h ARG 496 Cb 0.11 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 3g4i h ARG 496 CO -0.14 0.64 0.33 1.96 0.56 0.00 0.00 179.97 183.32 3g4i h GLN 497 N 0.75 0.84 -0.37 0.04 4.20 -1.43 -1.69 115.11 117.45 3g4i h GLN 497 Ca 0.18 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3g4i h GLN 497 Cb 0.17 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3g4i h GLN 497 CO -0.02 0.64 0.05 -1.49 -0.67 0.00 0.00 178.83 177.35 3g4i h TRP 498 N 0.82 0.66 -0.30 2.96 -0.00 -0.82 -2.40 115.95 116.87 3g4i h TRP 498 Ca 0.21 -0.09 0.04 0.00 -0.00 0.00 0.00 58.89 59.05 3g4i h TRP 498 Cb 0.04 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.16 28.98 3g4i h TRP 498 CO -0.01 0.67 0.06 1.15 -0.00 0.00 0.00 178.44 180.31 3g4i h THR 499 N 0.46 0.86 -0.82 1.49 2.02 -1.02 -0.23 112.91 115.67 3g4i h THR 499 Ca 0.11 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 67.32 3g4i h THR 499 Cb 0.37 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.38 3g4i h THR 499 CO 0.01 0.03 0.47 0.44 0.37 0.00 0.00 175.52 176.84 3g4i h ASP 500 N 0.17 0.69 -0.11 4.18 3.32 -1.26 -0.78 116.42 122.62 3g4i h ASP 500 Ca 0.14 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3g4i h ASP 500 Cb 0.15 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3g4i h ASP 500 CO -0.18 0.41 -0.01 0.03 -1.72 0.00 0.00 179.24 177.76 3g4i h ARG 501 N 0.81 0.20 -0.29 3.56 3.08 -1.02 -0.99 114.38 119.74 3g4i h ARG 501 Ca 0.39 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.25 3g4i h ARG 501 Cb 0.32 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3g4i h ARG 501 CO -0.23 0.47 -0.32 0.97 -1.07 0.00 0.00 179.97 179.80 3g4i h ILE 502 N -0.09 1.28 -0.62 2.04 6.09 -0.87 -1.34 117.51 124.01 3g4i h ILE 502 Ca 0.03 -1.44 -0.08 0.00 -1.37 0.00 0.00 64.86 62.00 3g4i h ILE 502 Cb 0.39 1.41 -0.02 0.00 0.47 0.00 0.00 36.82 39.06 3g4i h ILE 502 CO 0.01 0.46 0.06 0.24 -3.07 0.00 0.00 178.15 175.85 3g4i h MET 503 N 0.52 1.03 -0.23 2.19 2.86 -1.15 -0.14 114.93 120.01 3g4i h MET 503 Ca 0.06 -0.29 0.04 0.00 -2.06 0.00 0.00 59.70 57.45 3g4i h MET 503 Cb 0.80 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 3g4i h MET 503 CO 0.07 0.97 0.00 1.49 1.06 0.00 0.00 176.91 180.50 3g4i h GLU 504 N 0.96 0.07 -0.33 1.72 4.81 -0.81 -0.24 114.58 120.76 3g4i h GLU 504 Ca 0.18 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3g4i h GLU 504 Cb 0.47 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3g4i h GLU 504 CO 0.02 0.05 0.14 1.49 -0.73 0.00 0.00 179.01 179.98 3g4i h GLU 505 N 0.07 0.48 -0.29 1.92 4.81 -1.05 -1.89 114.58 118.64 3g4i h GLU 505 Ca 0.11 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3g4i h GLU 505 Cb 0.14 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3g4i h GLU 505 CO -0.18 0.47 0.16 0.74 -0.73 0.00 0.00 179.01 179.47 3g4i h PHE 506 N 0.39 0.40 -0.43 0.92 -1.00 -0.94 -2.12 116.94 114.15 3g4i h PHE 506 Ca 0.11 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.81 3g4i h PHE 506 Cb 0.16 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 3g4i h PHE 506 CO -0.01 0.33 -0.01 0.74 -1.61 0.00 0.00 178.31 177.76 3g4i h PHE 507 N 0.35 0.75 -0.44 -0.55 0.04 -1.01 -0.50 116.94 115.58 3g4i h PHE 507 Ca 0.10 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3g4i h PHE 507 Cb 0.07 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 3g4i h PHE 507 CO -0.03 0.71 0.26 -0.09 -0.60 0.00 0.00 178.31 178.56 3g4i h ARG 508 N 0.67 0.60 -0.63 1.51 2.43 -1.18 0.28 114.38 118.06 3g4i h ARG 508 Ca 0.13 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3g4i h ARG 508 Cb 0.42 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 3g4i h ARG 508 CO 0.02 0.45 0.39 0.37 -1.51 0.00 0.00 179.97 179.68 3g4i h GLN 509 N 0.58 0.84 -0.96 0.20 4.15 -0.83 -1.71 115.11 117.38 3g4i h GLN 509 Ca 0.16 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.53 3g4i h GLN 509 Cb 0.01 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.46 3g4i h GLN 509 CO -0.03 0.59 0.63 0.78 -1.93 0.00 0.00 178.83 178.88 3g4i h GLY 510 N 0.85 1.39 1.11 2.39 0.00 -0.74 0.82 103.07 108.88 3g4i h GLY 510 Ca 0.23 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 3g4i h GLY 510 CO -0.04 0.44 0.34 -0.55 0.00 0.00 0.00 176.54 176.72 3g4i h ASP 511 N 1.24 1.05 -0.27 0.19 3.32 -0.57 0.18 116.42 121.57 3g4i h ASP 511 Ca 0.37 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 3g4i h ASP 511 Cb -0.04 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.23 3g4i h ASP 511 CO -0.11 0.91 -0.35 0.03 -1.72 0.00 0.00 179.24 178.00 3g4i h ARG 512 N 1.12 0.71 -0.16 3.56 3.08 -0.59 -1.45 114.38 120.65 3g4i h ARG 512 Ca 0.26 -0.40 0.02 0.00 0.07 0.00 0.00 59.98 59.93 3g4i h ARG 512 Cb 0.17 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3g4i h ARG 512 CO -0.03 1.02 0.03 0.93 -1.07 0.00 0.00 179.97 180.86 3g4i h GLU 513 N 0.44 0.09 0.04 0.04 5.08 -0.63 -1.76 114.58 117.88 3g4i h GLU 513 Ca 0.03 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3g4i h GLU 513 Cb 0.93 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 3g4i h GLU 513 CO 0.08 0.06 -0.11 -0.09 -1.00 0.00 0.00 179.01 177.95 3g4i h ARG 514 N 0.10 -0.21 0.00 2.33 2.43 -0.59 -0.39 114.38 118.06 3g4i h ARG 514 Ca 0.07 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3g4i h ARG 514 Cb 0.07 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3g4i h ARG 514 CO -0.10 -0.14 -0.07 1.05 -1.51 0.00 0.00 179.97 179.20 3g4i h GLU 515 N -0.21 0.00 -0.01 0.20 4.11 -1.19 -1.54 114.58 115.95 3g4i h GLU 515 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3g4i h GLU 515 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3g4i h GLU 515 CO -0.09 0.07 -0.27 0.54 0.07 0.00 0.00 179.01 179.33 3g4i n ARG 516 N -3.52 0.61 -1.04 1.06 1.74 -0.67 -4.95 116.66 109.89 3g4i n ARG 516 Ca -0.02 -0.32 -0.01 0.00 -0.77 0.00 0.00 57.85 56.72 3g4i n ARG 516 Cb 0.20 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 3g4i n ARG 516 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4i n GLY 517 N 1.37 0.52 3.91 -0.13 0.00 -0.58 -5.04 105.19 105.23 3g4i n GLY 517 Ca 0.11 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 3g4i n GLY 517 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g4i s MET 518 N -1.37 3.56 0.27 1.61 -1.94 -0.23 -5.01 119.30 116.18 3g4i s MET 518 Ca 0.00 0.20 -0.29 0.00 -1.71 0.00 0.00 55.69 53.88 3g4i s MET 518 Cb 0.00 -2.39 -0.10 0.00 2.01 0.00 0.00 34.83 34.35 3g4i s MET 518 CO 0.00 -0.17 1.28 -1.21 -0.01 0.00 0.00 175.02 174.91 3g4i s GLU 519 N -4.64 4.41 -0.05 2.03 0.41 -1.26 -4.27 118.70 115.33 3g4i s GLU 519 Ca 0.47 2.09 -0.30 0.00 -0.41 0.00 0.00 54.97 56.83 3g4i s GLU 519 Cb -0.10 -3.14 -0.03 0.00 -1.78 0.00 0.00 34.13 29.08 3g4i s GLU 519 CO 0.43 -0.16 1.09 0.42 -0.49 0.00 0.00 175.26 176.56 3g4i s ILE 520 N -0.58 4.52 0.79 -1.63 1.01 -1.26 -4.91 121.20 119.14 3g4i s ILE 520 Ca 0.52 1.81 -0.13 0.00 0.00 0.00 0.00 60.65 62.85 3g4i s ILE 520 Cb -0.37 -4.16 0.07 0.00 0.01 0.00 0.00 42.46 38.01 3g4i s ILE 520 CO 0.45 0.04 1.17 -0.44 0.00 0.00 0.00 174.94 176.16 3g4i s SER 521 N 1.21 3.84 0.20 3.58 0.01 -1.26 -4.90 113.70 116.38 3g4i s SER 521 Ca 0.53 2.23 -0.32 0.00 1.31 0.00 0.00 55.95 59.70 3g4i s SER 521 Cb -0.22 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.29 3g4i s SER 521 CO 0.23 -2.49 1.41 -2.65 0.41 0.00 0.00 173.24 170.14 3g4i n PRO 522 N -3.29 1.88 -0.81 12.44 -0.02 -1.26 -1.84 135.00 142.10 3g4i n PRO 522 Ca 0.12 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3g4i n PRO 522 Cb 0.51 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3g4i n PRO 522 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3g4i n MET 523 N 2.35 0.00 -0.15 -0.52 2.81 -1.26 -4.89 117.12 115.46 3g4i n MET 523 Ca 0.14 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.15 3g4i n MET 523 Cb 0.29 -2.50 0.21 0.00 -0.71 0.00 0.00 33.22 30.52 3g4i n MET 523 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g4i s ASP 525 N -1.58 6.18 0.58 0.00 -1.08 -1.26 -3.67 116.67 115.83 3g4i s ASP 525 Ca 0.37 -1.10 0.36 0.00 -0.52 0.00 0.00 52.55 51.66 3g4i s ASP 525 Cb 0.22 -2.22 1.68 0.00 -1.46 0.00 0.00 42.92 41.13 3g4i s ASP 525 CO 0.31 -0.72 2.10 0.07 0.52 0.00 0.00 175.17 177.46 3g4i h LYS 526 N 8.83 0.00 -0.00 4.34 2.10 -1.90 -1.97 116.57 127.97 3g4i h LYS 526 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3g4i h LYS 526 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3g4i h LYS 526 CO 0.89 0.02 -0.34 0.72 -2.00 0.00 0.00 179.45 178.75 3g4i n HIS 527 N -3.14 0.00 -2.91 0.07 8.25 -1.26 -4.40 115.22 111.83 3g4i n HIS 527 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 3g4i n HIS 527 Cb 0.24 -0.17 0.02 0.00 1.12 0.00 0.00 29.99 31.20 3g4i n HIS 527 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3g4i n ASN 528 N -0.97 0.20 -4.66 0.41 3.02 -0.76 -5.12 115.26 107.38 3g4i n ASN 528 Ca 0.10 -2.98 -0.31 0.00 -0.03 0.00 0.00 54.58 51.36 3g4i n ASN 528 Cb 0.34 -0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.42 3g4i n ASN 528 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g4i s ALA 529 N -1.91 3.21 -0.55 5.41 0.00 -1.13 -4.77 121.76 122.02 3g4i s ALA 529 Ca 0.32 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.25 3g4i s ALA 529 Cb 0.38 -1.18 0.19 0.00 0.00 0.00 0.00 23.12 22.51 3g4i s ALA 529 CO -0.04 0.67 0.48 0.43 0.00 0.00 0.00 175.76 177.30 3g4i n SER 530 N 0.93 1.45 -0.05 0.00 7.64 -1.26 -5.01 113.62 117.31 3g4i n SER 530 Ca -0.13 -2.87 -0.08 0.00 1.01 0.00 0.00 58.87 56.81 3g4i n SER 530 Cb 0.52 -0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 63.05 3g4i n SER 530 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g4i h VAL 531 N 3.95 0.84 0.10 0.44 2.07 -1.98 0.23 116.25 121.91 3g4i h VAL 531 Ca 0.19 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3g4i h VAL 531 Cb 0.81 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3g4i h VAL 531 CO 0.57 0.02 -0.05 -0.33 0.02 0.00 0.00 177.57 177.80 3g4i h GLU 532 N 0.09 -0.14 -0.79 1.57 3.07 -1.93 -1.17 114.58 115.28 3g4i h GLU 532 Ca 0.11 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.09 3g4i h GLU 532 Cb 0.14 0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 28.00 3g4i h GLU 532 CO -0.18 0.04 0.41 0.87 -1.40 0.00 0.00 179.01 178.76 3g4i h LYS 533 N -0.29 0.64 -0.51 2.33 1.57 -1.79 -2.25 116.57 116.27 3g4i h LYS 533 Ca -0.01 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3g4i h LYS 533 Cb 0.24 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3g4i h LYS 533 CO 0.02 0.43 -0.07 0.77 -0.57 0.00 0.00 179.45 180.03 3g4i h SER 534 N 0.66 0.89 -0.51 0.86 0.02 -0.31 -1.85 113.55 113.32 3g4i h SER 534 Ca 0.40 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 3g4i h SER 534 Cb 0.45 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3g4i h SER 534 CO -0.29 0.99 -0.07 1.56 -1.14 0.00 0.00 176.83 177.89 3g4i h GLN 535 N 0.82 0.95 -0.69 3.45 1.08 -0.85 0.53 115.11 120.39 3g4i h GLN 535 Ca 0.14 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 3g4i h GLN 535 Cb 0.59 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 3g4i h GLN 535 CO 0.04 1.00 0.38 0.28 -0.95 0.00 0.00 178.83 179.58 3g4i h VAL 536 N 0.81 1.21 -0.33 -0.54 2.07 -1.28 -0.86 116.25 117.34 3g4i h VAL 536 Ca 0.14 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3g4i h VAL 536 Cb 0.61 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3g4i h VAL 536 CO 0.04 0.23 0.09 1.23 0.02 0.00 0.00 177.57 179.18 3g4i h GLY 537 N 0.94 0.56 0.31 2.17 0.00 -1.16 -0.36 103.07 105.54 3g4i h GLY 537 Ca 0.24 -0.34 0.08 0.00 0.00 0.00 0.00 47.33 47.31 3g4i h GLY 537 CO -0.04 0.32 0.02 -2.75 0.00 0.00 0.00 176.54 174.09 3g4i h PHE 538 N 0.37 0.01 -0.01 5.60 3.57 -0.67 0.17 116.94 125.98 3g4i h PHE 538 Ca 0.10 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3g4i h PHE 538 Cb 0.28 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 3g4i h PHE 538 CO 0.01 -0.07 0.00 0.82 -2.23 0.00 0.00 178.31 176.84 3g4i h ILE 539 N 0.14 1.24 -0.32 1.41 2.04 -1.00 -0.91 117.51 120.11 3g4i h ILE 539 Ca 0.22 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 3g4i h ILE 539 Cb 0.31 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 3g4i h ILE 539 CO -0.35 0.18 -0.18 0.44 0.00 0.00 0.00 178.15 178.25 3g4i h ASP 540 N -0.27 0.57 0.14 1.72 3.32 -0.88 0.54 116.42 121.55 3g4i h ASP 540 Ca 0.00 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.75 3g4i h ASP 540 Cb 0.30 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3g4i h ASP 540 CO 0.00 0.76 -1.99 -1.22 -1.72 0.00 0.00 179.24 175.07 3g4i n TYR 541 N -4.15 0.16 0.05 4.55 4.02 0.03 -4.51 117.16 117.30 3g4i n TYR 541 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 3g4i n TYR 541 Cb 0.37 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 3g4i n TYR 541 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3g4i n ILE 542 N -2.50 0.62 0.02 -0.72 5.41 -0.43 -4.80 119.36 116.96 3g4i n ILE 542 Ca -0.13 0.20 -0.18 0.00 1.00 0.00 0.00 62.75 63.64 3g4i n ILE 542 Cb 0.77 -1.33 -0.13 0.00 -0.71 0.00 0.00 39.64 38.24 3g4i n ILE 542 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3g4i h VAL 543 N 0.00 1.54 -0.26 1.39 2.07 -1.20 -2.88 116.25 116.91 3g4i h VAL 543 Ca 0.00 -2.35 -0.04 0.00 0.82 0.00 0.00 66.70 65.13 3g4i h VAL 543 Cb 0.29 3.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 3g4i h VAL 543 CO 0.00 0.66 0.02 -0.74 0.02 0.00 0.00 177.57 177.53 3g4i h HIS 544 N -0.42 0.49 -0.70 1.57 -0.00 -0.17 -1.41 115.15 114.51 3g4i h HIS 544 Ca -0.10 -0.08 0.10 0.00 -0.00 0.00 0.00 60.37 60.29 3g4i h HIS 544 Cb 1.42 -0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 28.62 3g4i h HIS 544 CO 0.20 0.59 0.33 -1.35 -0.00 0.00 0.00 177.93 177.70 3g4i h PRO 545 N 0.24 0.54 0.48 5.26 0.11 -1.73 0.86 132.00 137.77 3g4i h PRO 545 Ca 0.08 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 3g4i h PRO 545 Cb 0.38 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3g4i h PRO 545 CO 0.01 0.36 -0.23 1.25 -0.21 0.00 0.00 178.00 179.18 3g4i h LEU 546 N 0.56 -0.54 -0.72 2.35 5.85 -1.39 -2.74 115.31 118.68 3g4i h LEU 546 Ca 0.35 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.94 3g4i h LEU 546 Cb 0.40 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3g4i h LEU 546 CO -0.29 -0.35 -0.31 -0.50 -0.34 0.00 0.00 178.44 176.66 3g4i h TRP 547 N -0.70 0.74 -0.82 1.25 4.06 -1.04 -0.87 115.95 118.57 3g4i h TRP 547 Ca -0.07 -0.19 0.03 0.00 2.06 0.00 0.00 58.89 60.73 3g4i h TRP 547 Cb 0.52 -0.17 -0.05 0.00 -1.00 0.00 0.00 29.16 28.46 3g4i h TRP 547 CO -0.03 0.87 0.53 1.49 -3.56 0.00 0.00 178.44 177.74 3g4i h GLU 548 N 0.55 0.99 -0.46 0.49 4.81 -0.91 0.29 114.58 120.35 3g4i h GLU 548 Ca 0.06 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3g4i h GLU 548 Cb 0.80 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3g4i h GLU 548 CO 0.07 0.66 -0.10 1.15 -0.73 0.00 0.00 179.01 180.05 3g4i h THR 549 N 1.02 1.27 -0.25 0.32 2.02 -1.10 -1.79 112.91 114.40 3g4i h THR 549 Ca 0.33 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 3g4i h THR 549 Cb 0.01 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3g4i h THR 549 CO -0.11 0.42 0.14 -0.25 0.37 0.00 0.00 175.52 176.08 3g4i h TRP 550 N 0.71 0.35 -0.85 3.16 2.91 -0.78 -2.10 115.95 119.34 3g4i h TRP 550 Ca 0.12 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.22 3g4i h TRP 550 Cb 0.64 -0.11 -0.06 0.00 -0.51 0.00 0.00 29.16 29.12 3g4i h TRP 550 CO 0.05 0.31 0.55 0.00 -1.03 0.00 0.00 178.44 178.32 3g4i h ALA 551 N 1.01 1.67 -0.46 2.65 0.00 -0.34 -0.98 119.26 122.80 3g4i h ALA 551 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3g4i h ALA 551 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3g4i h ALA 551 CO -0.01 0.17 0.16 -0.44 0.00 0.00 0.00 179.25 179.13 3g4i h ASP 552 N 0.84 0.65 -0.80 0.00 3.32 -1.09 0.13 116.42 119.48 3g4i h ASP 552 Ca 0.39 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.31 3g4i h ASP 552 Cb 0.39 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 3g4i h ASP 552 CO -0.16 0.67 0.49 0.25 -1.72 0.00 0.00 179.24 178.77 3g4i h LEU 553 N 0.61 0.78 -3.31 1.55 5.85 -0.53 -3.03 115.31 117.23 3g4i h LEU 553 Ca 0.15 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3g4i h LEU 553 Cb 0.23 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3g4i h LEU 553 CO -0.01 0.51 0.00 1.33 -0.34 0.00 0.00 178.44 179.93 3g4i n VAL 554 N -4.65 2.36 -1.59 1.05 0.24 -0.62 -4.96 118.33 110.17 3g4i n VAL 554 Ca 0.11 -1.82 -0.50 0.00 -2.04 0.00 0.00 64.34 60.09 3g4i n VAL 554 Cb 0.16 -0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 32.22 3g4i n VAL 554 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3g4i n HIS 555 N -0.36 1.48 -0.49 6.34 -0.00 0.45 -0.65 115.22 122.00 3g4i n HIS 555 Ca 0.22 0.63 0.07 0.00 -0.00 0.00 0.00 57.72 58.64 3g4i n HIS 555 Cb 0.94 -2.32 0.33 0.00 -0.00 0.00 0.00 29.99 28.94 3g4i n HIS 555 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3g4i n PRO 556 N 2.14 3.94 -0.31 1.57 -0.04 -1.26 -4.98 135.00 136.06 3g4i n PRO 556 Ca 0.16 -2.60 0.14 0.00 -0.04 0.00 0.00 63.50 61.16 3g4i n PRO 556 Cb 0.23 -2.02 0.37 0.00 -0.04 0.00 0.00 33.50 32.04 3g4i n PRO 556 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3g4i h ASP 557 N 3.46 0.69 -0.52 3.54 3.32 -1.17 -2.56 116.42 123.18 3g4i h ASP 557 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3g4i h ASP 557 Cb 1.57 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.06 3g4i h ASP 557 CO 0.33 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 3g4i n ALA 558 N -2.40 3.50 -0.12 3.45 0.00 -1.26 -4.61 120.51 119.06 3g4i n ALA 558 Ca 0.21 -1.57 -0.10 0.00 0.00 0.00 0.00 53.44 51.98 3g4i n ALA 558 Cb 0.55 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 3g4i n ALA 558 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3g4i h GLN 559 N 3.51 0.57 -0.60 0.00 5.75 -1.82 -1.36 115.11 121.16 3g4i h GLN 559 Ca 0.00 -0.12 -0.07 0.00 -0.15 0.00 0.00 58.65 58.32 3g4i h GLN 559 Cb 1.64 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 30.08 3g4i h GLN 559 CO 0.36 0.57 0.11 -0.44 -2.65 0.00 0.00 178.83 176.78 3g4i h ASP 560 N 0.45 0.94 -0.29 -0.69 3.32 -1.85 0.60 116.42 118.88 3g4i h ASP 560 Ca 0.12 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 56.95 3g4i h ASP 560 Cb 0.24 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3g4i h ASP 560 CO -0.01 0.95 0.10 0.40 -1.72 0.00 0.00 179.24 178.96 3g4i h ILE 561 N 0.88 0.91 -0.59 0.35 2.04 -1.85 0.22 117.51 119.48 3g4i h ILE 561 Ca 0.18 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 3g4i h ILE 561 Cb 0.41 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3g4i h ILE 561 CO 0.01 0.04 0.13 0.25 0.00 0.00 0.00 178.15 178.58 3g4i h LEU 562 N 0.22 0.87 -0.60 1.44 5.85 -0.97 -1.60 115.31 120.52 3g4i h LEU 562 Ca 0.13 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3g4i h LEU 562 Cb 0.10 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3g4i h LEU 562 CO -0.14 0.86 0.26 0.44 -0.34 0.00 0.00 178.44 179.52 3g4i h ASP 563 N 0.89 0.81 -0.49 1.25 3.32 -0.43 -1.97 116.42 119.80 3g4i h ASP 563 Ca 0.19 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3g4i h ASP 563 Cb 0.34 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3g4i h ASP 563 CO 0.00 0.74 0.25 0.74 -1.72 0.00 0.00 179.24 179.25 3g4i h THR 564 N 0.83 1.18 -0.52 0.35 2.02 -0.67 -1.11 112.91 115.00 3g4i h THR 564 Ca 0.20 -0.51 0.07 0.00 0.77 0.00 0.00 66.41 66.95 3g4i h THR 564 Cb 0.16 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 3g4i h THR 564 CO -0.02 0.20 0.18 0.25 0.37 0.00 0.00 175.52 176.50 3g4i h LEU 565 N 0.65 0.18 -0.56 2.58 5.85 -1.11 -0.52 115.31 122.38 3g4i h LEU 565 Ca 0.17 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.83 3g4i h LEU 565 Cb 0.10 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3g4i h LEU 565 CO -0.02 0.13 -0.15 -0.33 -0.34 0.00 0.00 178.44 177.72 3g4i h GLU 566 N 0.36 1.00 -0.43 1.25 5.08 -1.10 -0.50 114.58 120.22 3g4i h GLU 566 Ca 0.25 -0.39 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3g4i h GLU 566 Cb 0.28 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3g4i h GLU 566 CO -0.26 1.07 0.26 -0.44 -1.00 0.00 0.00 179.01 178.64 3g4i h ASP 567 N 0.88 0.43 -0.52 1.42 3.32 -0.87 -1.91 116.42 119.16 3g4i h ASP 567 Ca 0.13 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3g4i h ASP 567 Cb 0.72 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3g4i h ASP 567 CO 0.06 0.31 0.01 0.78 -1.72 0.00 0.00 179.24 178.68 3g4i h ASN 568 N 0.53 0.93 -0.43 6.45 2.35 -0.85 -0.97 115.58 123.58 3g4i h ASN 568 Ca 0.17 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3g4i h ASN 568 Cb -0.00 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.08 3g4i h ASN 568 CO -0.07 0.98 0.20 -0.09 -1.65 0.00 0.00 177.43 176.80 3g4i h ARG 569 N 0.88 0.39 -0.44 0.81 1.12 -0.94 -1.77 114.38 114.43 3g4i h ARG 569 Ca 0.17 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.91 3g4i h ARG 569 Cb 0.50 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.36 3g4i h ARG 569 CO 0.02 0.26 -0.12 0.93 -3.11 0.00 0.00 179.97 177.95 3g4i h GLU 570 N 0.40 0.81 0.10 0.20 4.39 -1.09 -0.66 114.58 118.73 3g4i h GLU 570 Ca 0.19 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.63 3g4i h GLU 570 Cb 0.13 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3g4i h GLU 570 CO -0.15 0.89 -0.15 2.35 -1.16 0.00 0.00 179.01 180.79 3g4i h TRP 571 N 0.73 -0.38 -0.76 4.33 7.01 -0.84 -0.27 115.95 125.78 3g4i h TRP 571 Ca 0.12 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 3g4i h TRP 571 Cb 0.61 0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.79 3g4i h TRP 571 CO 0.03 -0.22 0.37 1.88 -2.79 0.00 0.00 178.44 177.71 3g4i h TYR 572 N -0.29 1.08 -0.56 2.65 0.05 -1.22 -2.51 116.97 116.18 3g4i h TYR 572 Ca 0.02 -0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.80 3g4i h TYR 572 Cb 0.30 -0.34 -0.05 0.00 1.01 0.00 0.00 36.73 37.66 3g4i h TYR 572 CO -0.15 0.79 0.29 0.37 -1.05 0.00 0.00 178.16 178.40 3g4i h GLN 573 N 1.06 0.53 0.00 4.88 5.75 -0.92 -1.59 115.11 124.82 3g4i h GLN 573 Ca 0.26 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3g4i h GLN 573 Cb 0.11 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.54 3g4i h GLN 573 CO -0.03 0.35 0.00 -1.13 -2.65 0.00 0.00 178.83 175.37 3g4i n SER 574 N -4.86 0.06 -0.37 -0.69 3.41 -0.13 -2.91 113.62 108.14 3g4i n SER 574 Ca 0.06 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.28 3g4i n SER 574 Cb 0.15 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 3g4i n SER 574 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3g4i n THR 575 N -1.57 0.00 -2.03 6.66 -1.04 -0.62 -4.93 114.28 110.74 3g4i n THR 575 Ca 0.04 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.05 61.36 3g4i n THR 575 Cb 0.18 1.19 -0.03 0.00 -1.82 0.00 0.00 70.33 69.86 3g4i n THR 575 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3g4i s ILE 576 N -2.27 3.58 0.04 12.58 1.01 -1.06 -4.97 121.20 130.12 3g4i s ILE 576 Ca 0.15 0.75 -0.31 0.00 0.00 0.00 0.00 60.65 61.24 3g4i s ILE 576 Cb 0.15 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 3g4i s ILE 576 CO 0.53 -0.06 1.42 -2.16 0.00 0.00 0.00 174.94 174.67 3g4i s PRO 577 N 3.80 4.29 0.00 2.79 0.04 -1.26 -5.09 135.00 139.57 3g4i s PRO 577 Ca 0.72 2.04 0.26 0.00 0.04 0.00 0.00 61.00 64.06 3g4i s PRO 577 Cb -0.33 -3.47 1.56 0.00 0.04 0.00 0.00 34.50 32.29 3g4i s PRO 577 CO 0.29 -0.55 1.91 1.04 0.04 0.00 0.00 177.00 179.73