#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8v s ASN 290 N 0.00 7.44 -0.61 3.17 3.84 -1.26 -5.03 114.94 122.50 3i8v s ASN 290 Ca 0.00 1.89 -0.07 0.00 0.21 0.00 0.00 52.86 54.89 3i8v s ASN 290 Cb 0.00 -2.59 0.16 0.00 -0.55 0.00 0.00 41.25 38.26 3i8v s ASN 290 CO 0.00 -0.10 0.46 -0.63 -2.79 0.00 0.00 177.10 174.05 3i8v s ILE 291 N -0.13 4.21 0.81 -5.21 -1.09 -1.26 -5.04 121.20 113.49 3i8v s ILE 291 Ca 0.47 -2.47 -0.12 0.00 -2.23 0.00 0.00 60.65 56.30 3i8v s ILE 291 Cb -0.25 -3.72 0.09 0.00 -1.58 0.00 0.00 42.46 36.99 3i8v s ILE 291 CO 0.31 -0.87 1.17 -2.84 -1.23 0.00 0.00 174.94 171.48 3i8v s PRO 292 N 0.47 1.69 0.23 2.79 0.02 -1.26 -4.86 135.00 134.08 3i8v s PRO 292 Ca 0.13 1.59 -0.15 0.00 0.02 0.00 0.00 61.00 62.60 3i8v s PRO 292 Cb -0.20 -1.80 0.29 0.00 0.02 0.00 0.00 34.50 32.81 3i8v s PRO 292 CO -0.04 -2.14 1.57 -0.09 -0.33 0.00 0.00 177.00 175.97 3i8v h ARG 293 N -1.07 -0.03 -0.71 5.54 2.43 -1.99 -0.20 114.38 118.35 3i8v h ARG 293 Ca -0.45 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.45 3i8v h ARG 293 Cb 1.28 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.67 3i8v h ARG 293 CO 0.46 -0.02 0.29 1.19 -1.51 0.00 0.00 179.97 180.39 3i8v n PHE 294 N -5.51 2.29 0.00 2.20 3.72 -1.26 -4.94 117.46 113.96 3i8v n PHE 294 Ca 0.10 -1.39 0.00 0.00 -0.05 0.00 0.00 57.45 56.11 3i8v n PHE 294 Cb 0.41 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 3i8v n PHE 294 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i8v n GLY 295 N -0.57 2.95 3.06 1.37 0.00 -0.09 -4.58 105.19 107.33 3i8v n GLY 295 Ca 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.36 3i8v n GLY 295 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8v s VAL 296 N -1.87 0.15 0.43 1.61 -7.23 -1.26 -4.59 120.40 107.65 3i8v s VAL 296 Ca 0.00 -1.27 -0.25 0.00 -1.81 0.00 0.00 61.98 58.64 3i8v s VAL 296 Cb 0.00 -0.91 -0.08 0.00 0.56 0.00 0.00 36.38 35.95 3i8v s VAL 296 CO 0.00 -0.70 1.32 -0.75 -0.31 0.00 0.00 175.10 174.66 3i8v s LYS 297 N -2.69 3.82 -0.13 4.82 2.20 -1.26 -4.72 119.74 121.78 3i8v s LYS 297 Ca -0.04 2.19 -0.10 0.00 -0.36 0.00 0.00 55.97 57.65 3i8v s LYS 297 Cb -0.01 -2.67 0.04 0.00 -1.51 0.00 0.00 37.83 33.68 3i8v s LYS 297 CO -0.05 -0.62 0.33 -0.08 -0.36 0.00 0.00 175.35 174.56 3i8v s THR 298 N -1.27 -0.01 -2.41 3.43 -1.32 -1.26 -4.56 115.64 108.24 3i8v s THR 298 Ca 0.59 0.04 0.26 0.00 -1.21 0.00 0.00 61.69 61.37 3i8v s THR 298 Cb -0.39 -0.47 0.52 0.00 -1.51 0.00 0.00 72.50 70.66 3i8v s THR 298 CO 0.49 0.01 1.69 0.47 -2.21 0.00 0.00 174.62 175.07 3i8v n ASP 299 N 3.30 1.52 -3.03 8.08 8.00 -1.26 -4.34 116.55 128.82 3i8v n ASP 299 Ca -0.16 -1.56 -0.15 0.00 0.71 0.00 0.00 54.79 53.62 3i8v n ASP 299 Cb 0.57 -0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3i8v n ASP 299 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i8v n GLN 300 N 0.20 1.01 -0.26 -1.24 6.02 -1.26 -4.97 117.38 116.87 3i8v n GLN 300 Ca 0.18 -3.12 0.05 0.00 -0.01 0.00 0.00 57.00 54.10 3i8v n GLN 300 Cb 0.34 -1.49 0.28 0.00 1.02 0.00 0.00 30.24 30.39 3i8v n GLN 300 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3i8v h GLU 301 N 2.97 0.90 -0.20 -1.09 4.81 -1.88 -1.91 114.58 118.17 3i8v h GLU 301 Ca 0.03 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 3i8v h GLU 301 Cb 1.03 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3i8v h GLU 301 CO 0.43 0.59 -0.50 0.93 -0.73 0.00 0.00 179.01 179.73 3i8v h GLU 302 N 0.92 0.70 -0.57 1.92 4.39 -1.97 0.48 114.58 120.45 3i8v h GLU 302 Ca 0.37 -0.48 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 3i8v h GLU 302 Cb 0.24 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3i8v h GLU 302 CO -0.14 1.10 0.01 -0.07 -1.16 0.00 0.00 179.01 178.76 3i8v h LEU 303 N 0.40 0.94 -0.47 1.33 3.38 -1.96 -2.28 115.31 116.66 3i8v h LEU 303 Ca -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3i8v h LEU 303 Cb 1.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3i8v h LEU 303 CO 0.11 0.99 0.18 0.25 0.09 0.00 0.00 178.44 180.06 3i8v h LEU 304 N 0.90 0.67 -1.28 1.67 5.85 -1.24 -2.21 115.31 119.66 3i8v h LEU 304 Ca 0.17 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3i8v h LEU 304 Cb 0.51 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3i8v h LEU 304 CO 0.02 0.66 0.51 0.00 -0.34 0.00 0.00 178.44 179.29 3i8v h ALA 305 N 1.03 1.56 -0.22 1.25 0.00 -0.75 -0.94 119.26 121.19 3i8v h ALA 305 Ca 0.16 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3i8v h ALA 305 Cb 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3i8v h ALA 305 CO -0.01 0.36 -0.17 0.37 0.00 0.00 0.00 179.25 179.79 3i8v h GLN 306 N 0.92 0.50 -0.53 0.00 4.15 -1.17 -2.81 115.11 116.18 3i8v h GLN 306 Ca 0.31 -0.25 -0.09 0.00 0.77 0.00 0.00 58.65 59.40 3i8v h GLN 306 Cb 0.08 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3i8v h GLN 306 CO -0.09 0.82 -0.01 0.93 -1.93 0.00 0.00 178.83 178.55 3i8v h GLU 307 N 0.20 0.91 0.00 1.69 4.39 -1.11 -2.85 114.58 117.81 3i8v h GLU 307 Ca 0.04 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3i8v h GLU 307 Cb 0.70 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3i8v h GLU 307 CO 0.04 0.91 0.00 1.28 -1.16 0.00 0.00 179.01 180.09 3i8v n LEU 308 N -4.19 0.00 0.28 1.33 4.77 -0.38 -0.82 117.00 117.99 3i8v n LEU 308 Ca 0.03 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 3i8v n LEU 308 Cb 0.33 -0.49 0.83 0.00 -2.33 0.00 0.00 43.42 41.75 3i8v n LEU 308 CO 0.43 -0.31 1.08 -0.33 -1.33 0.00 0.00 177.39 176.92 3i8v h GLU 309 N 0.00 0.00 -0.41 3.23 4.39 -1.25 -2.19 114.58 118.35 3i8v h GLU 309 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i8v h GLU 309 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3i8v h GLU 309 CO 0.00 0.03 0.00 0.09 -1.16 0.00 0.00 179.01 177.97 3i8v n ASN 310 N -3.91 2.17 -0.31 1.42 3.02 -0.00 -4.56 115.26 113.09 3i8v n ASN 310 Ca -0.03 -2.02 0.18 0.00 -0.03 0.00 0.00 54.58 52.68 3i8v n ASN 310 Cb 0.12 -0.28 0.36 0.00 -0.61 0.00 0.00 39.78 39.38 3i8v n ASN 310 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3i8v h LEU 311 N 2.31 0.13 -1.88 3.41 5.85 -1.55 0.82 115.31 124.41 3i8v h LEU 311 Ca 0.00 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3i8v h LEU 311 Cb 0.56 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3i8v h LEU 311 CO 0.01 -0.19 0.00 0.59 -0.34 0.00 0.00 178.44 178.51 3i8v n ASN 312 N -5.20 2.75 -4.43 1.25 3.02 -1.26 -4.83 115.26 106.56 3i8v n ASN 312 Ca 0.26 -2.07 -0.30 0.00 -0.03 0.00 0.00 54.58 52.44 3i8v n ASN 312 Cb 0.82 -0.36 -0.13 0.00 -0.61 0.00 0.00 39.78 39.51 3i8v n ASN 312 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3i8v s LYS 313 N -1.44 1.84 0.49 3.52 1.02 0.28 -4.80 119.74 120.65 3i8v s LYS 313 Ca 0.33 -1.12 0.19 0.00 0.02 0.00 0.00 55.97 55.39 3i8v s LYS 313 Cb 0.18 -2.08 1.23 0.00 -0.52 0.00 0.00 37.83 36.64 3i8v s LYS 313 CO 0.21 0.51 2.00 2.35 -0.92 0.00 0.00 175.35 179.50 3i8v h TRP 314 N 4.29 0.19 -0.00 3.18 2.91 -1.91 -2.85 115.95 121.75 3i8v h TRP 314 Ca -0.48 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.54 3i8v h TRP 314 Cb 1.16 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 3i8v h TRP 314 CO 0.55 0.09 -0.00 0.41 -1.03 0.00 0.00 178.44 178.46 3i8v n GLY 315 N -1.58 -0.95 3.59 2.65 0.00 -1.26 -4.88 105.19 102.77 3i8v n GLY 315 Ca 0.08 -0.21 -0.47 0.00 0.00 0.00 0.00 46.02 45.43 3i8v n GLY 315 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i8v n LEU 316 N -0.94 1.79 -4.23 0.99 -0.00 -1.08 -4.96 117.00 108.57 3i8v n LEU 316 Ca 0.24 1.16 -0.41 0.00 -0.00 0.00 0.00 56.01 56.99 3i8v n LEU 316 Cb 0.13 -1.27 -0.08 0.00 -0.00 0.00 0.00 43.42 42.20 3i8v n LEU 316 CO 0.18 -1.26 -0.02 0.21 -0.00 0.00 0.00 177.39 176.50 3i8v s ASN 317 N -0.20 5.74 0.44 1.96 3.84 -1.26 -4.93 114.94 120.53 3i8v s ASN 317 Ca 0.67 -1.83 0.24 0.00 0.21 0.00 0.00 52.86 52.15 3i8v s ASN 317 Cb -0.77 -2.03 0.87 0.00 -0.55 0.00 0.00 41.25 38.77 3i8v s ASN 317 CO 0.55 -0.68 1.80 -0.29 -2.79 0.00 0.00 177.10 175.69 3i8v h ILE 318 N 6.10 0.50 0.00 -5.21 6.09 -1.98 -2.59 117.51 120.41 3i8v h ILE 318 Ca -0.22 -1.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.13 3i8v h ILE 318 Cb 1.08 1.80 0.00 0.00 0.47 0.00 0.00 36.82 40.17 3i8v h ILE 318 CO 0.86 0.21 0.00 0.49 -3.07 0.00 0.00 178.15 176.64 3i8v n PHE 319 N -3.33 0.00 0.00 2.19 3.72 -1.26 -0.62 117.46 118.16 3i8v n PHE 319 Ca 0.01 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3i8v n PHE 319 Cb 0.45 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3i8v n PHE 319 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3i8v n VAL 321 N 0.46 0.00 -0.15 -4.37 0.31 -0.98 -1.50 118.33 112.10 3i8v n VAL 321 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 3i8v n VAL 321 Cb 0.07 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.06 3i8v n VAL 321 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3i8v h SER 322 N 0.00 -0.04 0.06 4.52 0.87 -1.16 0.15 113.55 117.95 3i8v h SER 322 Ca 0.00 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3i8v h SER 322 Cb 0.00 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3i8v h SER 322 CO 0.00 0.01 -0.13 0.44 -0.53 0.00 0.00 176.83 176.62 3i8v h ASP 323 N 0.20 -0.37 0.72 6.23 3.32 -1.53 -0.98 116.42 124.02 3i8v h ASP 323 Ca 0.24 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3i8v h ASP 323 Cb 0.32 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3i8v h ASP 323 CO -0.33 -0.19 0.00 -1.22 -1.72 0.00 0.00 179.24 175.78 3i8v n TYR 324 N -5.26 0.36 -0.79 4.55 0.53 -0.95 -2.34 117.16 113.26 3i8v n TYR 324 Ca -0.06 0.13 0.08 0.00 -1.02 0.00 0.00 57.90 57.03 3i8v n TYR 324 Cb 0.18 -0.72 0.31 0.00 -1.03 0.00 0.00 39.34 38.08 3i8v n TYR 324 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i8v n ALA 325 N -1.62 3.17 -2.89 -0.72 0.00 0.47 -4.54 120.51 114.38 3i8v n ALA 325 Ca 0.04 -1.92 -0.21 0.00 0.00 0.00 0.00 53.44 51.35 3i8v n ALA 325 Cb 0.23 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 18.84 3i8v n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8v n GLY 326 N 0.29 -0.51 0.93 0.00 0.00 -0.99 -1.65 105.19 103.25 3i8v n GLY 326 Ca 0.23 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3i8v n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8v n GLY 327 N -1.32 0.87 2.61 -0.02 0.00 -0.41 -4.97 105.19 101.96 3i8v n GLY 327 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3i8v n GLY 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8v n ARG 328 N -2.00 2.92 -0.15 1.61 5.12 -0.66 -4.70 116.66 118.81 3i8v n ARG 328 Ca 0.00 -2.92 -0.03 0.00 -1.93 0.00 0.00 57.85 52.97 3i8v n ARG 328 Cb 0.00 -2.25 0.19 0.00 -1.16 0.00 0.00 32.46 29.24 3i8v n ARG 328 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3i8v h SER 329 N 3.25 0.81 -0.00 0.55 4.64 -1.84 -1.28 113.55 119.67 3i8v h SER 329 Ca 0.48 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3i8v h SER 329 Cb 0.46 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3i8v h SER 329 CO 1.11 0.76 -0.00 0.25 -0.87 0.00 0.00 176.83 178.08 3i8v h LEU 330 N 0.85 0.01 -0.70 5.97 5.85 -1.84 -0.71 115.31 124.74 3i8v h LEU 330 Ca 0.19 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 3i8v h LEU 330 Cb 0.24 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3i8v h LEU 330 CO -0.01 0.41 0.28 0.74 -0.34 0.00 0.00 178.44 179.52 3i8v h THR 331 N -0.39 1.25 0.71 1.05 2.02 -1.81 -1.39 112.91 114.34 3i8v h THR 331 Ca 0.00 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 3i8v h THR 331 Cb 0.41 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3i8v h THR 331 CO 0.00 0.31 -0.34 0.00 0.37 0.00 0.00 175.52 175.86 3i8v h ILE 333 N -0.99 1.22 -0.10 0.00 6.09 -1.06 -1.23 117.51 121.44 3i8v h ILE 333 Ca -0.10 -0.93 -0.21 0.00 -1.37 0.00 0.00 64.86 62.25 3i8v h ILE 333 Cb 0.74 1.02 0.01 0.00 0.47 0.00 0.00 36.82 39.06 3i8v h ILE 333 CO 0.16 0.31 -0.79 -0.03 -3.07 0.00 0.00 178.15 174.73 3i8v h MET 334 N 0.53 0.62 0.25 2.19 4.05 -1.24 0.69 114.93 122.01 3i8v h MET 334 Ca 0.10 -0.53 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 3i8v h MET 334 Cb 0.43 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 3i8v h MET 334 CO 0.02 1.15 -0.23 -0.92 0.23 0.00 0.00 176.91 177.16 3i8v h TYR 335 N 0.41 -0.61 -0.40 1.39 3.20 -0.84 -0.24 116.97 119.88 3i8v h TYR 335 Ca -0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3i8v h TYR 335 Cb 1.41 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.89 3i8v h TYR 335 CO 0.07 -0.34 0.26 0.52 -1.64 0.00 0.00 178.16 177.03 3i8v h MET 336 N -0.51 0.54 -0.78 1.82 2.86 -1.15 0.35 114.93 118.06 3i8v h MET 336 Ca -0.01 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3i8v h MET 336 Cb 0.46 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 3i8v h MET 336 CO -0.04 0.37 0.50 0.82 1.06 0.00 0.00 176.91 179.63 3i8v h ILE 337 N 0.54 1.14 -0.63 -1.22 2.04 -0.81 0.19 117.51 118.75 3i8v h ILE 337 Ca 0.15 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 3i8v h ILE 337 Cb -0.04 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 3i8v h ILE 337 CO -0.03 0.18 0.03 -0.26 0.00 0.00 0.00 178.15 178.07 3i8v h PHE 338 N 0.99 1.18 -0.21 1.37 -1.00 -0.26 -1.94 116.94 117.07 3i8v h PHE 338 Ca 0.30 -0.19 -0.02 0.00 2.81 0.00 0.00 57.97 60.87 3i8v h PHE 338 Cb -0.03 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.21 3i8v h PHE 338 CO -0.03 1.02 0.04 1.96 -1.61 0.00 0.00 178.31 179.70 3i8v h GLN 339 N 1.00 0.35 -0.99 1.51 1.08 -0.66 -0.29 115.11 117.09 3i8v h GLN 339 Ca 0.18 -0.09 0.16 0.00 -1.45 0.00 0.00 58.65 57.45 3i8v h GLN 339 Cb 0.53 -0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 27.82 3i8v h GLN 339 CO 0.03 0.48 0.61 1.49 -0.95 0.00 0.00 178.83 180.48 3i8v h GLU 340 N 0.16 0.82 -0.37 1.46 4.57 -0.48 -1.78 114.58 118.97 3i8v h GLU 340 Ca 0.07 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3i8v h GLU 340 Cb 0.29 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3i8v h GLU 340 CO 0.00 0.54 0.00 0.54 -1.18 0.00 0.00 179.01 178.92 3i8v n ARG 341 N -4.72 2.46 -3.00 1.92 1.74 -0.74 -4.95 116.66 109.37 3i8v n ARG 341 Ca 0.21 -2.21 -0.22 0.00 -0.77 0.00 0.00 57.85 54.86 3i8v n ARG 341 Cb 0.47 -1.51 0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3i8v n ARG 341 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i8v n ASP 342 N 1.42 -6.12 0.15 0.55 2.03 -0.67 -4.90 116.55 109.02 3i8v n ASP 342 Ca 0.19 -0.28 0.03 0.00 0.52 0.00 0.00 54.79 55.25 3i8v n ASP 342 Cb 0.59 -4.95 0.14 0.00 -0.72 0.00 0.00 41.12 36.18 3i8v n ASP 342 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3i8v h LEU 343 N -1.33 0.00 -0.34 -2.67 3.38 -1.34 -1.86 115.31 111.15 3i8v h LEU 343 Ca -0.53 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 3i8v h LEU 343 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3i8v h LEU 343 CO 0.57 0.50 0.06 -0.07 0.09 0.00 0.00 178.44 179.59 3i8v h LEU 344 N 0.00 0.54 -0.24 1.67 3.38 -1.87 -1.86 115.31 116.93 3i8v h LEU 344 Ca -0.00 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 3i8v h LEU 344 Cb 1.23 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3i8v h LEU 344 CO 0.06 0.66 -0.30 0.11 0.09 0.00 0.00 178.44 179.06 3i8v h LYS 345 N 0.40 0.62 -0.20 1.13 1.57 -1.85 0.13 116.57 118.37 3i8v h LYS 345 Ca 0.10 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.55 3i8v h LYS 345 Cb 0.35 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3i8v h LYS 345 CO 0.01 0.96 0.13 0.87 -0.57 0.00 0.00 179.45 180.85 3i8v h LYS 346 N 0.32 0.20 0.00 3.15 1.57 -1.26 -2.97 116.57 117.58 3i8v h LYS 346 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3i8v h LYS 346 Cb 0.87 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3i8v h LYS 346 CO 0.07 0.13 -0.00 1.19 -0.57 0.00 0.00 179.45 180.27 3i8v n PHE 347 N -4.51 0.00 -3.97 -1.35 3.72 -0.71 -5.00 117.46 105.64 3i8v n PHE 347 Ca 0.00 -0.61 -0.29 0.00 -0.05 0.00 0.00 57.45 56.51 3i8v n PHE 347 Cb 0.13 -0.07 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3i8v n PHE 347 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3i8v n ARG 348 N -0.71 -4.05 -2.92 -1.08 1.74 0.04 -4.50 116.66 105.17 3i8v n ARG 348 Ca 0.04 0.48 -0.42 0.00 -0.77 0.00 0.00 57.85 57.17 3i8v n ARG 348 Cb 0.34 -5.00 -0.05 0.00 -1.02 0.00 0.00 32.46 26.73 3i8v n ARG 348 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i8v s ILE 349 N -3.59 4.66 0.36 0.55 1.01 0.24 -4.65 121.20 119.78 3i8v s ILE 349 Ca 0.35 0.81 -0.28 0.00 0.00 0.00 0.00 60.65 61.53 3i8v s ILE 349 Cb -0.18 -4.28 -0.11 0.00 0.01 0.00 0.00 42.46 37.90 3i8v s ILE 349 CO 0.87 -0.56 1.49 -2.84 0.00 0.00 0.00 174.94 173.91 3i8v s PRO 350 N 3.27 4.13 0.27 2.79 0.02 -1.26 -4.76 135.00 139.46 3i8v s PRO 350 Ca 0.33 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 63.88 3i8v s PRO 350 Cb -0.12 -2.98 0.37 0.00 0.02 0.00 0.00 34.50 31.78 3i8v s PRO 350 CO 0.20 -0.53 1.79 -0.24 -0.33 0.00 0.00 177.00 177.89 3i8v h VAL 351 N 3.04 1.23 -0.04 3.83 3.04 -1.95 -1.14 116.25 124.26 3i8v h VAL 351 Ca -0.50 -0.92 -0.17 0.00 -1.01 0.00 0.00 66.70 64.11 3i8v h VAL 351 Cb 1.24 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 3i8v h VAL 351 CO 0.67 0.33 -0.71 -2.24 -1.01 0.00 0.00 177.57 174.60 3i8v h ASP 352 N 0.75 0.25 -0.24 3.17 -0.00 -1.97 -1.61 116.42 116.78 3i8v h ASP 352 Ca 0.16 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.03 57.01 3i8v h ASP 352 Cb 0.38 -0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 39.63 3i8v h ASP 352 CO 0.01 0.88 0.12 0.74 -0.00 0.00 0.00 179.24 180.99 3i8v h THR 353 N 0.14 1.13 -0.27 1.15 2.02 -1.66 -0.22 112.91 115.20 3i8v h THR 353 Ca -0.02 -0.37 0.05 0.00 0.77 0.00 0.00 66.41 66.84 3i8v h THR 353 Cb 1.27 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 68.57 3i8v h THR 353 CO 0.11 0.13 -0.04 -0.03 0.37 0.00 0.00 175.52 176.06 3i8v h MET 354 N 0.26 0.03 -0.45 6.66 1.85 -0.94 -0.66 114.93 121.69 3i8v h MET 354 Ca 0.08 -0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 59.04 3i8v h MET 354 Cb 0.10 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 3i8v h MET 354 CO -0.01 0.02 -0.25 0.28 -0.40 0.00 0.00 176.91 176.55 3i8v h VAL 355 N 0.03 1.27 -0.35 -5.77 2.07 -1.22 -0.74 116.25 111.54 3i8v h VAL 355 Ca 0.13 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.25 3i8v h VAL 355 Cb 0.19 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3i8v h VAL 355 CO -0.26 0.48 0.22 0.74 0.02 0.00 0.00 177.57 178.78 3i8v h THR 356 N 0.81 1.11 -0.23 2.57 2.02 -0.86 -0.53 112.91 117.80 3i8v h THR 356 Ca 0.10 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3i8v h THR 356 Cb 0.82 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3i8v h THR 356 CO 0.07 0.10 0.08 0.22 0.37 0.00 0.00 175.52 176.36 3i8v h TYR 357 N 0.47 0.36 -1.01 3.16 3.20 -0.91 -1.89 116.97 120.34 3i8v h TYR 357 Ca 0.13 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.98 3i8v h TYR 357 Cb -0.03 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 3i8v h TYR 357 CO -0.05 0.40 0.67 0.52 -1.64 0.00 0.00 178.16 178.07 3i8v h MET 358 N 0.21 1.33 -0.35 1.82 2.86 -0.95 0.32 114.93 120.16 3i8v h MET 358 Ca 0.07 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3i8v h MET 358 Cb 0.20 -0.30 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3i8v h MET 358 CO -0.00 0.88 0.01 -0.07 1.06 0.00 0.00 176.91 178.78 3i8v h LEU 359 N 1.37 0.60 -0.11 1.22 3.38 -1.02 0.15 115.31 120.88 3i8v h LEU 359 Ca 0.37 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3i8v h LEU 359 Cb -0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3i8v h LEU 359 CO -0.08 0.75 0.01 0.74 0.09 0.00 0.00 178.44 179.95 3i8v h THR 360 N 0.42 0.93 0.08 0.22 2.02 -0.93 0.74 112.91 116.39 3i8v h THR 360 Ca 0.10 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.28 3i8v h THR 360 Cb 0.44 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3i8v h THR 360 CO 0.02 0.01 -0.19 0.25 0.37 0.00 0.00 175.52 175.98 3i8v h LEU 361 N 0.05 -0.53 -0.96 2.58 5.85 -0.28 -2.68 115.31 119.35 3i8v h LEU 361 Ca 0.05 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3i8v h LEU 361 Cb 0.05 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3i8v h LEU 361 CO -0.08 -0.26 0.62 -0.08 -0.34 0.00 0.00 178.44 178.30 3i8v h GLU 362 N -0.35 1.15 0.00 1.25 4.81 -0.78 -0.96 114.58 119.71 3i8v h GLU 362 Ca 0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3i8v h GLU 362 Cb 0.38 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3i8v h GLU 362 CO -0.12 0.76 0.00 -0.44 -0.73 0.00 0.00 179.01 178.48 3i8v h ASP 363 N 1.18 0.00 -0.36 1.04 3.45 -0.57 -2.18 116.42 118.98 3i8v h ASP 363 Ca 0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.85 3i8v h ASP 363 Cb 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 3i8v h ASP 363 CO -0.14 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 178.94 3i8v n HIS 364 N -2.62 0.46 -3.25 4.55 8.25 -0.37 -4.78 115.22 117.46 3i8v n HIS 364 Ca -0.01 -0.23 -0.37 0.00 -0.26 0.00 0.00 57.72 56.86 3i8v n HIS 364 Cb 0.13 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.18 3i8v n HIS 364 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3i8v s TYR 365 N -1.54 3.69 -0.18 4.41 1.51 -0.82 -0.56 117.35 123.86 3i8v s TYR 365 Ca 0.37 1.24 -0.19 0.00 -1.01 0.00 0.00 57.07 57.48 3i8v s TYR 365 Cb 0.22 -2.49 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 3i8v s TYR 365 CO 0.30 0.46 0.53 -1.01 -1.11 0.00 0.00 175.55 174.71 3i8v s HIS 366 N -1.36 3.41 0.36 2.71 3.76 -1.26 -4.82 115.29 118.10 3i8v s HIS 366 Ca 0.36 0.83 0.22 0.00 -0.15 0.00 0.00 55.06 56.33 3i8v s HIS 366 Cb -0.17 -2.66 1.16 0.00 1.11 0.00 0.00 32.58 32.02 3i8v s HIS 366 CO 0.20 -0.04 1.97 0.00 -0.85 0.00 0.00 174.74 176.02 3i8v h ALA 367 N 7.27 1.30 -0.01 -1.40 0.00 -1.93 -2.82 119.26 121.66 3i8v h ALA 367 Ca -0.35 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3i8v h ALA 367 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3i8v h ALA 367 CO 0.75 0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.85 3i8v n ASP 368 N -3.76 0.19 -4.71 0.00 5.68 -1.26 -4.73 116.55 107.95 3i8v n ASP 368 Ca -0.02 -1.28 -0.36 0.00 -0.50 0.00 0.00 54.79 52.63 3i8v n ASP 368 Cb 0.31 -0.01 -0.08 0.00 -1.14 0.00 0.00 41.12 40.20 3i8v n ASP 368 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3i8v s VAL 369 N -1.99 5.36 0.25 2.12 1.01 -1.06 -5.01 120.40 121.08 3i8v s VAL 369 Ca 0.36 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.71 3i8v s VAL 369 Cb 0.17 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3i8v s VAL 369 CO 0.28 0.39 1.57 0.00 0.00 0.00 0.00 175.10 177.35 3i8v h ALA 370 N 6.92 0.88 0.00 5.51 0.00 -1.86 -3.39 119.26 127.33 3i8v h ALA 370 Ca -0.40 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 53.85 3i8v h ALA 370 Cb 1.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3i8v h ALA 370 CO 0.73 0.76 -1.03 0.98 0.00 0.00 0.00 179.25 180.69 3i8v n TYR 371 N -3.83 0.00 -1.39 0.00 9.36 -1.26 -4.80 117.16 115.24 3i8v n TYR 371 Ca -0.02 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.81 3i8v n TYR 371 Cb 0.63 -0.28 -0.03 0.00 -0.63 0.00 0.00 39.34 39.03 3i8v n TYR 371 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3i8v n HIS 372 N -3.63 2.48 -4.03 2.98 8.25 -1.26 -4.29 115.22 115.72 3i8v n HIS 372 Ca -0.13 -3.07 -0.14 0.00 -0.26 0.00 0.00 57.72 54.12 3i8v n HIS 372 Cb 0.44 -2.44 -0.02 0.00 1.12 0.00 0.00 29.99 29.09 3i8v n HIS 372 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3i8v n ASN 373 N 3.51 2.26 0.27 0.41 0.23 -1.26 -4.43 115.26 116.24 3i8v n ASN 373 Ca 0.76 -1.98 0.14 0.00 -0.53 0.00 0.00 54.58 52.97 3i8v n ASN 373 Cb 0.24 0.08 0.74 0.00 -2.08 0.00 0.00 39.78 38.75 3i8v n ASN 373 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3i8v h SER 374 N 0.45 0.00 -0.97 0.53 4.64 -1.87 -2.14 113.55 114.19 3i8v h SER 374 Ca -0.18 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.15 3i8v h SER 374 Cb 0.60 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.65 3i8v h SER 374 CO 0.30 0.11 0.64 0.25 -0.87 0.00 0.00 176.83 177.26 3i8v h LEU 375 N 0.00 1.11 -0.34 5.97 5.85 -1.91 0.11 115.31 126.10 3i8v h LEU 375 Ca -0.00 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 3i8v h LEU 375 Cb 0.37 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3i8v h LEU 375 CO 0.01 0.80 0.07 -0.74 -0.34 0.00 0.00 178.44 178.24 3i8v h HIS 376 N 1.31 0.59 -0.17 1.25 2.76 -1.57 -0.89 115.15 118.43 3i8v h HIS 376 Ca 0.36 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.49 3i8v h HIS 376 Cb -0.15 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.61 3i8v h HIS 376 CO -0.00 0.61 -0.11 0.00 -1.30 0.00 0.00 177.93 177.13 3i8v h ALA 377 N 0.91 0.03 -0.50 5.26 0.00 -1.38 -0.72 119.26 122.85 3i8v h ALA 377 Ca 0.10 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3i8v h ALA 377 Cb 0.33 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3i8v h ALA 377 CO 0.00 -0.54 0.25 0.00 0.00 0.00 0.00 179.25 178.96 3i8v h ALA 378 N 1.03 0.64 -0.15 0.00 0.00 -0.63 -0.64 119.26 119.51 3i8v h ALA 378 Ca 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i8v h ALA 378 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i8v h ALA 378 CO -0.23 -0.10 0.09 0.22 0.00 0.00 0.00 179.25 179.22 3i8v h ASP 379 N 0.48 0.18 -0.64 0.00 3.58 -0.92 0.64 116.42 119.73 3i8v h ASP 379 Ca 0.22 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 3i8v h ASP 379 Cb 0.14 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 3i8v h ASP 379 CO -0.16 0.17 0.24 0.58 -2.88 0.00 0.00 179.24 177.19 3i8v h VAL 380 N 0.17 1.24 -0.09 2.25 2.07 -0.86 0.15 116.25 121.18 3i8v h VAL 380 Ca 0.05 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.81 3i8v h VAL 380 Cb 0.03 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3i8v h VAL 380 CO -0.01 0.30 0.03 0.25 0.02 0.00 0.00 177.57 178.16 3i8v h LEU 381 N 0.91 0.03 -0.55 2.57 5.85 -1.00 -0.30 115.31 122.82 3i8v h LEU 381 Ca 0.21 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 3i8v h LEU 381 Cb 0.23 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3i8v h LEU 381 CO -0.01 0.03 0.17 -0.61 -0.34 0.00 0.00 178.44 177.68 3i8v h GLN 382 N 0.07 0.86 -0.84 1.25 -0.00 -0.62 -0.54 115.11 115.28 3i8v h GLN 382 Ca 0.04 -0.18 -0.02 0.00 -0.00 0.00 0.00 58.65 58.48 3i8v h GLN 382 Cb 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 27.48 27.34 3i8v h GLN 382 CO -0.04 0.78 0.44 0.77 0.00 0.00 0.00 178.83 180.78 3i8v h SER 383 N 0.77 1.07 -0.70 -0.69 0.02 -0.61 -2.10 113.55 111.32 3i8v h SER 383 Ca 0.18 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3i8v h SER 383 Cb 0.28 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3i8v h SER 383 CO -0.01 0.88 0.41 0.74 -1.14 0.00 0.00 176.83 177.71 3i8v h THR 384 N 1.18 1.21 -0.42 -2.27 2.02 -0.66 -0.25 112.91 113.73 3i8v h THR 384 Ca 0.29 -0.49 0.08 0.00 0.77 0.00 0.00 66.41 67.06 3i8v h THR 384 Cb 0.06 0.26 -0.07 0.00 -1.74 0.00 0.00 68.15 66.67 3i8v h THR 384 CO -0.04 0.22 0.02 -0.74 0.37 0.00 0.00 175.52 175.35 3i8v h HIS 385 N 0.96 0.01 -0.21 3.16 6.17 -0.62 0.11 115.15 124.73 3i8v h HIS 385 Ca 0.25 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.33 3i8v h HIS 385 Cb 0.00 0.06 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 3i8v h HIS 385 CO -0.01 -0.07 0.04 0.28 0.71 0.00 0.00 177.93 178.88 3i8v h VAL 386 N 0.13 1.22 -0.41 5.26 2.07 -1.14 -3.02 116.25 120.37 3i8v h VAL 386 Ca 0.21 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 3i8v h VAL 386 Cb 0.29 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3i8v h VAL 386 CO -0.33 0.23 0.23 -0.07 0.02 0.00 0.00 177.57 177.65 3i8v h LEU 387 N 0.16 0.49 -1.70 2.57 3.38 -0.63 -0.60 115.31 118.98 3i8v h LEU 387 Ca 0.07 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3i8v h LEU 387 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3i8v h LEU 387 CO 0.00 0.40 -0.05 -0.07 0.09 0.00 0.00 178.44 178.81 3i8v h LEU 388 N 0.56 0.11 -0.09 1.67 3.38 -0.66 -2.55 115.31 117.73 3i8v h LEU 388 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3i8v h LEU 388 Cb 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i8v h LEU 388 CO -0.03 0.19 -0.04 0.00 0.09 0.00 0.00 178.44 178.65 3i8v n ALA 389 N -2.51 2.61 -1.63 1.53 0.00 -0.24 -4.81 120.51 115.45 3i8v n ALA 389 Ca -0.02 -0.20 -0.47 0.00 0.00 0.00 0.00 53.44 52.75 3i8v n ALA 389 Cb 0.17 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 3i8v n ALA 389 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i8v n THR 390 N -1.12 0.54 -0.26 0.00 5.66 -0.96 -4.85 114.28 113.28 3i8v n THR 390 Ca 0.16 -0.13 0.13 0.00 -3.05 0.00 0.00 64.05 61.15 3i8v n THR 390 Cb 0.24 -1.22 0.40 0.00 -1.55 0.00 0.00 70.33 68.20 3i8v n THR 390 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3i8v h PRO 391 N 4.48 0.63 0.00 1.09 0.11 -1.92 0.09 132.00 136.48 3i8v h PRO 391 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i8v h PRO 391 Cb 1.30 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i8v h PRO 391 CO 0.78 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.98 3i8v h ALA 392 N 1.60 1.00 -0.35 -0.75 0.00 -1.83 -2.21 119.26 116.72 3i8v h ALA 392 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3i8v h ALA 392 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3i8v h ALA 392 CO -0.20 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.33 3i8v n LEU 393 N -2.46 3.22 -4.68 0.00 4.77 0.01 -0.59 117.00 117.28 3i8v n LEU 393 Ca -0.01 -2.24 -0.48 0.00 -0.03 0.00 0.00 56.01 53.26 3i8v n LEU 393 Cb 0.11 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.84 3i8v n LEU 393 CO 0.15 0.73 1.42 -0.67 -1.33 0.00 0.00 177.39 177.69 3i8v n ASP 394 N 0.33 3.37 -0.31 -1.43 -0.08 -0.83 -1.86 116.55 115.74 3i8v n ASP 394 Ca 0.14 1.00 -0.04 0.00 -1.51 0.00 0.00 54.79 54.38 3i8v n ASP 394 Cb 0.55 -1.39 -0.02 0.00 2.34 0.00 0.00 41.12 42.60 3i8v n ASP 394 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i8v n ALA 395 N 5.83 -0.06 -0.04 -1.67 0.00 -1.26 -4.88 120.51 118.43 3i8v n ALA 395 Ca 0.21 0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.57 3i8v n ALA 395 Cb 0.30 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 3i8v n ALA 395 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i8v h VAL 396 N 0.00 1.63 -3.16 0.00 2.07 -1.72 -3.46 116.25 111.61 3i8v h VAL 396 Ca -0.08 -2.09 -0.58 0.00 0.82 0.00 0.00 66.70 64.76 3i8v h VAL 396 Cb 0.72 3.01 -0.04 0.00 -1.52 0.00 0.00 31.29 33.46 3i8v h VAL 396 CO 0.12 0.56 -0.21 -0.36 0.02 0.00 0.00 177.57 177.70 3i8v s PHE 397 N -2.80 3.58 0.77 1.57 0.08 -1.26 -5.03 117.98 114.89 3i8v s PHE 397 Ca -0.17 0.84 -0.11 0.00 0.12 0.00 0.00 56.93 57.60 3i8v s PHE 397 Cb -0.01 -2.20 0.05 0.00 -0.57 0.00 0.00 43.02 40.30 3i8v s PHE 397 CO 0.72 0.49 1.09 0.95 -0.10 0.00 0.00 175.22 178.38 3i8v s THR 398 N -1.42 3.23 0.50 0.64 -4.23 -1.26 -4.88 115.64 108.21 3i8v s THR 398 Ca 0.34 0.40 0.21 0.00 -1.18 0.00 0.00 61.69 61.46 3i8v s THR 398 Cb -0.14 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.78 3i8v s THR 398 CO 0.18 -0.52 2.12 0.44 -0.54 0.00 0.00 174.62 176.30 3i8v h ASP 399 N -0.98 0.00 -0.21 3.99 3.32 -1.98 -1.49 116.42 119.07 3i8v h ASP 399 Ca -0.46 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.40 3i8v h ASP 399 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3i8v h ASP 399 CO 0.60 0.07 -0.59 0.25 -1.72 0.00 0.00 179.24 177.85 3i8v h LEU 400 N 0.00 0.88 -0.87 1.55 5.85 -1.98 0.78 115.31 121.52 3i8v h LEU 400 Ca -0.00 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.06 3i8v h LEU 400 Cb 0.15 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3i8v h LEU 400 CO 0.01 1.31 0.03 -0.33 -0.34 0.00 0.00 178.44 179.12 3i8v h GLU 401 N 0.50 0.87 -0.20 1.25 5.08 -1.84 0.01 114.58 120.25 3i8v h GLU 401 Ca -0.02 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3i8v h GLU 401 Cb 1.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3i8v h GLU 401 CO 0.13 0.85 -0.04 0.82 -1.00 0.00 0.00 179.01 179.76 3i8v h ILE 402 N 0.81 1.28 -0.37 3.13 2.04 -1.19 -1.31 117.51 121.91 3i8v h ILE 402 Ca 0.16 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.07 3i8v h ILE 402 Cb 0.44 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 3i8v h ILE 402 CO 0.02 0.31 0.03 0.25 0.00 0.00 0.00 178.15 178.76 3i8v h LEU 403 N 0.10 -0.08 -0.16 1.44 5.85 -0.62 -1.57 115.31 120.26 3i8v h LEU 403 Ca 0.05 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3i8v h LEU 403 Cb 0.49 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3i8v h LEU 403 CO 0.02 -0.00 -0.08 0.00 -0.34 0.00 0.00 178.44 178.03 3i8v h ALA 404 N 1.30 0.06 -0.41 1.25 0.00 -0.86 -1.51 119.26 119.09 3i8v h ALA 404 Ca 0.18 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3i8v h ALA 404 Cb 0.23 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3i8v h ALA 404 CO -0.27 -0.52 0.17 0.00 0.00 0.00 0.00 179.25 178.63 3i8v h ALA 405 N 1.08 0.49 -0.46 0.00 0.00 -0.91 0.58 119.26 120.03 3i8v h ALA 405 Ca 0.09 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3i8v h ALA 405 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3i8v h ALA 405 CO -0.21 -0.21 -0.21 -0.07 0.00 0.00 0.00 179.25 178.55 3i8v h LEU 406 N 0.34 0.96 -0.36 0.00 3.38 -1.18 -1.57 115.31 116.87 3i8v h LEU 406 Ca 0.18 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3i8v h LEU 406 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3i8v h LEU 406 CO -0.17 1.13 -0.09 0.15 0.09 0.00 0.00 178.44 179.55 3i8v h PHE 407 N 0.81 0.80 -0.29 1.13 3.57 -1.09 -1.75 116.94 120.12 3i8v h PHE 407 Ca 0.11 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.49 3i8v h PHE 407 Cb 0.76 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 3i8v h PHE 407 CO 0.05 0.86 -0.04 0.00 -2.23 0.00 0.00 178.31 176.95 3i8v h ALA 408 N 0.82 0.23 -0.78 2.41 0.00 -0.79 -1.96 119.26 119.19 3i8v h ALA 408 Ca 0.09 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3i8v h ALA 408 Cb 0.61 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3i8v h ALA 408 CO 0.04 -0.44 0.45 0.00 0.00 0.00 0.00 179.25 179.30 3i8v h ALA 409 N 1.27 0.99 -0.51 0.00 0.00 -1.18 -1.01 119.26 118.82 3i8v h ALA 409 Ca 0.14 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3i8v h ALA 409 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3i8v h ALA 409 CO -0.27 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.43 3i8v h ALA 410 N 1.24 0.97 -0.00 0.00 0.00 -0.99 -3.20 119.26 117.27 3i8v h ALA 410 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i8v h ALA 410 Cb -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3i8v h ALA 410 CO -0.05 0.62 -0.54 0.44 0.00 0.00 0.00 179.25 179.72 3i8v n ILE 411 N -4.18 0.00 0.32 0.00 -5.35 -0.77 -4.68 119.36 104.70 3i8v n ILE 411 Ca 0.02 -0.06 0.19 0.00 -0.27 0.00 0.00 62.75 62.64 3i8v n ILE 411 Cb 0.34 0.55 1.02 0.00 -1.74 0.00 0.00 39.64 39.81 3i8v n ILE 411 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3i8v h HIS 412 N 0.55 0.00 0.00 4.28 2.07 -1.18 -0.67 115.15 120.21 3i8v h HIS 412 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3i8v h HIS 412 Cb 0.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 3i8v h HIS 412 CO 0.00 0.00 -0.19 -0.25 -3.07 0.00 0.00 177.93 174.42 3i8v n ASP 413 N -2.91 1.39 -4.76 3.10 8.00 -1.26 -4.88 116.55 115.24 3i8v n ASP 413 Ca -0.02 -2.58 -0.41 0.00 0.71 0.00 0.00 54.79 52.49 3i8v n ASP 413 Cb 0.16 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 3i8v n ASP 413 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3i8v n VAL 414 N -0.82 2.22 -2.56 2.53 3.14 -0.26 -2.13 118.33 120.45 3i8v n VAL 414 Ca 0.09 -0.50 -0.21 0.00 -2.96 0.00 0.00 64.34 60.76 3i8v n VAL 414 Cb 0.64 -1.87 0.00 0.00 -1.06 0.00 0.00 33.84 31.55 3i8v n VAL 414 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3i8v n ASP 415 N 0.32 -5.88 -4.71 6.55 2.03 0.27 -4.40 116.55 110.74 3i8v n ASP 415 Ca 0.03 -0.09 -0.42 0.00 0.52 0.00 0.00 54.79 54.83 3i8v n ASP 415 Cb 0.39 -4.84 -0.03 0.00 -0.72 0.00 0.00 41.12 35.92 3i8v n ASP 415 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3i8v s HIS 416 N -3.06 3.10 -2.12 -0.67 2.46 -0.91 -4.91 115.29 109.19 3i8v s HIS 416 Ca 0.08 0.88 0.29 0.00 0.47 0.00 0.00 55.06 56.77 3i8v s HIS 416 Cb -0.04 -3.70 1.20 0.00 -0.13 0.00 0.00 32.58 29.92 3i8v s HIS 416 CO 0.10 -2.51 1.83 -0.35 -2.47 0.00 0.00 174.74 171.35 3i8v n PRO 417 N 4.39 1.21 -0.70 2.88 -0.04 -1.26 -4.56 135.00 136.91 3i8v n PRO 417 Ca 0.12 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 3i8v n PRO 417 Cb 0.42 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3i8v n PRO 417 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8v n GLY 418 N 1.19 0.60 3.18 0.55 0.00 -1.26 -4.98 105.19 104.47 3i8v n GLY 418 Ca 0.18 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 3i8v n GLY 418 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8v s VAL 419 N -2.00 1.03 0.82 1.61 -7.23 -1.26 -4.69 120.40 108.68 3i8v s VAL 419 Ca 0.00 -1.59 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 3i8v s VAL 419 Cb 0.00 -1.33 0.08 0.00 0.56 0.00 0.00 36.38 35.70 3i8v s VAL 419 CO 0.00 -0.48 1.11 -0.94 -0.31 0.00 0.00 175.10 174.48 3i8v s SER 420 N -2.32 4.28 0.24 4.85 1.04 -1.26 -4.91 113.70 115.62 3i8v s SER 420 Ca 0.05 1.22 -0.07 0.00 0.48 0.00 0.00 55.95 57.62 3i8v s SER 420 Cb -0.05 -1.91 0.41 0.00 0.10 0.00 0.00 66.02 64.57 3i8v s SER 420 CO 0.01 -2.09 1.65 0.78 0.98 0.00 0.00 173.24 174.57 3i8v h ASN 421 N -1.17 -0.26 -0.91 7.02 2.35 -2.01 -2.60 115.58 117.99 3i8v h ASN 421 Ca -0.48 0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.50 3i8v h ASN 421 Cb 1.28 0.30 -0.06 0.00 0.05 0.00 0.00 38.32 39.89 3i8v h ASN 421 CO 0.60 -0.14 0.58 -0.61 -1.65 0.00 0.00 177.43 176.21 3i8v h GLN 422 N 0.13 1.05 -0.56 0.81 5.75 -1.97 0.12 115.11 120.45 3i8v h GLN 422 Ca 0.39 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.86 3i8v h GLN 422 Cb 0.68 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 3i8v h GLN 422 CO -0.60 0.70 0.33 0.35 -2.65 0.00 0.00 178.83 176.96 3i8v h PHE 423 N 1.09 0.62 -0.70 3.99 3.04 -1.84 0.19 116.94 123.33 3i8v h PHE 423 Ca 0.38 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.28 3i8v h PHE 423 Cb 0.11 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.39 3i8v h PHE 423 CO -0.02 0.35 0.17 -0.07 -2.02 0.00 0.00 178.31 176.72 3i8v h LEU 424 N 0.66 1.07 -0.20 0.59 3.38 -1.00 -2.01 115.31 117.80 3i8v h LEU 424 Ca 0.23 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3i8v h LEU 424 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3i8v h LEU 424 CO -0.11 1.02 0.08 0.40 0.09 0.00 0.00 178.44 179.92 3i8v h ILE 425 N 1.06 1.17 0.00 1.22 2.04 -0.64 -2.08 117.51 120.27 3i8v h ILE 425 Ca 0.22 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 3i8v h ILE 425 Cb 0.37 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3i8v h ILE 425 CO 0.00 0.17 -0.15 0.78 0.00 0.00 0.00 178.15 178.94 3i8v h ASN 426 N 0.17 0.00 0.09 1.72 2.35 -0.47 -2.33 115.58 117.11 3i8v h ASN 426 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3i8v h ASN 426 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3i8v h ASN 426 CO -0.00 0.15 -0.13 0.35 -1.65 0.00 0.00 177.43 176.15 3i8v n THR 427 N -3.40 0.00 -3.14 2.81 -2.24 -0.77 -4.94 114.28 102.60 3i8v n THR 427 Ca -0.00 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 3i8v n THR 427 Cb 0.35 0.54 0.05 0.00 -2.10 0.00 0.00 70.33 69.16 3i8v n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i8v n ASN 428 N -0.12 -6.00 -4.76 3.42 2.85 -0.88 -4.95 115.26 104.82 3i8v n ASN 428 Ca 0.15 -0.34 -0.32 0.00 -0.11 0.00 0.00 54.58 53.97 3i8v n ASN 428 Cb 0.37 -4.76 0.09 0.00 1.24 0.00 0.00 39.78 36.71 3i8v n ASN 428 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3i8v s SER 429 N -2.89 4.51 0.33 1.20 1.04 -0.80 -4.82 113.70 112.27 3i8v s SER 429 Ca 0.37 1.91 0.07 0.00 0.48 0.00 0.00 55.95 58.77 3i8v s SER 429 Cb -0.16 -2.53 0.74 0.00 0.10 0.00 0.00 66.02 64.16 3i8v s SER 429 CO 0.45 -2.04 1.86 -0.08 0.98 0.00 0.00 173.24 174.42 3i8v h GLU 430 N -0.90 0.76 -0.41 4.02 4.81 -1.92 -1.76 114.58 119.17 3i8v h GLU 430 Ca -0.44 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.62 3i8v h GLU 430 Cb 1.24 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3i8v h GLU 430 CO 0.51 0.50 -0.20 -0.07 -0.73 0.00 0.00 179.01 179.02 3i8v h LEU 431 N 0.78 0.90 -0.75 1.64 3.38 -1.93 0.14 115.31 119.47 3i8v h LEU 431 Ca 0.46 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3i8v h LEU 431 Cb 0.64 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3i8v h LEU 431 CO -0.22 1.10 0.23 0.00 0.09 0.00 0.00 178.44 179.64 3i8v h ALA 432 N 0.82 0.98 -0.47 1.53 0.00 -1.61 -2.25 119.26 118.26 3i8v h ALA 432 Ca 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i8v h ALA 432 Cb 0.77 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3i8v h ALA 432 CO 0.06 0.67 0.24 -0.07 0.00 0.00 0.00 179.25 180.15 3i8v h LEU 433 N 1.11 0.60 -0.93 0.00 3.38 -1.20 -0.84 115.31 117.43 3i8v h LEU 433 Ca 0.24 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3i8v h LEU 433 Cb 0.31 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3i8v h LEU 433 CO -0.01 0.54 0.59 -0.03 0.09 0.00 0.00 178.44 179.62 3i8v h MET 434 N 0.61 1.05 -0.46 1.13 4.05 -0.65 -2.96 114.93 117.70 3i8v h MET 434 Ca 0.16 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.44 3i8v h MET 434 Cb 0.09 -0.24 -0.05 0.00 -0.80 0.00 0.00 31.60 30.60 3i8v h MET 434 CO -0.02 0.69 0.07 0.66 0.23 0.00 0.00 176.91 178.53 3i8v n TYR 435 N -4.56 1.58 -2.63 1.39 4.01 -0.87 -4.96 117.16 111.11 3i8v n TYR 435 Ca 0.14 -1.03 -0.16 0.00 -0.16 0.00 0.00 57.90 56.69 3i8v n TYR 435 Cb 0.18 -0.47 -0.00 0.00 -0.31 0.00 0.00 39.34 38.73 3i8v n TYR 435 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i8v n ASN 436 N -0.29 -4.36 0.00 7.72 3.02 -0.77 -0.90 115.26 119.68 3i8v n ASN 436 Ca 0.29 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 3i8v n ASN 436 Cb 1.10 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 3i8v n ASN 436 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3i8v n ASP 437 N -1.98 -1.80 -4.50 6.41 8.00 -0.39 -4.96 116.55 117.33 3i8v n ASP 437 Ca -0.14 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 54.99 3i8v n ASP 437 Cb 0.61 -1.67 -0.12 0.00 -0.02 0.00 0.00 41.12 39.92 3i8v n ASP 437 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i8v s GLU 438 N -0.76 3.77 -1.31 -1.24 0.41 -0.08 -4.51 118.70 114.98 3i8v s GLU 438 Ca 0.00 -0.42 -0.17 0.00 -0.41 0.00 0.00 54.97 53.97 3i8v s GLU 438 Cb 0.00 -3.43 0.02 0.00 -1.78 0.00 0.00 34.13 28.94 3i8v s GLU 438 CO 0.00 -0.17 0.32 0.43 -0.49 0.00 0.00 175.26 175.35 3i8v n SER 439 N 4.92 -1.44 0.10 -0.19 7.64 -1.26 -4.82 113.62 118.58 3i8v n SER 439 Ca -0.15 -1.22 -0.13 0.00 1.01 0.00 0.00 58.87 58.37 3i8v n SER 439 Cb 0.52 -1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 62.17 3i8v n SER 439 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3i8v h VAL 440 N -1.99 0.32 -0.48 0.44 2.07 -1.87 -1.33 116.25 113.42 3i8v h VAL 440 Ca -0.65 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3i8v h VAL 440 Cb 1.32 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3i8v h VAL 440 CO 0.58 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 178.16 3i8v h LEU 441 N -0.53 0.77 -0.57 2.57 3.38 -1.94 -2.13 115.31 116.87 3i8v h LEU 441 Ca 0.04 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3i8v h LEU 441 Cb 0.57 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3i8v h LEU 441 CO -0.20 0.85 0.15 -0.33 0.09 0.00 0.00 178.44 179.00 3i8v h GLU 442 N 0.67 0.90 -0.69 1.13 3.07 -1.86 0.28 114.58 118.08 3i8v h GLU 442 Ca 0.14 -0.21 0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3i8v h GLU 442 Cb 0.41 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.15 3i8v h GLU 442 CO 0.01 0.83 0.41 -0.91 -1.40 0.00 0.00 179.01 177.96 3i8v h ASN 443 N 0.81 0.65 -0.54 1.42 2.35 -1.22 -2.68 115.58 116.36 3i8v h ASN 443 Ca 0.18 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 3i8v h ASN 443 Cb 0.33 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3i8v h ASN 443 CO -0.00 0.44 -0.03 -0.74 -1.65 0.00 0.00 177.43 175.44 3i8v h HIS 444 N 0.79 1.08 -0.57 1.19 2.76 -0.54 -2.12 115.15 117.74 3i8v h HIS 444 Ca 0.29 -0.20 0.03 0.00 -2.20 0.00 0.00 60.37 58.30 3i8v h HIS 444 Cb 0.10 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.74 3i8v h HIS 444 CO -0.06 0.99 0.33 0.45 -1.30 0.00 0.00 177.93 178.35 3i8v h HIS 445 N 0.86 0.62 -0.26 5.26 3.86 -0.36 0.08 115.15 125.22 3i8v h HIS 445 Ca 0.15 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3i8v h HIS 445 Cb 0.58 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 3i8v h HIS 445 CO 0.04 0.33 0.12 -0.07 0.86 0.00 0.00 177.93 179.22 3i8v h LEU 446 N 0.65 0.17 -0.62 2.43 3.38 -1.40 0.88 115.31 120.81 3i8v h LEU 446 Ca 0.24 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 3i8v h LEU 446 Cb 0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3i8v h LEU 446 CO -0.12 0.13 0.17 0.00 0.09 0.00 0.00 178.44 178.72 3i8v h ALA 447 N 1.14 0.81 -0.07 1.53 0.00 -0.88 -1.96 119.26 119.83 3i8v h ALA 447 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i8v h ALA 447 Cb 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3i8v h ALA 447 CO -0.08 0.50 -0.01 0.28 0.00 0.00 0.00 179.25 179.94 3i8v h VAL 448 N 0.89 1.28 -0.41 0.00 2.07 -0.86 -0.95 116.25 118.26 3i8v h VAL 448 Ca 0.20 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.91 3i8v h VAL 448 Cb 0.32 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 3i8v h VAL 448 CO -0.00 0.24 -0.06 1.23 0.02 0.00 0.00 177.57 179.00 3i8v h GLY 449 N -0.19 0.35 1.44 2.17 0.00 -0.68 -1.05 103.07 105.11 3i8v h GLY 449 Ca 0.02 0.10 -0.19 0.00 0.00 0.00 0.00 47.33 47.26 3i8v h GLY 449 CO 0.01 -0.14 -0.72 0.74 0.00 0.00 0.00 176.54 176.42 3i8v h PHE 450 N 0.04 0.74 -0.46 5.60 0.04 -1.40 -3.25 116.94 118.25 3i8v h PHE 450 Ca 0.20 -0.32 -0.04 0.00 2.80 0.00 0.00 57.97 60.62 3i8v h PHE 450 Cb 0.30 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3i8v h PHE 450 CO -0.33 1.10 0.13 -0.22 -0.60 0.00 0.00 178.31 178.39 3i8v h LYS 451 N 0.38 0.68 0.00 1.51 1.63 -0.86 -2.11 116.57 117.81 3i8v h LYS 451 Ca -0.03 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 3i8v h LYS 451 Cb 1.31 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3i8v h LYS 451 CO 0.13 0.60 0.00 -0.07 -3.45 0.00 0.00 179.45 176.67 3i8v h LEU 452 N 0.67 0.00 -2.67 5.20 3.38 -1.23 -1.38 115.31 119.28 3i8v h LEU 452 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3i8v h LEU 452 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3i8v h LEU 452 CO -0.01 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.44 3i8v h LEU 453 N 0.00 0.00 -0.12 1.67 3.38 -1.49 -2.80 115.31 115.96 3i8v h LEU 453 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i8v h LEU 453 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i8v h LEU 453 CO 0.00 0.01 -0.42 0.00 0.09 0.00 0.00 178.44 178.12 3i8v n GLN 454 N -3.28 0.21 -1.30 1.13 6.02 -0.52 -2.35 117.38 117.30 3i8v n GLN 454 Ca -0.03 -0.12 -0.29 0.00 -0.01 0.00 0.00 57.00 56.55 3i8v n GLN 454 Cb 0.11 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.01 3i8v n GLN 454 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3i8v s GLU 455 N -2.87 1.26 -0.02 -1.09 2.02 -1.06 -4.87 118.70 112.07 3i8v s GLU 455 Ca 0.15 0.68 -0.32 0.00 0.02 0.00 0.00 54.97 55.49 3i8v s GLU 455 Cb 0.18 -1.82 -0.11 0.00 0.10 0.00 0.00 34.13 32.48 3i8v s GLU 455 CO 0.65 -2.21 1.92 -3.47 0.02 0.00 0.00 175.26 172.17 3i8v n ASP 456 N -3.84 3.80 -3.50 -0.19 4.64 -1.26 -2.37 116.55 113.83 3i8v n ASP 456 Ca 0.07 0.94 -0.20 0.00 -1.38 0.00 0.00 54.79 54.22 3i8v n ASP 456 Cb 0.56 -1.45 0.09 0.00 -1.04 0.00 0.00 41.12 39.28 3i8v n ASP 456 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3i8v n ASN 457 N 6.92 -3.86 0.00 1.67 4.05 -1.26 -4.94 115.26 117.84 3i8v n ASN 457 Ca 0.21 -0.59 0.00 0.00 0.45 0.00 0.00 54.58 54.65 3i8v n ASN 457 Cb 0.35 -5.08 0.00 0.00 1.23 0.00 0.00 39.78 36.28 3i8v n ASN 457 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i8v s ASP 459 N -0.16 6.74 0.42 0.00 2.15 -0.99 -4.50 116.67 120.34 3i8v s ASP 459 Ca 0.00 -2.18 0.29 0.00 0.43 0.00 0.00 52.55 51.09 3i8v s ASP 459 Cb 0.00 -2.51 1.38 0.00 -0.30 0.00 0.00 42.92 41.50 3i8v s ASP 459 CO 0.00 -1.17 1.89 0.16 -0.17 0.00 0.00 175.17 175.88 3i8v h ILE 460 N 5.81 0.00 -0.61 4.11 3.07 -1.86 -2.43 117.51 125.60 3i8v h ILE 460 Ca 0.29 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.50 3i8v h ILE 460 Cb 0.94 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 3i8v h ILE 460 CO 1.34 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.93 3i8v n PHE 461 N -2.60 1.24 -0.02 0.16 3.72 -1.26 -4.59 117.46 114.10 3i8v n PHE 461 Ca -0.00 -0.52 0.12 0.00 -0.05 0.00 0.00 57.45 57.01 3i8v n PHE 461 Cb 0.17 -0.17 0.54 0.00 -0.94 0.00 0.00 39.48 39.08 3i8v n PHE 461 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3i8v h GLN 462 N 3.76 0.29 -0.21 -1.08 3.07 -1.81 -2.24 115.11 116.90 3i8v h GLN 462 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 3i8v h GLN 462 Cb 1.23 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.72 3i8v h GLN 462 CO 0.16 0.19 0.00 0.09 0.09 0.00 0.00 178.83 179.37 3i8v n ASN 463 N -4.46 2.99 -4.78 0.06 3.02 -1.26 -4.90 115.26 105.93 3i8v n ASN 463 Ca 0.08 -1.94 -0.37 0.00 -0.03 0.00 0.00 54.58 52.32 3i8v n ASN 463 Cb 0.36 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 3i8v n ASN 463 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i8v s LEU 464 N -1.72 4.07 0.97 3.41 1.02 -0.84 -4.94 118.68 120.65 3i8v s LEU 464 Ca 0.34 2.18 -0.12 0.00 0.02 0.00 0.00 54.13 56.56 3i8v s LEU 464 Cb 0.21 -4.22 0.17 0.00 0.02 0.00 0.00 46.19 42.38 3i8v s LEU 464 CO 0.31 -0.72 1.09 -0.94 0.02 0.00 0.00 176.35 176.11 3i8v s SER 465 N -1.46 2.73 0.12 2.29 1.04 -1.26 -4.80 113.70 112.36 3i8v s SER 465 Ca 0.61 1.61 -0.30 0.00 0.48 0.00 0.00 55.95 58.35 3i8v s SER 465 Cb -0.25 -2.26 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 3i8v s SER 465 CO 0.31 -3.12 1.58 0.50 0.98 0.00 0.00 173.24 173.49 3i8v h LYS 466 N -1.88 -0.54 -0.97 4.02 1.63 -1.97 -1.41 116.57 115.44 3i8v h LYS 466 Ca -0.51 0.04 0.18 0.00 -0.85 0.00 0.00 60.65 59.50 3i8v h LYS 466 Cb 1.29 0.12 -0.09 0.00 -0.60 0.00 0.00 32.23 32.96 3i8v h LYS 466 CO 0.51 -0.36 0.61 0.00 -3.45 0.00 0.00 179.45 176.76 3i8v h ARG 467 N -0.56 0.66 -0.02 1.90 3.08 -1.99 -0.70 114.38 116.75 3i8v h ARG 467 Ca 0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i8v h ARG 467 Cb 0.66 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3i8v h ARG 467 CO -0.36 0.44 0.00 1.96 -1.07 0.00 0.00 179.97 180.94 3i8v h GLN 468 N 0.68 0.04 -0.82 0.04 4.20 -1.82 -1.35 115.11 116.07 3i8v h GLN 468 Ca 0.53 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.26 3i8v h GLN 468 Cb 0.92 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.64 3i8v h GLN 468 CO -0.29 0.33 0.52 0.00 -0.67 0.00 0.00 178.83 178.72 3i8v h ARG 469 N -0.26 0.96 -0.35 1.46 3.08 -0.74 -0.96 114.38 117.57 3i8v h ARG 469 Ca 0.01 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3i8v h ARG 469 Cb 0.31 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3i8v h ARG 469 CO 0.00 0.64 -0.23 1.96 -1.07 0.00 0.00 179.97 181.27 3i8v h GLN 470 N 0.99 0.78 -0.30 0.04 4.20 -1.09 -1.27 115.11 118.46 3i8v h GLN 470 Ca 0.34 -0.37 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3i8v h GLN 470 Cb 0.06 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3i8v h GLN 470 CO -0.13 0.99 -0.04 1.03 -0.67 0.00 0.00 178.83 180.01 3i8v h SER 471 N 0.57 0.55 -0.11 1.46 0.87 -1.08 -1.86 113.55 113.93 3i8v h SER 471 Ca 0.07 -0.34 0.02 0.00 -1.23 0.00 0.00 61.79 60.31 3i8v h SER 471 Cb 0.79 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 3i8v h SER 471 CO 0.06 0.76 -0.02 0.25 -0.53 0.00 0.00 176.83 177.35 3i8v h LEU 472 N 0.32 -0.09 -0.60 2.23 7.12 -1.17 -1.80 115.31 121.32 3i8v h LEU 472 Ca 0.08 0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.15 3i8v h LEU 472 Cb 0.50 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 3i8v h LEU 472 CO 0.02 -0.03 0.36 -0.09 -0.13 0.00 0.00 178.44 178.57 3i8v h ARG 473 N 0.01 0.68 -0.56 1.25 2.43 -1.16 0.18 114.38 117.20 3i8v h ARG 473 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3i8v h ARG 473 Cb 0.08 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3i8v h ARG 473 CO -0.11 0.45 0.30 -0.22 -1.51 0.00 0.00 179.97 178.87 3i8v h LYS 474 N 0.70 0.80 -0.35 0.20 3.64 -1.22 -0.86 116.57 119.47 3i8v h LYS 474 Ca 0.25 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3i8v h LYS 474 Cb 0.06 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3i8v h LYS 474 CO -0.12 0.63 0.01 0.52 -2.27 0.00 0.00 179.45 178.22 3i8v h MET 475 N 0.76 0.61 -0.53 1.90 2.86 -0.52 -2.40 114.93 117.61 3i8v h MET 475 Ca 0.20 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3i8v h MET 475 Cb 0.07 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3i8v h MET 475 CO -0.03 0.72 0.24 0.28 1.06 0.00 0.00 176.91 179.18 3i8v h VAL 476 N 0.43 1.21 -0.60 -2.22 2.07 -0.49 -0.98 116.25 115.66 3i8v h VAL 476 Ca 0.10 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.05 3i8v h VAL 476 Cb 0.43 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3i8v h VAL 476 CO 0.02 0.24 0.37 0.40 0.02 0.00 0.00 177.57 178.61 3i8v h ILE 477 N 0.72 1.06 -0.04 4.57 2.04 -1.12 -0.23 117.51 124.52 3i8v h ILE 477 Ca 0.18 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3i8v h ILE 477 Cb 0.15 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3i8v h ILE 477 CO -0.02 0.13 0.02 -0.78 0.00 0.00 0.00 178.15 177.50 3i8v h ASP 478 N 0.72 0.05 -0.37 1.72 1.82 -1.11 -1.86 116.42 117.39 3i8v h ASP 478 Ca 0.24 -0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 3i8v h ASP 478 Cb 0.03 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.01 3i8v h ASP 478 CO -0.11 0.12 0.12 0.24 -1.61 0.00 0.00 179.24 178.00 3i8v h MET 479 N -0.03 0.57 -0.38 0.28 2.86 -0.85 -2.62 114.93 114.76 3i8v h MET 479 Ca 0.01 -0.12 -0.15 0.00 -2.06 0.00 0.00 59.70 57.39 3i8v h MET 479 Cb 0.08 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3i8v h MET 479 CO -0.00 0.58 -0.34 0.28 1.06 0.00 0.00 176.91 178.49 3i8v h VAL 480 N 0.45 1.28 -0.30 -2.22 2.07 -1.00 -2.86 116.25 113.67 3i8v h VAL 480 Ca 0.12 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 3i8v h VAL 480 Cb 0.25 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3i8v h VAL 480 CO -0.00 0.50 0.04 -0.07 0.02 0.00 0.00 177.57 178.06 3i8v h LEU 481 N 0.73 0.40 0.00 2.57 3.38 -1.34 -1.32 115.31 119.73 3i8v h LEU 481 Ca 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i8v h LEU 481 Cb 0.91 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3i8v h LEU 481 CO 0.08 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.05 3i8v n ALA 482 N -2.48 1.74 1.08 1.53 0.00 -0.99 -2.74 120.51 118.65 3i8v n ALA 482 Ca 0.01 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.53 3i8v n ALA 482 Cb 0.20 -1.25 0.60 0.00 0.00 0.00 0.00 19.45 19.00 3i8v n ALA 482 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i8v n THR 483 N -1.45 0.00 -1.91 0.00 -2.24 -0.50 -4.78 114.28 103.40 3i8v n THR 483 Ca 0.05 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 3i8v n THR 483 Cb 0.16 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 3i8v n THR 483 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i8v s ASP 484 N -2.91 6.04 0.56 3.42 -1.08 -1.11 -4.90 116.67 116.69 3i8v s ASP 484 Ca 0.17 1.73 0.27 0.00 -0.52 0.00 0.00 52.55 54.20 3i8v s ASP 484 Cb 0.19 -2.53 1.47 0.00 -1.46 0.00 0.00 42.92 40.60 3i8v s ASP 484 CO 0.54 -1.52 1.98 0.24 0.52 0.00 0.00 175.17 176.93 3i8v h MET 485 N 12.29 0.00 0.00 4.34 2.86 -1.92 0.73 114.93 133.23 3i8v h MET 485 Ca -0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3i8v h MET 485 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3i8v h MET 485 CO 0.99 0.00 0.00 0.66 1.06 0.00 0.00 176.91 179.62 3i8v h SER 486 N 0.00 0.00 0.06 1.22 4.64 -1.97 -1.00 113.55 116.49 3i8v h SER 486 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3i8v h SER 486 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3i8v h SER 486 CO -0.00 0.00 -0.07 0.29 -0.87 0.00 0.00 176.83 176.18 3i8v n LYS 487 N -2.98 1.44 0.04 4.77 4.76 0.25 -4.59 118.16 121.85 3i8v n LYS 487 Ca -0.02 -0.85 -0.11 0.00 -2.87 0.00 0.00 58.31 54.47 3i8v n LYS 487 Cb 0.13 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.80 3i8v n LYS 487 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3i8v h HIS 488 N 2.07 -0.38 -0.75 2.13 -0.00 -1.27 -0.41 115.15 116.54 3i8v h HIS 488 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3i8v h HIS 488 Cb 0.51 0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 28.05 3i8v h HIS 488 CO 0.00 -0.22 0.48 0.52 -0.00 0.00 0.00 177.93 178.72 3i8v h MET 489 N -0.23 1.00 -0.04 5.26 2.86 -1.81 0.45 114.93 122.43 3i8v h MET 489 Ca 0.06 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3i8v h MET 489 Cb 0.31 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3i8v h MET 489 CO -0.16 0.68 -0.01 1.15 1.06 0.00 0.00 176.91 179.63 3i8v h THR 490 N 1.02 0.95 -0.57 2.22 2.02 -1.80 -2.10 112.91 114.66 3i8v h THR 490 Ca 0.27 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.51 3i8v h THR 490 Cb -0.09 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 3i8v h THR 490 CO -0.06 0.00 0.29 0.25 0.37 0.00 0.00 175.52 176.37 3i8v h LEU 491 N -0.01 0.41 -0.27 2.58 5.85 -0.61 -2.44 115.31 120.83 3i8v h LEU 491 Ca 0.02 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3i8v h LEU 491 Cb 0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3i8v h LEU 491 CO -0.04 0.28 0.02 0.25 -0.34 0.00 0.00 178.44 178.61 3i8v h LEU 492 N 0.55 0.44 -0.71 2.25 5.85 -0.75 -1.23 115.31 121.71 3i8v h LEU 492 Ca 0.25 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3i8v h LEU 492 Cb 0.17 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3i8v h LEU 492 CO -0.18 0.62 0.37 0.00 -0.34 0.00 0.00 178.44 178.91 3i8v h ALA 493 N 0.84 0.97 -0.40 1.25 0.00 -1.22 -0.76 119.26 119.94 3i8v h ALA 493 Ca 0.08 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3i8v h ALA 493 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3i8v h ALA 493 CO 0.01 0.00 -0.27 -0.44 0.00 0.00 0.00 179.25 178.55 3i8v h ASP 494 N 0.65 0.88 -0.79 0.00 5.19 -1.36 -2.24 116.42 118.74 3i8v h ASP 494 Ca 0.34 -0.34 0.06 0.00 -0.62 0.00 0.00 57.03 56.46 3i8v h ASP 494 Cb 0.30 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 39.51 3i8v h ASP 494 CO -0.24 1.09 0.48 0.25 -3.12 0.00 0.00 179.24 177.70 3i8v h LEU 495 N 0.72 0.75 -0.33 1.55 5.85 -0.77 -1.60 115.31 121.48 3i8v h LEU 495 Ca 0.09 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3i8v h LEU 495 Cb 0.82 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3i8v h LEU 495 CO 0.07 0.48 0.20 0.11 -0.34 0.00 0.00 178.44 178.96 3i8v h LYS 496 N 0.88 0.45 -0.57 1.25 1.57 -0.94 -0.55 116.57 118.65 3i8v h LYS 496 Ca 0.34 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.12 3i8v h LYS 496 Cb 0.15 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3i8v h LYS 496 CO -0.17 0.35 0.33 1.15 -0.57 0.00 0.00 179.45 180.54 3i8v h THR 497 N 0.43 1.02 -0.76 -0.16 2.02 -1.17 -1.44 112.91 112.85 3i8v h THR 497 Ca 0.12 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3i8v h THR 497 Cb 0.01 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 3i8v h THR 497 CO -0.02 0.12 0.38 -0.03 0.37 0.00 0.00 175.52 176.33 3i8v h MET 498 N 0.64 1.08 -0.33 6.66 -1.53 -1.06 -2.78 114.93 117.63 3i8v h MET 498 Ca 0.24 -0.15 -0.07 0.00 -3.44 0.00 0.00 59.70 56.28 3i8v h MET 498 Cb 0.08 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 30.91 3i8v h MET 498 CO -0.13 0.83 -0.08 0.28 0.14 0.00 0.00 176.91 177.95 3i8v h VAL 499 N 1.06 1.22 -0.70 -5.77 2.07 -0.56 -2.64 116.25 110.94 3i8v h VAL 499 Ca 0.26 -0.97 0.09 0.00 0.82 0.00 0.00 66.70 66.90 3i8v h VAL 499 Cb 0.10 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3i8v h VAL 499 CO -0.04 0.32 0.46 -0.33 0.02 0.00 0.00 177.57 178.01 3i8v h GLU 500 N 0.51 0.59 -0.17 1.57 5.08 -0.98 -2.86 114.58 118.30 3i8v h GLU 500 Ca 0.10 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3i8v h GLU 500 Cb 0.46 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 3i8v h GLU 500 CO 0.02 0.39 -0.48 0.25 -1.00 0.00 0.00 179.01 178.20 3i8v n THR 501 N -4.49 2.32 -2.05 1.13 -2.24 -1.10 -5.06 114.28 102.79 3i8v n THR 501 Ca 0.11 -3.32 -0.38 0.00 -2.27 0.00 0.00 64.05 58.19 3i8v n THR 501 Cb 0.32 -0.39 0.01 0.00 -2.10 0.00 0.00 70.33 68.17 3i8v n THR 501 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3i8v s LYS 502 N -3.30 3.49 -0.16 -0.78 -2.85 -1.01 -5.03 119.74 110.09 3i8v s LYS 502 Ca 0.41 1.98 -0.02 0.00 -1.00 0.00 0.00 55.97 57.34 3i8v s LYS 502 Cb 0.38 -2.34 -0.02 0.00 -2.06 0.00 0.00 37.83 33.80 3i8v s LYS 502 CO -0.04 -0.83 -0.08 0.15 0.10 0.00 0.00 175.35 174.64 3i8v s LYS 503 N -2.79 3.48 -0.04 1.78 1.02 -1.26 -5.07 119.74 116.86 3i8v s LYS 503 Ca 0.67 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 56.06 3i8v s LYS 503 Cb -0.34 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 3i8v s LYS 503 CO 0.40 0.14 -0.07 0.14 -0.92 0.00 0.00 175.35 175.04 3i8v s VAL 504 N 0.59 3.66 0.82 3.17 -7.23 -1.26 -0.39 120.40 119.76 3i8v s VAL 504 Ca -0.05 -0.59 -0.14 0.00 -1.81 0.00 0.00 61.98 59.39 3i8v s VAL 504 Cb -0.15 -2.53 0.19 0.00 0.56 0.00 0.00 36.38 34.45 3i8v s VAL 504 CO 0.03 0.53 1.04 0.35 -0.31 0.00 0.00 175.10 176.73 3i8v n THR 505 N 1.99 0.00 -0.31 5.32 -2.24 0.98 -4.87 114.28 115.16 3i8v n THR 505 Ca -0.17 -0.72 -0.01 0.00 -2.27 0.00 0.00 64.05 60.87 3i8v n THR 505 Cb 0.53 -1.54 0.02 0.00 -2.10 0.00 0.00 70.33 67.24 3i8v n THR 505 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3i8v n SER 506 N -3.81 -0.54 -1.96 3.42 2.88 -1.26 -1.59 113.62 110.76 3i8v n SER 506 Ca 0.13 1.38 -0.02 0.00 -1.33 0.00 0.00 58.87 59.03 3i8v n SER 506 Cb 0.46 -0.31 0.33 0.00 -0.75 0.00 0.00 64.21 63.94 3i8v n SER 506 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3i8v n SER 507 N -5.15 5.04 -0.76 -3.46 3.41 -1.26 -4.89 113.62 106.55 3i8v n SER 507 Ca 0.08 -3.10 -0.06 0.00 -0.26 0.00 0.00 58.87 55.52 3i8v n SER 507 Cb 0.31 -0.73 -0.00 0.00 -0.26 0.00 0.00 64.21 63.53 3i8v n SER 507 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8v n GLY 508 N 0.09 0.12 3.81 5.00 0.00 -0.62 -5.04 105.19 108.56 3i8v n GLY 508 Ca 0.36 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 3i8v n GLY 508 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8v s VAL 509 N -2.35 5.38 0.44 1.61 1.01 -1.26 -4.61 120.40 120.62 3i8v s VAL 509 Ca 0.01 0.37 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 3i8v s VAL 509 Cb -0.00 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 3i8v s VAL 509 CO 0.01 0.53 1.33 -0.76 0.00 0.00 0.00 175.10 176.21 3i8v s LEU 510 N -0.44 4.12 -0.34 3.92 1.43 0.24 -0.01 118.68 127.60 3i8v s LEU 510 Ca 0.15 2.70 -0.08 0.00 -1.03 0.00 0.00 54.13 55.88 3i8v s LEU 510 Cb -0.13 -3.99 0.03 0.00 0.03 0.00 0.00 46.19 42.13 3i8v s LEU 510 CO 0.04 -1.04 0.12 -0.22 0.23 0.00 0.00 176.35 175.49 3i8v s LEU 511 N -2.71 4.30 -0.55 1.79 2.96 0.47 -4.80 118.68 120.15 3i8v s LEU 511 Ca 0.60 -1.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3i8v s LEU 511 Cb -0.39 -1.91 0.14 0.00 0.50 0.00 0.00 46.19 44.53 3i8v s LEU 511 CO 0.49 -0.31 0.34 -0.76 -1.32 0.00 0.00 176.35 174.79 3i8v s LEU 512 N 1.46 5.00 0.41 -0.68 1.43 -1.26 -4.53 118.68 120.50 3i8v s LEU 512 Ca 0.00 -2.72 0.07 0.00 -1.03 0.00 0.00 54.13 50.45 3i8v s LEU 512 Cb -0.19 -1.79 0.84 0.00 0.03 0.00 0.00 46.19 45.09 3i8v s LEU 512 CO 0.04 -0.36 2.04 0.44 0.23 0.00 0.00 176.35 178.74 3i8v h ASP 513 N 7.10 0.46 -5.31 2.29 3.45 -1.97 -3.46 116.42 118.98 3i8v h ASP 513 Ca -0.05 -0.02 -0.15 0.00 0.43 0.00 0.00 57.03 57.24 3i8v h ASP 513 Cb 0.96 -0.12 -0.15 0.00 -0.56 0.00 0.00 39.33 39.46 3i8v h ASP 513 CO 0.69 0.36 -0.67 0.54 -1.57 0.00 0.00 179.24 178.59 3i8v s ASN 514 N -6.70 0.43 0.12 6.45 6.03 -1.26 -5.06 114.94 114.95 3i8v s ASN 514 Ca -0.08 -1.09 -0.23 0.00 -1.03 0.00 0.00 52.86 50.43 3i8v s ASN 514 Cb 0.17 0.24 -0.06 0.00 -3.03 0.00 0.00 41.25 38.57 3i8v s ASN 514 CO 0.73 -0.65 1.68 0.22 -2.03 0.00 0.00 177.10 177.05 3i8v h TYR 515 N 3.02 -0.33 -0.82 1.54 3.20 -2.00 -2.46 116.97 119.13 3i8v h TYR 515 Ca -0.35 0.01 0.18 0.00 3.14 0.00 0.00 58.73 61.72 3i8v h TYR 515 Cb 1.17 0.15 -0.15 0.00 1.54 0.00 0.00 36.73 39.44 3i8v h TYR 515 CO 0.49 -0.19 -0.09 1.03 -1.64 0.00 0.00 178.16 177.75 3i8v h SER 516 N -0.19 -0.57 -0.01 -2.11 0.87 -1.99 0.16 113.55 109.71 3i8v h SER 516 Ca 0.06 0.23 -0.16 0.00 -1.23 0.00 0.00 61.79 60.69 3i8v h SER 516 Cb 0.28 0.44 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3i8v h SER 516 CO -0.16 -0.25 -0.55 0.44 -0.53 0.00 0.00 176.83 175.78 3i8v h ASP 517 N 0.04 0.66 -0.36 6.23 3.32 -1.91 -2.36 116.42 122.03 3i8v h ASP 517 Ca 0.43 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3i8v h ASP 517 Cb 0.73 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3i8v h ASP 517 CO -0.79 1.07 -0.02 0.03 -1.72 0.00 0.00 179.24 177.81 3i8v h ARG 518 N 0.46 0.66 -0.05 3.56 3.08 -0.29 -2.03 114.38 119.75 3i8v h ARG 518 Ca 0.01 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 59.70 3i8v h ARG 518 Cb 1.10 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3i8v h ARG 518 CO 0.11 0.78 -0.59 0.97 -1.07 0.00 0.00 179.97 180.17 3i8v h ILE 519 N 0.47 1.39 -0.21 2.04 6.09 -1.10 -1.67 117.51 124.53 3i8v h ILE 519 Ca 0.10 -1.96 0.01 0.00 -1.37 0.00 0.00 64.86 61.65 3i8v h ILE 519 Cb 0.50 2.00 -0.02 0.00 0.47 0.00 0.00 36.82 39.77 3i8v h ILE 519 CO 0.02 0.57 0.09 -0.61 -3.07 0.00 0.00 178.15 175.16 3i8v h GLN 520 N 0.13 0.20 -0.67 2.19 4.15 -1.26 0.32 115.11 120.17 3i8v h GLN 520 Ca -0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 3i8v h GLN 520 Cb 1.07 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.68 3i8v h GLN 520 CO 0.09 0.13 0.40 0.28 -1.93 0.00 0.00 178.83 177.80 3i8v h VAL 521 N 0.20 1.19 -0.30 2.39 2.07 -1.22 -2.18 116.25 118.40 3i8v h VAL 521 Ca 0.08 -0.43 -0.16 0.00 0.82 0.00 0.00 66.70 67.01 3i8v h VAL 521 Cb 0.03 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3i8v h VAL 521 CO -0.07 0.20 -0.45 -0.07 0.02 0.00 0.00 177.57 177.20 3i8v h LEU 522 N 0.91 0.85 -0.91 2.57 3.38 -0.77 0.23 115.31 121.58 3i8v h LEU 522 Ca 0.24 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3i8v h LEU 522 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3i8v h LEU 522 CO -0.04 1.17 -0.14 0.08 0.09 0.00 0.00 178.44 179.60 3i8v h ARG 523 N 0.63 0.65 -0.08 1.13 0.11 -0.27 -1.87 114.38 114.67 3i8v h ARG 523 Ca 0.04 -0.21 -0.19 0.00 0.10 0.00 0.00 59.98 59.72 3i8v h ARG 523 Cb 1.02 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 32.04 3i8v h ARG 523 CO 0.10 0.77 -0.73 -0.91 0.10 0.00 0.00 179.97 179.29 3i8v h ASN 524 N 0.59 0.52 -0.22 0.08 2.35 -1.26 -2.07 115.58 115.57 3i8v h ASN 524 Ca 0.10 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 3i8v h ASN 524 Cb 0.57 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3i8v h ASN 524 CO 0.04 1.09 0.10 -0.03 -1.65 0.00 0.00 177.43 176.98 3i8v h MET 525 N 0.30 0.32 -0.70 0.81 4.05 -0.70 0.28 114.93 119.29 3i8v h MET 525 Ca -0.03 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.27 3i8v h MET 525 Cb 1.31 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 32.03 3i8v h MET 525 CO 0.13 0.35 0.16 0.28 0.23 0.00 0.00 176.91 178.05 3i8v h VAL 526 N 0.23 1.26 -0.19 -5.77 2.07 -1.33 -0.51 116.25 112.01 3i8v h VAL 526 Ca 0.08 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.64 3i8v h VAL 526 Cb 0.13 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3i8v h VAL 526 CO -0.01 0.38 -0.02 -0.74 0.02 0.00 0.00 177.57 177.20 3i8v h HIS 527 N 1.07 -0.04 -0.46 1.57 6.17 -1.12 0.11 115.15 122.44 3i8v h HIS 527 Ca 0.22 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.35 3i8v h HIS 527 Cb 0.39 0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.33 3i8v h HIS 527 CO 0.03 -0.05 0.23 0.00 0.71 0.00 0.00 177.93 178.85 3i8v h ALA 529 N 1.25 1.03 -0.81 0.00 0.00 -0.61 -0.57 119.26 119.56 3i8v h ALA 529 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i8v h ALA 529 Cb 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3i8v h ALA 529 CO -0.15 0.26 0.52 0.22 0.00 0.00 0.00 179.25 180.10 3i8v h ASP 530 N 0.92 0.95 -0.98 0.00 3.58 0.00 -2.45 116.42 118.44 3i8v h ASP 530 Ca 0.32 -0.04 -0.63 0.00 0.42 0.00 0.00 57.03 57.11 3i8v h ASP 530 Cb 0.07 -0.24 -0.30 0.00 1.72 0.00 0.00 39.33 40.59 3i8v h ASP 530 CO -0.14 0.70 0.74 0.18 -2.88 0.00 0.00 179.24 177.85 3i8v n LEU 531 N -4.40 7.30 0.00 2.28 4.77 -0.22 -4.56 117.00 122.18 3i8v n LEU 531 Ca 0.09 -4.14 0.11 0.00 -0.03 0.00 0.00 56.01 52.04 3i8v n LEU 531 Cb 0.04 -0.91 0.03 0.00 -2.33 0.00 0.00 43.42 40.25 3i8v n LEU 531 CO 0.37 1.40 0.11 -1.54 -1.33 0.00 0.00 177.39 176.39 3i8v n SER 532 N -0.97 0.73 -0.28 -1.43 3.41 -0.34 -4.52 113.62 110.23 3i8v n SER 532 Ca 0.61 -0.58 0.09 0.00 -0.26 0.00 0.00 58.87 58.73 3i8v n SER 532 Cb 0.92 0.74 0.24 0.00 -0.26 0.00 0.00 64.21 65.85 3i8v n SER 532 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3i8v h ASN 533 N 0.00 0.17 0.62 4.04 -0.26 -1.81 -1.11 115.58 117.23 3i8v h ASN 533 Ca 0.00 0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 3i8v h ASN 533 Cb 0.55 0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 3i8v h ASN 533 CO 0.00 -0.01 0.00 -2.65 -1.06 0.00 0.00 177.43 173.71 3i8v n PRO 534 N -5.10 0.17 0.00 0.81 -0.02 -1.26 -2.67 135.00 126.93 3i8v n PRO 534 Ca 0.18 0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.86 3i8v n PRO 534 Cb 0.55 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.75 3i8v n PRO 534 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i8v n THR 535 N -1.39 0.00 -2.53 3.45 -2.24 -0.43 -4.32 114.28 106.82 3i8v n THR 535 Ca 0.09 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.48 3i8v n THR 535 Cb 0.23 0.67 0.03 0.00 -2.10 0.00 0.00 70.33 69.16 3i8v n THR 535 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i8v s LYS 536 N -2.59 2.80 0.30 -0.78 -0.14 -1.09 -4.69 119.74 113.54 3i8v s LYS 536 Ca 0.20 -0.25 -0.29 0.00 -1.36 0.00 0.00 55.97 54.27 3i8v s LYS 536 Cb 0.18 -2.35 -0.13 0.00 -1.68 0.00 0.00 37.83 33.85 3i8v s LYS 536 CO 0.58 -0.68 1.27 -2.30 -0.76 0.00 0.00 175.35 173.46 3i8v n PRO 537 N -2.49 1.92 -0.33 -1.68 -0.02 -1.26 -4.56 135.00 126.58 3i8v n PRO 537 Ca 0.05 0.68 0.27 0.00 -2.02 0.00 0.00 63.50 62.47 3i8v n PRO 537 Cb 0.58 -2.24 0.51 0.00 -0.02 0.00 0.00 33.50 32.34 3i8v n PRO 537 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i8v h LEU 538 N 2.95 0.45 -1.22 2.45 5.85 -1.95 0.19 115.31 124.04 3i8v h LEU 538 Ca -0.44 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3i8v h LEU 538 Cb 1.29 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 3i8v h LEU 538 CO 0.66 -0.23 0.53 -0.33 -0.34 0.00 0.00 178.44 178.74 3i8v h GLU 539 N 0.22 1.03 0.01 1.25 3.07 -2.00 -0.75 114.58 117.41 3i8v h GLU 539 Ca 0.77 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.55 3i8v h GLU 539 Cb 1.87 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 29.55 3i8v h GLU 539 CO -0.65 0.68 -0.06 -0.07 -1.40 0.00 0.00 179.01 177.51 3i8v h LEU 540 N 1.06 0.04 -0.95 1.33 3.38 -0.98 -3.27 115.31 115.91 3i8v h LEU 540 Ca 0.30 -0.95 0.22 0.00 0.09 0.00 0.00 57.88 57.54 3i8v h LEU 540 Cb -0.08 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.54 3i8v h LEU 540 CO -0.07 0.98 0.52 0.22 0.09 0.00 0.00 178.44 180.18 3i8v h TYR 541 N -0.90 0.89 -0.14 1.13 3.20 -1.13 0.04 116.97 120.06 3i8v h TYR 541 Ca -0.01 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 3i8v h TYR 541 Cb 1.00 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 3i8v h TYR 541 CO 0.26 0.08 -0.30 0.00 -1.64 0.00 0.00 178.16 176.55 3i8v h ARG 542 N 0.57 0.26 -0.37 1.82 3.08 -1.24 -1.34 114.38 117.16 3i8v h ARG 542 Ca 0.59 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 60.40 3i8v h ARG 542 Cb 1.05 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3i8v h ARG 542 CO -0.46 0.54 -0.32 1.96 -1.07 0.00 0.00 179.97 180.62 3i8v h GLN 543 N 0.23 0.86 -0.82 0.04 4.20 -1.06 -2.31 115.11 116.26 3i8v h GLN 543 Ca 0.03 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 3i8v h GLN 543 Cb 0.65 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 3i8v h GLN 543 CO 0.05 1.09 0.48 -1.49 -0.67 0.00 0.00 178.83 178.28 3i8v h TRP 544 N 0.66 1.09 -0.26 2.96 -0.00 -1.08 -2.40 115.95 116.93 3i8v h TRP 544 Ca 0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.94 3i8v h TRP 544 Cb 0.91 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.16 29.70 3i8v h TRP 544 CO 0.06 0.74 0.13 1.15 -0.00 0.00 0.00 178.44 180.53 3i8v h THR 545 N 1.12 1.13 -0.98 1.49 2.02 -1.20 -0.98 112.91 115.51 3i8v h THR 545 Ca 0.29 -0.35 0.06 0.00 0.77 0.00 0.00 66.41 67.18 3i8v h THR 545 Cb -0.02 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.22 3i8v h THR 545 CO -0.05 0.13 0.64 0.44 0.37 0.00 0.00 175.52 177.04 3i8v h ASP 546 N 0.29 1.03 -0.02 4.18 3.32 -1.29 -2.13 116.42 121.81 3i8v h ASP 546 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3i8v h ASP 546 Cb 0.08 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3i8v h ASP 546 CO -0.01 0.67 -0.01 0.03 -1.72 0.00 0.00 179.24 178.20 3i8v h ARG 547 N 1.17 0.04 -0.85 3.56 3.08 -1.12 -1.08 114.38 119.18 3i8v h ARG 547 Ca 0.41 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 3i8v h ARG 547 Cb 0.12 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3i8v h ARG 547 CO -0.15 0.44 0.47 0.97 -1.07 0.00 0.00 179.97 180.63 3i8v h ILE 548 N -0.36 1.25 -0.44 2.04 6.09 -1.04 -1.86 117.51 123.18 3i8v h ILE 548 Ca 0.00 -0.60 -0.13 0.00 -1.37 0.00 0.00 64.86 62.76 3i8v h ILE 548 Cb 0.43 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 37.80 3i8v h ILE 548 CO 0.00 0.27 -0.24 0.24 -3.07 0.00 0.00 178.15 175.36 3i8v h MET 549 N 1.18 0.91 -0.53 2.19 2.86 -1.37 0.15 114.93 120.31 3i8v h MET 549 Ca 0.30 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3i8v h MET 549 Cb 0.02 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 3i8v h MET 549 CO -0.05 1.04 0.29 0.00 1.06 0.00 0.00 176.91 179.25 3i8v h ALA 550 N 0.94 0.69 -0.01 6.32 0.00 -0.87 0.19 119.26 126.53 3i8v h ALA 550 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i8v h ALA 550 Cb 0.80 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i8v h ALA 550 CO 0.07 -0.04 0.00 1.49 0.00 0.00 0.00 179.25 180.76 3i8v h GLU 551 N 0.56 0.01 -0.53 0.00 4.81 -0.92 -1.40 114.58 117.10 3i8v h GLU 551 Ca 0.23 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 3i8v h GLU 551 Cb 0.12 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3i8v h GLU 551 CO -0.15 0.22 0.30 0.74 -0.73 0.00 0.00 179.01 179.39 3i8v h PHE 552 N -0.20 0.55 -0.66 0.92 -1.00 -0.62 -1.90 116.94 114.02 3i8v h PHE 552 Ca 0.00 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.74 3i8v h PHE 552 Cb 0.22 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.58 3i8v h PHE 552 CO -0.00 0.29 0.18 0.74 -1.61 0.00 0.00 178.31 177.90 3i8v h PHE 553 N 0.58 1.08 -0.42 -0.55 0.04 -0.51 -0.28 116.94 116.87 3i8v h PHE 553 Ca 0.23 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.81 3i8v h PHE 553 Cb 0.09 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 3i8v h PHE 553 CO -0.08 0.87 -0.03 0.37 -0.60 0.00 0.00 178.31 178.84 3i8v h GLN 554 N 0.99 0.70 -0.19 1.51 4.15 -1.09 -0.40 115.11 120.78 3i8v h GLN 554 Ca 0.21 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3i8v h GLN 554 Cb 0.33 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3i8v h GLN 554 CO -0.00 0.74 0.06 0.37 -1.93 0.00 0.00 178.83 178.07 3i8v h GLN 555 N 0.66 0.30 -0.87 1.69 4.15 -0.67 -1.77 115.11 118.60 3i8v h GLN 555 Ca 0.13 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.56 3i8v h GLN 555 Cb 0.45 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.03 3i8v h GLN 555 CO 0.02 0.40 0.53 0.78 -1.93 0.00 0.00 178.83 178.63 3i8v h GLY 556 N 0.14 1.33 1.09 2.39 0.00 -0.84 0.73 103.07 107.91 3i8v h GLY 556 Ca 0.06 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 3i8v h GLY 556 CO -0.00 0.22 0.36 -0.55 0.00 0.00 0.00 176.54 176.57 3i8v h ASP 557 N 0.93 1.07 -0.30 0.19 3.32 -0.92 -0.09 116.42 120.62 3i8v h ASP 557 Ca 0.39 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.18 3i8v h ASP 557 Cb 0.25 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3i8v h ASP 557 CO -0.20 0.92 -0.32 0.03 -1.72 0.00 0.00 179.24 177.95 3i8v h ARG 558 N 1.15 0.74 -0.56 3.56 3.08 -0.49 -1.40 114.38 120.47 3i8v h ARG 558 Ca 0.27 -0.40 0.07 0.00 0.07 0.00 0.00 59.98 60.00 3i8v h ARG 558 Cb 0.15 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 3i8v h ARG 558 CO -0.03 1.02 0.22 0.93 -1.07 0.00 0.00 179.97 181.05 3i8v h GLU 559 N 0.50 0.41 -0.12 0.04 5.08 -0.70 -1.85 114.58 117.93 3i8v h GLU 559 Ca 0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3i8v h GLU 559 Cb 0.89 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3i8v h GLU 559 CO 0.08 0.27 0.05 -0.09 -1.00 0.00 0.00 179.01 178.32 3i8v h ARG 560 N 0.42 0.18 -0.95 2.33 2.43 -0.85 -0.83 114.38 117.11 3i8v h ARG 560 Ca 0.27 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.54 3i8v h ARG 560 Cb 0.29 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.73 3i8v h ARG 560 CO -0.25 0.28 0.60 0.93 -1.51 0.00 0.00 179.97 180.02 3i8v h GLU 561 N 0.05 0.81 -0.14 0.20 5.08 -1.10 -2.57 114.58 116.92 3i8v h GLU 561 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3i8v h GLU 561 Cb 0.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3i8v h GLU 561 CO -0.00 0.54 0.00 0.54 -1.00 0.00 0.00 179.01 179.08 3i8v n ARG 562 N -4.60 1.65 -1.84 2.33 1.74 -0.71 -4.92 116.66 110.30 3i8v n ARG 562 Ca 0.18 -0.97 -0.09 0.00 -0.77 0.00 0.00 57.85 56.20 3i8v n ARG 562 Cb 0.42 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 3i8v n ARG 562 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8v n GLY 563 N 1.10 0.40 3.96 -0.13 0.00 -0.97 -5.03 105.19 104.51 3i8v n GLY 563 Ca 0.16 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 3i8v n GLY 563 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i8v s MET 564 N -3.85 3.42 0.24 1.61 -1.94 -0.35 -5.04 119.30 113.39 3i8v s MET 564 Ca 0.00 -0.55 -0.31 0.00 -1.71 0.00 0.00 55.69 53.13 3i8v s MET 564 Cb 0.00 -2.75 -0.11 0.00 2.01 0.00 0.00 34.83 33.98 3i8v s MET 564 CO 0.00 0.23 1.58 -2.00 -0.01 0.00 0.00 175.02 174.82 3i8v s GLU 565 N -4.19 4.17 -0.10 2.03 2.56 -1.26 -4.47 118.70 117.44 3i8v s GLU 565 Ca 0.38 2.48 -0.30 0.00 0.00 0.00 0.00 54.97 57.54 3i8v s GLU 565 Cb -0.09 -3.08 -0.02 0.00 2.00 0.00 0.00 34.13 32.94 3i8v s GLU 565 CO 0.33 -0.60 1.06 0.42 -0.56 0.00 0.00 175.26 175.91 3i8v s ILE 566 N 0.45 4.63 0.83 -3.70 1.01 -1.26 -4.92 121.20 118.24 3i8v s ILE 566 Ca 0.66 1.91 -0.11 0.00 0.00 0.00 0.00 60.65 63.12 3i8v s ILE 566 Cb -0.46 -4.23 0.10 0.00 0.01 0.00 0.00 42.46 37.88 3i8v s ILE 566 CO 0.40 -0.01 1.13 -0.44 0.00 0.00 0.00 174.94 176.02 3i8v s SER 567 N 1.22 3.75 0.21 3.58 0.01 -1.26 -4.90 113.70 116.31 3i8v s SER 567 Ca 0.50 2.04 -0.32 0.00 1.31 0.00 0.00 55.95 59.48 3i8v s SER 567 Cb -0.20 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.34 3i8v s SER 567 CO 0.18 -2.55 1.38 -2.65 0.41 0.00 0.00 173.24 170.01 3i8v n PRO 568 N -3.78 1.85 -0.97 12.44 -0.02 -1.26 -1.85 135.00 141.41 3i8v n PRO 568 Ca 0.11 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3i8v n PRO 568 Cb 0.52 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3i8v n PRO 568 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3i8v n MET 569 N 2.15 -1.83 0.00 -0.52 2.81 -1.26 -4.84 117.12 113.63 3i8v n MET 569 Ca 0.13 0.46 0.12 0.00 -1.81 0.00 0.00 57.70 56.60 3i8v n MET 569 Cb 0.29 -4.93 0.21 0.00 -0.71 0.00 0.00 33.22 28.09 3i8v n MET 569 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i8v s ASP 571 N -2.19 6.21 0.53 0.00 2.15 -1.26 -3.56 116.67 118.55 3i8v s ASP 571 Ca 0.27 -0.91 0.26 0.00 0.43 0.00 0.00 52.55 52.60 3i8v s ASP 571 Cb 0.20 -2.27 1.49 0.00 -0.30 0.00 0.00 42.92 42.04 3i8v s ASP 571 CO 0.41 -0.81 2.12 0.07 -0.17 0.00 0.00 175.17 176.78 3i8v h LYS 572 N 8.92 0.00 0.00 4.34 2.10 -1.88 -0.36 116.57 129.69 3i8v h LYS 572 Ca -0.27 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.34 3i8v h LYS 572 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 3i8v h LYS 572 CO 0.93 0.09 -0.18 0.45 -2.00 0.00 0.00 179.45 178.74 3i8v h HIS 573 N 0.00 0.00 0.00 0.07 3.86 -2.01 -3.35 115.15 113.72 3i8v h HIS 573 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3i8v h HIS 573 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3i8v h HIS 573 CO 0.00 0.18 -0.13 0.25 0.86 0.00 0.00 177.93 179.09 3i8v n THR 574 N -3.26 0.00 -2.88 2.45 -2.24 -1.00 -5.07 114.28 102.28 3i8v n THR 574 Ca 0.01 -0.30 -0.39 0.00 -2.27 0.00 0.00 64.05 61.10 3i8v n THR 574 Cb 0.46 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 3i8v n THR 574 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8v s ALA 575 N -0.87 3.36 -0.24 6.98 0.00 -0.18 -5.04 121.76 125.77 3i8v s ALA 575 Ca 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.35 3i8v s ALA 575 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3i8v s ALA 575 CO 0.00 0.25 0.03 0.45 0.00 0.00 0.00 175.76 176.48 3i8v s SER 576 N -1.32 4.80 0.16 0.00 0.15 -1.26 -4.94 113.70 111.28 3i8v s SER 576 Ca 0.41 -0.30 -0.16 0.00 0.70 0.00 0.00 55.95 56.61 3i8v s SER 576 Cb -0.22 -1.85 0.09 0.00 -1.71 0.00 0.00 66.02 62.33 3i8v s SER 576 CO 0.27 -0.03 1.73 0.58 1.20 0.00 0.00 173.24 176.99 3i8v h VAL 577 N 5.62 0.83 -0.15 4.45 2.07 -1.99 -1.75 116.25 125.34 3i8v h VAL 577 Ca -0.39 -0.08 -0.15 0.00 0.82 0.00 0.00 66.70 66.89 3i8v h VAL 577 Cb 1.17 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3i8v h VAL 577 CO 0.59 0.04 -0.50 -0.33 0.02 0.00 0.00 177.57 177.39 3i8v h GLU 578 N 0.23 0.60 -0.47 1.57 3.07 -1.94 -2.79 114.58 114.86 3i8v h GLU 578 Ca 0.18 -0.45 -0.09 0.00 -0.50 0.00 0.00 59.36 58.51 3i8v h GLU 578 Cb 0.20 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.17 3i8v h GLU 578 CO -0.22 1.07 -0.05 0.87 -1.40 0.00 0.00 179.01 179.28 3i8v h LYS 579 N 0.25 0.81 -0.76 2.33 1.57 -1.84 -2.13 116.57 116.81 3i8v h LYS 579 Ca -0.02 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 3i8v h LYS 579 Cb 1.13 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 3i8v h LYS 579 CO 0.11 0.85 0.30 0.77 -0.57 0.00 0.00 179.45 180.91 3i8v h SER 580 N 0.74 1.04 -0.24 0.86 0.02 -1.31 -1.26 113.55 113.40 3i8v h SER 580 Ca 0.13 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 3i8v h SER 580 Cb 0.53 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3i8v h SER 580 CO 0.03 0.92 -0.13 1.56 -1.14 0.00 0.00 176.83 178.07 3i8v h GLN 581 N 1.10 0.51 -0.20 3.45 1.08 -1.20 -0.11 115.11 119.75 3i8v h GLN 581 Ca 0.25 -0.23 0.06 0.00 -1.45 0.00 0.00 58.65 57.28 3i8v h GLN 581 Cb 0.21 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.57 3i8v h GLN 581 CO -0.02 0.79 -0.21 0.28 -0.95 0.00 0.00 178.83 178.71 3i8v h VAL 582 N 0.23 0.45 -0.84 -0.54 2.07 -1.23 0.91 116.25 117.31 3i8v h VAL 582 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3i8v h VAL 582 Cb 0.64 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3i8v h VAL 582 CO 0.04 0.00 0.49 1.23 0.02 0.00 0.00 177.57 179.35 3i8v h GLY 583 N -0.23 1.23 0.81 2.17 0.00 -1.12 0.01 103.07 105.94 3i8v h GLY 583 Ca 0.12 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.95 3i8v h GLY 583 CO -0.34 0.51 0.08 -2.75 0.00 0.00 0.00 176.54 174.04 3i8v h PHE 584 N 1.16 0.15 -0.17 5.60 3.57 -0.51 -1.36 116.94 125.37 3i8v h PHE 584 Ca 0.30 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 3i8v h PHE 584 Cb -0.02 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3i8v h PHE 584 CO 0.00 0.07 0.04 0.82 -2.23 0.00 0.00 178.31 177.01 3i8v h ILE 585 N 0.19 1.21 -0.40 1.41 2.04 -0.54 -0.98 117.51 120.43 3i8v h ILE 585 Ca 0.10 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 3i8v h ILE 585 Cb 0.07 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3i8v h ILE 585 CO -0.11 0.21 -0.00 0.44 0.00 0.00 0.00 178.15 178.69 3i8v h ASP 586 N 0.09 0.61 0.00 1.72 3.32 -0.70 0.16 116.42 121.61 3i8v h ASP 586 Ca 0.05 -0.13 -0.23 0.00 0.02 0.00 0.00 57.03 56.74 3i8v h ASP 586 Cb 0.28 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3i8v h ASP 586 CO 0.00 0.69 -1.95 0.00 -1.72 0.00 0.00 179.24 176.26 3i8v n TYR 587 N -4.24 0.00 0.01 4.55 9.36 -0.54 -4.52 117.16 121.77 3i8v n TYR 587 Ca 0.02 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.21 3i8v n TYR 587 Cb 0.27 -0.67 -0.01 0.00 -0.63 0.00 0.00 39.34 38.31 3i8v n TYR 587 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3i8v n ILE 588 N -2.47 1.18 -0.02 2.97 2.08 -0.65 -4.76 119.36 117.69 3i8v n ILE 588 Ca -0.21 0.28 -0.16 0.00 0.56 0.00 0.00 62.75 63.22 3i8v n ILE 588 Cb 0.90 -1.76 -0.12 0.00 -0.75 0.00 0.00 39.64 37.91 3i8v n ILE 588 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3i8v h VAL 589 N -0.25 1.55 -0.32 1.39 2.07 -1.08 -2.86 116.25 116.74 3i8v h VAL 589 Ca -0.02 -2.06 -0.06 0.00 0.82 0.00 0.00 66.70 65.37 3i8v h VAL 589 Cb 0.38 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3i8v h VAL 589 CO -0.01 0.57 -0.05 -0.74 0.02 0.00 0.00 177.57 177.35 3i8v h HIS 590 N -0.47 0.67 -0.36 1.57 -0.00 -0.94 -1.47 115.15 114.15 3i8v h HIS 590 Ca -0.05 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.37 60.18 3i8v h HIS 590 Cb 1.12 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.34 3i8v h HIS 590 CO 0.19 0.76 0.16 -1.35 -0.00 0.00 0.00 177.93 177.69 3i8v h PRO 591 N 0.38 0.50 0.55 5.26 0.11 -1.75 0.37 132.00 137.43 3i8v h PRO 591 Ca 0.08 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3i8v h PRO 591 Cb 0.53 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.54 3i8v h PRO 591 CO 0.03 0.40 -0.26 1.25 -0.21 0.00 0.00 178.00 179.21 3i8v h LEU 592 N 0.51 -0.63 -1.65 2.35 5.85 -1.36 -2.99 115.31 117.40 3i8v h LEU 592 Ca 0.13 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3i8v h LEU 592 Cb 0.08 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3i8v h LEU 592 CO -0.02 -0.32 -0.17 -0.50 -0.34 0.00 0.00 178.44 177.10 3i8v h TRP 593 N -0.93 0.01 -0.63 1.25 4.06 -1.13 -1.55 115.95 117.03 3i8v h TRP 593 Ca -0.08 -0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.78 3i8v h TRP 593 Cb 0.63 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.76 3i8v h TRP 593 CO -0.00 0.18 0.04 1.49 -3.56 0.00 0.00 178.44 176.59 3i8v h GLU 594 N 0.01 1.09 -0.14 0.49 4.81 -0.97 0.14 114.58 120.00 3i8v h GLU 594 Ca 0.00 -0.32 -0.15 0.00 -0.13 0.00 0.00 59.36 58.75 3i8v h GLU 594 Cb 0.31 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3i8v h GLU 594 CO 0.02 1.03 -0.56 1.15 -0.73 0.00 0.00 179.01 179.93 3i8v h THR 595 N 1.00 1.34 -0.25 0.32 2.02 -1.31 -2.16 112.91 113.87 3i8v h THR 595 Ca 0.18 -1.84 -0.07 0.00 0.77 0.00 0.00 66.41 65.46 3i8v h THR 595 Cb 0.52 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 3i8v h THR 595 CO 0.02 0.56 -0.11 -0.25 0.37 0.00 0.00 175.52 176.11 3i8v h TRP 596 N 0.33 0.59 -0.71 3.16 2.91 -0.97 -2.21 115.95 119.05 3i8v h TRP 596 Ca 0.00 -0.15 0.02 0.00 1.13 0.00 0.00 58.89 59.89 3i8v h TRP 596 Cb 1.08 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.56 3i8v h TRP 596 CO 0.04 0.77 0.47 0.00 -1.03 0.00 0.00 178.44 178.69 3i8v h ALA 597 N 0.73 1.52 -0.88 2.65 0.00 -0.68 -0.75 119.26 121.85 3i8v h ALA 597 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i8v h ALA 597 Cb 0.61 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3i8v h ALA 597 CO 0.04 0.43 0.56 -0.44 0.00 0.00 0.00 179.25 179.84 3i8v h ASP 598 N 0.93 1.03 -0.18 0.00 5.19 -1.30 -0.94 116.42 121.16 3i8v h ASP 598 Ca 0.27 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 3i8v h ASP 598 Cb -0.06 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.18 3i8v h ASP 598 CO -0.06 0.77 0.08 0.25 -3.12 0.00 0.00 179.24 177.16 3i8v h LEU 599 N 1.20 0.24 -3.55 1.55 5.85 -0.51 -3.26 115.31 116.83 3i8v h LEU 599 Ca 0.32 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 3i8v h LEU 599 Cb -0.10 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.80 3i8v h LEU 599 CO -0.07 0.31 0.12 1.33 -0.34 0.00 0.00 178.44 179.79 3i8v n VAL 600 N -4.87 2.71 -1.64 1.05 0.24 -0.83 -4.99 118.33 110.00 3i8v n VAL 600 Ca -0.04 -1.77 -0.47 0.00 -2.04 0.00 0.00 64.34 60.02 3i8v n VAL 600 Cb 0.10 -0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 32.12 3i8v n VAL 600 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3i8v n HIS 601 N -0.19 1.97 -0.48 6.34 -0.00 -0.36 -0.61 115.22 121.89 3i8v n HIS 601 Ca 0.33 0.44 0.09 0.00 -0.00 0.00 0.00 57.72 58.57 3i8v n HIS 601 Cb 1.20 -2.44 0.34 0.00 -0.00 0.00 0.00 29.99 29.08 3i8v n HIS 601 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3i8v n PRO 602 N 2.61 3.66 0.28 1.57 -0.04 -1.26 -4.97 135.00 136.84 3i8v n PRO 602 Ca 0.15 -2.69 0.14 0.00 -0.04 0.00 0.00 63.50 61.06 3i8v n PRO 602 Cb 0.27 -1.89 0.86 0.00 -0.04 0.00 0.00 33.50 32.70 3i8v n PRO 602 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3i8v h ASP 603 N 3.82 0.00 -0.37 3.54 3.32 -1.14 -2.80 116.42 122.79 3i8v h ASP 603 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3i8v h ASP 603 Cb 1.42 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.93 3i8v h ASP 603 CO 0.24 0.00 0.03 0.00 -1.72 0.00 0.00 179.24 177.80 3i8v n ALA 604 N -2.37 3.55 -0.12 3.45 0.00 -1.26 -4.63 120.51 119.13 3i8v n ALA 604 Ca -0.02 -2.45 -0.09 0.00 0.00 0.00 0.00 53.44 50.87 3i8v n ALA 604 Cb 0.11 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 3i8v n ALA 604 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i8v h GLN 605 N 1.91 0.50 -0.33 0.00 5.75 -1.85 -2.78 115.11 118.32 3i8v h GLN 605 Ca 0.09 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3i8v h GLN 605 Cb 1.67 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 30.09 3i8v h GLN 605 CO 0.36 0.41 0.15 1.49 -2.65 0.00 0.00 178.83 178.59 3i8v h GLU 606 N 0.46 0.31 -0.91 1.69 4.22 -1.85 -1.79 114.58 116.71 3i8v h GLU 606 Ca 0.13 -0.02 0.13 0.00 0.08 0.00 0.00 59.36 59.67 3i8v h GLU 606 Cb 0.05 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.15 3i8v h GLU 606 CO -0.02 0.20 0.53 0.82 -2.18 0.00 0.00 179.01 178.36 3i8v h ILE 607 N 0.32 0.85 -0.39 2.32 2.04 -1.86 -0.21 117.51 120.58 3i8v h ILE 607 Ca 0.14 -0.28 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 3i8v h ILE 607 Cb 0.07 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 3i8v h ILE 607 CO -0.11 0.15 -0.29 0.25 0.00 0.00 0.00 178.15 178.15 3i8v h LEU 608 N 0.82 0.87 -0.40 1.44 5.85 -1.15 -0.41 115.31 122.32 3i8v h LEU 608 Ca 0.47 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3i8v h LEU 608 Cb 0.53 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3i8v h LEU 608 CO -0.30 1.10 0.07 0.44 -0.34 0.00 0.00 178.44 179.42 3i8v h ASP 609 N 0.71 0.64 -0.73 1.25 3.32 -0.58 -0.53 116.42 120.50 3i8v h ASP 609 Ca 0.08 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3i8v h ASP 609 Cb 0.84 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 3i8v h ASP 609 CO 0.07 0.73 0.41 0.74 -1.72 0.00 0.00 179.24 179.47 3i8v h THR 610 N 0.52 1.22 -0.69 0.35 2.02 -0.87 -0.79 112.91 114.67 3i8v h THR 610 Ca 0.12 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 3i8v h THR 610 Cb 0.36 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3i8v h THR 610 CO 0.01 0.24 0.29 0.25 0.37 0.00 0.00 175.52 176.68 3i8v h LEU 611 N 1.01 0.94 -0.73 2.58 5.85 -0.86 0.01 115.31 124.12 3i8v h LEU 611 Ca 0.26 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3i8v h LEU 611 Cb 0.03 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3i8v h LEU 611 CO -0.04 0.84 0.18 -0.33 -0.34 0.00 0.00 178.44 178.76 3i8v h GLU 612 N 0.98 1.15 -0.56 1.25 5.08 -0.62 -1.73 114.58 120.13 3i8v h GLU 612 Ca 0.23 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3i8v h GLU 612 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3i8v h GLU 612 CO -0.02 1.00 0.07 -0.44 -1.00 0.00 0.00 179.01 178.62 3i8v h ASP 613 N 1.09 0.86 -0.21 1.42 3.32 -0.67 -2.27 116.42 119.96 3i8v h ASP 613 Ca 0.23 -0.19 -0.19 0.00 0.02 0.00 0.00 57.03 56.89 3i8v h ASP 613 Cb 0.36 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.69 3i8v h ASP 613 CO 0.00 0.89 -0.63 0.78 -1.72 0.00 0.00 179.24 178.56 3i8v h ASN 614 N 0.85 0.92 -0.30 6.45 2.35 -0.87 -0.99 115.58 123.98 3i8v h ASN 614 Ca 0.17 -0.58 0.06 0.00 -0.55 0.00 0.00 56.30 55.40 3i8v h ASN 614 Cb 0.41 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 3i8v h ASN 614 CO 0.01 1.34 -0.03 -0.09 -1.65 0.00 0.00 177.43 177.01 3i8v h ARG 615 N 0.54 0.05 -0.82 0.81 1.12 -1.27 -1.86 114.38 112.95 3i8v h ARG 615 Ca -0.02 -0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.86 3i8v h ARG 615 Cb 1.25 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.15 3i8v h ARG 615 CO 0.13 0.03 0.54 0.22 -3.11 0.00 0.00 179.97 177.79 3i8v h ASP 616 N 0.05 0.94 -0.07 -3.80 3.58 -1.23 0.14 116.42 116.03 3i8v h ASP 616 Ca 0.14 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 3i8v h ASP 616 Cb 0.21 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 3i8v h ASP 616 CO -0.27 0.68 0.03 -0.25 -2.88 0.00 0.00 179.24 176.55 3i8v h TRP 617 N 1.10 0.11 -0.34 0.28 7.01 -0.61 -1.14 115.95 122.36 3i8v h TRP 617 Ca 0.30 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.23 3i8v h TRP 617 Cb -0.11 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 3i8v h TRP 617 CO -0.00 0.20 -0.07 1.88 -2.79 0.00 0.00 178.44 177.65 3i8v h TYR 618 N -0.02 0.60 -0.63 2.65 0.05 -1.03 -0.81 116.97 117.78 3i8v h TYR 618 Ca 0.02 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.67 3i8v h TYR 618 Cb 0.13 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 3i8v h TYR 618 CO -0.03 0.63 0.20 -0.92 -1.05 0.00 0.00 178.16 176.98 3i8v h TYR 619 N 0.52 0.99 0.00 4.88 3.20 -0.79 -3.04 116.97 122.74 3i8v h TYR 619 Ca 0.10 -0.09 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 3i8v h TYR 619 Cb 0.45 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3i8v h TYR 619 CO 0.02 0.79 -0.81 0.77 -1.64 0.00 0.00 178.16 177.29 3i8v h SER 620 N 0.93 0.00 0.77 -2.11 0.02 -0.88 -3.26 113.55 109.02 3i8v h SER 620 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3i8v h SER 620 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3i8v h SER 620 CO -0.01 0.76 0.00 0.00 -1.14 0.00 0.00 176.83 176.45 3i8v n ALA 621 N -2.30 1.98 0.00 3.77 0.00 -0.34 -5.10 120.51 118.52 3i8v n ALA 621 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3i8v n ALA 621 Cb 0.85 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3i8v n ALA 621 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61