#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pms n LYS 432 N 0.00 2.24 -0.41 1.43 5.02 -1.26 -4.36 118.16 120.81 1pms n LYS 432 Ca 0.00 -1.99 -0.04 0.00 -2.02 0.00 0.00 58.31 54.26 1pms n LYS 432 Cb 0.00 -1.83 0.10 0.00 -0.02 0.00 0.00 35.03 33.29 1pms n LYS 432 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pms n GLN 433 N -0.34 1.88 -0.16 1.97 6.02 -1.26 -4.32 117.38 121.18 1pms n GLN 433 Ca 0.34 -1.16 0.14 0.00 -0.01 0.00 0.00 57.00 56.31 1pms n GLN 433 Cb 1.17 -1.59 0.48 0.00 1.02 0.00 0.00 30.24 31.33 1pms n GLN 433 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1pms h LEU 434 N 1.21 0.44 -0.10 1.08 3.38 -2.00 0.45 115.31 119.76 1pms h LEU 434 Ca 0.14 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 1pms h LEU 434 Cb 1.45 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1pms h LEU 434 CO 0.33 0.24 -0.68 0.00 0.09 0.00 0.00 178.44 178.41 1pms h ALA 435 N 1.65 0.59 -0.00 1.53 0.00 -1.98 -3.03 119.26 118.02 1pms h ALA 435 Ca 0.35 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1pms h ALA 435 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1pms h ALA 435 CO -0.12 0.85 -0.18 -0.89 0.00 0.00 0.00 179.25 178.91 1pms n ILE 436 N -3.31 0.00 0.10 0.00 2.08 0.12 -3.29 119.36 115.05 1pms n ILE 436 Ca 0.01 -0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.34 1pms n ILE 436 Cb 0.79 -0.22 -0.01 0.00 -0.75 0.00 0.00 39.64 39.45 1pms n ILE 436 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1pms h LYS 437 N 0.02 0.00 -0.16 0.38 3.11 -0.21 -3.32 116.57 116.39 1pms h LYS 437 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1pms h LYS 437 Cb 0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1pms h LYS 437 CO 0.00 0.41 0.04 -0.22 -2.81 0.00 0.00 179.45 176.87 1pms h LYS 438 N 0.00 0.26 -1.00 1.90 1.63 -1.60 -2.79 116.57 114.98 1pms h LYS 438 Ca -0.05 -0.06 0.37 0.00 -0.85 0.00 0.00 60.65 60.05 1pms h LYS 438 Cb 1.43 -0.03 -0.18 0.00 -0.60 0.00 0.00 32.23 32.85 1pms h LYS 438 CO 0.06 0.41 0.40 1.98 -3.45 0.00 0.00 179.45 178.85 1pms h MET 439 N 0.07 0.02 0.24 1.90 4.05 -1.71 0.56 114.93 120.06 1pms h MET 439 Ca 0.05 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1pms h MET 439 Cb 0.27 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1pms h MET 439 CO 0.00 0.01 -0.25 -0.97 0.23 0.00 0.00 176.91 175.94 1pms h ASN 440 N 0.02 -0.66 0.50 1.39 -1.24 -1.67 0.76 115.58 114.67 1pms h ASN 440 Ca 0.77 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.84 1pms h ASN 440 Cb 1.93 0.23 0.00 0.00 0.73 0.00 0.00 38.32 41.21 1pms h ASN 440 CO -0.80 -0.36 0.00 -0.62 -1.29 0.00 0.00 177.43 174.36 1pms n GLU 441 N -5.37 0.06 0.05 6.67 1.02 0.16 -2.55 120.64 120.68 1pms n GLU 441 Ca -0.08 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.12 1pms n GLU 441 Cb 0.28 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 1pms n GLU 441 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1pms h ILE 442 N 0.00 1.20 0.00 -3.67 2.04 0.17 -1.64 117.51 115.61 1pms h ILE 442 Ca 0.00 -2.90 0.00 0.00 1.00 0.00 0.00 64.86 62.96 1pms h ILE 442 Cb 0.25 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1pms h ILE 442 CO 0.00 0.79 0.00 -0.61 0.00 0.00 0.00 178.15 178.33 1pms h GLN 443 N 0.04 0.00 0.02 2.37 -0.00 -0.84 -2.49 115.11 114.20 1pms h GLN 443 Ca -0.21 0.00 -0.39 0.00 -0.00 0.00 0.00 58.65 58.05 1pms h GLN 443 Cb 1.96 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 29.39 1pms h GLN 443 CO 0.14 0.00 -2.27 1.63 0.00 0.00 0.00 178.83 178.33 1pms n LYS 444 N -2.39 0.63 0.00 1.69 4.76 -1.21 -1.85 118.16 119.80 1pms n LYS 444 Ca 0.04 0.27 0.08 0.00 -2.87 0.00 0.00 58.31 55.82 1pms n LYS 444 Cb 0.37 -1.57 0.38 0.00 -1.84 0.00 0.00 35.03 32.37 1pms n LYS 444 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1pms n ASN 445 N -3.82 0.00 -0.04 4.39 2.85 -0.62 -3.37 115.26 114.65 1pms n ASN 445 Ca -0.45 0.19 -0.08 0.00 -0.11 0.00 0.00 54.58 54.12 1pms n ASN 445 Cb 0.92 -0.35 -0.03 0.00 1.24 0.00 0.00 39.78 41.56 1pms n ASN 445 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pms n ILE 446 N -1.35 0.48 0.00 -1.44 0.13 -0.94 -4.96 119.36 111.28 1pms n ILE 446 Ca 0.06 -0.15 0.00 0.00 -1.10 0.00 0.00 62.75 61.57 1pms n ILE 446 Cb 0.14 -1.24 0.00 0.00 -0.84 0.00 0.00 39.64 37.70 1pms n ILE 446 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1pms n ASP 447 N -3.09 0.00 0.00 9.51 -0.08 -0.77 -3.64 116.55 118.48 1pms n ASP 447 Ca -0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 1pms n ASP 447 Cb 0.64 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.10 1pms n ASP 447 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pms n GLY 448 N 0.00 0.00 2.23 0.27 0.00 -1.26 -4.98 105.19 101.45 1pms n GLY 448 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1pms n GLY 448 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pms n TRP 449 N 0.00 -0.70 0.00 1.61 8.01 -1.24 -4.42 117.44 120.70 1pms n TRP 449 Ca 0.00 0.30 0.00 0.00 -1.31 0.00 0.00 57.50 56.49 1pms n TRP 449 Cb 0.00 -0.77 0.00 0.00 -2.01 0.00 0.00 31.31 28.53 1pms n TRP 449 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1pms n GLU 450 N 0.48 1.47 -2.41 -0.99 2.13 -1.26 -3.57 120.64 116.47 1pms n GLU 450 Ca -0.02 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.77 1pms n GLU 450 Cb 0.34 -0.89 -0.01 0.00 0.27 0.00 0.00 31.44 31.15 1pms n GLU 450 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pms n GLY 451 N 2.02 -0.70 0.00 8.31 0.00 -1.26 -5.12 105.19 108.44 1pms n GLY 451 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1pms n GLY 451 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pms n LYS 452 N -0.44 0.00 -4.17 1.61 2.85 -1.26 -5.19 118.16 111.56 1pms n LYS 452 Ca -0.22 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 56.93 1pms n LYS 452 Cb 0.62 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.91 1pms n LYS 452 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1pms s ASP 453 N 0.00 0.20 -0.12 -5.58 -4.77 -1.26 -4.74 116.67 100.39 1pms s ASP 453 Ca 0.00 -1.29 -0.14 0.00 -3.30 0.00 0.00 52.55 47.82 1pms s ASP 453 Cb 0.00 0.36 -0.05 0.00 -1.09 0.00 0.00 42.92 42.14 1pms s ASP 453 CO 0.00 -0.81 -0.27 -0.38 0.70 0.00 0.00 175.17 174.41 1pms n ILE 454 N -0.21 1.42 -0.91 2.11 5.41 -1.26 -4.97 119.36 120.96 1pms n ILE 454 Ca -0.01 0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.94 1pms n ILE 454 Cb 0.65 -2.17 0.00 0.00 -0.71 0.00 0.00 39.64 37.41 1pms n ILE 454 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pms n GLY 455 N 1.91 0.27 0.24 7.39 0.00 -0.67 -4.86 105.19 109.47 1pms n GLY 455 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1pms n GLY 455 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pms h GLN 456 N 0.67 -0.52 0.00 1.61 4.15 -1.93 -3.43 115.11 115.65 1pms h GLN 456 Ca 0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1pms h GLN 456 Cb 0.40 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1pms h GLN 456 CO 0.00 -0.30 -0.07 0.00 -1.93 0.00 0.00 178.83 176.53 1pms n ASN 459 N 1.12 -1.67 0.00 0.00 5.15 -1.26 -4.29 115.26 114.31 1pms n ASN 459 Ca -0.20 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 1pms n ASN 459 Cb 0.56 -0.84 0.00 0.00 -0.53 0.00 0.00 39.78 38.97 1pms n ASN 459 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1pms n GLU 460 N 0.03 1.08 0.00 1.20 0.28 -1.26 -1.68 120.64 120.30 1pms n GLU 460 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1pms n GLU 460 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1pms n GLU 460 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1pms n PHE 461 N 0.00 0.00 0.00 -1.84 1.16 -1.26 -4.45 117.46 111.07 1pms n PHE 461 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1pms n PHE 461 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1pms n PHE 461 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 1pms n ILE 462 N 0.00 0.00 -3.80 1.97 2.08 -1.26 -4.47 119.36 113.88 1pms n ILE 462 Ca 0.00 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 63.08 1pms n ILE 462 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 39.64 38.72 1pms n ILE 462 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1pms s MET 463 N 0.00 0.61 -0.31 0.38 -1.94 -1.19 -4.63 119.30 112.22 1pms s MET 463 Ca 0.00 0.10 -0.02 0.00 -1.71 0.00 0.00 55.69 54.06 1pms s MET 463 Cb 0.00 -0.95 0.12 0.00 2.01 0.00 0.00 34.83 36.01 1pms s MET 463 CO 0.00 -0.29 0.20 -1.21 -0.01 0.00 0.00 175.02 173.71 1pms s GLU 464 N 1.89 0.31 0.00 2.03 8.01 -1.26 -1.25 118.70 128.43 1pms s GLU 464 Ca 0.04 -0.60 0.00 0.00 0.01 0.00 0.00 54.97 54.42 1pms s GLU 464 Cb -0.12 -1.04 0.00 0.00 -4.31 0.00 0.00 34.13 28.66 1pms s GLU 464 CO -0.05 -1.07 0.00 0.41 0.01 0.00 0.00 175.26 174.56 1pms n GLY 465 N 4.99 -0.29 2.90 -1.39 0.00 -1.15 -4.75 105.19 105.49 1pms n GLY 465 Ca -0.01 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 1pms n GLY 465 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pms s THR 466 N 0.00 0.09 0.00 2.61 -4.23 -1.26 -2.27 115.64 110.58 1pms s THR 466 Ca 0.00 -0.11 -0.15 0.00 -1.18 0.00 0.00 61.69 60.25 1pms s THR 466 Cb 0.00 -0.09 0.02 0.00 1.34 0.00 0.00 72.50 73.77 1pms s THR 466 CO 0.00 -0.02 0.31 -0.22 -0.54 0.00 0.00 174.62 174.16 1pms s LEU 467 N -0.13 0.84 0.46 4.79 1.98 -1.07 -4.53 118.68 121.01 1pms s LEU 467 Ca -0.01 0.01 0.08 0.00 -2.89 0.00 0.00 54.13 51.32 1pms s LEU 467 Cb -0.01 1.31 0.00 0.00 0.66 0.00 0.00 46.19 48.16 1pms s LEU 467 CO -0.00 -0.50 0.45 0.28 -1.89 0.00 0.00 176.35 174.69 1pms s THR 468 N -1.69 2.48 -0.46 3.68 -1.32 -0.17 -2.21 115.64 115.95 1pms s THR 468 Ca -0.11 -1.29 -0.01 0.00 -1.21 0.00 0.00 61.69 59.07 1pms s THR 468 Cb -0.04 -2.77 0.33 0.00 -1.51 0.00 0.00 72.50 68.51 1pms s THR 468 CO 0.02 0.00 2.00 -2.11 -2.21 0.00 0.00 174.62 172.32 1pms n ARG 469 N -1.69 2.17 -0.84 7.08 0.00 -1.26 -1.19 116.66 120.93 1pms n ARG 469 Ca 0.05 -2.31 0.09 0.00 -0.00 0.00 0.00 57.85 55.67 1pms n ARG 469 Cb 0.62 -1.91 -0.03 0.00 -0.00 0.00 0.00 32.46 31.14 1pms n ARG 469 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1pms n VAL 470 N -0.24 0.00 -3.80 8.89 3.14 -1.19 -4.58 118.33 120.55 1pms n VAL 470 Ca 0.44 0.14 -0.29 0.00 -2.96 0.00 0.00 64.34 61.68 1pms n VAL 470 Cb 0.67 -0.37 -0.05 0.00 -1.06 0.00 0.00 33.84 33.03 1pms n VAL 470 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pms n GLY 471 N -2.75 -0.40 3.36 7.55 0.00 -1.26 -4.84 105.19 106.85 1pms n GLY 471 Ca -0.01 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1pms n GLY 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pms s ALA 472 N -2.76 -1.20 -0.03 4.61 0.00 -1.26 -5.05 121.76 116.07 1pms s ALA 472 Ca 0.56 0.22 0.11 0.00 0.00 0.00 0.00 51.96 52.86 1pms s ALA 472 Cb -0.33 0.71 -0.17 0.00 0.00 0.00 0.00 23.12 23.33 1pms s ALA 472 CO 0.69 -0.66 0.22 1.63 0.00 0.00 0.00 175.76 177.64 1pms n LYS 473 N -0.17 0.61 -3.27 0.00 5.02 -1.26 -4.84 118.16 114.24 1pms n LYS 473 Ca -0.17 -0.09 -0.46 0.00 -2.02 0.00 0.00 58.31 55.57 1pms n LYS 473 Cb 0.64 -1.27 -0.05 0.00 -0.02 0.00 0.00 35.03 34.33 1pms n LYS 473 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1pms s HIS 474 N -2.72 3.27 0.05 2.13 3.76 -1.26 -5.05 115.29 115.47 1pms s HIS 474 Ca -0.04 -1.32 -0.01 0.00 -0.15 0.00 0.00 55.06 53.54 1pms s HIS 474 Cb 0.07 -3.84 0.01 0.00 1.11 0.00 0.00 32.58 29.92 1pms s HIS 474 CO 0.47 -1.07 0.06 -0.85 -0.85 0.00 0.00 174.74 172.51 1pms n GLU 475 N 5.29 0.07 -3.87 1.40 0.28 -1.26 -4.78 120.64 117.76 1pms n GLU 475 Ca -0.09 -0.11 -0.09 0.00 -0.16 0.00 0.00 57.16 56.70 1pms n GLU 475 Cb 0.41 -0.06 -0.07 0.00 1.43 0.00 0.00 31.44 33.15 1pms n GLU 475 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1pms s ARG 476 N -3.02 0.92 0.52 3.44 3.03 -0.94 -4.95 118.95 117.95 1pms s ARG 476 Ca 0.04 -1.00 -0.22 0.00 2.03 0.00 0.00 55.73 56.58 1pms s ARG 476 Cb -0.00 0.36 -0.07 0.00 -1.03 0.00 0.00 34.95 34.21 1pms s ARG 476 CO 0.03 -0.31 1.17 0.72 -1.13 0.00 0.00 175.30 175.78 1pms n HIS 477 N -0.10 1.66 -3.99 5.89 8.25 -0.95 -2.59 115.22 123.39 1pms n HIS 477 Ca -0.13 0.47 -0.11 0.00 -0.26 0.00 0.00 57.72 57.69 1pms n HIS 477 Cb 0.63 -2.28 -0.12 0.00 1.12 0.00 0.00 29.99 29.34 1pms n HIS 477 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pms s ILE 478 N -1.33 0.20 -0.30 1.59 -1.09 -0.96 -1.67 121.20 117.64 1pms s ILE 478 Ca 0.69 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 1pms s ILE 478 Cb -0.46 -0.30 0.14 0.00 -1.58 0.00 0.00 42.46 40.26 1pms s ILE 478 CO 0.52 -0.37 0.31 -0.36 -1.23 0.00 0.00 174.94 173.81 1pms s PHE 479 N -1.16 -0.50 -0.14 3.97 0.08 -0.76 -2.94 117.98 116.53 1pms s PHE 479 Ca -0.11 -0.19 -0.13 0.00 0.12 0.00 0.00 56.93 56.61 1pms s PHE 479 Cb -0.08 -0.43 -0.05 0.00 -0.57 0.00 0.00 43.02 41.89 1pms s PHE 479 CO -0.01 -0.93 0.29 -1.17 -0.10 0.00 0.00 175.22 173.30 1pms s LEU 480 N 2.30 4.28 -0.86 -0.37 0.20 -0.38 -1.52 118.68 122.31 1pms s LEU 480 Ca 0.10 0.55 0.01 0.00 0.69 0.00 0.00 54.13 55.48 1pms s LEU 480 Cb -0.14 -2.37 0.32 0.00 -0.43 0.00 0.00 46.19 43.57 1pms s LEU 480 CO -0.30 0.14 1.42 0.33 -0.29 0.00 0.00 176.35 177.66 1pms n PHE 481 N 3.28 3.18 -0.93 5.38 7.35 -0.41 -3.17 117.46 132.14 1pms n PHE 481 Ca -0.13 -3.14 -0.02 0.00 -0.76 0.00 0.00 57.45 53.40 1pms n PHE 481 Cb 0.52 -0.93 -0.01 0.00 0.35 0.00 0.00 39.48 39.41 1pms n PHE 481 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1pms n ASP 482 N 0.13 -0.57 0.00 -2.13 5.68 -1.26 -3.08 116.55 115.33 1pms n ASP 482 Ca 0.38 0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 1pms n ASP 482 Cb 0.32 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 39.38 1pms n ASP 482 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pms n GLY 483 N -0.02 0.03 3.19 6.12 0.00 -1.03 -4.64 105.19 108.84 1pms n GLY 483 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1pms n GLY 483 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pms s LEU 484 N 0.00 4.55 -0.54 0.99 2.96 -1.18 0.14 118.68 125.61 1pms s LEU 484 Ca 0.00 -1.49 -0.22 0.00 -0.22 0.00 0.00 54.13 52.19 1pms s LEU 484 Cb 0.00 -1.82 0.05 0.00 0.50 0.00 0.00 46.19 44.92 1pms s LEU 484 CO 0.00 -0.39 0.84 -0.32 -1.32 0.00 0.00 176.35 175.15 1pms s MET 485 N 1.28 3.26 0.25 1.98 -2.45 -1.05 -1.29 119.30 121.28 1pms s MET 485 Ca 0.01 -0.48 0.05 0.00 -1.25 0.00 0.00 55.69 54.02 1pms s MET 485 Cb -0.21 -4.07 -0.03 0.00 1.25 0.00 0.00 34.83 31.77 1pms s MET 485 CO -0.01 -1.40 0.35 0.42 1.05 0.00 0.00 175.02 175.44 1pms s ILE 486 N 3.50 5.05 0.05 10.11 1.01 -0.58 -0.93 121.20 139.42 1pms s ILE 486 Ca 0.25 -1.04 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 1pms s ILE 486 Cb -0.15 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.57 1pms s ILE 486 CO 0.17 -0.31 0.29 0.00 0.00 0.00 0.00 174.94 175.08 1pms n LYS 489 N 4.58 0.00 -2.95 0.00 0.00 -0.89 -2.24 118.16 116.66 1pms n LYS 489 Ca -0.19 0.00 -0.19 0.00 0.00 0.00 0.00 58.31 57.93 1pms n LYS 489 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.58 1pms n LYS 489 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1pms s SER 490 N 0.00 5.33 -0.36 3.14 0.01 -1.26 -4.53 113.70 116.03 1pms s SER 490 Ca 0.00 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.75 1pms s SER 490 Cb 0.00 -0.31 0.15 0.00 0.21 0.00 0.00 66.02 66.07 1pms s SER 490 CO 0.00 -1.08 0.26 0.21 0.41 0.00 0.00 173.24 173.04 1pms s ASN 491 N -4.49 2.40 -1.14 2.44 2.47 -1.26 -4.90 114.94 110.46 1pms s ASN 491 Ca 0.58 -2.11 -0.19 0.00 0.42 0.00 0.00 52.86 51.57 1pms s ASN 491 Cb -0.08 -0.16 0.09 0.00 -1.45 0.00 0.00 41.25 39.66 1pms s ASN 491 CO 0.36 -0.29 1.49 -2.28 -3.72 0.00 0.00 177.10 172.67 1pms s HIS 492 N 1.08 2.91 0.00 0.43 5.65 -1.26 -3.88 115.29 120.22 1pms s HIS 492 Ca 0.19 -1.46 0.00 0.00 0.25 0.00 0.00 55.06 54.04 1pms s HIS 492 Cb -0.19 -4.57 0.00 0.00 -1.18 0.00 0.00 32.58 26.63 1pms s HIS 492 CO -0.01 -1.71 0.00 0.41 -0.65 0.00 0.00 174.74 172.77 1pms n GLY 493 N 5.60 2.98 3.74 1.59 0.00 -1.26 -5.05 105.19 112.80 1pms n GLY 493 Ca 0.38 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 1pms n GLY 493 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pms s GLN 494 N -5.46 2.70 0.00 1.61 -1.52 -1.26 -5.00 119.66 110.73 1pms s GLN 494 Ca 0.00 1.92 0.00 0.00 -1.95 0.00 0.00 55.36 55.33 1pms s GLN 494 Cb 0.00 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 30.91 1pms s GLN 494 CO 0.00 -1.44 0.01 -0.35 -0.25 0.00 0.00 175.29 173.25 1pms n PRO 495 N -1.85 0.00 0.00 2.91 -0.04 -1.26 -4.69 135.00 130.07 1pms n PRO 495 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1pms n PRO 495 Cb 0.49 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1pms n PRO 495 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pms n ARG 496 N -0.07 0.00 -3.60 0.54 1.74 -1.26 -4.88 116.66 109.13 1pms n ARG 496 Ca 0.00 0.44 -0.12 0.00 -0.77 0.00 0.00 57.85 57.39 1pms n ARG 496 Cb 0.00 -1.15 -0.06 0.00 -1.02 0.00 0.00 32.46 30.22 1pms n ARG 496 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1pms s LEU 497 N -2.67 -0.55 0.58 0.55 2.34 -1.26 -5.16 118.68 112.51 1pms s LEU 497 Ca 0.00 0.86 -0.14 0.00 0.06 0.00 0.00 54.13 54.91 1pms s LEU 497 Cb 0.00 2.15 -0.05 0.00 -0.56 0.00 0.00 46.19 47.73 1pms s LEU 497 CO 0.00 -0.32 1.02 -2.16 -1.06 0.00 0.00 176.35 173.83 1pms s PRO 498 N -0.35 3.63 0.00 1.48 0.04 -1.26 -3.99 135.00 134.55 1pms s PRO 498 Ca -0.02 0.93 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1pms s PRO 498 Cb -0.03 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1pms s PRO 498 CO 0.01 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1pms n GLY 499 N -1.90 3.12 0.00 0.56 0.00 -1.26 -4.79 105.19 100.93 1pms n GLY 499 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1pms n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pms n ALA 500 N -1.01 2.51 -2.87 4.61 0.00 -1.26 -5.00 120.51 117.50 1pms n ALA 500 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 1pms n ALA 500 Cb 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 1pms n ALA 500 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pms s SER 501 N -3.18 6.20 -0.52 0.00 0.01 -1.26 -5.07 113.70 109.89 1pms s SER 501 Ca -0.03 0.00 0.06 0.00 1.31 0.00 0.00 55.95 57.28 1pms s SER 501 Cb 0.07 -1.71 0.20 0.00 0.21 0.00 0.00 66.02 64.79 1pms s SER 501 CO 0.47 -0.14 0.49 -0.24 0.41 0.00 0.00 173.24 174.23 1pms n SER 502 N -1.44 1.24 -3.17 2.44 2.88 -1.26 -5.04 113.62 109.27 1pms n SER 502 Ca -0.07 -2.83 0.04 0.00 -1.33 0.00 0.00 58.87 54.67 1pms n SER 502 Cb 0.57 -0.64 -0.04 0.00 -0.75 0.00 0.00 64.21 63.35 1pms n SER 502 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pms s ALA 503 N -1.04 -3.34 0.80 -1.46 0.00 -1.26 -5.17 121.76 110.28 1pms s ALA 503 Ca 0.33 1.76 -0.04 0.00 0.00 0.00 0.00 51.96 54.01 1pms s ALA 503 Cb 0.07 -2.32 0.16 0.00 0.00 0.00 0.00 23.12 21.03 1pms s ALA 503 CO -0.14 -0.99 1.10 -1.21 0.00 0.00 0.00 175.76 174.52 1pms s GLU 504 N 2.05 1.27 0.52 0.00 2.02 -1.26 -5.00 118.70 118.31 1pms s GLU 504 Ca 0.00 -1.08 -0.19 0.00 0.02 0.00 0.00 54.97 53.72 1pms s GLU 504 Cb -0.01 -2.21 -0.11 0.00 0.10 0.00 0.00 34.13 31.90 1pms s GLU 504 CO -0.16 -1.79 0.37 2.48 0.02 0.00 0.00 175.26 176.19 1pms n TYR 505 N -3.10 -1.17 -4.21 1.61 4.11 -1.25 -4.93 117.16 108.21 1pms n TYR 505 Ca 0.17 0.48 -0.12 0.00 -0.00 0.00 0.00 57.90 58.43 1pms n TYR 505 Cb 0.60 -1.90 -0.10 0.00 -0.00 0.00 0.00 39.34 37.95 1pms n TYR 505 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1pms s ARG 506 N -1.70 1.23 0.00 -3.48 3.52 -1.26 -4.90 118.95 112.36 1pms s ARG 506 Ca 0.65 -1.65 0.00 0.00 -0.13 0.00 0.00 55.73 54.60 1pms s ARG 506 Cb -0.50 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.12 1pms s ARG 506 CO 0.58 -0.39 0.00 1.28 -0.81 0.00 0.00 175.30 175.96 1pms n LEU 507 N -0.29 0.44 -3.75 -0.88 4.77 -1.26 -4.09 117.00 111.94 1pms n LEU 507 Ca 0.02 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 1pms n LEU 507 Cb 0.66 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1pms n LEU 507 CO 0.33 -0.40 0.03 -1.59 -1.33 0.00 0.00 177.39 174.43 1pms s LYS 508 N -0.80 0.83 0.42 3.23 0.00 -1.26 -2.10 119.74 120.05 1pms s LYS 508 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 55.97 55.49 1pms s LYS 508 Cb 0.00 0.36 -0.06 0.00 0.00 0.00 0.00 37.83 38.13 1pms s LYS 508 CO 0.00 -0.27 0.02 -1.83 0.00 0.00 0.00 175.35 173.27 1pms s GLU 509 N -2.68 1.97 0.05 1.78 -1.05 -1.00 -4.97 118.70 112.81 1pms s GLU 509 Ca -0.04 -2.15 -0.13 0.00 -0.15 0.00 0.00 54.97 52.50 1pms s GLU 509 Cb -0.00 -1.48 0.02 0.00 -0.44 0.00 0.00 34.13 32.23 1pms s GLU 509 CO -0.04 -0.15 0.29 -1.59 0.95 0.00 0.00 175.26 174.71 1pms s LYS 510 N -3.77 0.82 0.14 -4.83 0.00 -1.26 -1.56 119.74 109.27 1pms s LYS 510 Ca 0.28 -0.57 0.02 0.00 0.00 0.00 0.00 55.97 55.70 1pms s LYS 510 Cb 0.08 0.35 -0.01 0.00 0.00 0.00 0.00 37.83 38.25 1pms s LYS 510 CO 0.14 -0.26 0.14 1.19 0.00 0.00 0.00 175.35 176.56 1pms n PHE 511 N 0.48 -0.47 -3.72 1.78 3.01 -0.10 -4.98 117.46 113.46 1pms n PHE 511 Ca -0.18 -1.14 -0.35 0.00 1.01 0.00 0.00 57.45 56.79 1pms n PHE 511 Cb 0.60 0.15 -0.09 0.00 -0.01 0.00 0.00 39.48 40.13 1pms n PHE 511 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1pms s PHE 512 N -2.96 3.61 -1.25 1.38 0.40 -1.26 -2.52 117.98 115.38 1pms s PHE 512 Ca 0.16 -2.94 -0.11 0.00 -0.60 0.00 0.00 56.93 53.43 1pms s PHE 512 Cb 0.01 -3.14 0.17 0.00 0.51 0.00 0.00 43.02 40.57 1pms s PHE 512 CO 0.11 -0.76 1.68 -0.12 0.70 0.00 0.00 175.22 176.84 1pms n MET 513 N 2.81 3.53 0.00 0.44 1.56 0.37 -4.42 117.12 121.41 1pms n MET 513 Ca 0.15 -3.69 0.00 0.00 -0.27 0.00 0.00 57.70 53.89 1pms n MET 513 Cb 0.37 -2.96 0.00 0.00 2.15 0.00 0.00 33.22 32.77 1pms n MET 513 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1pms n ARG 514 N 4.56 0.31 -1.16 2.12 3.00 -1.24 -2.47 116.66 121.78 1pms n ARG 514 Ca 0.38 0.00 -0.20 0.00 -0.01 0.00 0.00 57.85 58.02 1pms n ARG 514 Cb 0.39 -0.81 0.17 0.00 0.00 0.00 0.00 32.46 32.21 1pms n ARG 514 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1pms n LYS 515 N -2.03 2.25 -2.93 5.56 -0.00 -1.26 -4.79 118.16 114.96 1pms n LYS 515 Ca 0.00 -3.14 -0.26 0.00 -0.00 0.00 0.00 58.31 54.91 1pms n LYS 515 Cb 0.31 -2.10 -0.00 0.00 -0.00 0.00 0.00 35.03 33.23 1pms n LYS 515 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1pms s VAL 516 N -3.55 4.85 -0.03 0.58 -7.23 -1.26 -4.61 120.40 109.15 1pms s VAL 516 Ca 0.55 -0.11 -0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1pms s VAL 516 Cb 0.46 -3.81 0.03 0.00 0.56 0.00 0.00 36.38 33.62 1pms s VAL 516 CO 0.06 -0.68 0.02 -1.10 -0.31 0.00 0.00 175.10 173.09 1pms s GLN 517 N -4.58 0.11 0.24 4.82 -0.21 -1.25 -4.79 119.66 114.00 1pms s GLN 517 Ca 0.45 0.17 -0.12 0.00 0.02 0.00 0.00 55.36 55.88 1pms s GLN 517 Cb -0.10 -0.41 -0.08 0.00 1.00 0.00 0.00 33.01 33.42 1pms s GLN 517 CO 0.41 -0.19 0.61 -1.50 -2.12 0.00 0.00 175.29 172.50 1pms s ILE 518 N 1.27 4.83 -0.36 1.08 2.07 -1.26 -2.51 121.20 126.33 1pms s ILE 518 Ca -0.06 0.70 -0.00 0.00 -1.41 0.00 0.00 60.65 59.87 1pms s ILE 518 Cb -0.13 -3.64 0.12 0.00 0.13 0.00 0.00 42.46 38.94 1pms s ILE 518 CO -0.03 -0.04 0.18 0.20 -1.91 0.00 0.00 174.94 173.35 1pms s ASN 519 N -2.20 3.47 0.87 4.50 -0.87 -0.19 -4.92 114.94 115.59 1pms s ASN 519 Ca 0.48 -2.06 -0.11 0.00 -1.57 0.00 0.00 52.86 49.59 1pms s ASN 519 Cb -0.12 -0.67 0.12 0.00 -0.02 0.00 0.00 41.25 40.56 1pms s ASN 519 CO 0.20 -0.34 1.17 -0.62 -2.57 0.00 0.00 177.10 174.94 1pms s ASP 520 N 1.14 3.23 -0.17 -1.22 2.15 -1.26 -3.00 116.67 117.53 1pms s ASP 520 Ca 0.15 2.26 -0.08 0.00 0.43 0.00 0.00 52.55 55.30 1pms s ASP 520 Cb -0.21 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.79 1pms s ASP 520 CO -0.10 -2.90 0.11 -0.54 -0.17 0.00 0.00 175.17 171.57 1pms s LYS 521 N -4.44 3.91 -0.03 4.34 -0.14 -1.26 -4.75 119.74 117.37 1pms s LYS 521 Ca 0.69 -0.23 -0.03 0.00 -1.36 0.00 0.00 55.97 55.04 1pms s LYS 521 Cb -0.25 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.61 1pms s LYS 521 CO 0.55 0.43 0.04 -0.25 -0.76 0.00 0.00 175.35 175.36 1pms n ASP 522 N 3.09 -5.03 -4.49 2.83 8.00 -1.26 -4.47 116.55 115.22 1pms n ASP 522 Ca -0.17 0.27 -0.54 0.00 0.71 0.00 0.00 54.79 55.06 1pms n ASP 522 Cb 0.53 -1.22 -0.06 0.00 -0.02 0.00 0.00 41.12 40.35 1pms n ASP 522 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1pms n ASP 523 N 1.23 -0.06 -3.73 -2.24 5.75 -1.26 -4.69 116.55 111.54 1pms n ASP 523 Ca -0.01 1.15 -0.13 0.00 -0.01 0.00 0.00 54.79 55.79 1pms n ASP 523 Cb 0.40 -0.99 -0.10 0.00 -1.03 0.00 0.00 41.12 39.41 1pms n ASP 523 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1pms s THR 524 N -0.29 0.01 -0.02 2.12 -4.23 -1.26 -4.95 115.64 107.02 1pms s THR 524 Ca 0.80 -0.12 0.25 0.00 -1.18 0.00 0.00 61.69 61.45 1pms s THR 524 Cb -1.09 -0.60 0.25 0.00 1.34 0.00 0.00 72.50 72.40 1pms s THR 524 CO 0.55 -0.06 1.76 0.28 -0.54 0.00 0.00 174.62 176.61 1pms h SER 525 N 4.98 0.00 0.00 3.99 0.02 -2.01 0.47 113.55 121.00 1pms h SER 525 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1pms h SER 525 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1pms h SER 525 CO 0.29 0.00 -1.16 -0.62 -1.14 0.00 0.00 176.83 174.20 1pms n GLU 526 N -2.39 1.45 -1.74 3.45 1.02 -1.26 -5.10 120.64 116.06 1pms n GLU 526 Ca -0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1pms n GLU 526 Cb 0.07 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1pms n GLU 526 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1pms n TYR 527 N -1.67 -4.57 -0.02 -0.32 4.02 0.15 -4.73 117.16 110.03 1pms n TYR 527 Ca -0.00 2.39 -0.02 0.00 -0.01 0.00 0.00 57.90 60.25 1pms n TYR 527 Cb 0.27 -3.58 -0.01 0.00 -0.02 0.00 0.00 39.34 35.99 1pms n TYR 527 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1pms h LYS 528 N 2.63 -0.06 0.00 -0.72 1.79 -1.84 -3.46 116.57 114.91 1pms h LYS 528 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pms h LYS 528 Cb 0.00 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1pms h LYS 528 CO 0.00 -0.04 0.00 1.58 -1.08 0.00 0.00 179.45 179.91 1pms n HIS 529 N -3.10 0.00 -3.11 -1.35 -0.00 -1.26 -5.15 115.22 101.25 1pms n HIS 529 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1pms n HIS 529 Cb 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 1pms n HIS 529 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1pms n ALA 530 N 0.00 0.00 -3.04 1.57 0.00 -1.26 -4.41 120.51 113.38 1pms n ALA 530 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1pms n ALA 530 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1pms n ALA 530 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pms s PHE 531 N 0.16 -0.13 -0.29 0.00 0.08 -1.17 -4.65 117.98 111.98 1pms s PHE 531 Ca 0.00 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.07 1pms s PHE 531 Cb 0.00 0.12 0.06 0.00 -0.57 0.00 0.00 43.02 42.62 1pms s PHE 531 CO 0.00 -0.51 -0.04 -1.83 -0.10 0.00 0.00 175.22 172.73 1pms s GLU 532 N -2.53 2.31 0.30 0.44 -1.05 -1.16 -2.88 118.70 114.13 1pms s GLU 532 Ca -0.05 -1.33 0.04 0.00 -0.15 0.00 0.00 54.97 53.47 1pms s GLU 532 Cb -0.01 -3.06 -0.03 0.00 -0.44 0.00 0.00 34.13 30.59 1pms s GLU 532 CO -0.03 -0.62 0.45 0.42 0.95 0.00 0.00 175.26 176.43 1pms s ILE 533 N 1.17 4.98 0.08 1.83 1.09 -1.05 -1.02 121.20 128.28 1pms s ILE 533 Ca -0.06 -0.80 0.05 0.00 -1.10 0.00 0.00 60.65 58.74 1pms s ILE 533 Cb -0.20 -3.78 -0.03 0.00 -1.06 0.00 0.00 42.46 37.39 1pms s ILE 533 CO -0.03 -0.38 -0.13 -0.63 -0.10 0.00 0.00 174.94 173.67 1pms s ILE 534 N -2.14 1.05 0.48 2.92 1.01 -1.04 0.37 121.20 123.84 1pms s ILE 534 Ca 0.38 -1.40 -0.03 0.00 0.00 0.00 0.00 60.65 59.60 1pms s ILE 534 Cb -0.09 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 1pms s ILE 534 CO 0.32 -0.33 0.75 -0.76 0.00 0.00 0.00 174.94 174.92 1pms s LEU 535 N -1.96 3.62 -0.17 2.97 1.43 -0.74 -3.80 118.68 120.02 1pms s LEU 535 Ca 0.00 0.69 0.13 0.00 -1.03 0.00 0.00 54.13 53.92 1pms s LEU 535 Cb -0.08 -3.59 0.69 0.00 0.03 0.00 0.00 46.19 43.24 1pms s LEU 535 CO 0.02 -0.65 1.56 2.29 0.23 0.00 0.00 176.35 179.80 1pms n LYS 536 N -2.21 4.07 -0.07 1.70 2.85 -1.26 -4.26 118.16 118.97 1pms n LYS 536 Ca 0.01 -2.66 -0.16 0.00 -1.05 0.00 0.00 58.31 54.45 1pms n LYS 536 Cb 0.56 -2.06 -0.05 0.00 -0.65 0.00 0.00 35.03 32.83 1pms n LYS 536 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1pms n ASP 537 N 0.68 1.04 0.00 -5.58 2.03 -1.26 -5.02 116.55 108.45 1pms n ASP 537 Ca 0.24 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1pms n ASP 537 Cb 0.98 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1pms n ASP 537 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pms n GLY 538 N 2.08 0.00 0.41 0.27 0.00 -1.26 -5.17 105.19 101.52 1pms n GLY 538 Ca -0.29 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 1pms n GLY 538 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pms n ASN 539 N 0.00 0.15 -3.74 1.61 4.13 -1.26 -5.02 115.26 111.13 1pms n ASN 539 Ca 0.00 -1.28 -0.16 0.00 1.68 0.00 0.00 54.58 54.82 1pms n ASN 539 Cb 0.00 0.19 -0.16 0.00 -1.54 0.00 0.00 39.78 38.27 1pms n ASN 539 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1pms s SER 540 N -1.30 0.31 -1.21 6.41 0.01 -1.26 -1.80 113.70 114.87 1pms s SER 540 Ca 0.04 0.12 -0.07 0.00 1.31 0.00 0.00 55.95 57.35 1pms s SER 540 Cb 0.00 -0.02 0.22 0.00 0.21 0.00 0.00 66.02 66.43 1pms s SER 540 CO 0.03 -0.17 1.80 0.52 0.41 0.00 0.00 173.24 175.83 1pms n VAL 541 N 4.51 4.86 -3.18 3.43 0.31 0.16 -4.87 118.33 123.55 1pms n VAL 541 Ca -0.21 -4.98 -0.39 0.00 -0.01 0.00 0.00 64.34 58.75 1pms n VAL 541 Cb 0.50 -2.20 -0.06 0.00 -0.91 0.00 0.00 33.84 31.18 1pms n VAL 541 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1pms s ILE 542 N -1.06 5.08 0.35 2.52 1.01 -1.25 -2.54 121.20 125.32 1pms s ILE 542 Ca 0.38 1.14 0.04 0.00 0.00 0.00 0.00 60.65 62.21 1pms s ILE 542 Cb 0.09 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.64 1pms s ILE 542 CO 0.02 0.20 0.16 2.22 0.00 0.00 0.00 174.94 177.54 1pms n PHE 543 N 4.41 -0.05 -3.60 3.97 -1.74 -1.14 -3.18 117.46 116.13 1pms n PHE 543 Ca -0.03 -2.39 -0.09 0.00 -0.56 0.00 0.00 57.45 54.38 1pms n PHE 543 Cb 0.51 0.05 -0.09 0.00 1.52 0.00 0.00 39.48 41.46 1pms n PHE 543 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1pms s SER 544 N -3.22 -0.12 0.33 5.98 0.15 -0.33 -3.04 113.70 113.46 1pms s SER 544 Ca 0.22 0.81 -0.26 0.00 0.70 0.00 0.00 55.95 57.42 1pms s SER 544 Cb 0.01 1.26 -0.10 0.00 -1.71 0.00 0.00 66.02 65.48 1pms s SER 544 CO 0.16 -0.25 0.99 0.00 1.20 0.00 0.00 173.24 175.34 1pms s ALA 545 N 2.59 3.22 -0.11 5.45 0.00 -1.26 -1.00 121.76 130.64 1pms s ALA 545 Ca 0.01 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 1pms s ALA 545 Cb -0.13 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1pms s ALA 545 CO -0.13 0.04 2.56 1.63 0.00 0.00 0.00 175.76 179.86 1pms n LYS 546 N 0.57 1.60 -3.80 0.00 4.76 -1.26 -4.58 118.16 115.44 1pms n LYS 546 Ca 0.02 -0.85 -0.01 0.00 -2.87 0.00 0.00 58.31 54.60 1pms n LYS 546 Cb 0.49 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1pms n LYS 546 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1pms s SER 547 N 1.47 -0.05 -0.08 4.39 0.01 -1.26 -4.99 113.70 113.19 1pms s SER 547 Ca 0.32 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 57.26 1pms s SER 547 Cb 0.18 0.35 -0.24 0.00 0.21 0.00 0.00 66.02 66.52 1pms s SER 547 CO -0.03 -0.68 0.53 0.00 0.41 0.00 0.00 173.24 173.47 1pms n ALA 548 N -0.63 1.32 0.10 1.44 0.00 -1.26 -2.94 120.51 118.55 1pms n ALA 548 Ca -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 53.44 52.65 1pms n ALA 548 Cb 0.60 -0.75 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 1pms n ALA 548 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1pms h GLU 549 N 0.02 0.00 0.20 0.00 4.11 -1.97 -3.07 114.58 113.87 1pms h GLU 549 Ca -0.35 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.77 1pms h GLU 549 Cb 2.03 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.31 1pms h GLU 549 CO 0.08 0.48 -1.39 0.93 0.07 0.00 0.00 179.01 179.18 1pms h GLU 550 N 0.00 0.48 -0.59 1.06 4.39 -1.94 -1.76 114.58 116.22 1pms h GLU 550 Ca -0.05 -0.79 -0.07 0.00 0.34 0.00 0.00 59.36 58.79 1pms h GLU 550 Cb 1.47 0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 30.39 1pms h GLU 550 CO 0.07 1.37 0.10 1.57 -1.16 0.00 0.00 179.01 180.96 1pms h LYS 551 N 0.14 0.98 -0.00 2.33 5.09 -1.61 -1.70 116.57 121.80 1pms h LYS 551 Ca -0.21 -0.26 0.00 0.00 0.09 0.00 0.00 60.65 60.27 1pms h LYS 551 Cb 2.08 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 34.30 1pms h LYS 551 CO 0.25 0.92 -0.03 0.09 -2.09 0.00 0.00 179.45 178.60 1pms n ASN 552 N -4.31 0.03 0.00 7.07 4.13 -1.16 -2.94 115.26 118.07 1pms n ASN 552 Ca 0.03 0.45 -0.06 0.00 1.68 0.00 0.00 54.58 56.69 1pms n ASN 552 Cb 0.27 -0.46 -0.04 0.00 -1.54 0.00 0.00 39.78 38.01 1pms n ASN 552 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 1pms h ASN 553 N 0.00 -0.10 -0.45 6.41 -0.73 -0.39 -2.96 115.58 117.36 1pms h ASN 553 Ca 0.00 -0.24 -0.06 0.00 1.87 0.00 0.00 56.30 57.87 1pms h ASN 553 Cb 0.50 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.09 1pms h ASN 553 CO 0.00 0.49 0.07 -0.50 -0.37 0.00 0.00 177.43 177.12 1pms h TRP 554 N -1.00 0.85 -0.90 0.67 4.06 -1.57 -1.90 115.95 116.17 1pms h TRP 554 Ca -0.01 -0.10 0.12 0.00 2.06 0.00 0.00 58.89 60.96 1pms h TRP 554 Cb 0.33 -0.24 -0.08 0.00 -1.00 0.00 0.00 29.16 28.17 1pms h TRP 554 CO 0.06 0.75 0.52 1.98 -3.56 0.00 0.00 178.44 178.20 1pms h MET 555 N 0.78 0.80 -0.02 0.49 1.85 -1.64 -1.17 114.93 116.01 1pms h MET 555 Ca 0.16 -0.05 -0.20 0.00 -0.61 0.00 0.00 59.70 59.01 1pms h MET 555 Cb 0.37 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 1pms h MET 555 CO 0.01 0.53 -0.83 0.00 -0.40 0.00 0.00 176.91 176.21 1pms h ALA 556 N 1.51 0.52 0.00 0.39 0.00 -1.22 -2.91 119.26 117.55 1pms h ALA 556 Ca 0.45 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1pms h ALA 556 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pms h ALA 556 CO -0.28 0.83 0.00 0.00 0.00 0.00 0.00 179.25 179.80 1pms h ALA 557 N 0.91 1.00 0.00 0.00 0.00 -0.47 0.25 119.26 120.95 1pms h ALA 557 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pms h ALA 557 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1pms h ALA 557 CO 0.14 0.00 -0.25 -0.07 0.00 0.00 0.00 179.25 179.07 1pms h LEU 558 N 0.00 0.00 -0.36 0.00 3.38 -1.25 -3.32 115.31 113.76 1pms h LEU 558 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pms h LEU 558 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1pms h LEU 558 CO 0.00 0.54 0.00 -0.38 0.09 0.00 0.00 178.44 178.69 1pms n ILE 559 N -4.25 1.37 0.08 1.22 -0.00 -1.16 -1.26 119.36 115.37 1pms n ILE 559 Ca -0.04 0.43 -0.04 0.00 -0.00 0.00 0.00 62.75 63.11 1pms n ILE 559 Cb 0.13 -1.35 0.17 0.00 -0.00 0.00 0.00 39.64 38.59 1pms n ILE 559 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 1pms h SER 560 N 0.00 0.28 0.58 4.38 0.87 -0.61 -2.44 113.55 116.60 1pms h SER 560 Ca 0.00 -0.14 -0.25 0.00 -1.23 0.00 0.00 61.79 60.17 1pms h SER 560 Cb 0.12 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1pms h SER 560 CO 0.00 0.74 -1.59 -0.07 -0.53 0.00 0.00 176.83 175.38 1pms h LEU 561 N 0.20 0.00 -0.58 2.23 3.38 -1.28 -3.32 115.31 115.95 1pms h LEU 561 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1pms h LEU 561 Cb 0.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1pms h LEU 561 CO 0.08 0.86 0.13 -0.61 0.09 0.00 0.00 178.44 178.99 1pms h GLN 562 N 0.00 0.94 0.06 1.13 -0.00 -1.32 0.34 115.11 116.25 1pms h GLN 562 Ca -0.24 -0.23 -0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1pms h GLN 562 Cb 1.87 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 29.23 1pms h GLN 562 CO 0.07 0.88 -0.03 0.10 0.00 0.00 0.00 178.83 179.85 1pms h TYR 563 N 0.84 -0.07 0.07 3.99 -0.00 -1.59 -3.35 116.97 116.86 1pms h TYR 563 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.90 1pms h TYR 563 Cb 0.37 0.02 0.00 0.00 0.00 0.00 0.00 36.73 37.13 1pms h TYR 563 CO 0.03 0.26 -0.04 0.07 -0.00 0.00 0.00 178.16 178.48 1pms h ARG 564 N -0.41 -0.10 0.00 0.10 -0.00 -1.64 -3.52 114.38 108.81 1pms h ARG 564 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1pms h ARG 564 Cb 0.36 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.36 1pms h ARG 564 CO 0.01 -0.06 0.00 0.45 -0.00 0.00 0.00 179.97 180.37