#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 3.49 -0.15 -1.46 4.76 -1.26 -4.62 118.16 118.92 1pms n LYS 432 Ca 0.00 -3.27 0.02 0.00 -2.87 0.00 0.00 58.31 52.19 1pms n LYS 432 Cb 0.00 -2.34 0.08 0.00 -1.84 0.00 0.00 35.03 30.93 1pms n LYS 432 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pms n GLN 433 N 0.56 1.64 0.30 1.97 10.64 -1.26 -4.00 117.38 127.22 1pms n GLN 433 Ca 0.53 -0.60 0.19 0.00 -1.83 0.00 0.00 57.00 55.29 1pms n GLN 433 Cb 0.36 -1.47 0.98 0.00 -0.86 0.00 0.00 30.24 29.25 1pms n GLN 433 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1pms h LEU 434 N 0.83 0.00 0.06 2.61 3.38 -2.00 0.52 115.31 120.70 1pms h LEU 434 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 1pms h LEU 434 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1pms h LEU 434 CO 0.07 0.00 -1.43 0.00 0.09 0.00 0.00 178.44 177.17 1pms h ALA 435 N 1.75 0.42 0.00 1.53 0.00 -1.99 -3.20 119.26 117.77 1pms h ALA 435 Ca 0.03 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1pms h ALA 435 Cb 0.32 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1pms h ALA 435 CO -0.00 1.28 0.00 -0.89 0.00 0.00 0.00 179.25 179.64 1pms n ILE 436 N -3.32 0.50 0.50 0.00 2.08 0.15 -2.53 119.36 116.72 1pms n ILE 436 Ca -0.12 -0.09 0.13 0.00 0.56 0.00 0.00 62.75 63.23 1pms n ILE 436 Cb 1.02 -0.68 0.35 0.00 -0.75 0.00 0.00 39.64 39.57 1pms n ILE 436 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1pms h LYS 437 N 0.00 0.00 0.34 0.38 6.56 -0.61 -3.32 116.57 119.92 1pms h LYS 437 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1pms h LYS 437 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1pms h LYS 437 CO 0.00 0.00 -0.16 -0.22 -2.06 0.00 0.00 179.45 177.01 1pms h LYS 438 N 0.00 -0.43 -1.78 3.15 1.63 -1.59 -3.11 116.57 114.43 1pms h LYS 438 Ca 0.00 0.03 0.53 0.00 -0.85 0.00 0.00 60.65 60.36 1pms h LYS 438 Cb 0.80 0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 32.44 1pms h LYS 438 CO 0.00 -0.22 1.26 0.00 -3.45 0.00 0.00 179.45 177.05 1pms h MET 439 N -1.08 0.01 0.33 1.90 -0.00 -1.70 0.55 114.93 114.94 1pms h MET 439 Ca -0.05 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 1pms h MET 439 Cb 0.42 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.02 1pms h MET 439 CO 0.08 0.01 -0.16 -0.97 -0.00 0.00 0.00 176.91 175.86 1pms h ASN 440 N 0.01 -0.37 0.55 -0.10 -1.24 -1.66 0.37 115.58 113.13 1pms h ASN 440 Ca 0.89 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.75 1pms h ASN 440 Cb 3.44 0.10 0.00 0.00 0.73 0.00 0.00 38.32 42.58 1pms h ASN 440 CO -0.10 -0.04 0.00 -0.62 -1.29 0.00 0.00 177.43 175.38 1pms n GLU 441 N -5.16 0.06 0.00 6.67 1.02 0.16 -2.09 120.64 121.31 1pms n GLU 441 Ca -0.10 0.17 -0.01 0.00 -0.02 0.00 0.00 57.16 57.20 1pms n GLU 441 Cb 0.26 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 1pms n GLU 441 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1pms n ILE 442 N -1.45 1.16 1.02 -3.67 5.41 0.41 -1.31 119.36 120.92 1pms n ILE 442 Ca 0.05 -0.71 0.11 0.00 1.00 0.00 0.00 62.75 63.21 1pms n ILE 442 Cb 0.19 -0.66 0.14 0.00 -0.71 0.00 0.00 39.64 38.60 1pms n ILE 442 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1pms n GLN 443 N -2.83 0.10 -0.05 0.38 0.00 0.09 -4.08 117.38 110.98 1pms n GLN 443 Ca -0.13 -0.07 -0.08 0.00 -0.00 0.00 0.00 57.00 56.72 1pms n GLN 443 Cb 0.89 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.58 1pms n GLN 443 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1pms n LYS 444 N -1.39 0.25 0.00 3.69 4.76 -0.89 -3.43 118.16 121.15 1pms n LYS 444 Ca 0.06 0.07 0.03 0.00 -2.87 0.00 0.00 58.31 55.59 1pms n LYS 444 Cb 0.34 -1.14 0.12 0.00 -1.84 0.00 0.00 35.03 32.50 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 -2.93 0.00 0.00 4.39 5.15 -0.43 -2.41 115.26 119.03 1pms n ASN 445 Ca -0.19 0.50 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1pms n ASN 445 Cb 0.68 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 1pms n ASN 445 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1pms n ILE 446 N -1.50 0.00 0.00 -1.44 -5.35 -1.26 -5.01 119.36 104.80 1pms n ILE 446 Ca 0.01 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 1pms n ILE 446 Cb 0.06 1.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 1pms n ILE 446 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1pms n ASP 447 N -0.03 0.00 0.00 7.28 -0.08 -1.01 -3.63 116.55 119.08 1pms n ASP 447 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1pms n ASP 447 Cb 0.15 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.61 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 2.65 0.27 0.00 -1.25 -4.74 105.19 102.12 1pms n GLY 448 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.38 1.61 8.01 -1.24 -4.33 117.44 121.12 1pms n TRP 449 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1pms n TRP 449 Cb 0.00 -0.80 0.00 0.00 -2.01 0.00 0.00 31.31 28.50 1pms n TRP 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.69 175.83 1pms n GLU 450 N 1.21 1.49 0.00 -0.99 0.28 -1.25 0.10 120.64 121.48 1pms n GLU 450 Ca 0.00 -1.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.00 1pms n GLU 450 Cb 0.37 -0.81 0.00 0.00 1.43 0.00 0.00 31.44 32.43 1pms n GLU 450 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pms n GLY 451 N -0.26 0.00 3.11 -1.84 0.00 -1.25 -4.75 105.19 100.19 1pms n GLY 451 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1pms n GLY 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pms s LYS 452 N 0.00 0.54 0.52 1.61 1.02 -1.26 -5.14 119.74 117.03 1pms s LYS 452 Ca 0.00 0.71 -0.22 0.00 0.02 0.00 0.00 55.97 56.48 1pms s LYS 452 Cb 0.00 0.28 -0.06 0.00 -0.52 0.00 0.00 37.83 37.52 1pms s LYS 452 CO 0.00 -0.84 1.24 -0.40 -0.92 0.00 0.00 175.35 174.43 1pms n ASP 453 N 5.41 2.19 -0.10 2.83 5.75 -1.26 -4.87 116.55 126.50 1pms n ASP 453 Ca 0.01 0.98 -0.15 0.00 -0.01 0.00 0.00 54.79 55.62 1pms n ASP 453 Cb 0.52 -1.51 -0.09 0.00 -1.03 0.00 0.00 41.12 39.01 1pms n ASP 453 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pms n ILE 454 N -0.96 1.18 -4.54 2.12 3.06 -1.26 -4.95 119.36 114.00 1pms n ILE 454 Ca 0.10 -0.44 -0.34 0.00 -2.50 0.00 0.00 62.75 59.57 1pms n ILE 454 Cb 0.44 -1.26 -0.12 0.00 0.54 0.00 0.00 39.64 39.24 1pms n ILE 454 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1pms s GLY 455 N -5.96 1.70 0.11 4.50 0.00 0.11 -5.00 107.32 102.79 1pms s GLY 455 Ca -0.28 -0.86 -0.21 0.00 0.00 0.00 0.00 44.72 43.37 1pms s GLY 455 CO 0.47 -0.41 1.75 0.06 0.00 0.00 0.00 173.10 174.97 1pms h GLN 456 N 5.85 0.12 0.00 2.90 3.07 -1.93 -3.35 115.11 121.78 1pms h GLN 456 Ca -0.41 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.32 1pms h GLN 456 Cb 1.18 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1pms h GLN 456 CO 0.56 0.08 0.00 0.00 0.09 0.00 0.00 178.83 179.57 1pms n ASN 459 N 4.91 -2.27 0.00 0.00 5.15 -1.26 -4.06 115.26 117.73 1pms n ASN 459 Ca 0.13 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 1pms n ASN 459 Cb 0.42 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 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 0.17 0.00 -0.46 1.20 0.28 -1.26 0.08 120.64 120.66 1pms n GLU 460 Ca -0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.90 1pms n GLU 460 Cb 0.03 0.00 0.08 0.00 1.43 0.00 0.00 31.44 32.98 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 1.14 0.13 -1.84 1.16 -1.26 -4.41 117.46 112.39 1pms n PHE 461 Ca 0.00 -0.94 -0.14 0.00 -1.87 0.00 0.00 57.45 54.50 1pms n PHE 461 Cb 0.00 -0.49 -0.08 0.00 -1.61 0.00 0.00 39.48 37.30 1pms n PHE 461 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1pms h ILE 462 N 0.50 0.82 -2.11 1.97 1.08 -1.95 -3.41 117.51 114.41 1pms h ILE 462 Ca 0.22 -0.03 -0.28 0.00 -0.39 0.00 0.00 64.86 64.38 1pms h ILE 462 Cb 1.66 0.84 -0.32 0.00 -3.07 0.00 0.00 36.82 35.92 1pms h ILE 462 CO 0.40 0.01 -0.59 -0.04 -0.69 0.00 0.00 178.15 177.24 1pms s MET 463 N -6.09 0.31 -0.30 2.37 -1.94 -1.02 -4.75 119.30 107.88 1pms s MET 463 Ca -0.14 0.08 -0.02 0.00 -1.71 0.00 0.00 55.69 53.90 1pms s MET 463 Cb 0.05 -0.68 0.10 0.00 2.01 0.00 0.00 34.83 36.31 1pms s MET 463 CO 0.65 -0.89 0.11 -1.21 -0.01 0.00 0.00 175.02 173.66 1pms s GLU 464 N 2.41 0.55 0.00 2.03 2.02 -1.26 -1.19 118.70 123.27 1pms s GLU 464 Ca 0.10 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1pms s GLU 464 Cb -0.14 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.34 1pms s GLU 464 CO -0.26 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.44 1pms n GLY 465 N 4.97 -0.28 2.96 -1.39 0.00 0.12 -3.83 105.19 107.74 1pms n GLY 465 Ca -0.03 0.43 -0.17 0.00 0.00 0.00 0.00 46.02 46.25 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 0.47 0.00 2.61 -4.23 -1.26 -2.37 115.64 110.87 1pms s THR 466 Ca 0.00 -0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 60.12 1pms s THR 466 Cb 0.00 -0.41 0.02 0.00 1.34 0.00 0.00 72.50 73.46 1pms s THR 466 CO 0.00 0.14 0.33 -0.22 -0.54 0.00 0.00 174.62 174.33 1pms s LEU 467 N -0.05 0.78 0.00 4.79 1.98 -1.18 -4.51 118.68 120.49 1pms s LEU 467 Ca 0.01 0.03 0.01 0.00 -2.89 0.00 0.00 54.13 51.29 1pms s LEU 467 Cb -0.03 1.37 0.01 0.00 0.66 0.00 0.00 46.19 48.19 1pms s LEU 467 CO -0.00 -0.51 0.08 1.07 -1.89 0.00 0.00 176.35 175.09 1pms n THR 468 N 1.02 0.00 -3.46 3.68 5.66 0.04 -2.82 114.28 118.40 1pms n THR 468 Ca -0.20 -0.43 -0.33 0.00 -3.05 0.00 0.00 64.05 60.03 1pms n THR 468 Cb 0.57 -0.38 -0.06 0.00 -1.55 0.00 0.00 70.33 68.91 1pms n THR 468 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1pms n ARG 469 N -0.73 2.86 0.00 1.09 5.12 -1.26 -1.12 116.66 122.62 1pms n ARG 469 Ca -0.01 -4.58 0.00 0.00 -1.93 0.00 0.00 57.85 51.34 1pms n ARG 469 Cb 0.12 -2.35 0.00 0.00 -1.16 0.00 0.00 32.46 29.07 1pms n ARG 469 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1pms n VAL 470 N 1.47 0.00 -0.98 1.55 0.31 -0.95 -3.62 118.33 116.11 1pms n VAL 470 Ca 0.26 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.45 1pms n VAL 470 Cb 0.38 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.25 1pms n VAL 470 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pms n GLY 471 N 0.00 3.45 3.58 2.92 0.00 -1.26 -4.26 105.19 109.63 1pms n GLY 471 Ca 0.00 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.51 0.44 -2.11 4.61 0.00 -1.24 -4.87 121.76 118.09 1pms s ALA 472 Ca 0.42 0.15 0.30 0.00 0.00 0.00 0.00 51.96 52.83 1pms s ALA 472 Cb 0.24 -3.32 1.67 0.00 0.00 0.00 0.00 23.12 21.72 1pms s ALA 472 CO -0.05 -3.30 2.09 0.36 0.00 0.00 0.00 175.76 174.86 1pms n LYS 473 N -4.57 1.15 -3.64 0.00 2.85 -1.26 -4.78 118.16 107.91 1pms n LYS 473 Ca 0.07 -0.22 -0.03 0.00 -1.05 0.00 0.00 58.31 57.08 1pms n LYS 473 Cb 0.53 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 33.37 1pms n LYS 473 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1pms s HIS 474 N -2.00 -0.53 0.10 5.58 3.76 -1.26 -5.17 115.29 115.77 1pms s HIS 474 Ca 0.45 1.07 -0.00 0.00 -0.15 0.00 0.00 55.06 56.43 1pms s HIS 474 Cb 0.21 0.33 0.02 0.00 1.11 0.00 0.00 32.58 34.25 1pms s HIS 474 CO 0.35 -0.26 0.14 -0.85 -0.85 0.00 0.00 174.74 173.27 1pms n GLU 475 N 3.49 0.38 -3.77 1.40 0.28 -1.26 -4.74 120.64 116.42 1pms n GLU 475 Ca -0.18 -0.34 -0.10 0.00 -0.16 0.00 0.00 57.16 56.39 1pms n GLU 475 Cb 0.57 -0.11 -0.06 0.00 1.43 0.00 0.00 31.44 33.28 1pms n GLU 475 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1pms s ARG 476 N -2.87 0.97 0.67 3.44 0.52 -1.13 -4.89 118.95 115.67 1pms s ARG 476 Ca 0.09 -0.87 -0.17 0.00 -0.52 0.00 0.00 55.73 54.26 1pms s ARG 476 Cb -0.00 0.40 -0.01 0.00 0.52 0.00 0.00 34.95 35.86 1pms s ARG 476 CO 0.06 -0.35 1.11 0.72 0.02 0.00 0.00 175.30 176.87 1pms n HIS 477 N -0.15 1.26 -3.95 -0.53 8.25 -0.79 -3.08 115.22 116.23 1pms n HIS 477 Ca -0.15 0.42 -0.10 0.00 -0.26 0.00 0.00 57.72 57.63 1pms n HIS 477 Cb 0.63 -2.17 -0.12 0.00 1.12 0.00 0.00 29.99 29.45 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 -1.58 0.08 -0.30 1.59 -1.09 -1.00 -1.46 121.20 117.45 1pms s ILE 478 Ca 0.78 -0.70 -0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1pms s ILE 478 Cb -0.37 -0.21 0.13 0.00 -1.58 0.00 0.00 42.46 40.43 1pms s ILE 478 CO 0.45 -0.38 0.28 -0.36 -1.23 0.00 0.00 174.94 173.70 1pms s PHE 479 N -1.13 -0.29 0.20 3.97 0.08 -0.74 -3.07 117.98 117.00 1pms s PHE 479 Ca -0.12 -0.42 0.10 0.00 0.12 0.00 0.00 56.93 56.60 1pms s PHE 479 Cb -0.08 -0.53 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 1pms s PHE 479 CO -0.01 -0.91 -0.13 -1.17 -0.10 0.00 0.00 175.22 172.89 1pms s LEU 480 N 2.13 2.82 -0.16 -0.37 0.20 -0.33 -1.24 118.68 121.74 1pms s LEU 480 Ca 0.11 -0.69 -0.04 0.00 0.69 0.00 0.00 54.13 54.20 1pms s LEU 480 Cb -0.15 -1.50 0.08 0.00 -0.43 0.00 0.00 46.19 44.19 1pms s LEU 480 CO -0.28 0.10 0.24 0.72 -0.29 0.00 0.00 176.35 176.84 1pms s PHE 481 N -1.78 -0.35 0.00 5.38 -0.12 -0.25 -2.43 117.98 118.43 1pms s PHE 481 Ca 0.24 0.63 0.00 0.00 -0.05 0.00 0.00 56.93 57.76 1pms s PHE 481 Cb -0.08 -0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.12 1pms s PHE 481 CO 0.14 -0.45 0.00 -3.47 -0.05 0.00 0.00 175.22 171.39 1pms n ASP 482 N 5.34 0.00 -1.18 1.98 -0.08 -1.26 -0.70 116.55 120.65 1pms n ASP 482 Ca -0.05 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.20 1pms n ASP 482 Cb 0.50 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.09 1pms n ASP 482 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pms n GLY 483 N 0.00 4.97 2.72 0.27 0.00 -1.26 -4.71 105.19 107.18 1pms n GLY 483 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.07 2.20 -0.49 0.99 0.20 0.12 -0.15 118.68 118.48 1pms s LEU 484 Ca 0.41 -1.75 -0.23 0.00 0.69 0.00 0.00 54.13 53.25 1pms s LEU 484 Cb 0.38 -0.85 0.04 0.00 -0.43 0.00 0.00 46.19 45.32 1pms s LEU 484 CO -0.05 -0.40 0.80 -0.32 -0.29 0.00 0.00 176.35 176.09 1pms s MET 485 N 1.48 3.32 0.18 1.98 -2.45 -0.93 -1.09 119.30 121.80 1pms s MET 485 Ca 0.11 -0.31 0.05 0.00 -1.25 0.00 0.00 55.69 54.28 1pms s MET 485 Cb -0.18 -4.00 -0.04 0.00 1.25 0.00 0.00 34.83 31.86 1pms s MET 485 CO -0.22 -1.25 0.20 0.42 1.05 0.00 0.00 175.02 175.23 1pms s ILE 486 N 3.35 4.75 0.05 10.11 1.01 -0.37 -1.71 121.20 138.39 1pms s ILE 486 Ca 0.27 -1.04 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 1pms s ILE 486 Cb -0.14 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.88 1pms s ILE 486 CO 0.19 -0.17 0.27 0.00 0.00 0.00 0.00 174.94 175.23 1pms s LYS 489 N 2.43 1.62 0.05 0.00 0.00 -1.23 -1.88 119.74 120.73 1pms s LYS 489 Ca 0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 55.97 55.44 1pms s LYS 489 Cb -0.14 -2.12 -0.02 0.00 0.00 0.00 0.00 37.83 35.55 1pms s LYS 489 CO -0.11 -1.63 0.04 -1.54 0.00 0.00 0.00 175.35 172.12 1pms s SER 490 N -4.68 0.33 -0.75 0.03 1.04 -1.26 -4.21 113.70 104.19 1pms s SER 490 Ca 0.66 -0.79 -0.26 0.00 0.48 0.00 0.00 55.95 56.03 1pms s SER 490 Cb -0.07 0.23 -0.12 0.00 0.10 0.00 0.00 66.02 66.16 1pms s SER 490 CO 0.47 -0.59 2.35 0.21 0.98 0.00 0.00 173.24 176.66 1pms s ASN 491 N -2.64 4.12 -0.24 7.02 2.47 -1.26 -4.90 114.94 119.52 1pms s ASN 491 Ca 0.02 0.14 -0.09 0.00 0.42 0.00 0.00 52.86 53.35 1pms s ASN 491 Cb 0.04 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.26 1pms s ASN 491 CO -0.08 -3.59 0.12 -2.28 -3.72 0.00 0.00 177.10 167.55 1pms s HIS 492 N 13.82 3.23 0.00 0.43 2.46 -1.26 -4.85 115.29 129.12 1pms s HIS 492 Ca 0.90 0.03 0.00 0.00 0.47 0.00 0.00 55.06 56.46 1pms s HIS 492 Cb -0.13 -2.24 0.00 0.00 -0.13 0.00 0.00 32.58 30.08 1pms s HIS 492 CO 0.10 -0.05 0.00 0.41 -2.47 0.00 0.00 174.74 172.73 1pms n GLY 493 N 4.39 -1.46 3.74 1.59 0.00 -1.26 -5.13 105.19 107.06 1pms n GLY 493 Ca -0.15 0.60 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 1pms n GLY 493 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pms n GLN 494 N 0.00 1.44 -2.59 1.61 6.02 -1.26 -4.97 117.38 117.63 1pms n GLN 494 Ca 0.00 0.54 -0.33 0.00 -0.01 0.00 0.00 57.00 57.20 1pms n GLN 494 Cb 0.00 -2.56 -0.05 0.00 1.02 0.00 0.00 30.24 28.65 1pms n GLN 494 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1pms s PRO 495 N -3.10 3.99 0.29 -1.09 0.04 -1.26 -4.97 135.00 128.90 1pms s PRO 495 Ca 0.77 1.14 0.20 0.00 0.04 0.00 0.00 61.00 63.14 1pms s PRO 495 Cb -0.40 -2.14 0.12 0.00 0.04 0.00 0.00 34.50 32.12 1pms s PRO 495 CO 0.45 -0.24 1.34 0.00 0.04 0.00 0.00 177.00 178.59 1pms h ARG 496 N 1.46 0.00 -0.78 4.56 -0.00 -1.93 -3.34 114.38 114.35 1pms h ARG 496 Ca -0.48 0.00 0.15 0.00 -0.50 0.00 0.00 59.98 59.14 1pms h ARG 496 Cb 1.19 0.00 -0.15 0.00 0.00 0.00 0.00 29.97 31.02 1pms h ARG 496 CO 0.60 0.20 -0.26 -0.07 0.00 0.00 0.00 179.97 180.44 1pms h LEU 497 N 0.00 -0.94-10.00 3.04 3.38 -1.94 -3.20 115.31 105.65 1pms h LEU 497 Ca -0.02 0.25 -0.46 0.00 0.09 0.00 0.00 57.88 57.73 1pms h LEU 497 Cb 1.20 0.55 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 1pms h LEU 497 CO 0.03 -0.28 0.37 -2.16 0.09 0.00 0.00 178.44 176.48 1pms s PRO 498 N -6.15 4.23 0.00 1.13 0.04 -1.25 -3.73 135.00 129.27 1pms s PRO 498 Ca -0.14 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1pms s PRO 498 Cb 0.21 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1pms s PRO 498 CO 0.74 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 178.14 1pms n GLY 499 N -0.07 1.68 2.15 0.56 0.00 -1.26 -4.34 105.19 103.91 1pms n GLY 499 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.03 -2.59 4.61 0.00 -1.21 -5.01 120.51 116.28 1pms n ALA 500 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 1pms n ALA 500 Cb 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 1pms n ALA 500 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pms s SER 501 N -2.55 1.73 -0.12 0.00 0.15 -1.26 -5.11 113.70 106.55 1pms s SER 501 Ca 0.00 -0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.26 1pms s SER 501 Cb 0.00 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1pms s SER 501 CO 0.00 0.12 0.04 -0.94 1.20 0.00 0.00 173.24 173.66 1pms s SER 502 N -0.69 5.50 0.99 5.45 1.04 -1.26 -4.89 113.70 119.84 1pms s SER 502 Ca 0.04 0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.49 1pms s SER 502 Cb -0.07 -1.71 0.22 0.00 0.10 0.00 0.00 66.02 64.57 1pms s SER 502 CO 0.00 0.33 1.31 0.00 0.98 0.00 0.00 173.24 175.86 1pms n ALA 503 N 2.49 -1.44 -1.69 5.32 0.00 -1.26 -5.09 120.51 118.83 1pms n ALA 503 Ca -0.18 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.52 1pms n ALA 503 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1pms n ALA 503 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pms n GLU 504 N -3.76 3.57 -3.71 0.00 1.02 -1.26 -5.01 120.64 111.50 1pms n GLU 504 Ca 0.17 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.21 1pms n GLU 504 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.97 1pms n GLU 504 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1pms s TYR 505 N 2.01 -0.24 -0.01 -0.32 1.13 -1.26 -4.16 117.35 114.49 1pms s TYR 505 Ca 0.00 -0.11 -0.07 0.00 -1.41 0.00 0.00 57.07 55.48 1pms s TYR 505 Cb 0.00 0.55 0.02 0.00 -1.10 0.00 0.00 41.96 41.43 1pms s TYR 505 CO 0.00 -1.02 0.30 -2.13 -2.51 0.00 0.00 175.55 170.19 1pms n ARG 506 N -0.40 0.03 -1.77 -3.49 0.63 -1.26 -5.03 116.66 105.37 1pms n ARG 506 Ca -0.09 -0.15 -0.00 0.00 -0.92 0.00 0.00 57.85 56.68 1pms n ARG 506 Cb 0.62 0.27 0.00 0.00 0.45 0.00 0.00 32.46 33.79 1pms n ARG 506 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1pms n LEU 507 N 0.00 -2.85 -4.51 6.15 7.94 -1.26 -4.35 117.00 118.12 1pms n LEU 507 Ca 0.01 -0.01 -0.34 0.00 -1.11 0.00 0.00 56.01 54.57 1pms n LEU 507 Cb 0.13 -1.40 -0.12 0.00 0.53 0.00 0.00 43.42 42.56 1pms n LEU 507 CO 0.03 -0.21 -0.37 -1.59 -1.11 0.00 0.00 177.39 174.14 1pms s LYS 508 N -2.89 3.33 0.28 1.96 -2.85 -1.26 -3.50 119.74 114.82 1pms s LYS 508 Ca 0.00 -0.55 0.10 0.00 -1.00 0.00 0.00 55.97 54.52 1pms s LYS 508 Cb -0.00 -2.77 -0.04 0.00 -2.06 0.00 0.00 37.83 32.95 1pms s LYS 508 CO 0.13 0.38 -0.00 -1.83 0.10 0.00 0.00 175.35 174.13 1pms s GLU 509 N -0.04 2.24 -0.15 1.78 -1.05 -1.02 -4.97 118.70 115.49 1pms s GLU 509 Ca 0.00 -1.49 -0.10 0.00 -0.15 0.00 0.00 54.97 53.23 1pms s GLU 509 Cb -0.13 -2.11 0.05 0.00 -0.44 0.00 0.00 34.13 31.50 1pms s GLU 509 CO 0.03 0.31 0.38 -1.59 0.95 0.00 0.00 175.26 175.34 1pms s LYS 510 N -3.69 0.40 0.41 -4.83 0.00 -1.26 -1.45 119.74 109.32 1pms s LYS 510 Ca 0.32 0.66 0.04 0.00 0.00 0.00 0.00 55.97 56.99 1pms s LYS 510 Cb -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 37.83 37.83 1pms s LYS 510 CO 0.20 -0.12 0.14 1.19 0.00 0.00 0.00 175.35 176.76 1pms n PHE 511 N 3.70 0.17 -3.41 1.78 3.01 -0.69 -5.00 117.46 117.02 1pms n PHE 511 Ca -0.19 -2.62 -0.44 0.00 1.01 0.00 0.00 57.45 55.21 1pms n PHE 511 Cb 0.56 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.94 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 -3.08 3.29 -0.84 1.38 0.40 -1.26 -2.19 117.98 115.68 1pms s PHE 512 Ca 0.20 -1.32 -0.05 0.00 -0.60 0.00 0.00 56.93 55.16 1pms s PHE 512 Cb 0.01 -3.46 0.07 0.00 0.51 0.00 0.00 43.02 40.15 1pms s PHE 512 CO 0.14 -0.93 2.65 -1.33 0.70 0.00 0.00 175.22 176.45 1pms n MET 513 N 5.13 3.37 0.00 0.44 2.81 0.79 -4.04 117.12 125.63 1pms n MET 513 Ca -0.12 -2.77 0.00 0.00 -1.81 0.00 0.00 57.70 53.00 1pms n MET 513 Cb 0.42 -2.36 0.00 0.00 -0.71 0.00 0.00 33.22 30.56 1pms n MET 513 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1pms n ARG 514 N 1.37 4.65 -0.71 0.03 -4.01 -1.25 -4.12 116.66 112.62 1pms n ARG 514 Ca 0.55 -0.01 0.06 0.00 -1.04 0.00 0.00 57.85 57.41 1pms n ARG 514 Cb 0.43 -0.36 0.18 0.00 -3.04 0.00 0.00 32.46 29.67 1pms n ARG 514 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 1pms n LYS 515 N -0.67 1.36 -4.40 2.89 -0.00 -1.26 -5.03 118.16 111.06 1pms n LYS 515 Ca 0.00 -3.11 -0.21 0.00 -0.00 0.00 0.00 58.31 55.00 1pms n LYS 515 Cb 0.00 -1.39 -0.10 0.00 -0.00 0.00 0.00 35.03 33.54 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 -2.78 2.01 -0.03 0.58 -7.23 -1.26 -4.37 120.40 107.31 1pms s VAL 516 Ca 0.37 -2.28 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 1pms s VAL 516 Cb 0.37 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 35.15 1pms s VAL 516 CO -0.08 -0.51 -0.15 -1.10 -0.31 0.00 0.00 175.10 172.95 1pms s GLN 517 N -3.60 1.49 0.21 4.82 1.11 -1.26 -4.94 119.66 117.50 1pms s GLN 517 Ca 0.26 -0.52 -0.07 0.00 0.01 0.00 0.00 55.36 55.03 1pms s GLN 517 Cb -0.02 -1.33 -0.06 0.00 -1.01 0.00 0.00 33.01 30.59 1pms s GLN 517 CO 0.10 0.23 0.49 -1.50 0.01 0.00 0.00 175.29 174.62 1pms s ILE 518 N 0.00 5.03 -0.31 1.08 2.07 -1.26 -2.78 121.20 125.03 1pms s ILE 518 Ca -0.02 0.22 -0.01 0.00 -1.41 0.00 0.00 60.65 59.43 1pms s ILE 518 Cb -0.10 -3.65 0.10 0.00 0.13 0.00 0.00 42.46 38.95 1pms s ILE 518 CO 0.01 -0.09 0.11 0.20 -1.91 0.00 0.00 174.94 173.26 1pms s ASN 519 N -2.58 3.94 -1.13 4.50 0.01 0.24 -4.93 114.94 114.99 1pms s ASN 519 Ca 0.44 -1.62 -0.07 0.00 -0.71 0.00 0.00 52.86 50.91 1pms s ASN 519 Cb -0.11 -0.79 -0.01 0.00 0.41 0.00 0.00 41.25 40.75 1pms s ASN 519 CO 0.24 -0.41 2.79 -0.90 -1.51 0.00 0.00 177.10 177.31 1pms n ASP 520 N 4.86 7.72 -2.76 -1.22 5.75 -1.26 -2.93 116.55 126.71 1pms n ASP 520 Ca -0.02 -2.88 -0.01 0.00 -0.01 0.00 0.00 54.79 51.87 1pms n ASP 520 Cb 0.42 -1.42 0.08 0.00 -1.03 0.00 0.00 41.12 39.17 1pms n ASP 520 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1pms n LYS 521 N 2.31 1.57 -2.72 0.11 4.81 -1.26 -4.95 118.16 118.03 1pms n LYS 521 Ca 0.64 -2.58 -0.08 0.00 -0.87 0.00 0.00 58.31 55.42 1pms n LYS 521 Cb 0.37 -0.78 0.09 0.00 0.02 0.00 0.00 35.03 34.73 1pms n LYS 521 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1pms n ASP 522 N -0.97 -2.15 -2.75 3.14 8.00 -1.26 -5.14 116.55 115.42 1pms n ASP 522 Ca -0.03 -3.35 -0.07 0.00 0.71 0.00 0.00 54.79 52.06 1pms n ASP 522 Cb 0.83 1.76 0.06 0.00 -0.02 0.00 0.00 41.12 43.74 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 0.29 -1.31 -4.04 -2.24 5.75 -1.26 -4.89 116.55 108.85 1pms n ASP 523 Ca 0.03 -0.62 -0.20 0.00 -0.01 0.00 0.00 54.79 53.99 1pms n ASP 523 Cb 0.72 -0.22 -0.15 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.43 0.83 0.19 2.12 -4.23 -1.26 -4.99 115.64 106.87 1pms s THR 524 Ca 0.16 -0.44 0.27 0.00 -1.18 0.00 0.00 61.69 60.50 1pms s THR 524 Cb -0.02 -0.70 0.27 0.00 1.34 0.00 0.00 72.50 73.40 1pms s THR 524 CO 0.12 0.24 1.82 0.28 -0.54 0.00 0.00 174.62 176.54 1pms h SER 525 N 5.94 0.00 -0.03 3.99 0.02 -1.97 0.13 113.55 121.62 1pms h SER 525 Ca -0.32 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.44 1pms h SER 525 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1pms h SER 525 CO 0.49 0.00 -0.65 -0.33 -1.14 0.00 0.00 176.83 175.20 1pms h GLU 526 N 0.00 0.65 0.00 3.45 4.39 -1.97 -3.46 114.58 117.64 1pms h GLU 526 Ca 0.00 -0.47 -0.13 0.00 0.34 0.00 0.00 59.36 59.10 1pms h GLU 526 Cb 0.20 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1pms h GLU 526 CO 0.00 1.09 -0.10 0.98 -1.16 0.00 0.00 179.01 179.82 1pms n TYR 527 N -3.94 0.21 0.00 4.33 9.36 0.03 -5.04 117.16 122.12 1pms n TYR 527 Ca -0.05 -0.51 0.00 0.00 3.32 0.00 0.00 57.90 60.66 1pms n TYR 527 Cb 0.67 -0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.31 1pms n TYR 527 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1pms n LYS 528 N -0.27 0.00 -3.12 2.98 4.01 -1.26 -4.52 118.16 115.99 1pms n LYS 528 Ca -0.04 0.43 0.03 0.00 -0.51 0.00 0.00 58.31 58.22 1pms n LYS 528 Cb 0.13 -0.95 -0.00 0.00 -0.51 0.00 0.00 35.03 33.70 1pms n LYS 528 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1pms s HIS 529 N -0.93 -1.37 0.00 2.13 2.46 -1.26 -4.57 115.29 111.75 1pms s HIS 529 Ca 0.00 0.57 0.00 0.00 0.47 0.00 0.00 55.06 56.10 1pms s HIS 529 Cb 0.00 0.24 0.00 0.00 -0.13 0.00 0.00 32.58 32.69 1pms s HIS 529 CO 0.00 -0.85 0.00 0.00 -2.47 0.00 0.00 174.74 171.42 1pms n ALA 530 N 4.86 0.00 -3.00 1.58 0.00 -1.26 -4.92 120.51 117.78 1pms n ALA 530 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 1pms n ALA 530 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 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 1.68 0.09 -0.19 0.00 0.40 -0.97 -4.80 117.98 114.19 1pms s PHE 531 Ca 0.00 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1pms s PHE 531 Cb 0.00 -0.08 0.04 0.00 0.51 0.00 0.00 43.02 43.49 1pms s PHE 531 CO 0.00 -0.31 -0.12 -1.21 0.70 0.00 0.00 175.22 174.28 1pms s GLU 532 N -1.75 2.19 0.27 0.44 8.01 -1.15 -2.55 118.70 124.16 1pms s GLU 532 Ca -0.12 -0.84 0.08 0.00 0.01 0.00 0.00 54.97 54.10 1pms s GLU 532 Cb -0.06 -2.42 -0.04 0.00 -4.31 0.00 0.00 34.13 27.30 1pms s GLU 532 CO -0.00 -0.39 0.15 0.42 0.01 0.00 0.00 175.26 175.45 1pms s ILE 533 N 1.38 4.05 0.11 -1.63 1.09 -0.64 -0.59 121.20 124.98 1pms s ILE 533 Ca -0.00 -1.54 0.09 0.00 -1.10 0.00 0.00 60.65 58.10 1pms s ILE 533 Cb -0.16 -3.23 -0.04 0.00 -1.06 0.00 0.00 42.46 37.98 1pms s ILE 533 CO -0.09 -0.33 -0.22 -0.63 -0.10 0.00 0.00 174.94 173.57 1pms s ILE 534 N -2.21 1.83 0.47 2.92 1.01 -1.12 0.77 121.20 124.88 1pms s ILE 534 Ca 0.33 -1.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.32 1pms s ILE 534 Cb -0.07 -1.67 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1pms s ILE 534 CO 0.24 -0.05 0.75 -0.76 0.00 0.00 0.00 174.94 175.12 1pms s LEU 535 N -2.01 3.63 -0.18 2.97 1.43 -0.72 -4.00 118.68 119.80 1pms s LEU 535 Ca 0.09 0.75 0.13 0.00 -1.03 0.00 0.00 54.13 54.08 1pms s LEU 535 Cb -0.10 -3.67 0.71 0.00 0.03 0.00 0.00 46.19 43.16 1pms s LEU 535 CO 0.05 -0.62 1.59 0.29 0.23 0.00 0.00 176.35 177.89 1pms n LYS 536 N -2.21 4.20 -0.07 1.70 4.76 -1.26 -4.26 118.16 121.02 1pms n LYS 536 Ca 0.00 -2.73 -0.16 0.00 -2.87 0.00 0.00 58.31 52.56 1pms n LYS 536 Cb 0.56 -2.09 -0.05 0.00 -1.84 0.00 0.00 35.03 31.60 1pms n LYS 536 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pms n ASP 537 N 0.66 1.10 0.00 4.39 -0.08 -1.26 -5.02 116.55 116.35 1pms n ASP 537 Ca 0.24 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1pms n ASP 537 Cb 1.02 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 44.05 1pms n ASP 537 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pms n GLY 538 N 2.10 0.00 0.00 0.27 0.00 -1.26 -5.17 105.19 101.13 1pms n GLY 538 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -3.72 1.61 3.02 -1.26 -5.03 115.26 109.88 1pms n ASN 539 Ca 0.00 -0.83 -0.17 0.00 -0.03 0.00 0.00 54.58 53.55 1pms n ASN 539 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 1pms n ASN 539 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1pms s SER 540 N -0.66 0.48 -1.17 6.41 0.01 -1.26 -1.75 113.70 115.76 1pms s SER 540 Ca 0.00 0.15 -0.13 0.00 1.31 0.00 0.00 55.95 57.28 1pms s SER 540 Cb 0.00 0.02 0.19 0.00 0.21 0.00 0.00 66.02 66.44 1pms s SER 540 CO 0.00 -0.19 1.35 -0.69 0.41 0.00 0.00 173.24 174.12 1pms s VAL 541 N 1.65 5.21 -0.23 3.43 1.01 0.23 -4.86 120.40 126.83 1pms s VAL 541 Ca -0.03 -2.74 -0.11 0.00 0.00 0.00 0.00 61.98 59.11 1pms s VAL 541 Cb -0.12 -4.84 -0.05 0.00 0.00 0.00 0.00 36.38 31.36 1pms s VAL 541 CO -0.04 -1.53 0.18 -0.63 0.00 0.00 0.00 175.10 173.08 1pms s ILE 542 N 1.08 5.35 0.34 2.22 1.01 -1.26 -1.62 121.20 128.33 1pms s ILE 542 Ca 0.40 0.23 0.03 0.00 0.00 0.00 0.00 60.65 61.31 1pms s ILE 542 Cb -0.04 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 1pms s ILE 542 CO -0.02 0.34 0.08 0.72 0.00 0.00 0.00 174.94 176.07 1pms s PHE 543 N 1.03 1.85 -0.20 3.97 -0.71 -1.06 -2.25 117.98 120.61 1pms s PHE 543 Ca 0.09 -1.07 -0.05 0.00 -1.04 0.00 0.00 56.93 54.85 1pms s PHE 543 Cb -0.13 -1.19 0.10 0.00 -1.21 0.00 0.00 43.02 40.58 1pms s PHE 543 CO 0.04 -0.12 0.38 -1.54 -1.34 0.00 0.00 175.22 172.64 1pms s SER 544 N -3.49 0.03 0.53 1.98 1.04 -0.27 -2.28 113.70 111.23 1pms s SER 544 Ca 0.33 0.65 -0.17 0.00 0.48 0.00 0.00 55.95 57.24 1pms s SER 544 Cb 0.07 1.16 -0.07 0.00 0.10 0.00 0.00 66.02 67.28 1pms s SER 544 CO 0.15 -0.26 1.01 0.00 0.98 0.00 0.00 173.24 175.12 1pms s ALA 545 N 2.56 2.96 -0.09 5.32 0.00 -1.26 -0.78 121.76 130.47 1pms s ALA 545 Ca 0.04 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 1pms s ALA 545 Cb -0.13 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 1pms s ALA 545 CO -0.13 -0.36 2.67 1.63 0.00 0.00 0.00 175.76 179.56 1pms n LYS 546 N -1.58 1.62 -3.75 0.00 4.76 -1.26 -4.59 118.16 113.35 1pms n LYS 546 Ca 0.07 -0.83 0.01 0.00 -2.87 0.00 0.00 58.31 54.69 1pms n LYS 546 Cb 0.54 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1pms n LYS 546 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1pms s SER 547 N 1.56 -0.04 0.01 4.39 0.15 -1.26 -4.98 113.70 113.53 1pms s SER 547 Ca 0.35 -0.21 0.15 0.00 0.70 0.00 0.00 55.95 56.94 1pms s SER 547 Cb 0.19 0.20 -0.18 0.00 -1.71 0.00 0.00 66.02 64.52 1pms s SER 547 CO -0.03 -0.38 0.72 0.00 1.20 0.00 0.00 173.24 174.76 1pms n ALA 548 N -0.63 1.74 0.05 5.45 0.00 -1.26 -2.93 120.51 122.93 1pms n ALA 548 Ca -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 53.44 52.70 1pms n ALA 548 Cb 0.61 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 19.10 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 0.00 0.00 0.20 0.00 4.11 -1.97 -3.02 114.58 113.90 1pms h GLU 549 Ca -0.23 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.89 1pms h GLU 549 Cb 1.79 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.07 1pms h GLU 549 CO 0.06 0.56 -1.37 0.93 0.07 0.00 0.00 179.01 179.25 1pms h GLU 550 N 0.00 0.50 -0.55 1.06 4.39 -1.94 -0.53 114.58 117.51 1pms h GLU 550 Ca -0.12 -0.80 -0.09 0.00 0.34 0.00 0.00 59.36 58.69 1pms h GLU 550 Cb 1.68 0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 30.60 1pms h GLU 550 CO 0.08 1.38 -0.01 1.57 -1.16 0.00 0.00 179.01 180.87 1pms h LYS 551 N 0.16 0.98 0.00 2.33 2.10 -1.65 -2.02 116.57 118.47 1pms h LYS 551 Ca -0.21 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 1pms h LYS 551 Cb 2.07 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 33.31 1pms h LYS 551 CO 0.25 0.99 -0.08 0.09 -2.00 0.00 0.00 179.45 178.70 1pms n ASN 552 N -4.25 0.24 -0.00 7.07 4.13 -1.14 -2.93 115.26 118.38 1pms n ASN 552 Ca 0.02 0.42 -0.08 0.00 1.68 0.00 0.00 54.58 56.63 1pms n ASN 552 Cb 0.34 -0.46 -0.06 0.00 -1.54 0.00 0.00 39.78 38.06 1pms n ASN 552 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1pms h ASN 553 N 0.00 -0.09 -0.48 6.41 -0.26 -0.36 -2.21 115.58 118.59 1pms h ASN 553 Ca 0.00 -0.36 -0.08 0.00 -0.56 0.00 0.00 56.30 55.30 1pms h ASN 553 Cb 0.56 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 1pms h ASN 553 CO 0.00 0.54 -0.01 -0.50 -1.06 0.00 0.00 177.43 176.40 1pms h TRP 554 N -0.97 0.98 -0.54 1.19 4.06 -1.58 -1.42 115.95 117.67 1pms h TRP 554 Ca -0.01 -0.15 -0.00 0.00 2.06 0.00 0.00 58.89 60.78 1pms h TRP 554 Cb 0.45 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.32 1pms h TRP 554 CO 0.10 0.89 0.32 1.98 -3.56 0.00 0.00 178.44 178.17 1pms h MET 555 N 0.83 0.73 -0.07 0.49 1.85 -1.64 -2.55 114.93 114.58 1pms h MET 555 Ca 0.15 -0.07 -0.16 0.00 -0.61 0.00 0.00 59.70 59.02 1pms h MET 555 Cb 0.51 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 1pms h MET 555 CO 0.03 0.53 -0.64 0.00 -0.40 0.00 0.00 176.91 176.42 1pms h ALA 556 N 1.16 0.78 0.00 0.39 0.00 -1.16 -2.74 119.26 117.69 1pms h ALA 556 Ca 0.19 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1pms h ALA 556 Cb -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1pms h ALA 556 CO -0.04 0.75 -0.00 0.00 0.00 0.00 0.00 179.25 179.96 1pms h ALA 557 N 1.14 1.01 0.00 0.00 0.00 -0.91 0.26 119.26 120.76 1pms h ALA 557 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pms h ALA 557 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pms h ALA 557 CO 0.10 0.00 -0.06 -0.07 0.00 0.00 0.00 179.25 179.22 1pms h LEU 558 N 0.00 0.00 -1.05 0.00 3.38 -1.16 -3.25 115.31 113.23 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 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1pms h LEU 558 CO 0.00 0.32 0.00 -0.38 0.09 0.00 0.00 178.44 178.47 1pms n ILE 559 N -3.58 1.18 0.04 1.22 -0.00 -1.16 -1.85 119.36 115.21 1pms n ILE 559 Ca -0.01 0.62 -0.13 0.00 -0.00 0.00 0.00 62.75 63.23 1pms n ILE 559 Cb 0.03 -1.60 -0.09 0.00 -0.00 0.00 0.00 39.64 37.99 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 -0.07 1.25 4.38 0.87 -0.55 -1.99 113.55 117.44 1pms h SER 560 Ca 0.00 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.25 1pms h SER 560 Cb 0.06 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1pms h SER 560 CO 0.00 0.21 -0.29 -0.07 -0.53 0.00 0.00 176.83 176.15 1pms h LEU 561 N -0.36 0.00 -0.68 2.23 -0.00 -1.40 -3.13 115.31 111.96 1pms h LEU 561 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.81 1pms h LEU 561 Cb 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.95 1pms h LEU 561 CO 0.01 0.29 0.19 -0.61 -0.00 0.00 0.00 178.44 178.32 1pms h GLN 562 N 0.00 1.08 -0.38 1.13 4.15 -1.18 0.67 115.11 120.57 1pms h GLN 562 Ca -0.00 -0.25 0.11 0.00 0.77 0.00 0.00 58.65 59.28 1pms h GLN 562 Cb 0.99 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 1pms h GLN 562 CO 0.04 0.95 0.38 1.88 -1.93 0.00 0.00 178.83 180.14 1pms h TYR 563 N 1.01 0.00 0.00 3.99 -1.99 -1.30 -3.39 116.97 115.29 1pms h TYR 563 Ca 0.22 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.95 1pms h TYR 563 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1pms h TYR 563 CO 0.03 0.00 0.00 2.89 -0.00 0.00 0.00 178.16 181.08 1pms n ARG 564 N -3.86 0.00 0.00 4.88 0.00 -0.68 -5.15 116.66 111.86 1pms n ARG 564 Ca 0.06 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.02 1pms n ARG 564 Cb 0.55 0.00 0.60 0.00 -0.00 0.00 0.00 32.46 33.61 1pms n ARG 564 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08