#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvy s THR 480 N 0.00 4.16 -0.45 5.53 -1.32 -1.26 -4.23 115.64 118.08 1bvy s THR 480 Ca 0.00 1.49 -0.28 0.00 -1.21 0.00 0.00 61.69 61.70 1bvy s THR 480 Cb 0.00 -3.69 -0.02 0.00 -1.51 0.00 0.00 72.50 67.28 1bvy s THR 480 CO 0.00 -0.14 1.84 -2.84 -2.21 0.00 0.00 174.62 171.27 1bvy s PRO 481 N -2.80 3.00 -0.36 7.08 0.02 -1.26 -0.29 135.00 140.38 1bvy s PRO 481 Ca 0.59 1.10 -0.04 0.00 0.02 0.00 0.00 61.00 62.67 1bvy s PRO 481 Cb -0.14 -4.29 0.08 0.00 0.02 0.00 0.00 34.50 30.17 1bvy s PRO 481 CO 0.19 -2.26 0.13 -1.17 -0.33 0.00 0.00 177.00 173.56 1bvy s LEU 482 N 7.98 4.66 -0.21 -5.54 2.96 -1.18 -2.87 118.68 124.48 1bvy s LEU 482 Ca 0.75 -1.58 -0.17 0.00 -0.22 0.00 0.00 54.13 52.92 1bvy s LEU 482 Cb -0.18 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1bvy s LEU 482 CO 0.28 -0.42 0.46 -0.22 -1.32 0.00 0.00 176.35 175.14 1bvy s LEU 483 N 1.26 4.13 -0.21 -0.68 2.96 -0.93 -1.12 118.68 124.08 1bvy s LEU 483 Ca 0.02 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.46 1bvy s LEU 483 Cb -0.21 -2.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 1bvy s LEU 483 CO -0.01 -0.16 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.10 1bvy s VAL 484 N 1.65 3.22 -0.05 1.68 1.01 0.33 -1.09 120.40 127.15 1bvy s VAL 484 Ca 0.21 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1bvy s VAL 484 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1bvy s VAL 484 CO 0.09 0.44 -0.03 -0.76 0.00 0.00 0.00 175.10 174.84 1bvy s LEU 485 N 1.35 3.36 0.14 3.92 1.43 -0.47 -1.47 118.68 126.95 1bvy s LEU 485 Ca 0.04 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 1bvy s LEU 485 Cb -0.14 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1bvy s LEU 485 CO -0.04 0.34 -0.18 -0.72 0.23 0.00 0.00 176.35 175.98 1bvy s TYR 486 N -0.92 1.71 -0.30 0.29 1.13 0.29 -1.49 117.35 118.05 1bvy s TYR 486 Ca 0.15 -0.48 0.02 0.00 -1.41 0.00 0.00 57.07 55.35 1bvy s TYR 486 Cb -0.11 -0.88 0.08 0.00 -1.10 0.00 0.00 41.96 39.94 1bvy s TYR 486 CO 0.05 0.26 -0.02 0.20 -2.51 0.00 0.00 175.55 173.53 1bvy s GLY 487 N -2.46 1.79 -0.05 5.49 0.00 -0.48 0.19 107.32 111.80 1bvy s GLY 487 Ca 0.12 -2.08 -0.06 0.00 0.00 0.00 0.00 44.72 42.70 1bvy s GLY 487 CO 0.05 0.76 0.17 -0.45 0.00 0.00 0.00 173.10 173.64 1bvy s SER 488 N 1.12 -0.15 -0.15 1.64 0.15 -1.26 -2.21 113.70 112.83 1bvy s SER 488 Ca -0.00 0.26 -0.04 0.00 0.70 0.00 0.00 55.95 56.86 1bvy s SER 488 Cb -0.20 0.33 -0.08 0.00 -1.71 0.00 0.00 66.02 64.36 1bvy s SER 488 CO -0.05 -0.11 -0.17 0.59 1.20 0.00 0.00 173.24 174.69 1bvy n ASN 489 N 2.73 1.87 -1.05 5.45 3.02 -1.26 -4.41 115.26 121.60 1bvy n ASN 489 Ca -0.14 0.08 0.08 0.00 -0.03 0.00 0.00 54.58 54.56 1bvy n ASN 489 Cb 0.58 -0.37 0.27 0.00 -0.61 0.00 0.00 39.78 39.65 1bvy n ASN 489 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1bvy n MET 490 N -3.38 3.25 -0.19 3.52 2.81 -1.26 -5.00 117.12 116.87 1bvy n MET 490 Ca -0.29 -2.69 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 1bvy n MET 490 Cb 0.75 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1bvy n MET 490 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bvy n GLY 491 N 0.14 1.75 0.28 3.03 0.00 -1.26 -4.92 105.19 104.20 1bvy n GLY 491 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1bvy n GLY 491 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1bvy h THR 492 N 0.00 0.52 -0.73 2.61 2.02 -1.96 0.19 112.91 115.56 1bvy h THR 492 Ca 0.00 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1bvy h THR 492 Cb 0.00 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 1bvy h THR 492 CO 0.00 0.01 0.29 0.00 0.37 0.00 0.00 175.52 176.20 1bvy h ALA 493 N -0.20 1.15 -0.50 6.16 0.00 -1.91 -1.91 119.26 122.04 1bvy h ALA 493 Ca -0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1bvy h ALA 493 Cb 0.52 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1bvy h ALA 493 CO 0.11 0.61 -0.08 1.49 0.00 0.00 0.00 179.25 181.39 1bvy h GLU 494 N 1.05 0.91 -0.16 0.00 4.81 -1.82 -1.58 114.58 117.80 1bvy h GLU 494 Ca 0.24 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 1bvy h GLU 494 Cb 0.19 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1bvy h GLU 494 CO -0.02 0.95 -0.57 0.78 -0.73 0.00 0.00 179.01 179.41 1bvy h GLY 495 N 0.97 0.54 0.99 1.92 0.00 -0.42 -2.21 103.07 104.87 1bvy h GLY 495 Ca 0.14 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1bvy h GLY 495 CO 0.04 0.57 0.29 -0.84 0.00 0.00 0.00 176.54 176.60 1bvy h THR 496 N 0.37 1.16 -0.33 4.70 2.02 -1.25 0.16 112.91 119.74 1bvy h THR 496 Ca 0.00 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.85 1bvy h THR 496 Cb 1.11 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1bvy h THR 496 CO 0.10 0.16 0.12 0.00 0.37 0.00 0.00 175.52 176.27 1bvy h ALA 497 N 1.13 0.38 0.00 6.16 0.00 -1.22 -0.44 119.26 125.28 1bvy h ALA 497 Ca 0.18 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1bvy h ALA 497 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1bvy h ALA 497 CO -0.03 -0.28 -0.55 0.00 0.00 0.00 0.00 179.25 178.39 1bvy h ARG 498 N 0.26 0.00 -0.14 0.00 3.08 -1.14 -0.69 114.38 115.74 1bvy h ARG 498 Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1bvy h ARG 498 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1bvy h ARG 498 CO -0.15 0.55 0.01 0.22 -1.07 0.00 0.00 179.97 179.52 1bvy h ASP 499 N 0.00 0.24 -0.07 7.04 3.58 -0.34 -1.29 116.42 125.59 1bvy h ASP 499 Ca -0.01 -0.30 0.03 0.00 0.42 0.00 0.00 57.03 57.18 1bvy h ASP 499 Cb 1.01 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 1bvy h ASP 499 CO 0.07 0.48 -0.12 -0.07 -2.88 0.00 0.00 179.24 176.72 1bvy h LEU 500 N -0.00 -0.37 -2.51 2.28 3.38 -0.80 0.94 115.31 118.24 1bvy h LEU 500 Ca 0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1bvy h LEU 500 Cb 0.35 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1bvy h LEU 500 CO 0.01 -0.17 0.11 0.00 0.09 0.00 0.00 178.44 178.48 1bvy h ALA 501 N 0.85 1.40 0.13 1.53 0.00 -1.05 0.15 119.26 122.28 1bvy h ALA 501 Ca 0.07 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.70 1bvy h ALA 501 Cb 0.26 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1bvy h ALA 501 CO -0.17 -0.13 -1.24 0.22 0.00 0.00 0.00 179.25 177.93 1bvy h ASP 502 N 0.00 0.48 1.62 0.00 3.58 0.34 -3.06 116.42 119.39 1bvy h ASP 502 Ca 0.03 -0.50 -0.06 0.00 0.42 0.00 0.00 57.03 56.92 1bvy h ASP 502 Cb 0.24 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1bvy h ASP 502 CO -0.00 1.38 -0.27 0.40 -2.88 0.00 0.00 179.24 177.87 1bvy h ILE 503 N 0.10 0.47 -0.37 2.25 2.04 0.37 -3.16 117.51 119.21 1bvy h ILE 503 Ca -0.14 -1.59 -0.05 0.00 1.00 0.00 0.00 64.86 64.08 1bvy h ILE 503 Cb 1.96 2.17 -0.01 0.00 -0.74 0.00 0.00 36.82 40.19 1bvy h ILE 503 CO 0.21 0.26 0.03 0.00 0.00 0.00 0.00 178.15 178.64 1bvy h ALA 504 N 1.73 0.49 -0.74 1.87 0.00 -0.78 -2.38 119.26 119.45 1bvy h ALA 504 Ca -0.00 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.81 1bvy h ALA 504 Cb 1.15 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1bvy h ALA 504 CO 0.03 0.23 0.49 0.52 0.00 0.00 0.00 179.25 180.53 1bvy h MET 505 N 0.45 0.44 0.00 0.00 2.86 -1.53 0.86 114.93 118.01 1bvy h MET 505 Ca 0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1bvy h MET 505 Cb 0.42 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1bvy h MET 505 CO 0.01 0.29 0.00 0.77 1.06 0.00 0.00 176.91 179.05 1bvy h SER 506 N 0.46 0.00 -0.25 1.22 0.02 -1.47 -3.09 113.55 110.44 1bvy h SER 506 Ca 0.36 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.27 1bvy h SER 506 Cb 0.76 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1bvy h SER 506 CO -0.12 0.00 -0.02 0.29 -1.14 0.00 0.00 176.83 175.84 1bvy n LYS 507 N -2.53 2.45 -0.92 3.45 5.02 0.29 -4.96 118.16 120.95 1bvy n LYS 507 Ca 0.04 -2.89 0.00 0.00 -2.02 0.00 0.00 58.31 53.44 1bvy n LYS 507 Cb 0.37 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1bvy n LYS 507 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bvy n GLY 508 N -0.78 0.73 3.35 0.72 0.00 -0.60 -4.96 105.19 103.66 1bvy n GLY 508 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1bvy n GLY 508 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bvy s PHE 509 N -3.11 -0.48 -0.62 1.61 0.40 -0.76 -3.90 117.98 111.12 1bvy s PHE 509 Ca 0.00 0.55 0.06 0.00 -0.60 0.00 0.00 56.93 56.94 1bvy s PHE 509 Cb 0.00 -3.01 0.26 0.00 0.51 0.00 0.00 43.02 40.78 1bvy s PHE 509 CO 0.00 -4.82 0.76 0.00 0.70 0.00 0.00 175.22 171.87 1bvy n ALA 510 N -5.49 4.06 -1.71 5.36 0.00 0.60 -4.61 120.51 118.72 1bvy n ALA 510 Ca 0.13 -4.69 -0.33 0.00 0.00 0.00 0.00 53.44 48.55 1bvy n ALA 510 Cb 0.60 -0.87 -0.00 0.00 0.00 0.00 0.00 19.45 19.17 1bvy n ALA 510 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bvy s PRO 511 N -2.55 3.45 -0.02 0.00 0.05 -1.25 -3.09 135.00 131.59 1bvy s PRO 511 Ca 0.41 1.21 0.00 0.00 0.05 0.00 0.00 61.00 62.68 1bvy s PRO 511 Cb 0.17 -2.05 0.02 0.00 0.05 0.00 0.00 34.50 32.69 1bvy s PRO 511 CO -0.03 -0.70 0.01 -1.14 0.05 0.00 0.00 177.00 175.18 1bvy s GLN 512 N -3.92 0.19 -0.09 4.56 0.74 -0.28 -4.91 119.66 115.95 1bvy s GLN 512 Ca 0.64 0.08 0.02 0.00 0.05 0.00 0.00 55.36 56.16 1bvy s GLN 512 Cb -0.16 -0.37 -0.01 0.00 1.10 0.00 0.00 33.01 33.57 1bvy s GLN 512 CO 0.33 -0.12 -0.17 0.08 -0.55 0.00 0.00 175.29 174.87 1bvy s VAL 513 N 0.88 2.73 0.19 1.34 1.01 -1.26 0.12 120.40 125.42 1bvy s VAL 513 Ca -0.08 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 1bvy s VAL 513 Cb -0.12 -2.09 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1bvy s VAL 513 CO -0.02 0.55 0.61 0.00 0.00 0.00 0.00 175.10 176.25 1bvy s ALA 514 N 0.01 -1.40 0.98 5.51 0.00 -0.54 -5.00 121.76 121.33 1bvy s ALA 514 Ca -0.06 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 1bvy s ALA 514 Cb -0.15 0.87 0.18 0.00 0.00 0.00 0.00 23.12 24.02 1bvy s ALA 514 CO 0.05 -0.84 1.09 0.95 0.00 0.00 0.00 175.76 177.00 1bvy s THR 515 N -3.81 2.32 -0.03 0.00 -4.23 -1.26 -0.55 115.64 108.08 1bvy s THR 515 Ca 0.05 0.10 -0.25 0.00 -1.18 0.00 0.00 61.69 60.41 1bvy s THR 515 Cb -0.02 -2.32 -0.19 0.00 1.34 0.00 0.00 72.50 71.30 1bvy s THR 515 CO -0.07 -0.14 1.13 -0.07 -0.54 0.00 0.00 174.62 174.94 1bvy h LEU 516 N -1.95 -0.09 -2.84 4.79 3.38 0.20 -3.31 115.31 115.49 1bvy h LEU 516 Ca -0.51 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 56.91 1bvy h LEU 516 Cb 1.29 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 1bvy h LEU 516 CO 0.49 0.43 0.14 -0.90 0.09 0.00 0.00 178.44 178.69 1bvy n ASP 517 N -4.89 4.68 0.00 -0.43 5.75 -0.45 -2.31 116.55 118.91 1bvy n ASP 517 Ca -0.08 -2.50 0.00 0.00 -0.01 0.00 0.00 54.79 52.19 1bvy n ASP 517 Cb 0.27 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.48 1bvy n ASP 517 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1bvy n SER 518 N 0.71 0.88 -0.56 -1.12 3.41 -1.24 -4.51 113.62 111.19 1bvy n SER 518 Ca 0.11 -0.32 0.06 0.00 -0.26 0.00 0.00 58.87 58.46 1bvy n SER 518 Cb 0.60 0.81 0.19 0.00 -0.26 0.00 0.00 64.21 65.56 1bvy n SER 518 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1bvy n HIS 519 N -0.90 0.35 -1.62 7.33 8.25 -0.98 -4.95 115.22 122.70 1bvy n HIS 519 Ca 0.00 -1.24 -0.29 0.00 -0.26 0.00 0.00 57.72 55.93 1bvy n HIS 519 Cb 0.00 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 30.80 1bvy n HIS 519 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bvy s ALA 520 N -3.05 1.39 0.00 -1.41 0.00 -1.24 -0.94 121.76 116.51 1bvy s ALA 520 Ca 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1bvy s ALA 520 Cb 0.34 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 19.04 1bvy s ALA 520 CO 0.00 -4.88 0.00 0.41 0.00 0.00 0.00 175.76 171.29 1bvy n GLY 521 N 6.26 2.66 2.45 0.00 0.00 -1.26 -4.94 105.19 110.35 1bvy n GLY 521 Ca 0.39 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 1bvy n GLY 521 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bvy n ASN 522 N 0.00 7.54 -4.76 1.61 3.02 -0.11 -5.00 115.26 117.56 1bvy n ASN 522 Ca 0.00 -3.80 -0.41 0.00 -0.03 0.00 0.00 54.58 50.34 1bvy n ASN 522 Cb 0.00 -0.97 -0.02 0.00 -0.61 0.00 0.00 39.78 38.18 1bvy n ASN 522 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bvy s LEU 523 N -3.87 4.40 -0.02 3.41 1.02 -1.23 -4.90 118.68 117.50 1bvy s LEU 523 Ca 0.62 2.68 -0.30 0.00 0.02 0.00 0.00 54.13 57.15 1bvy s LEU 523 Cb 0.49 -3.64 -0.06 0.00 0.02 0.00 0.00 46.19 43.00 1bvy s LEU 523 CO -0.10 -0.61 1.60 -2.84 0.02 0.00 0.00 176.35 174.42 1bvy s PRO 524 N -1.17 4.20 -0.04 1.29 0.02 -1.26 -4.86 135.00 133.18 1bvy s PRO 524 Ca 0.53 2.17 0.03 0.00 0.02 0.00 0.00 61.00 63.75 1bvy s PRO 524 Cb -0.41 -3.82 0.15 0.00 0.02 0.00 0.00 34.50 30.45 1bvy s PRO 524 CO 0.49 -0.77 0.80 -2.13 -0.33 0.00 0.00 177.00 175.06 1bvy n ARG 525 N 6.45 1.68 -3.61 5.54 0.63 -1.26 -4.19 116.66 121.89 1bvy n ARG 525 Ca 0.16 -0.59 -0.13 0.00 -0.92 0.00 0.00 57.85 56.37 1bvy n ARG 525 Cb 0.42 -1.56 -0.07 0.00 0.45 0.00 0.00 32.46 31.71 1bvy n ARG 525 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1bvy s GLU 526 N -1.41 0.77 3.44 -0.14 -1.05 -1.26 -4.76 118.70 114.30 1bvy s GLU 526 Ca 0.10 0.68 0.00 0.00 -0.15 0.00 0.00 54.97 55.61 1bvy s GLU 526 Cb 0.07 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1bvy s GLU 526 CO 0.04 -0.14 0.00 0.41 0.95 0.00 0.00 175.26 176.52 1bvy n GLY 527 N 2.06 1.47 3.58 -3.83 0.00 -1.26 -4.84 105.19 102.38 1bvy n GLY 527 Ca -0.14 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 1bvy n GLY 527 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvy s ALA 528 N -1.27 -2.03 -0.18 4.61 0.00 -1.14 -4.59 121.76 117.17 1bvy s ALA 528 Ca 0.00 1.54 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 1bvy s ALA 528 Cb 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.96 1bvy s ALA 528 CO 0.00 -0.55 0.01 0.54 0.00 0.00 0.00 175.76 175.76 1bvy s VAL 529 N -2.28 0.72 -0.01 0.00 0.11 -0.43 -2.20 120.40 116.31 1bvy s VAL 529 Ca 0.08 -0.58 -0.28 0.00 -2.93 0.00 0.00 61.98 58.27 1bvy s VAL 529 Cb -0.01 -1.11 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 1bvy s VAL 529 CO -0.05 -0.10 0.88 -0.76 -3.33 0.00 0.00 175.10 171.74 1bvy s LEU 530 N 1.78 4.36 -0.25 2.54 1.43 -0.25 -2.55 118.68 125.74 1bvy s LEU 530 Ca -0.01 1.50 0.02 0.00 -1.03 0.00 0.00 54.13 54.62 1bvy s LEU 530 Cb -0.17 -3.40 0.06 0.00 0.03 0.00 0.00 46.19 42.72 1bvy s LEU 530 CO -0.07 -0.19 -0.09 -0.63 0.23 0.00 0.00 176.35 175.59 1bvy s ILE 531 N 0.84 1.93 -0.28 -0.59 1.01 -0.32 -1.37 121.20 122.43 1bvy s ILE 531 Ca 0.46 -1.45 -0.05 0.00 0.00 0.00 0.00 60.65 59.61 1bvy s ILE 531 Cb -0.20 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.20 1bvy s ILE 531 CO 0.25 -0.03 0.04 -0.69 0.00 0.00 0.00 174.94 174.50 1bvy s VAL 532 N 1.22 3.69 -0.04 2.92 1.01 -0.55 0.31 120.40 128.95 1bvy s VAL 532 Ca -0.07 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1bvy s VAL 532 Cb -0.19 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.35 1bvy s VAL 532 CO -0.06 0.15 0.38 0.28 0.00 0.00 0.00 175.10 175.85 1bvy s THR 533 N 1.46 0.04 0.57 3.92 -1.32 -0.87 -1.38 115.64 118.07 1bvy s THR 533 Ca 0.02 -0.33 0.01 0.00 -1.21 0.00 0.00 61.69 60.18 1bvy s THR 533 Cb -0.17 -0.67 0.11 0.00 -1.51 0.00 0.00 72.50 70.27 1bvy s THR 533 CO 0.00 -0.18 0.79 0.00 -2.21 0.00 0.00 174.62 173.02 1bvy n ALA 534 N 1.44 0.32 -2.73 11.08 0.00 -0.94 -1.10 120.51 128.57 1bvy n ALA 534 Ca -0.20 -1.62 -0.17 0.00 0.00 0.00 0.00 53.44 51.45 1bvy n ALA 534 Cb 0.56 0.30 -0.13 0.00 0.00 0.00 0.00 19.45 20.18 1bvy n ALA 534 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1bvy s SER 535 N -4.26 1.07 -0.26 0.00 0.01 -1.22 -4.52 113.70 104.53 1bvy s SER 535 Ca 0.53 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 57.47 1bvy s SER 535 Cb -0.03 -0.06 0.07 0.00 0.21 0.00 0.00 66.02 66.21 1bvy s SER 535 CO 0.35 -0.00 -0.00 -0.31 0.41 0.00 0.00 173.24 173.69 1bvy s TYR 536 N -0.67 2.34 -1.47 2.43 1.51 0.23 -4.77 117.35 116.95 1bvy s TYR 536 Ca -0.01 -1.85 -0.14 0.00 -1.01 0.00 0.00 57.07 54.07 1bvy s TYR 536 Cb -0.06 -1.74 0.11 0.00 -0.11 0.00 0.00 41.96 40.16 1bvy s TYR 536 CO 0.00 -0.80 0.66 0.09 -1.11 0.00 0.00 175.55 174.39 1bvy n ASN 537 N 4.68 -3.61 0.00 2.29 4.13 -1.26 -0.24 115.26 121.25 1bvy n ASN 537 Ca -0.08 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.50 1bvy n ASN 537 Cb 0.44 -2.96 0.00 0.00 -1.54 0.00 0.00 39.78 35.71 1bvy n ASN 537 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bvy n GLY 538 N -1.30 0.72 3.47 7.41 0.00 -1.26 -5.03 105.19 109.19 1bvy n GLY 538 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1bvy n GLY 538 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bvy s HIS 539 N -2.70 2.28 0.49 1.61 3.76 0.67 -4.70 115.29 116.70 1bvy s HIS 539 Ca 0.00 -0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 54.37 1bvy s HIS 539 Cb 0.00 -1.00 -0.08 0.00 1.11 0.00 0.00 32.58 32.61 1bvy s HIS 539 CO 0.00 0.70 1.05 -2.14 -0.85 0.00 0.00 174.74 173.51 1bvy s PRO 540 N -3.46 3.75 0.95 8.40 0.02 -1.26 0.75 135.00 144.14 1bvy s PRO 540 Ca 0.29 1.41 -0.10 0.00 0.02 0.00 0.00 61.00 62.62 1bvy s PRO 540 Cb -0.05 -2.10 0.16 0.00 0.02 0.00 0.00 34.50 32.54 1bvy s PRO 540 CO 0.15 -0.49 1.13 -2.14 -0.33 0.00 0.00 177.00 175.32 1bvy s PRO 541 N -3.21 0.75 0.48 5.54 0.02 -1.26 -4.69 135.00 132.63 1bvy s PRO 541 Ca 0.68 1.43 0.21 0.00 0.02 0.00 0.00 61.00 63.34 1bvy s PRO 541 Cb -0.18 -1.71 1.22 0.00 0.02 0.00 0.00 34.50 33.86 1bvy s PRO 541 CO 0.21 -2.78 1.95 -0.44 -0.33 0.00 0.00 177.00 175.61 1bvy h ASP 542 N -1.97 0.21 -0.41 2.53 3.32 -1.95 0.13 116.42 118.27 1bvy h ASP 542 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1bvy h ASP 542 Cb 1.28 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1bvy h ASP 542 CO 0.43 0.10 0.00 -0.46 -1.72 0.00 0.00 179.24 177.60 1bvy n ASN 543 N -4.42 4.38 0.00 6.45 0.23 -1.26 -4.16 115.26 116.47 1bvy n ASN 543 Ca 0.13 -2.66 0.00 0.00 -0.53 0.00 0.00 54.58 51.52 1bvy n ASN 543 Cb 0.60 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1bvy n ASN 543 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bvy n ALA 544 N 0.46 0.98 -0.21 -2.53 0.00 0.44 -1.33 120.51 118.31 1bvy n ALA 544 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.59 1bvy n ALA 544 Cb 0.92 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.43 1bvy n ALA 544 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bvy h LYS 545 N 0.00 0.72 -0.38 0.00 1.79 -1.67 -2.19 116.57 114.83 1bvy h LYS 545 Ca 0.00 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1bvy h LYS 545 Cb 0.01 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 1bvy h LYS 545 CO 0.00 0.47 0.07 1.96 -1.08 0.00 0.00 179.45 180.87 1bvy h GLN 546 N 0.74 0.57 0.56 3.15 4.20 -1.87 -1.17 115.11 121.29 1bvy h GLN 546 Ca 0.25 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1bvy h GLN 546 Cb 0.03 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.72 1bvy h GLN 546 CO -0.10 0.54 -0.27 0.35 -0.67 0.00 0.00 178.83 178.68 1bvy h PHE 547 N 0.56 -0.70 -0.33 2.96 3.57 -1.66 -1.91 116.94 119.42 1bvy h PHE 547 Ca 0.13 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1bvy h PHE 547 Cb 0.25 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1bvy h PHE 547 CO 0.01 -0.37 0.18 0.28 -2.23 0.00 0.00 178.31 176.18 1bvy h VAL 548 N -1.05 1.01 -0.12 1.41 2.07 -1.39 0.29 116.25 118.46 1bvy h VAL 548 Ca -0.08 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.34 1bvy h VAL 548 Cb 0.64 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1bvy h VAL 548 CO 0.13 0.07 -0.03 0.44 0.02 0.00 0.00 177.57 178.19 1bvy h ASP 549 N 0.37 -0.13 -0.99 0.57 3.32 -1.28 1.52 116.42 119.80 1bvy h ASP 549 Ca 0.13 0.04 0.19 0.00 0.02 0.00 0.00 57.03 57.41 1bvy h ASP 549 Cb 0.03 0.08 -0.11 0.00 0.22 0.00 0.00 39.33 39.55 1bvy h ASP 549 CO -0.08 -0.05 0.59 -0.25 -1.72 0.00 0.00 179.24 177.74 1bvy h TRP 550 N -0.01 1.04 -0.12 4.55 7.01 -0.84 -2.14 115.95 125.44 1bvy h TRP 550 Ca 0.06 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.97 1bvy h TRP 550 Cb 0.10 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 1bvy h TRP 550 CO -0.17 0.22 -0.39 1.25 -2.79 0.00 0.00 178.44 176.56 1bvy h LEU 551 N 0.74 0.56 0.00 0.65 5.85 0.29 -2.86 115.31 120.55 1bvy h LEU 551 Ca 0.57 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1bvy h LEU 551 Cb 0.89 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1bvy h LEU 551 CO -0.39 1.07 0.00 -0.67 -0.34 0.00 0.00 178.44 178.11 1bvy n ASP 552 N -4.31 0.00 0.00 1.25 -0.08 0.49 -4.37 116.55 109.52 1bvy n ASP 552 Ca -0.07 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 1bvy n ASP 552 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1bvy n ASP 552 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1bvy n GLN 553 N -0.44 0.00 -1.68 -0.67 -0.06 -0.98 -4.56 117.38 108.99 1bvy n GLN 553 Ca 0.00 0.42 -0.49 0.00 -2.00 0.00 0.00 57.00 54.93 1bvy n GLN 553 Cb 0.00 -1.39 -0.05 0.00 -4.06 0.00 0.00 30.24 24.74 1bvy n GLN 553 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1bvy n ALA 554 N -1.74 0.77 0.00 1.69 0.00 -1.08 -4.72 120.51 115.43 1bvy n ALA 554 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1bvy n ALA 554 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1bvy n ALA 554 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bvy n SER 555 N 5.78 0.01 -0.10 0.00 3.41 -1.26 -4.17 113.62 117.30 1bvy n SER 555 Ca 0.22 -0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.75 1bvy n SER 555 Cb 0.27 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 1bvy n SER 555 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bvy h ALA 556 N 0.00 -0.19 0.00 7.33 0.00 -1.95 -2.77 119.26 121.67 1bvy h ALA 556 Ca 0.00 0.09 -0.56 0.00 0.00 0.00 0.00 54.91 54.44 1bvy h ALA 556 Cb 0.00 0.67 0.02 0.00 0.00 0.00 0.00 17.79 18.48 1bvy h ALA 556 CO 0.00 -0.73 2.81 -0.40 0.00 0.00 0.00 179.25 180.94 1bvy n ASP 557 N -5.41 4.70 -2.84 0.00 5.68 -1.26 -4.92 116.55 112.49 1bvy n ASP 557 Ca 0.00 -2.55 -0.26 0.00 -0.50 0.00 0.00 54.79 51.49 1bvy n ASP 557 Cb 0.33 -1.27 0.02 0.00 -1.14 0.00 0.00 41.12 39.07 1bvy n ASP 557 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1bvy n GLU 558 N 5.21 0.00 -1.10 0.11 -0.58 -1.05 -4.88 120.64 118.36 1bvy n GLU 558 Ca 0.53 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 57.09 1bvy n GLU 558 Cb 0.27 -0.70 0.18 0.00 -0.57 0.00 0.00 31.44 30.62 1bvy n GLU 558 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1bvy n VAL 559 N -1.51 2.99 -2.47 2.62 0.24 -1.01 -4.99 118.33 114.20 1bvy n VAL 559 Ca 0.01 -2.25 -0.41 0.00 -2.04 0.00 0.00 64.34 59.65 1bvy n VAL 559 Cb 0.37 -0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 32.26 1bvy n VAL 559 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1bvy s LYS 560 N -3.30 4.54 0.00 7.34 -2.85 -1.25 -3.13 119.74 121.09 1bvy s LYS 560 Ca 0.53 1.76 0.00 0.00 -1.00 0.00 0.00 55.97 57.26 1bvy s LYS 560 Cb 0.46 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.95 1bvy s LYS 560 CO 0.07 -0.01 0.00 0.41 0.10 0.00 0.00 175.35 175.91 1bvy n GLY 561 N 2.24 2.48 3.55 0.59 0.00 -1.26 -4.96 105.19 107.83 1bvy n GLY 561 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1bvy n GLY 561 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bvy s VAL 562 N -2.59 3.37 -0.46 1.61 1.01 -1.18 -4.49 120.40 117.66 1bvy s VAL 562 Ca 0.00 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 1bvy s VAL 562 Cb 0.00 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1bvy s VAL 562 CO 0.00 -0.91 0.63 -0.13 0.00 0.00 0.00 175.10 174.69 1bvy s ARG 563 N 6.96 3.22 0.00 2.72 0.52 -1.26 -3.05 118.95 128.05 1bvy s ARG 563 Ca 0.67 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.34 1bvy s ARG 563 Cb -0.13 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 31.35 1bvy s ARG 563 CO 0.21 -1.07 0.00 2.48 0.02 0.00 0.00 175.30 176.94 1bvy n TYR 564 N 6.23 0.00 -3.58 -0.53 4.11 -1.14 -1.31 117.16 120.93 1bvy n TYR 564 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.76 1bvy n TYR 564 Cb 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.76 1bvy n TYR 564 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1bvy s SER 565 N -0.87 -0.38 -0.07 9.48 0.15 -1.06 -1.94 113.70 119.01 1bvy s SER 565 Ca 0.00 0.45 0.03 0.00 0.70 0.00 0.00 55.95 57.13 1bvy s SER 565 Cb 0.00 0.36 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1bvy s SER 565 CO 0.00 -0.33 -0.16 -0.69 1.20 0.00 0.00 173.24 173.26 1bvy s VAL 566 N -0.98 1.39 -0.14 4.45 1.01 -1.26 -1.17 120.40 123.70 1bvy s VAL 566 Ca -0.01 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 1bvy s VAL 566 Cb -0.01 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1bvy s VAL 566 CO 0.01 0.41 -0.14 0.12 0.00 0.00 0.00 175.10 175.50 1bvy s PHE 567 N 0.45 2.80 -0.23 5.22 5.36 0.15 -0.64 117.98 131.09 1bvy s PHE 567 Ca -0.13 -0.79 -0.10 0.00 -0.96 0.00 0.00 56.93 54.95 1bvy s PHE 567 Cb -0.15 -1.86 -0.05 0.00 -0.34 0.00 0.00 43.02 40.61 1bvy s PHE 567 CO 0.04 -0.31 0.15 0.20 -1.46 0.00 0.00 175.22 173.84 1bvy s GLY 568 N 0.54 1.98 -0.32 13.12 0.00 0.50 -2.05 107.32 121.10 1bvy s GLY 568 Ca -0.09 -0.86 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 1bvy s GLY 568 CO 0.04 0.34 0.14 0.00 0.00 0.00 0.00 173.10 173.62 1bvy s GLY 570 N 1.57 1.50 -0.05 0.00 0.00 -0.56 -3.41 107.32 106.37 1bvy s GLY 570 Ca 0.04 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1bvy s GLY 570 CO 0.05 -1.11 -0.03 -0.35 0.00 0.00 0.00 173.10 171.66 1bvy s ASP 571 N -3.22 1.15 0.64 1.64 -1.08 -1.26 -1.61 116.67 112.93 1bvy s ASP 571 Ca 0.33 -0.12 0.40 0.00 -0.52 0.00 0.00 52.55 52.64 1bvy s ASP 571 Cb 0.01 -0.46 2.18 0.00 -1.46 0.00 0.00 42.92 43.20 1bvy s ASP 571 CO 0.18 -0.09 2.31 0.50 0.52 0.00 0.00 175.17 178.59 1bvy h LYS 572 N 7.51 0.00 0.00 4.34 1.63 -1.93 -1.72 116.57 126.41 1bvy h LYS 572 Ca -0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1bvy h LYS 572 Cb 1.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1bvy h LYS 572 CO 0.42 0.01 0.00 0.09 -3.45 0.00 0.00 179.45 176.51 1bvy n ASN 573 N -3.25 0.03 -3.78 4.20 3.02 -1.26 -3.43 115.26 110.80 1bvy n ASN 573 Ca -0.03 0.51 -0.35 0.00 -0.03 0.00 0.00 54.58 54.69 1bvy n ASN 573 Cb 0.10 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 38.71 1bvy n ASN 573 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1bvy n TRP 574 N -1.55 3.28 0.00 3.10 8.01 -0.65 -5.03 117.44 124.61 1bvy n TRP 574 Ca 0.01 -3.60 0.00 0.00 -1.31 0.00 0.00 57.50 52.60 1bvy n TRP 574 Cb 0.03 -0.93 0.00 0.00 -2.01 0.00 0.00 31.31 28.41 1bvy n TRP 574 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1bvy n ALA 575 N 1.32 0.00 1.07 6.99 0.00 -1.22 -1.25 120.51 127.42 1bvy n ALA 575 Ca 0.27 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.85 1bvy n ALA 575 Cb 0.37 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.44 1bvy n ALA 575 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bvy n THR 576 N 0.00 0.00 0.08 0.00 -2.24 -1.26 -3.64 114.28 107.21 1bvy n THR 576 Ca 0.00 -0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1bvy n THR 576 Cb 0.00 -0.45 0.12 0.00 -2.10 0.00 0.00 70.33 67.90 1bvy n THR 576 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1bvy n THR 577 N -1.46 0.61 -1.64 4.28 -2.24 -0.91 -4.96 114.28 107.97 1bvy n THR 577 Ca 0.08 -0.81 -0.54 0.00 -2.27 0.00 0.00 64.05 60.51 1bvy n THR 577 Cb 0.32 0.79 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 1bvy n THR 577 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bvy n TYR 578 N 0.62 2.01 -2.09 4.78 9.36 -0.38 -1.40 117.16 130.06 1bvy n TYR 578 Ca 0.10 0.35 -0.17 0.00 3.32 0.00 0.00 57.90 61.51 1bvy n TYR 578 Cb 0.39 -2.52 -0.03 0.00 -0.63 0.00 0.00 39.34 36.54 1bvy n TYR 578 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1bvy n GLN 579 N 6.37 -1.74 -0.24 2.98 1.13 -1.26 -4.89 117.38 119.73 1bvy n GLN 579 Ca 0.29 0.88 0.01 0.00 -1.94 0.00 0.00 57.00 56.24 1bvy n GLN 579 Cb 0.19 -5.40 0.24 0.00 0.11 0.00 0.00 30.24 25.38 1bvy n GLN 579 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1bvy h LYS 580 N 0.00 1.00 0.03 -1.09 3.64 -1.60 -1.51 116.57 117.04 1bvy h LYS 580 Ca -0.38 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1bvy h LYS 580 Cb 1.23 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1bvy h LYS 580 CO 0.48 0.66 -0.02 0.28 -2.27 0.00 0.00 179.45 178.59 1bvy h VAL 581 N 1.03 1.40 -0.87 2.00 2.07 -1.84 -0.21 116.25 119.83 1bvy h VAL 581 Ca 0.30 -1.64 0.14 0.00 0.82 0.00 0.00 66.70 66.32 1bvy h VAL 581 Cb -0.07 2.46 -0.09 0.00 -1.52 0.00 0.00 31.29 32.07 1bvy h VAL 581 CO -0.07 0.40 0.47 -0.65 0.02 0.00 0.00 177.57 177.74 1bvy h PRO 582 N -0.79 0.66 -0.04 1.57 0.10 -1.79 -1.10 132.00 130.60 1bvy h PRO 582 Ca -0.00 -0.04 -0.00 0.00 0.10 0.00 0.00 66.00 66.06 1bvy h PRO 582 Cb 0.69 -0.15 -0.00 0.00 0.10 0.00 0.00 31.00 31.64 1bvy h PRO 582 CO 0.01 0.43 0.02 0.00 0.10 0.00 0.00 178.00 178.56 1bvy h ALA 583 N 1.55 0.05 -0.11 -0.75 0.00 -1.27 -0.30 119.26 118.43 1bvy h ALA 583 Ca 0.47 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.38 1bvy h ALA 583 Cb 0.64 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1bvy h ALA 583 CO -0.35 -0.41 -0.35 0.35 0.00 0.00 0.00 179.25 178.49 1bvy h PHE 584 N -0.01 -0.99 -0.41 0.00 3.57 -0.29 -1.56 116.94 117.24 1bvy h PHE 584 Ca 0.02 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1bvy h PHE 584 Cb 0.07 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1bvy h PHE 584 CO -0.05 -0.43 0.21 0.82 -2.23 0.00 0.00 178.31 176.63 1bvy h ILE 585 N -0.44 0.98 0.48 1.41 2.04 -1.12 0.35 117.51 121.21 1bvy h ILE 585 Ca 0.09 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1bvy h ILE 585 Cb 0.58 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1bvy h ILE 585 CO -0.36 0.08 -0.35 -0.78 0.00 0.00 0.00 178.15 176.74 1bvy h ASP 586 N 0.43 -0.92 0.80 1.72 3.58 -0.71 0.31 116.42 121.63 1bvy h ASP 586 Ca 0.17 0.07 -0.17 0.00 0.42 0.00 0.00 57.03 57.52 1bvy h ASP 586 Cb 0.07 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 1bvy h ASP 586 CO -0.12 -0.53 -0.82 -0.33 -2.88 0.00 0.00 179.24 174.57 1bvy h GLU 587 N -0.82 0.01 -0.39 0.28 5.08 -1.27 -2.96 114.58 114.51 1bvy h GLU 587 Ca -0.05 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1bvy h GLU 587 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1bvy h GLU 587 CO 0.01 0.82 -0.37 1.15 -1.00 0.00 0.00 179.01 179.62 1bvy h THR 588 N 0.00 1.27 -0.12 1.13 2.02 -0.22 -1.68 112.91 115.32 1bvy h THR 588 Ca -0.01 -1.54 0.03 0.00 0.77 0.00 0.00 66.41 65.66 1bvy h THR 588 Cb 1.44 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1bvy h THR 588 CO 0.11 0.52 0.09 0.25 0.37 0.00 0.00 175.52 176.85 1bvy h LEU 589 N 0.76 0.00 0.04 2.58 5.85 -0.88 -2.30 115.31 121.36 1bvy h LEU 589 Ca 0.07 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.51 1bvy h LEU 589 Cb 0.96 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1bvy h LEU 589 CO 0.09 0.00 -1.47 0.00 -0.34 0.00 0.00 178.44 176.72 1bvy h ALA 590 N 1.93 0.50 -0.14 1.25 0.00 -1.30 -3.26 119.26 118.25 1bvy h ALA 590 Ca 0.06 -1.21 -0.09 0.00 0.00 0.00 0.00 54.91 53.67 1bvy h ALA 590 Cb 0.24 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1bvy h ALA 590 CO -0.00 1.35 0.11 0.00 0.00 0.00 0.00 179.25 180.72 1bvy n ALA 591 N -2.55 3.99 -1.77 0.00 0.00 -0.67 -2.64 120.51 116.88 1bvy n ALA 591 Ca -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1bvy n ALA 591 Cb 1.02 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1bvy n ALA 591 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bvy n LYS 592 N 0.96 0.00 0.00 0.00 5.02 -1.22 -5.02 118.16 117.89 1bvy n LYS 592 Ca 0.08 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1bvy n LYS 592 Cb 0.55 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 1bvy n LYS 592 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bvy n GLY 593 N 0.00 0.76 3.82 0.72 0.00 -1.08 -2.42 105.19 106.99 1bvy n GLY 593 Ca 0.00 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 1bvy n GLY 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvy s ALA 594 N -1.39 3.58 -0.54 4.61 0.00 -1.24 -3.88 121.76 122.90 1bvy s ALA 594 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.97 1bvy s ALA 594 Cb 0.00 -2.60 0.42 0.00 0.00 0.00 0.00 23.12 20.94 1bvy s ALA 594 CO 0.00 0.42 1.55 0.39 0.00 0.00 0.00 175.76 178.11 1bvy n GLU 595 N 1.36 3.17 -1.54 0.00 -0.58 -1.17 -5.00 120.64 116.87 1bvy n GLU 595 Ca -0.08 -3.91 -0.26 0.00 -0.42 0.00 0.00 57.16 52.49 1bvy n GLU 595 Cb 0.51 -2.27 -0.10 0.00 -0.57 0.00 0.00 31.44 29.01 1bvy n GLU 595 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1bvy n ASN 596 N -0.66 1.17 0.20 1.62 2.85 -1.26 -2.90 115.26 116.28 1bvy n ASN 596 Ca 0.49 -0.79 0.12 0.00 -0.11 0.00 0.00 54.58 54.29 1bvy n ASN 596 Cb 0.66 -1.34 0.19 0.00 1.24 0.00 0.00 39.78 40.53 1bvy n ASN 596 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1bvy h ILE 597 N 7.62 0.00 -2.72 -1.44 2.04 -1.73 -3.45 117.51 117.83 1bvy h ILE 597 Ca -0.07 -0.94 -0.14 0.00 1.00 0.00 0.00 64.86 64.70 1bvy h ILE 597 Cb 1.15 1.92 -0.28 0.00 -0.74 0.00 0.00 36.82 38.87 1bvy h ILE 597 CO 1.22 0.00 -0.39 0.00 0.00 0.00 0.00 178.15 178.97 1bvy s ALA 598 N -3.20 -0.90 0.52 1.87 0.00 -1.25 -4.56 121.76 114.23 1bvy s ALA 598 Ca 0.07 1.32 -0.23 0.00 0.00 0.00 0.00 51.96 53.13 1bvy s ALA 598 Cb 0.06 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 22.12 1bvy s ALA 598 CO 0.67 -0.45 1.36 -0.51 0.00 0.00 0.00 175.76 176.83 1bvy s ASP 599 N 1.89 5.46 0.94 0.00 1.01 -1.26 -4.34 116.67 120.36 1bvy s ASP 599 Ca -0.05 2.78 -0.15 0.00 0.71 0.00 0.00 52.55 55.83 1bvy s ASP 599 Cb -0.10 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 1bvy s ASP 599 CO -0.11 -1.44 -0.08 -1.14 0.21 0.00 0.00 175.17 172.61 1bvy n ARG 600 N -0.80 -0.12 -4.24 8.23 0.63 -1.26 -4.75 116.66 114.35 1bvy n ARG 600 Ca 0.09 -0.01 -0.17 0.00 -0.92 0.00 0.00 57.85 56.84 1bvy n ARG 600 Cb 0.44 -1.49 -0.13 0.00 0.45 0.00 0.00 32.46 31.73 1bvy n ARG 600 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1bvy s GLY 601 N -1.55 0.55 0.07 5.14 0.00 0.18 -4.97 107.32 106.75 1bvy s GLY 601 Ca 0.51 -0.62 0.09 0.00 0.00 0.00 0.00 44.72 44.70 1bvy s GLY 601 CO 0.73 -0.60 -0.24 -0.54 0.00 0.00 0.00 173.10 172.44 1bvy s GLU 602 N -0.90 1.51 -0.11 2.90 2.02 -1.26 0.19 118.70 123.05 1bvy s GLU 602 Ca -0.01 -1.14 0.01 0.00 0.02 0.00 0.00 54.97 53.85 1bvy s GLU 602 Cb -0.07 -1.77 0.02 0.00 0.10 0.00 0.00 34.13 32.41 1bvy s GLU 602 CO 0.00 0.44 -0.13 0.00 0.02 0.00 0.00 175.26 175.60 1bvy s ALA 603 N -0.91 1.57 -0.41 5.21 0.00 0.28 -4.41 121.76 123.10 1bvy s ALA 603 Ca 0.11 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 1bvy s ALA 603 Cb -0.10 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1bvy s ALA 603 CO 0.03 -0.16 0.31 0.34 0.00 0.00 0.00 175.76 176.28 1bvy s ASP 604 N 1.16 6.12 0.55 0.00 2.15 -1.26 -1.50 116.67 123.89 1bvy s ASP 604 Ca -0.04 -0.87 0.25 0.00 0.43 0.00 0.00 52.55 52.33 1bvy s ASP 604 Cb -0.14 -2.17 1.59 0.00 -0.30 0.00 0.00 42.92 41.90 1bvy s ASP 604 CO -0.03 -0.46 2.18 0.00 -0.17 0.00 0.00 175.17 176.69 1bvy h ALA 605 N 8.63 1.59 0.00 3.66 0.00 -1.68 -1.26 119.26 130.20 1bvy h ALA 605 Ca -0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bvy h ALA 605 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bvy h ALA 605 CO 0.73 0.05 0.00 0.43 0.00 0.00 0.00 179.25 180.46 1bvy n SER 606 N -3.98 0.00 0.00 0.00 7.64 -1.26 -4.80 113.62 111.22 1bvy n SER 606 Ca -0.03 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.69 1bvy n SER 606 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1bvy n SER 606 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1bvy n ASP 607 N -0.92 0.00 -3.36 6.43 -0.08 -0.49 -5.03 116.55 113.11 1bvy n ASP 607 Ca 0.20 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.18 1bvy n ASP 607 Cb 0.09 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.50 1bvy n ASP 607 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1bvy n ASP 608 N 0.00 4.49 0.24 1.67 2.03 -1.20 -4.88 116.55 118.91 1bvy n ASP 608 Ca 0.00 -3.53 0.06 0.00 0.52 0.00 0.00 54.79 51.84 1bvy n ASP 608 Cb 0.00 -0.73 0.56 0.00 -0.72 0.00 0.00 41.12 40.23 1bvy n ASP 608 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1bvy h PHE 609 N 3.97 0.00 0.00 -0.67 -0.00 -1.85 -2.54 116.94 115.84 1bvy h PHE 609 Ca 0.20 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 58.06 1bvy h PHE 609 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.52 1bvy h PHE 609 CO 0.82 0.11 -0.75 1.49 -0.00 0.00 0.00 178.31 179.98 1bvy h GLU 610 N 0.00 0.00 0.56 6.09 4.81 -1.91 -1.66 114.58 122.48 1bvy h GLU 610 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1bvy h GLU 610 Cb 0.20 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.58 1bvy h GLU 610 CO 0.01 0.40 -0.27 0.78 -0.73 0.00 0.00 179.01 179.20 1bvy h GLY 611 N 3.60 -0.79 0.75 1.92 0.00 -1.87 0.41 103.07 107.09 1bvy h GLY 611 Ca -0.05 0.29 0.07 0.00 0.00 0.00 0.00 47.33 47.65 1bvy h GLY 611 CO 0.05 -0.29 0.63 -0.84 0.00 0.00 0.00 176.54 176.09 1bvy h THR 612 N -0.77 1.06 -0.66 4.70 2.02 -1.60 0.33 112.91 117.99 1bvy h THR 612 Ca -0.08 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.68 1bvy h THR 612 Cb 0.58 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 1bvy h THR 612 CO 0.13 0.20 0.21 0.22 0.37 0.00 0.00 175.52 176.64 1bvy h TYR 613 N 1.10 1.03 -0.22 3.16 3.20 -1.27 -1.04 116.97 122.94 1bvy h TYR 613 Ca 0.43 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 1bvy h TYR 613 Cb 0.22 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1bvy h TYR 613 CO -0.00 0.82 -0.01 1.49 -1.64 0.00 0.00 178.16 178.82 1bvy h GLU 614 N 0.97 0.39 0.42 1.82 4.57 0.10 -2.25 114.58 120.60 1bvy h GLU 614 Ca 0.22 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1bvy h GLU 614 Cb 0.27 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1bvy h GLU 614 CO -0.01 0.59 -0.43 0.93 -1.18 0.00 0.00 179.01 178.91 1bvy h GLU 615 N 0.14 -0.84 -0.95 1.92 5.08 -0.11 -2.41 114.58 117.41 1bvy h GLU 615 Ca 0.06 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.62 1bvy h GLU 615 Cb 0.42 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 1bvy h GLU 615 CO 0.01 -0.56 0.60 2.35 -1.00 0.00 0.00 179.01 180.42 1bvy h TRP 616 N -0.87 0.96 0.55 4.33 7.01 -1.23 -2.44 115.95 124.26 1bvy h TRP 616 Ca -0.04 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 1bvy h TRP 616 Cb 0.77 -0.30 0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1bvy h TRP 616 CO -0.24 0.33 -0.26 -0.09 -2.79 0.00 0.00 178.44 175.39 1bvy h ARG 617 N 0.79 -0.71 0.11 2.65 2.43 -1.21 0.16 114.38 118.59 1bvy h ARG 617 Ca 0.49 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.70 1bvy h ARG 617 Cb 0.70 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1bvy h ARG 617 CO -0.26 -0.41 -0.05 0.93 -1.51 0.00 0.00 179.97 178.68 1bvy h GLU 618 N -0.98 -0.14 -0.94 0.20 4.39 -1.30 0.20 114.58 116.02 1bvy h GLU 618 Ca -0.08 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.77 1bvy h GLU 618 Cb 0.64 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.24 1bvy h GLU 618 CO 0.12 -0.08 0.60 0.45 -1.16 0.00 0.00 179.01 178.94 1bvy h HIS 619 N -0.15 0.96 0.38 4.33 3.86 -1.52 -2.99 115.15 120.01 1bvy h HIS 619 Ca -0.01 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1bvy h HIS 619 Cb 0.12 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.29 1bvy h HIS 619 CO -0.07 0.35 -0.18 1.98 0.86 0.00 0.00 177.93 180.87 1bvy h MET 620 N 0.81 -0.49 -0.87 2.45 1.85 0.10 -1.74 114.93 117.05 1bvy h MET 620 Ca 0.48 0.03 0.13 0.00 -0.61 0.00 0.00 59.70 59.73 1bvy h MET 620 Cb 0.65 0.11 -0.09 0.00 0.43 0.00 0.00 31.60 32.71 1bvy h MET 620 CO -0.24 -0.22 0.48 -1.49 -0.40 0.00 0.00 176.91 175.04 1bvy h TRP 621 N -0.69 0.86 -0.32 1.39 -0.00 -0.89 -1.64 115.95 114.66 1bvy h TRP 621 Ca -0.05 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.82 1bvy h TRP 621 Cb 0.49 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 29.38 1bvy h TRP 621 CO -0.01 0.27 -0.00 0.77 -0.00 0.00 0.00 178.44 179.47 1bvy h SER 622 N 0.73 0.55 -0.54 -3.49 0.02 -1.49 0.40 113.55 109.73 1bvy h SER 622 Ca 0.45 -0.31 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 1bvy h SER 622 Cb 0.56 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 1bvy h SER 622 CO -0.32 0.73 0.16 0.44 -1.14 0.00 0.00 176.83 176.70 1bvy h ASP 623 N 0.36 0.10 0.94 3.07 3.32 -0.38 -0.89 116.42 122.95 1bvy h ASP 623 Ca 0.09 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1bvy h ASP 623 Cb 0.45 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1bvy h ASP 623 CO 0.02 0.08 -0.64 0.58 -1.72 0.00 0.00 179.24 177.56 1bvy h VAL 624 N 0.31 1.27 0.00 -1.35 2.07 -1.31 -2.54 116.25 114.69 1bvy h VAL 624 Ca 0.27 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1bvy h VAL 624 Cb 0.34 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1bvy h VAL 624 CO -0.31 0.62 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1bvy n ALA 625 N -2.33 -0.13 -0.33 1.67 0.00 0.14 -2.07 120.51 117.46 1bvy n ALA 625 Ca -0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1bvy n ALA 625 Cb 0.70 0.06 0.37 0.00 0.00 0.00 0.00 19.45 20.57 1bvy n ALA 625 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bvy h ALA 626 N -1.94 1.45 0.10 0.00 0.00 -1.45 -1.61 119.26 115.80 1bvy h ALA 626 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1bvy h ALA 626 Cb 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1bvy h ALA 626 CO 0.00 -0.65 -0.50 -0.92 0.00 0.00 0.00 179.25 177.18 1bvy h TYR 627 N 0.05 -1.46 0.00 0.00 5.03 -1.34 -3.43 116.97 115.83 1bvy h TYR 627 Ca 0.65 0.04 0.00 0.00 2.58 0.00 0.00 58.73 62.00 1bvy h TYR 627 Cb 1.47 0.62 0.00 0.00 1.55 0.00 0.00 36.73 40.37 1bvy h TYR 627 CO -0.32 -0.58 0.00 1.19 -1.32 0.00 0.00 178.16 177.13 1bvy n PHE 628 N -5.48 0.00 -4.29 -3.82 3.01 -0.64 -5.09 117.46 101.15 1bvy n PHE 628 Ca -0.08 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.08 1bvy n PHE 628 Cb 0.41 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.84 1bvy n PHE 628 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1bvy s ASN 629 N -0.92 4.41 0.00 4.37 6.03 -1.03 -5.02 114.94 122.78 1bvy s ASN 629 Ca 0.00 -1.47 0.00 0.00 -1.03 0.00 0.00 52.86 50.36 1bvy s ASN 629 Cb 0.00 0.60 0.00 0.00 -3.03 0.00 0.00 41.25 38.82 1bvy s ASN 629 CO 0.00 -1.06 0.00 -0.11 -2.03 0.00 0.00 177.10 173.90