#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2blf s PRO 502 N 0.00 1.12 0.24 0.00 0.04 -1.26 -5.05 135.00 130.09 2blf s PRO 502 Ca 0.00 0.56 -0.07 0.00 0.04 0.00 0.00 61.00 61.53 2blf s PRO 502 Cb 0.00 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 2blf s PRO 502 CO 0.00 -2.27 0.53 -0.51 0.04 0.00 0.00 177.00 174.78 2blf s LEU 503 N -6.17 4.13 0.18 -3.56 1.43 -1.26 -5.11 118.68 108.33 2blf s LEU 503 Ca 0.64 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 2blf s LEU 503 Cb -0.17 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 2blf s LEU 503 CO 0.56 -0.11 -0.01 0.42 0.23 0.00 0.00 176.35 177.44 2blf s THR 504 N -1.91 0.81 -0.02 5.49 -4.23 -1.26 -5.16 115.64 109.36 2blf s THR 504 Ca 0.45 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 2blf s THR 504 Cb -0.11 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.62 2blf s THR 504 CO 0.25 -0.49 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.35 2blf s TYR 505 N -3.57 0.38 -0.26 3.99 5.04 -1.26 -5.14 117.35 116.54 2blf s TYR 505 Ca 0.24 -0.06 -0.05 0.00 -2.44 0.00 0.00 57.07 54.76 2blf s TYR 505 Cb 0.06 -0.34 -0.00 0.00 0.35 0.00 0.00 41.96 42.03 2blf s TYR 505 CO 0.04 -0.07 0.02 -2.00 -1.34 0.00 0.00 175.55 172.20 2blf s GLU 506 N 0.40 3.27 0.35 4.97 2.56 -1.26 -5.11 118.70 123.88 2blf s GLU 506 Ca -0.04 -0.72 -0.19 0.00 0.00 0.00 0.00 54.97 54.02 2blf s GLU 506 Cb -0.07 -3.19 -0.10 0.00 2.00 0.00 0.00 34.13 32.77 2blf s GLU 506 CO -0.01 -0.30 0.83 -0.51 -0.56 0.00 0.00 175.26 174.71 2blf s LEU 507 N 1.49 4.08 0.91 2.70 1.43 -1.26 -5.06 118.68 122.98 2blf s LEU 507 Ca 0.04 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.53 2blf s LEU 507 Cb -0.16 -4.18 0.14 0.00 0.03 0.00 0.00 46.19 42.02 2blf s LEU 507 CO -0.00 -0.22 1.10 -2.16 0.23 0.00 0.00 176.35 175.30 2blf s PRO 508 N -2.84 1.09 0.39 1.29 0.04 -1.26 -4.96 135.00 128.75 2blf s PRO 508 Ca 0.55 1.08 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 2blf s PRO 508 Cb -0.11 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 2blf s PRO 508 CO 0.17 -2.43 1.34 -0.51 0.04 0.00 0.00 177.00 175.60 2blf s ASP 509 N -3.09 6.36 0.04 6.66 1.01 -1.26 -4.98 116.67 121.41 2blf s ASP 509 Ca 0.64 2.73 -0.27 0.00 0.71 0.00 0.00 52.55 56.37 2blf s ASP 509 Cb -0.20 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.04 2blf s ASP 509 CO 0.58 -0.83 0.85 -0.70 0.21 0.00 0.00 175.17 175.28 2blf s GLU 510 N -2.16 4.56 0.00 8.23 2.12 -1.26 -4.95 118.70 125.24 2blf s GLU 510 Ca 0.55 1.21 0.00 0.00 0.36 0.00 0.00 54.97 57.10 2blf s GLU 510 Cb -0.40 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.60 2blf s GLU 510 CO 0.52 0.18 0.24 0.25 -0.54 0.00 0.00 175.26 175.91 2blf n THR 511 N 3.11 0.00 -2.05 -1.70 -2.24 -1.26 -5.08 114.28 105.06 2blf n THR 511 Ca 0.01 -0.29 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 2blf n THR 511 Cb 0.50 1.36 -0.02 0.00 -2.10 0.00 0.00 70.33 70.07 2blf n THR 511 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2blf s ALA 512 N -0.09 3.58 0.06 6.98 0.00 -1.26 -5.01 121.76 126.01 2blf s ALA 512 Ca 0.00 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.28 2blf s ALA 512 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 2blf s ALA 512 CO 0.00 -0.71 -0.07 -0.65 0.00 0.00 0.00 175.76 174.33 2blf s GLN 513 N -0.85 0.60 0.50 0.00 -0.21 -1.26 -4.66 119.66 113.78 2blf s GLN 513 Ca 0.56 -0.93 -0.20 0.00 0.02 0.00 0.00 55.36 54.81 2blf s GLN 513 Cb -0.41 -0.22 -0.08 0.00 1.00 0.00 0.00 33.01 33.30 2blf s GLN 513 CO 0.47 0.02 1.04 -0.51 -2.12 0.00 0.00 175.29 174.18 2blf s LEU 514 N -2.03 3.81 -0.06 2.90 1.43 -1.26 -4.92 118.68 118.54 2blf s LEU 514 Ca -0.04 1.90 -0.30 0.00 -1.03 0.00 0.00 54.13 54.67 2blf s LEU 514 Cb -0.05 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 2blf s LEU 514 CO -0.02 -0.81 1.47 -0.54 0.23 0.00 0.00 176.35 176.69 2blf s LYS 515 N -3.34 4.23 0.59 1.70 1.02 -1.26 -4.99 119.74 117.68 2blf s LYS 515 Ca 0.67 1.98 -0.20 0.00 0.02 0.00 0.00 55.97 58.43 2blf s LYS 515 Cb -0.16 -3.79 -0.03 0.00 -0.52 0.00 0.00 37.83 33.33 2blf s LYS 515 CO 0.22 -0.72 1.33 -2.14 -0.92 0.00 0.00 175.35 173.11 2blf s PRO 516 N 3.35 2.88 0.10 -1.68 0.02 -1.26 -5.01 135.00 133.40 2blf s PRO 516 Ca 0.65 2.15 -0.17 0.00 0.02 0.00 0.00 61.00 63.65 2blf s PRO 516 Cb -0.30 -2.07 0.04 0.00 0.02 0.00 0.00 34.50 32.19 2blf s PRO 516 CO 0.25 -1.37 0.42 0.00 -0.33 0.00 0.00 177.00 175.97 2blf s ALA 517 N -1.35 -0.99 -0.71 -1.55 0.00 -1.26 -5.05 121.76 110.85 2blf s ALA 517 Ca 0.77 0.09 0.25 0.00 0.00 0.00 0.00 51.96 53.06 2blf s ALA 517 Cb -0.39 0.60 0.91 0.00 0.00 0.00 0.00 23.12 24.24 2blf s ALA 517 CO 0.44 -0.60 1.75 -0.35 0.00 0.00 0.00 175.76 177.00 2blf n PRO 518 N -0.02 0.18 -2.16 0.00 -0.04 -1.26 -4.73 135.00 126.97 2blf n PRO 518 Ca -0.17 0.26 -0.38 0.00 -0.04 0.00 0.00 63.50 63.17 2blf n PRO 518 Cb 0.63 -1.76 -0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2blf n PRO 518 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2blf s GLN 519 N -3.15 3.77 0.48 0.54 1.11 -1.26 -4.90 119.66 116.24 2blf s GLN 519 Ca 0.09 1.91 0.24 0.00 0.01 0.00 0.00 55.36 57.62 2blf s GLN 519 Cb 0.12 -2.50 1.20 0.00 -1.01 0.00 0.00 33.01 30.82 2blf s GLN 519 CO 0.49 -0.58 1.97 -1.00 0.01 0.00 0.00 175.29 176.17 2blf h PRO 520 N 2.19 0.00 -0.20 2.91 0.13 -1.91 -2.03 132.00 133.09 2blf h PRO 520 Ca -0.49 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.69 2blf h PRO 520 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2blf h PRO 520 CO 0.61 0.19 0.28 0.78 -0.23 0.00 0.00 178.00 179.63 2blf h GLY 521 N 1.25 0.00 0.95 1.56 0.00 -1.91 -2.48 103.07 102.44 2blf h GLY 521 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2blf h GLY 521 CO 0.02 0.00 -0.19 -2.75 0.00 0.00 0.00 176.54 173.63 2blf h PHE 522 N 0.00 -0.48 -0.85 5.60 3.57 -1.65 0.48 116.94 123.61 2blf h PHE 522 Ca 0.10 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2blf h PHE 522 Cb 0.66 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 2blf h PHE 522 CO 0.00 -0.27 0.43 0.93 -2.23 0.00 0.00 178.31 177.17 2blf h GLU 523 N -0.58 1.20 -0.80 1.11 3.07 -1.65 -0.95 114.58 115.98 2blf h GLU 523 Ca -0.05 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 58.63 2blf h GLU 523 Cb 0.43 -0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 2blf h GLU 523 CO 0.09 0.91 0.46 0.00 -1.40 0.00 0.00 179.01 179.06 2blf h ALA 524 N 1.23 1.02 -0.46 3.43 0.00 -1.35 -1.06 119.26 122.07 2blf h ALA 524 Ca 0.29 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2blf h ALA 524 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2blf h ALA 524 CO -0.04 0.51 -0.15 0.00 0.00 0.00 0.00 179.25 179.57 2blf h ALA 525 N 1.24 0.64 -1.00 0.00 0.00 -0.54 -1.31 119.26 118.28 2blf h ALA 525 Ca 0.28 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2blf h ALA 525 Cb 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 2blf h ALA 525 CO -0.05 0.57 0.64 1.96 0.00 0.00 0.00 179.25 182.38 2blf h GLN 526 N 0.76 1.12 0.00 0.00 4.20 -0.71 0.16 115.11 120.64 2blf h GLN 526 Ca 0.11 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2blf h GLN 526 Cb 0.71 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2blf h GLN 526 CO 0.05 0.74 -0.31 0.09 -0.67 0.00 0.00 178.83 178.73 2blf n ASN 527 N -4.52 0.42 0.00 1.46 3.02 -0.44 -4.38 115.26 110.82 2blf n ASN 527 Ca 0.16 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 2blf n ASN 527 Cb 0.20 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 2blf n ASN 527 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2blf n ASN 528 N -1.72 4.25 -1.02 6.41 4.13 -0.53 -4.87 115.26 121.91 2blf n ASN 528 Ca 0.06 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.43 2blf n ASN 528 Cb 0.37 0.38 0.25 0.00 -1.54 0.00 0.00 39.78 39.24 2blf n ASN 528 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2blf n ALA 530 N 1.23 2.36 0.16 0.00 0.00 -1.26 -4.63 120.51 118.37 2blf n ALA 530 Ca 0.19 -0.79 0.01 0.00 0.00 0.00 0.00 53.44 52.85 2blf n ALA 530 Cb 0.54 -0.38 0.24 0.00 0.00 0.00 0.00 19.45 19.86 2blf n ALA 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2blf h ALA 531 N 2.01 1.01 0.00 0.00 0.00 -1.91 -3.34 119.26 117.04 2blf h ALA 531 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2blf h ALA 531 Cb 0.54 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2blf h ALA 531 CO 0.00 0.65 -1.71 0.00 0.00 0.00 0.00 179.25 178.18 2blf s HIS 533 N -2.25 0.25 0.79 0.00 -3.43 -1.25 -5.15 115.29 104.25 2blf s HIS 533 Ca -0.07 -0.65 -0.12 0.00 -0.80 0.00 0.00 55.06 53.42 2blf s HIS 533 Cb 0.03 -0.05 0.07 0.00 -1.43 0.00 0.00 32.58 31.21 2blf s HIS 533 CO 0.41 -0.63 1.15 -1.54 -2.00 0.00 0.00 174.74 172.13 2blf s SER 534 N -2.91 3.96 0.00 7.38 1.04 -1.26 -4.24 113.70 117.67 2blf s SER 534 Ca 0.10 2.13 0.29 0.00 0.48 0.00 0.00 55.95 58.96 2blf s SER 534 Cb 0.04 -2.56 1.34 0.00 0.10 0.00 0.00 66.02 64.94 2blf s SER 534 CO -0.06 -2.41 1.92 1.33 0.98 0.00 0.00 173.24 175.00 2blf n VAL 535 N -3.38 0.00 0.25 5.02 0.24 -1.26 -3.16 118.33 116.04 2blf n VAL 535 Ca 0.11 -0.09 0.15 0.00 -2.04 0.00 0.00 64.34 62.47 2blf n VAL 535 Cb 0.52 -0.05 0.83 0.00 -1.47 0.00 0.00 33.84 33.67 2blf n VAL 535 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2blf h ASP 536 N 0.84 0.00 -0.86 -1.34 3.04 -1.91 -0.53 116.42 115.67 2blf h ASP 536 Ca 0.00 0.00 0.14 0.00 -3.24 0.00 0.00 57.03 53.93 2blf h ASP 536 Cb 0.31 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 38.50 2blf h ASP 536 CO 0.00 0.00 0.46 1.88 -2.04 0.00 0.00 179.24 179.54 2blf h TYR 537 N 0.00 0.81 -0.01 4.15 -1.99 -1.94 -1.88 116.97 116.10 2blf h TYR 537 Ca 0.04 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.76 2blf h TYR 537 Cb 0.21 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 38.72 2blf h TYR 537 CO 0.00 0.21 -0.18 0.82 -0.00 0.00 0.00 178.16 179.01 2blf h ILE 538 N 0.66 1.53 0.00 -2.88 2.04 -1.39 -3.32 117.51 114.16 2blf h ILE 538 Ca 0.46 -1.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 2blf h ILE 538 Cb 0.63 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.39 2blf h ILE 538 CO -0.35 0.50 -0.01 0.78 0.00 0.00 0.00 178.15 179.08 2blf h ASN 539 N -0.51 0.00 0.04 1.72 2.35 -1.04 -2.45 115.58 115.69 2blf h ASN 539 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2blf h ASN 539 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 2blf h ASN 539 CO 0.04 0.01 -0.30 0.35 -1.65 0.00 0.00 177.43 175.87 2blf n THR 540 N -4.32 0.00 -0.71 2.81 -2.24 -0.73 -4.97 114.28 104.13 2blf n THR 540 Ca -0.03 -0.27 -0.31 0.00 -2.27 0.00 0.00 64.05 61.17 2blf n THR 540 Cb 0.09 1.03 0.17 0.00 -2.10 0.00 0.00 70.33 69.53 2blf n THR 540 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2blf s GLN 541 N -2.36 0.92 0.46 -0.78 -1.52 -0.92 -4.92 119.66 110.54 2blf s GLN 541 Ca 0.23 1.48 -0.25 0.00 -1.95 0.00 0.00 55.36 54.88 2blf s GLN 541 Cb 0.19 -1.72 -0.08 0.00 -0.22 0.00 0.00 33.01 31.18 2blf s GLN 541 CO 0.49 -2.68 1.34 -2.30 -0.25 0.00 0.00 175.29 171.89 2blf n PRO 542 N -4.26 1.98 -2.53 2.91 -0.02 -1.26 -4.95 135.00 126.87 2blf n PRO 542 Ca 0.11 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.98 2blf n PRO 542 Cb 0.52 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 2blf n PRO 542 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2blf s PRO 543 N -2.43 3.91 -1.37 0.52 0.04 -1.26 -4.17 135.00 130.23 2blf s PRO 543 Ca 0.63 0.82 -0.06 0.00 0.04 0.00 0.00 61.00 62.43 2blf s PRO 543 Cb -0.47 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 31.90 2blf s PRO 543 CO 0.56 -0.20 0.45 0.41 0.04 0.00 0.00 177.00 178.26 2blf n GLY 544 N -1.48 -0.50 0.18 0.56 0.00 -0.02 -4.88 105.19 99.05 2blf n GLY 544 Ca 0.05 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.19 2blf n GLY 544 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2blf h LYS 545 N -0.96 0.00 0.00 1.61 1.79 -1.77 -3.49 116.57 113.75 2blf h LYS 545 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2blf h LYS 545 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 2blf h LYS 545 CO 0.52 0.40 0.00 0.41 -1.08 0.00 0.00 179.45 179.70 2blf n GLY 546 N -0.24 -3.19 0.09 3.86 0.00 -1.26 -4.52 105.19 99.92 2blf n GLY 546 Ca -0.01 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 43.90 2blf n GLY 546 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2blf h GLN 547 N 0.00 0.15 -1.00 1.61 5.75 -1.94 -2.89 115.11 116.79 2blf h GLN 547 Ca 0.00 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2blf h GLN 547 Cb 0.00 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 2blf h GLN 547 CO 0.00 0.38 0.66 0.00 -2.65 0.00 0.00 178.83 177.22 2blf h ALA 548 N 0.77 1.31 -0.02 3.38 0.00 -1.99 0.48 119.26 123.19 2blf h ALA 548 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2blf h ALA 548 Cb 0.30 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2blf h ALA 548 CO 0.00 0.62 0.01 0.35 0.00 0.00 0.00 179.25 180.23 2blf h PHE 549 N 1.32 0.02 -0.04 0.00 3.57 -1.77 -2.04 116.94 118.01 2blf h PHE 549 Ca 0.38 -0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.67 2blf h PHE 549 Cb -0.09 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2blf h PHE 549 CO -0.00 0.07 -0.85 -1.49 -2.23 0.00 0.00 178.31 173.81 2blf h TRP 550 N -0.03 0.60 -0.56 0.41 4.06 -1.30 -1.68 115.95 117.46 2blf h TRP 550 Ca 0.01 -0.30 0.10 0.00 2.06 0.00 0.00 58.89 60.76 2blf h TRP 550 Cb 0.05 -0.08 -0.08 0.00 -1.00 0.00 0.00 29.16 28.05 2blf h TRP 550 CO -0.06 1.09 0.12 -0.44 -3.56 0.00 0.00 178.44 175.59 2blf h ASP 551 N 0.26 0.00 -0.40 -3.49 3.32 -0.89 -1.48 116.42 113.75 2blf h ASP 551 Ca -0.06 0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 2blf h ASP 551 Cb 1.46 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 41.13 2blf h ASP 551 CO 0.15 0.02 -0.09 0.00 -1.72 0.00 0.00 179.24 177.59 2blf h ALA 552 N 1.44 0.96 -0.02 3.45 0.00 -1.06 -1.27 119.26 122.76 2blf h ALA 552 Ca 0.29 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2blf h ALA 552 Cb 0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2blf h ALA 552 CO -0.37 0.62 0.01 0.93 0.00 0.00 0.00 179.25 180.43 2blf h GLU 553 N 0.76 0.02 -0.49 0.00 4.39 -0.95 -1.05 114.58 117.26 2blf h GLU 553 Ca 0.13 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2blf h GLU 553 Cb 0.59 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2blf h GLU 553 CO 0.04 0.16 0.31 0.28 -1.16 0.00 0.00 179.01 178.63 2blf h VAL 554 N -0.11 1.14 -0.70 3.13 2.07 -1.15 -1.96 116.25 118.66 2blf h VAL 554 Ca 0.01 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 2blf h VAL 554 Cb 0.14 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2blf h VAL 554 CO -0.00 0.14 0.26 1.56 0.02 0.00 0.00 177.57 179.55 2blf h GLN 555 N 0.66 1.04 -0.49 1.57 1.08 -1.16 -2.25 115.11 115.55 2blf h GLN 555 Ca 0.18 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2blf h GLN 555 Cb -0.04 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 2blf h GLN 555 CO -0.04 0.86 0.31 -0.22 -0.95 0.00 0.00 178.83 178.80 2blf h LYS 556 N 1.02 0.66 -0.90 1.46 3.64 -0.86 0.25 116.57 121.85 2blf h LYS 556 Ca 0.23 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2blf h LYS 556 Cb 0.22 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 2blf h LYS 556 CO -0.02 0.46 0.58 0.52 -2.27 0.00 0.00 179.45 178.73 2blf h MET 557 N 0.67 1.07 0.05 1.90 2.86 -0.95 0.16 114.93 120.70 2blf h MET 557 Ca 0.18 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2blf h MET 557 Cb -0.04 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.38 2blf h MET 557 CO -0.04 0.71 -0.03 0.82 1.06 0.00 0.00 176.91 179.44 2blf h ILE 558 N 1.10 1.25 0.20 -1.22 2.04 -1.04 0.33 117.51 120.18 2blf h ILE 558 Ca 0.37 -1.55 -0.32 0.00 1.00 0.00 0.00 64.86 64.36 2blf h ILE 558 Cb 0.05 2.20 0.02 0.00 -0.74 0.00 0.00 36.82 38.35 2blf h ILE 558 CO -0.13 0.36 -1.44 0.11 0.00 0.00 0.00 178.15 177.04 2blf h LYS 559 N -0.83 0.43 0.06 2.37 1.79 -0.47 -2.50 116.57 117.42 2blf h LYS 559 Ca -0.01 -0.74 -0.32 0.00 -2.18 0.00 0.00 60.65 57.40 2blf h LYS 559 Cb 0.65 0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 2blf h LYS 559 CO 0.01 1.35 -1.77 0.28 -1.08 0.00 0.00 179.45 178.24 2blf n VAL 560 N -3.63 1.65 0.99 0.50 0.31 0.54 -4.44 118.33 114.25 2blf n VAL 560 Ca -0.15 -0.37 0.12 0.00 -0.01 0.00 0.00 64.34 63.92 2blf n VAL 560 Cb 1.08 -1.85 0.08 0.00 -0.91 0.00 0.00 33.84 32.23 2blf n VAL 560 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2blf n TYR 561 N -3.92 0.00 -2.41 3.52 4.01 -0.99 -4.99 117.16 112.39 2blf n TYR 561 Ca -0.35 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.26 2blf n TYR 561 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 2blf n TYR 561 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2blf n HIS 562 N 1.04 -0.82 -1.70 -0.72 8.25 -0.52 -4.94 115.22 115.80 2blf n HIS 562 Ca 0.13 0.11 -0.43 0.00 -0.26 0.00 0.00 57.72 57.27 2blf n HIS 562 Cb 0.57 -2.96 -0.03 0.00 1.12 0.00 0.00 29.99 28.68 2blf n HIS 562 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2blf n ALA 563 N -2.06 2.41 -2.05 -1.41 0.00 -0.01 -4.88 120.51 112.51 2blf n ALA 563 Ca -0.13 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 2blf n ALA 563 Cb 0.60 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2blf n ALA 563 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2blf n PRO 564 N 4.82 3.07 -5.01 0.00 -0.04 -1.26 -4.52 135.00 132.06 2blf n PRO 564 Ca 0.17 -2.94 -0.32 0.00 -0.04 0.00 0.00 63.50 60.38 2blf n PRO 564 Cb 0.36 -3.26 -0.17 0.00 -0.04 0.00 0.00 33.50 30.39 2blf n PRO 564 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2blf s VAL 565 N 2.86 1.98 0.87 0.52 1.01 -1.26 -5.11 120.40 121.27 2blf s VAL 565 Ca 0.47 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 2blf s VAL 565 Cb 0.11 -1.73 0.14 0.00 0.00 0.00 0.00 36.38 34.89 2blf s VAL 565 CO -0.04 0.54 1.23 1.51 0.00 0.00 0.00 175.10 178.34 2blf s ASP 566 N 0.51 3.87 0.09 3.32 1.47 -1.26 -4.79 116.67 119.88 2blf s ASP 566 Ca -0.15 0.47 -0.17 0.00 1.18 0.00 0.00 52.55 53.88 2blf s ASP 566 Cb -0.17 -0.76 -0.07 0.00 -0.34 0.00 0.00 42.92 41.58 2blf s ASP 566 CO 0.05 -2.27 1.51 -0.08 0.68 0.00 0.00 175.17 175.07 2blf h GLU 567 N -1.28 0.52 -0.26 2.11 4.81 -2.00 0.04 114.58 118.52 2blf h GLU 567 Ca -0.45 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 58.60 2blf h GLU 567 Cb 1.28 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2blf h GLU 567 CO 0.51 0.69 0.16 0.00 -0.73 0.00 0.00 179.01 179.65 2blf h ALA 568 N 0.81 0.33 -0.67 2.92 0.00 -2.00 -2.03 119.26 118.63 2blf h ALA 568 Ca 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2blf h ALA 568 Cb 0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2blf h ALA 568 CO 0.02 -0.17 0.20 -0.44 0.00 0.00 0.00 179.25 178.86 2blf h ASP 569 N 0.33 0.96 -0.73 0.00 3.32 -1.91 -1.00 116.42 117.40 2blf h ASP 569 Ca 0.09 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.01 2blf h ASP 569 Cb 0.01 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 2blf h ASP 569 CO -0.02 0.90 0.45 0.00 -1.72 0.00 0.00 179.24 178.86 2blf h ALA 570 N 1.23 0.96 -0.27 3.45 0.00 -0.76 0.21 119.26 124.07 2blf h ALA 570 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2blf h ALA 570 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2blf h ALA 570 CO -0.01 0.22 -0.14 -0.22 0.00 0.00 0.00 179.25 179.11 2blf h LYS 571 N 0.87 0.57 -0.75 0.00 3.64 -1.09 -1.62 116.57 118.19 2blf h LYS 571 Ca 0.30 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2blf h LYS 571 Cb 0.04 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 2blf h LYS 571 CO -0.12 0.82 0.49 0.00 -2.27 0.00 0.00 179.45 178.37 2blf h ALA 572 N 0.73 0.96 0.10 5.00 0.00 -0.84 -0.09 119.26 125.12 2blf h ALA 572 Ca 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2blf h ALA 572 Cb 0.66 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2blf h ALA 572 CO 0.04 0.33 -0.05 0.82 0.00 0.00 0.00 179.25 180.39 2blf h ILE 573 N 0.98 1.10 -0.93 0.00 2.04 -0.92 -0.35 117.51 119.42 2blf h ILE 573 Ca 0.28 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.36 2blf h ILE 573 Cb -0.06 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 2blf h ILE 573 CO -0.08 0.20 0.60 0.00 0.00 0.00 0.00 178.15 178.87 2blf h ALA 574 N 0.31 1.26 -0.43 1.87 0.00 -1.20 0.07 119.26 121.15 2blf h ALA 574 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2blf h ALA 574 Cb 0.43 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2blf h ALA 574 CO 0.02 0.41 0.08 -0.44 0.00 0.00 0.00 179.25 179.32 2blf h ASP 575 N 1.12 0.67 -0.29 0.00 3.32 -0.89 -1.15 116.42 119.19 2blf h ASP 575 Ca 0.39 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.20 2blf h ASP 575 Cb 0.09 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2blf h ASP 575 CO -0.15 0.75 0.17 0.22 -1.72 0.00 0.00 179.24 178.51 2blf h TYR 576 N 0.56 0.32 -0.49 4.55 3.20 -0.56 -2.04 116.97 122.52 2blf h TYR 576 Ca 0.13 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 2blf h TYR 576 Cb 0.36 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2blf h TYR 576 CO 0.02 0.19 0.16 -0.07 -1.64 0.00 0.00 178.16 176.83 2blf h LEU 577 N 0.35 0.71 -1.08 2.82 3.38 -0.82 -0.54 115.31 120.13 2blf h LEU 577 Ca 0.11 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2blf h LEU 577 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2blf h LEU 577 CO -0.05 0.72 -0.19 0.00 0.09 0.00 0.00 178.44 179.02 2blf h ALA 578 N 1.02 1.23 0.02 1.53 0.00 -1.12 0.38 119.26 122.32 2blf h ALA 578 Ca 0.16 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 2blf h ALA 578 Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2blf h ALA 578 CO -0.01 0.50 -0.94 -0.22 0.00 0.00 0.00 179.25 178.58 2blf h LYS 579 N 0.39 0.10 0.00 0.00 3.64 -1.13 -3.39 116.57 116.18 2blf h LYS 579 Ca 0.07 -0.14 -0.36 0.00 -1.27 0.00 0.00 60.65 58.95 2blf h LYS 579 Cb 0.55 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 2blf h LYS 579 CO 0.04 0.96 -2.30 2.41 -2.27 0.00 0.00 179.45 178.29 2blf n THR 580 N -3.54 1.45 0.58 1.00 -1.04 -0.23 -5.10 114.28 107.39 2blf n THR 580 Ca -0.02 -0.80 0.07 0.00 -2.04 0.00 0.00 64.05 61.25 2blf n THR 580 Cb 0.86 -0.72 0.06 0.00 -1.82 0.00 0.00 70.33 68.71 2blf n THR 580 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21