#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpb s PRO 502 N 0.00 1.13 0.29 0.00 0.04 -1.26 -5.05 135.00 130.15 2bpb s PRO 502 Ca 0.00 0.64 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 2bpb s PRO 502 Cb 0.00 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 2bpb s PRO 502 CO 0.00 -2.29 0.62 -0.51 0.04 0.00 0.00 177.00 174.87 2bpb s LEU 503 N -6.20 4.06 0.13 -3.56 1.43 -1.26 -5.11 118.68 108.17 2bpb s LEU 503 Ca 0.64 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 2bpb s LEU 503 Cb -0.17 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 2bpb s LEU 503 CO 0.56 -0.19 -0.00 0.42 0.23 0.00 0.00 176.35 177.37 2bpb s THR 504 N -2.01 0.50 -0.02 5.49 -4.23 -1.26 -5.16 115.64 108.94 2bpb s THR 504 Ca 0.48 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2bpb s THR 504 Cb -0.11 -1.94 0.02 0.00 1.34 0.00 0.00 72.50 71.81 2bpb s THR 504 CO 0.25 -0.62 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.23 2bpb s TYR 505 N -3.77 0.31 -0.23 3.99 5.04 -1.26 -5.14 117.35 116.29 2bpb s TYR 505 Ca 0.19 -0.02 -0.05 0.00 -2.44 0.00 0.00 57.07 54.76 2bpb s TYR 505 Cb 0.06 -0.36 -0.02 0.00 0.35 0.00 0.00 41.96 41.99 2bpb s TYR 505 CO 0.00 -0.10 0.00 -2.00 -1.34 0.00 0.00 175.55 172.11 2bpb s GLU 506 N 0.77 3.50 0.22 4.97 2.56 -1.26 -5.11 118.70 124.36 2bpb s GLU 506 Ca -0.08 -0.56 -0.17 0.00 0.00 0.00 0.00 54.97 54.16 2bpb s GLU 506 Cb -0.11 -3.14 -0.08 0.00 2.00 0.00 0.00 34.13 32.80 2bpb s GLU 506 CO -0.01 -0.19 0.67 -0.51 -0.56 0.00 0.00 175.26 174.66 2bpb s LEU 507 N 1.53 4.28 0.85 2.70 1.43 -1.26 -5.06 118.68 123.15 2bpb s LEU 507 Ca 0.06 1.27 -0.11 0.00 -1.03 0.00 0.00 54.13 54.32 2bpb s LEU 507 Cb -0.15 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.57 2bpb s LEU 507 CO -0.00 -0.00 1.14 -2.16 0.23 0.00 0.00 176.35 175.55 2bpb s PRO 508 N -2.22 1.53 0.41 1.29 0.04 -1.26 -4.95 135.00 129.84 2bpb s PRO 508 Ca 0.44 1.45 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 2bpb s PRO 508 Cb -0.15 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2bpb s PRO 508 CO 0.20 -2.24 1.44 -0.51 0.04 0.00 0.00 177.00 175.93 2bpb s ASP 509 N -2.82 6.14 0.13 6.66 1.01 -1.26 -4.98 116.67 121.54 2bpb s ASP 509 Ca 0.66 2.94 -0.30 0.00 0.71 0.00 0.00 52.55 56.56 2bpb s ASP 509 Cb -0.22 -2.66 -0.06 0.00 1.01 0.00 0.00 42.92 40.99 2bpb s ASP 509 CO 0.56 -1.00 1.05 -0.70 0.21 0.00 0.00 175.17 175.29 2bpb s GLU 510 N -2.26 4.61 0.00 8.23 2.12 -1.26 -4.93 118.70 125.21 2bpb s GLU 510 Ca 0.57 1.61 0.00 0.00 0.36 0.00 0.00 54.97 57.51 2bpb s GLU 510 Cb -0.44 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.62 2bpb s GLU 510 CO 0.58 0.09 0.00 0.25 -0.54 0.00 0.00 175.26 175.64 2bpb n THR 511 N 2.76 0.00 -1.74 -1.70 -2.24 -1.26 -5.08 114.28 105.02 2bpb n THR 511 Ca 0.03 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 2bpb n THR 511 Cb 0.48 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 2bpb n THR 511 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bpb s ALA 512 N -0.66 3.92 0.11 6.98 0.00 -1.26 -5.02 121.76 125.84 2bpb s ALA 512 Ca 0.00 1.58 0.05 0.00 0.00 0.00 0.00 51.96 53.59 2bpb s ALA 512 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2bpb s ALA 512 CO 0.00 -0.92 -0.13 -0.65 0.00 0.00 0.00 175.76 174.06 2bpb s GLN 513 N 1.08 0.95 0.49 0.00 -0.21 -1.26 -4.63 119.66 116.07 2bpb s GLN 513 Ca 0.74 -1.19 -0.20 0.00 0.02 0.00 0.00 55.36 54.73 2bpb s GLN 513 Cb -0.49 -0.77 -0.08 0.00 1.00 0.00 0.00 33.01 32.66 2bpb s GLN 513 CO 0.33 0.14 1.03 -0.51 -2.12 0.00 0.00 175.29 174.16 2bpb s LEU 514 N -2.39 3.82 -0.08 2.90 1.43 -1.26 -4.92 118.68 118.19 2bpb s LEU 514 Ca 0.07 1.90 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 2bpb s LEU 514 Cb -0.05 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.57 2bpb s LEU 514 CO 0.02 -0.78 1.50 -0.54 0.23 0.00 0.00 176.35 176.78 2bpb s LYS 515 N -3.31 4.21 0.41 1.70 1.02 -1.26 -4.99 119.74 117.52 2bpb s LYS 515 Ca 0.66 2.00 -0.27 0.00 0.02 0.00 0.00 55.97 58.39 2bpb s LYS 515 Cb -0.16 -3.86 -0.10 0.00 -0.52 0.00 0.00 37.83 33.20 2bpb s LYS 515 CO 0.21 -0.77 1.44 -2.14 -0.92 0.00 0.00 175.35 173.18 2bpb s PRO 516 N 3.65 3.92 0.05 -1.68 0.02 -1.26 -5.01 135.00 134.69 2bpb s PRO 516 Ca 0.67 2.47 -0.06 0.00 0.02 0.00 0.00 61.00 64.10 2bpb s PRO 516 Cb -0.30 -2.82 -0.01 0.00 0.02 0.00 0.00 34.50 31.39 2bpb s PRO 516 CO 0.25 -0.65 0.11 0.00 -0.33 0.00 0.00 177.00 176.38 2bpb s ALA 517 N -1.16 -0.06 -0.80 -1.55 0.00 -1.26 -5.04 121.76 111.89 2bpb s ALA 517 Ca 0.57 -0.61 0.22 0.00 0.00 0.00 0.00 51.96 52.13 2bpb s ALA 517 Cb -0.45 0.30 0.88 0.00 0.00 0.00 0.00 23.12 23.85 2bpb s ALA 517 CO 0.59 -0.36 1.68 -0.35 0.00 0.00 0.00 175.76 177.31 2bpb n PRO 518 N 0.53 0.10 -1.99 0.00 -0.04 -1.26 -4.73 135.00 127.61 2bpb n PRO 518 Ca -0.18 0.25 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 2bpb n PRO 518 Cb 0.60 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2bpb n PRO 518 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2bpb s GLN 519 N -3.11 3.86 0.50 0.54 1.11 -1.26 -4.91 119.66 116.38 2bpb s GLN 519 Ca 0.08 2.20 0.23 0.00 0.01 0.00 0.00 55.36 57.89 2bpb s GLN 519 Cb 0.12 -2.70 1.31 0.00 -1.01 0.00 0.00 33.01 30.72 2bpb s GLN 519 CO 0.41 -0.60 2.04 -1.00 0.01 0.00 0.00 175.29 176.15 2bpb h PRO 520 N 2.52 0.00 -0.05 2.91 0.13 -1.91 -1.81 132.00 133.79 2bpb h PRO 520 Ca -0.50 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2bpb h PRO 520 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bpb h PRO 520 CO 0.62 0.15 0.12 0.78 -0.23 0.00 0.00 178.00 179.44 2bpb h GLY 521 N 0.76 0.00 1.00 1.56 0.00 -1.92 -2.69 103.07 101.79 2bpb h GLY 521 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2bpb h GLY 521 CO 0.02 0.00 -0.17 -2.75 0.00 0.00 0.00 176.54 173.64 2bpb h PHE 522 N 0.00 -0.44 -0.20 5.60 3.57 -1.61 -0.47 116.94 123.39 2bpb h PHE 522 Ca 0.02 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2bpb h PHE 522 Cb 0.27 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2bpb h PHE 522 CO 0.00 -0.27 -0.16 0.93 -2.23 0.00 0.00 178.31 176.58 2bpb h GLU 523 N -0.47 0.33 -0.34 1.11 3.07 -1.69 -1.85 114.58 114.75 2bpb h GLU 523 Ca -0.05 -0.09 -0.16 0.00 -0.50 0.00 0.00 59.36 58.57 2bpb h GLU 523 Cb 0.36 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2bpb h GLU 523 CO 0.08 0.49 -0.40 0.00 -1.40 0.00 0.00 179.01 177.77 2bpb h ALA 524 N 1.54 0.64 -0.28 3.43 0.00 -1.27 -1.88 119.26 121.44 2bpb h ALA 524 Ca 0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2bpb h ALA 524 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bpb h ALA 524 CO 0.03 0.67 0.12 0.00 0.00 0.00 0.00 179.25 180.07 2bpb h ALA 525 N 0.86 0.36 -0.92 0.00 0.00 -0.97 -0.93 119.26 117.66 2bpb h ALA 525 Ca 0.05 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.00 2bpb h ALA 525 Cb 0.98 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 2bpb h ALA 525 CO 0.09 -0.05 0.59 1.96 0.00 0.00 0.00 179.25 181.84 2bpb h GLN 526 N 0.30 0.67 0.00 0.00 4.20 -1.20 0.14 115.11 119.23 2bpb h GLN 526 Ca 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2bpb h GLN 526 Cb 0.17 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2bpb h GLN 526 CO -0.01 0.45 -0.37 0.09 -0.67 0.00 0.00 178.83 178.32 2bpb n ASN 527 N -4.59 0.65 0.00 1.46 3.02 -0.72 -4.47 115.26 110.61 2bpb n ASN 527 Ca 0.19 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 2bpb n ASN 527 Cb 0.50 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 2bpb n ASN 527 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2bpb n ASN 528 N -2.04 3.09 -0.64 6.41 4.13 -0.38 -4.87 115.26 120.96 2bpb n ASN 528 Ca 0.05 -0.03 0.07 0.00 1.68 0.00 0.00 54.58 56.34 2bpb n ASN 528 Cb 0.42 0.68 0.12 0.00 -1.54 0.00 0.00 39.78 39.45 2bpb n ASN 528 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bpb n ALA 530 N 0.72 2.35 0.04 0.00 0.00 -1.26 -4.63 120.51 117.73 2bpb n ALA 530 Ca 0.11 -0.73 -0.01 0.00 0.00 0.00 0.00 53.44 52.80 2bpb n ALA 530 Cb 0.39 -0.20 0.27 0.00 0.00 0.00 0.00 19.45 19.91 2bpb n ALA 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bpb h ALA 531 N 1.05 1.25 0.00 0.00 0.00 -1.91 -3.34 119.26 116.31 2bpb h ALA 531 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 54.91 54.34 2bpb h ALA 531 Cb 0.37 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2bpb h ALA 531 CO 0.00 0.49 -2.08 0.00 0.00 0.00 0.00 179.25 177.66 2bpb s HIS 533 N -2.38 0.52 0.76 0.00 -3.43 -1.25 -5.15 115.29 104.34 2bpb s HIS 533 Ca -0.20 -0.97 -0.12 0.00 -0.80 0.00 0.00 55.06 52.97 2bpb s HIS 533 Cb 0.06 -0.30 0.05 0.00 -1.43 0.00 0.00 32.58 30.96 2bpb s HIS 533 CO 0.50 -0.50 1.12 -1.54 -2.00 0.00 0.00 174.74 172.33 2bpb s SER 534 N -2.95 4.39 0.00 7.38 1.04 -1.26 -4.16 113.70 118.14 2bpb s SER 534 Ca 0.12 2.01 0.29 0.00 0.48 0.00 0.00 55.95 58.85 2bpb s SER 534 Cb 0.07 -2.55 1.31 0.00 0.10 0.00 0.00 66.02 64.95 2bpb s SER 534 CO -0.06 -2.12 1.91 1.33 0.98 0.00 0.00 173.24 175.28 2bpb n VAL 535 N -3.20 0.00 0.24 5.02 0.24 -1.26 -3.02 118.33 116.35 2bpb n VAL 535 Ca 0.10 -0.06 0.16 0.00 -2.04 0.00 0.00 64.34 62.50 2bpb n VAL 535 Cb 0.52 -0.12 0.85 0.00 -1.47 0.00 0.00 33.84 33.62 2bpb n VAL 535 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2bpb h ASP 536 N 0.61 0.00 -0.75 -1.34 3.04 -1.91 -0.70 116.42 115.38 2bpb h ASP 536 Ca 0.00 0.00 0.15 0.00 -3.24 0.00 0.00 57.03 53.94 2bpb h ASP 536 Cb 0.32 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 38.51 2bpb h ASP 536 CO 0.00 0.00 0.25 1.88 -2.04 0.00 0.00 179.24 179.33 2bpb h TYR 537 N 0.00 0.41 -0.00 4.15 -1.99 -1.93 -2.30 116.97 115.31 2bpb h TYR 537 Ca 0.05 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 2bpb h TYR 537 Cb 0.27 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.93 2bpb h TYR 537 CO 0.00 -0.01 -0.05 0.82 -0.00 0.00 0.00 178.16 178.91 2bpb h ILE 538 N 0.36 1.60 -0.13 -2.88 2.04 -1.44 -3.31 117.51 113.75 2bpb h ILE 538 Ca 0.42 -1.83 0.04 0.00 1.00 0.00 0.00 64.86 64.49 2bpb h ILE 538 Cb 0.69 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 2bpb h ILE 538 CO -0.46 0.48 0.10 0.78 0.00 0.00 0.00 178.15 179.05 2bpb h ASN 539 N -0.70 0.00 0.04 1.72 2.35 -1.07 -2.39 115.58 115.53 2bpb h ASN 539 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2bpb h ASN 539 Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 2bpb h ASN 539 CO 0.01 0.00 -0.23 0.35 -1.65 0.00 0.00 177.43 175.91 2bpb n THR 540 N -4.38 0.00 -0.78 2.81 -2.24 -0.88 -4.97 114.28 103.84 2bpb n THR 540 Ca 0.00 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.18 2bpb n THR 540 Cb 0.22 0.97 0.14 0.00 -2.10 0.00 0.00 70.33 69.56 2bpb n THR 540 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bpb n GLN 541 N 0.17 -0.31 -1.71 -0.78 1.13 -0.90 -4.91 117.38 110.06 2bpb n GLN 541 Ca 0.13 -0.04 -0.41 0.00 -1.94 0.00 0.00 57.00 54.74 2bpb n GLN 541 Cb 0.45 -2.13 0.01 0.00 0.11 0.00 0.00 30.24 28.68 2bpb n GLN 541 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2bpb n PRO 542 N -2.92 2.01 -2.40 -1.09 -0.02 -1.26 -4.95 135.00 124.36 2bpb n PRO 542 Ca 0.10 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.97 2bpb n PRO 542 Cb 0.52 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2bpb n PRO 542 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2bpb s PRO 543 N -2.23 3.89 -1.67 0.52 0.04 -1.26 -4.17 135.00 130.11 2bpb s PRO 543 Ca 0.61 0.86 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 2bpb s PRO 543 Cb -0.50 -2.17 0.15 0.00 0.04 0.00 0.00 34.50 32.03 2bpb s PRO 543 CO 0.58 -0.27 0.80 0.41 0.04 0.00 0.00 177.00 178.57 2bpb n GLY 544 N -1.67 -0.46 0.17 0.56 0.00 0.38 -4.88 105.19 99.29 2bpb n GLY 544 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 2bpb n GLY 544 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bpb h LYS 545 N -1.53 0.10 0.00 1.61 1.79 -1.78 -3.49 116.57 113.26 2bpb h LYS 545 Ca -0.58 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 2bpb h LYS 545 Cb 1.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 2bpb h LYS 545 CO 0.76 0.55 0.00 0.41 -1.08 0.00 0.00 179.45 180.09 2bpb n GLY 546 N -0.13 -1.79 0.06 3.86 0.00 -1.26 -4.54 105.19 101.39 2bpb n GLY 546 Ca -0.02 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 2bpb n GLY 546 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2bpb h GLN 547 N 0.00 0.04 -0.78 1.61 5.75 -1.93 -2.75 115.11 117.05 2bpb h GLN 547 Ca 0.00 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2bpb h GLN 547 Cb 0.00 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2bpb h GLN 547 CO 0.00 0.39 0.42 0.00 -2.65 0.00 0.00 178.83 176.99 2bpb h ALA 548 N 0.65 1.27 0.03 3.38 0.00 -1.99 0.43 119.26 123.03 2bpb h ALA 548 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2bpb h ALA 548 Cb 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bpb h ALA 548 CO 0.00 0.59 -0.01 0.35 0.00 0.00 0.00 179.25 180.17 2bpb h PHE 549 N 1.08 -0.03 -0.01 0.00 3.57 -1.78 -1.81 116.94 117.96 2bpb h PHE 549 Ca 0.27 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.58 2bpb h PHE 549 Cb 0.04 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2bpb h PHE 549 CO 0.01 0.04 -0.84 -1.49 -2.23 0.00 0.00 178.31 173.79 2bpb h TRP 550 N -0.10 0.39 -0.39 0.41 4.06 -1.21 -0.61 115.95 118.50 2bpb h TRP 550 Ca -0.00 -0.20 0.06 0.00 2.06 0.00 0.00 58.89 60.80 2bpb h TRP 550 Cb 0.09 -0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.15 2bpb h TRP 550 CO -0.06 0.99 0.09 -0.44 -3.56 0.00 0.00 178.44 175.47 2bpb h ASP 551 N 0.16 0.04 -0.58 -3.49 3.32 -0.91 -1.46 116.42 113.50 2bpb h ASP 551 Ca -0.05 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2bpb h ASP 551 Cb 1.45 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 41.05 2bpb h ASP 551 CO 0.13 0.06 0.17 0.00 -1.72 0.00 0.00 179.24 177.88 2bpb h ALA 552 N 1.29 0.77 0.03 3.45 0.00 -1.00 -1.90 119.26 121.88 2bpb h ALA 552 Ca 0.19 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2bpb h ALA 552 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2bpb h ALA 552 CO -0.23 0.45 -0.11 0.93 0.00 0.00 0.00 179.25 180.29 2bpb h GLU 553 N 0.83 -0.19 -0.32 0.00 4.39 -0.76 -0.87 114.58 117.67 2bpb h GLU 553 Ca 0.19 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.90 2bpb h GLU 553 Cb 0.31 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2bpb h GLU 553 CO -0.00 -0.13 0.20 0.28 -1.16 0.00 0.00 179.01 178.20 2bpb h VAL 554 N -0.20 1.07 -0.81 3.13 2.07 -1.23 -2.08 116.25 118.20 2bpb h VAL 554 Ca 0.03 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2bpb h VAL 554 Cb 0.23 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2bpb h VAL 554 CO -0.09 0.08 0.48 1.56 0.02 0.00 0.00 177.57 179.62 2bpb h GLN 555 N 0.42 1.11 -0.58 1.57 1.08 -1.22 -2.24 115.11 115.25 2bpb h GLN 555 Ca 0.12 -0.10 0.05 0.00 -1.45 0.00 0.00 58.65 57.26 2bpb h GLN 555 Cb -0.04 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.11 2bpb h GLN 555 CO -0.03 0.78 0.31 -0.22 -0.95 0.00 0.00 178.83 178.73 2bpb h LYS 556 N 1.11 0.58 -0.93 1.46 3.64 -0.95 0.36 116.57 121.85 2bpb h LYS 556 Ca 0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2bpb h LYS 556 Cb -0.03 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 2bpb h LYS 556 CO -0.05 0.38 0.60 0.52 -2.27 0.00 0.00 179.45 178.63 2bpb h MET 557 N 0.60 1.24 0.12 1.90 2.86 -0.81 -0.12 114.93 120.72 2bpb h MET 557 Ca 0.26 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2bpb h MET 557 Cb 0.15 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2bpb h MET 557 CO -0.16 0.83 -0.06 0.82 1.06 0.00 0.00 176.91 179.40 2bpb h ILE 558 N 1.27 0.74 -0.08 -1.22 2.04 -1.15 -0.06 117.51 119.04 2bpb h ILE 558 Ca 0.34 -1.25 -0.16 0.00 1.00 0.00 0.00 64.86 64.79 2bpb h ILE 558 Cb -0.12 1.30 0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2bpb h ILE 558 CO -0.07 0.21 -0.56 0.11 0.00 0.00 0.00 178.15 177.85 2bpb h LYS 559 N -0.94 0.53 0.08 2.37 1.79 -0.32 -2.59 116.57 117.48 2bpb h LYS 559 Ca -0.02 -0.45 -0.26 0.00 -2.18 0.00 0.00 60.65 57.74 2bpb h LYS 559 Cb 0.48 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.22 2bpb h LYS 559 CO 0.03 1.09 -1.36 0.28 -1.08 0.00 0.00 179.45 178.40 2bpb h VAL 560 N 0.12 1.00 -0.02 0.50 2.07 -1.18 -3.39 116.25 115.34 2bpb h VAL 560 Ca -0.05 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2bpb h VAL 560 Cb 1.22 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 2bpb h VAL 560 CO 0.11 0.62 -0.39 -1.22 0.02 0.00 0.00 177.57 176.72 2bpb n TYR 561 N -4.04 0.00 -2.50 1.57 4.01 -1.09 -5.00 117.16 110.11 2bpb n TYR 561 Ca -0.27 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.36 2bpb n TYR 561 Cb 0.84 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.88 2bpb n TYR 561 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2bpb n HIS 562 N 0.17 -0.87 -1.69 -0.72 8.25 -0.61 -4.95 115.22 114.80 2bpb n HIS 562 Ca 0.10 0.18 -0.44 0.00 -0.26 0.00 0.00 57.72 57.29 2bpb n HIS 562 Cb 0.47 -2.78 -0.04 0.00 1.12 0.00 0.00 29.99 28.76 2bpb n HIS 562 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bpb n ALA 563 N -2.31 1.88 -2.36 -1.41 0.00 -0.13 -4.88 120.51 111.30 2bpb n ALA 563 Ca -0.09 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.28 2bpb n ALA 563 Cb 0.58 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2bpb n ALA 563 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bpb n PRO 564 N 4.99 3.13 -4.90 0.00 -0.04 -1.26 -4.52 135.00 132.40 2bpb n PRO 564 Ca 0.18 -3.14 -0.30 0.00 -0.04 0.00 0.00 63.50 60.20 2bpb n PRO 564 Cb 0.34 -3.39 -0.17 0.00 -0.04 0.00 0.00 33.50 30.24 2bpb n PRO 564 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bpb s VAL 565 N 3.63 1.81 0.80 0.52 1.01 -1.26 -5.10 120.40 121.82 2bpb s VAL 565 Ca 0.51 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2bpb s VAL 565 Cb 0.06 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.95 2bpb s VAL 565 CO 0.02 0.50 1.15 1.51 0.00 0.00 0.00 175.10 178.29 2bpb s ASP 566 N 0.58 4.37 0.10 3.32 1.47 -1.26 -4.81 116.67 120.44 2bpb s ASP 566 Ca -0.14 0.57 -0.18 0.00 1.18 0.00 0.00 52.55 53.98 2bpb s ASP 566 Cb -0.17 -1.03 -0.06 0.00 -0.34 0.00 0.00 42.92 41.32 2bpb s ASP 566 CO 0.05 -1.95 1.61 -0.08 0.68 0.00 0.00 175.17 175.48 2bpb h GLU 567 N -1.00 0.46 -0.32 2.11 4.81 -2.00 -0.41 114.58 118.23 2bpb h GLU 567 Ca -0.45 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 58.71 2bpb h GLU 567 Cb 1.31 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2bpb h GLU 567 CO 0.59 0.52 0.13 0.00 -0.73 0.00 0.00 179.01 179.52 2bpb h ALA 568 N 0.91 0.37 -0.65 2.92 0.00 -2.00 -2.30 119.26 118.51 2bpb h ALA 568 Ca 0.09 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2bpb h ALA 568 Cb 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2bpb h ALA 568 CO -0.00 -0.26 0.12 -0.44 0.00 0.00 0.00 179.25 178.66 2bpb h ASP 569 N 0.28 1.02 -0.75 0.00 3.32 -1.89 -1.78 116.42 116.62 2bpb h ASP 569 Ca 0.14 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.99 2bpb h ASP 569 Cb 0.09 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 2bpb h ASP 569 CO -0.12 1.00 0.47 0.00 -1.72 0.00 0.00 179.24 178.87 2bpb h ALA 570 N 1.11 0.99 -0.27 3.45 0.00 -0.89 0.11 119.26 123.76 2bpb h ALA 570 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2bpb h ALA 570 Cb 0.42 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2bpb h ALA 570 CO 0.01 0.24 -0.13 -0.22 0.00 0.00 0.00 179.25 179.15 2bpb h LYS 571 N 0.89 0.56 -0.53 0.00 3.64 -1.27 -1.92 116.57 117.95 2bpb h LYS 571 Ca 0.31 -0.25 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2bpb h LYS 571 Cb 0.06 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 2bpb h LYS 571 CO -0.13 0.81 0.23 0.00 -2.27 0.00 0.00 179.45 178.10 2bpb h ALA 572 N 0.74 0.67 0.32 5.00 0.00 -0.87 -1.11 119.26 124.01 2bpb h ALA 572 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2bpb h ALA 572 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2bpb h ALA 572 CO 0.04 -0.14 -0.15 0.82 0.00 0.00 0.00 179.25 179.82 2bpb h ILE 573 N 0.45 0.70 -0.82 0.00 2.04 -0.75 -0.87 117.51 118.27 2bpb h ILE 573 Ca 0.24 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.81 2bpb h ILE 573 Cb 0.21 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 2bpb h ILE 573 CO -0.21 0.07 0.50 0.00 0.00 0.00 0.00 178.15 178.52 2bpb h ALA 574 N -0.02 1.13 -0.32 1.87 0.00 -1.28 0.14 119.26 120.77 2bpb h ALA 574 Ca -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2bpb h ALA 574 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2bpb h ALA 574 CO 0.07 0.22 0.08 -0.44 0.00 0.00 0.00 179.25 179.18 2bpb h ASP 575 N 0.90 0.49 -0.30 0.00 5.19 -1.14 0.06 116.42 121.62 2bpb h ASP 575 Ca 0.36 -0.23 0.02 0.00 -0.62 0.00 0.00 57.03 56.56 2bpb h ASP 575 Cb 0.19 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.54 2bpb h ASP 575 CO -0.18 0.60 0.13 0.22 -3.12 0.00 0.00 179.24 176.89 2bpb h TYR 576 N 0.37 0.23 -0.35 4.55 3.20 -0.76 -2.26 116.97 121.96 2bpb h TYR 576 Ca 0.10 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 2bpb h TYR 576 Cb 0.30 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2bpb h TYR 576 CO 0.02 0.12 0.21 -0.07 -1.64 0.00 0.00 178.16 176.80 2bpb h LEU 577 N 0.28 0.41 -1.25 2.82 3.38 -0.55 -0.04 115.31 120.36 2bpb h LEU 577 Ca 0.13 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2bpb h LEU 577 Cb 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2bpb h LEU 577 CO -0.11 0.33 -0.12 0.00 0.09 0.00 0.00 178.44 178.63 2bpb h ALA 578 N 1.10 1.38 0.06 1.53 0.00 -0.88 0.24 119.26 122.68 2bpb h ALA 578 Ca 0.12 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 2bpb h ALA 578 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2bpb h ALA 578 CO -0.02 0.43 -1.22 -0.22 0.00 0.00 0.00 179.25 178.21 2bpb h LYS 579 N 0.34 0.12 0.04 0.00 3.64 -1.23 -3.40 116.57 116.09 2bpb h LYS 579 Ca 0.07 -0.20 -0.34 0.00 -1.27 0.00 0.00 60.65 58.90 2bpb h LYS 579 Cb 0.43 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 2bpb h LYS 579 CO 0.02 1.04 -2.01 2.41 -2.27 0.00 0.00 179.45 178.64 2bpb n THR 580 N -3.39 1.62 0.45 1.00 -1.04 -0.04 -5.10 114.28 107.76 2bpb n THR 580 Ca -0.07 -0.73 0.05 0.00 -2.04 0.00 0.00 64.05 61.27 2bpb n THR 580 Cb 0.99 -1.22 0.04 0.00 -1.82 0.00 0.00 70.33 68.32 2bpb n THR 580 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21