#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ca4 s PRO 502 N 0.00 1.34 0.19 0.00 0.04 -1.26 -5.05 135.00 130.26 2ca4 s PRO 502 Ca 0.00 0.80 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 2ca4 s PRO 502 Cb 0.00 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.65 2ca4 s PRO 502 CO 0.00 -2.18 0.55 -0.51 0.04 0.00 0.00 177.00 174.90 2ca4 s LEU 503 N -6.18 4.24 0.12 -3.56 1.43 -1.26 -5.09 118.68 108.38 2ca4 s LEU 503 Ca 0.63 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 54.75 2ca4 s LEU 503 Cb -0.18 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2ca4 s LEU 503 CO 0.57 -0.00 -0.10 0.42 0.23 0.00 0.00 176.35 177.47 2ca4 s THR 504 N -1.67 1.05 -0.06 5.49 -4.23 -1.26 -5.15 115.64 109.80 2ca4 s THR 504 Ca 0.43 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2ca4 s THR 504 Cb -0.13 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.06 2ca4 s THR 504 CO 0.20 -0.69 -0.17 -0.47 -0.54 0.00 0.00 174.62 172.96 2ca4 s TYR 505 N -3.03 1.76 -0.36 3.99 5.04 -1.26 -5.12 117.35 118.37 2ca4 s TYR 505 Ca 0.12 -0.59 -0.09 0.00 -2.44 0.00 0.00 57.07 54.07 2ca4 s TYR 505 Cb 0.01 -1.21 0.04 0.00 0.35 0.00 0.00 41.96 41.14 2ca4 s TYR 505 CO -0.00 -0.24 0.17 -2.00 -1.34 0.00 0.00 175.55 172.14 2ca4 s GLU 506 N 0.30 2.73 0.28 4.97 2.56 -1.26 -5.08 118.70 123.19 2ca4 s GLU 506 Ca -0.10 -1.14 -0.28 0.00 0.00 0.00 0.00 54.97 53.45 2ca4 s GLU 506 Cb -0.14 -3.63 -0.09 0.00 2.00 0.00 0.00 34.13 32.26 2ca4 s GLU 506 CO 0.04 -0.70 0.95 -0.51 -0.56 0.00 0.00 175.26 174.48 2ca4 s LEU 507 N 1.49 4.50 0.95 2.70 1.43 -1.26 -5.06 118.68 123.44 2ca4 s LEU 507 Ca 0.01 1.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.91 2ca4 s LEU 507 Cb -0.20 -3.80 0.16 0.00 0.03 0.00 0.00 46.19 42.39 2ca4 s LEU 507 CO 0.05 0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.60 2ca4 s PRO 508 N -1.59 0.81 0.41 1.29 0.04 -1.26 -4.97 135.00 129.73 2ca4 s PRO 508 Ca 0.45 0.65 -0.26 0.00 0.04 0.00 0.00 61.00 61.88 2ca4 s PRO 508 Cb -0.23 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2ca4 s PRO 508 CO 0.29 -2.51 1.40 -0.51 0.04 0.00 0.00 177.00 175.72 2ca4 s ASP 509 N -3.44 6.18 -0.14 6.66 1.01 -1.26 -4.99 116.67 120.69 2ca4 s ASP 509 Ca 0.64 2.88 -0.25 0.00 0.71 0.00 0.00 52.55 56.53 2ca4 s ASP 509 Cb -0.18 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.07 2ca4 s ASP 509 CO 0.57 -0.97 0.82 -0.70 0.21 0.00 0.00 175.17 175.11 2ca4 s GLU 510 N -2.25 4.34 0.00 8.23 2.12 -1.26 -4.93 118.70 124.95 2ca4 s GLU 510 Ca 0.57 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.92 2ca4 s GLU 510 Cb -0.43 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.42 2ca4 s GLU 510 CO 0.56 -0.24 0.16 0.25 -0.54 0.00 0.00 175.26 175.46 2ca4 n THR 511 N 4.50 0.00 -1.98 -1.70 -2.24 -1.26 -5.06 114.28 106.55 2ca4 n THR 511 Ca 0.04 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 2ca4 n THR 511 Cb 0.49 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 2ca4 n THR 511 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ca4 s ALA 512 N -0.40 3.70 0.05 6.98 0.00 -1.26 -5.02 121.76 125.82 2ca4 s ALA 512 Ca 0.00 1.34 0.05 0.00 0.00 0.00 0.00 51.96 53.35 2ca4 s ALA 512 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2ca4 s ALA 512 CO 0.00 -0.76 -0.14 -0.65 0.00 0.00 0.00 175.76 174.22 2ca4 s GLN 513 N 0.51 0.85 0.47 0.00 -0.21 -1.26 -4.65 119.66 115.36 2ca4 s GLN 513 Ca 0.65 -0.84 -0.23 0.00 0.02 0.00 0.00 55.36 54.96 2ca4 s GLN 513 Cb -0.43 -0.84 -0.07 0.00 1.00 0.00 0.00 33.01 32.67 2ca4 s GLN 513 CO 0.36 0.20 1.27 -0.51 -2.12 0.00 0.00 175.29 174.48 2ca4 s LEU 514 N -1.43 4.01 0.10 2.90 1.43 -1.26 -4.93 118.68 119.49 2ca4 s LEU 514 Ca -0.01 2.55 -0.31 0.00 -1.03 0.00 0.00 54.13 55.33 2ca4 s LEU 514 Cb -0.09 -4.17 -0.08 0.00 0.03 0.00 0.00 46.19 41.88 2ca4 s LEU 514 CO 0.02 -1.12 1.51 -0.54 0.23 0.00 0.00 176.35 176.45 2ca4 s LYS 515 N -2.65 4.25 0.37 1.70 1.02 -1.26 -4.98 119.74 118.19 2ca4 s LYS 515 Ca 0.65 2.21 -0.27 0.00 0.02 0.00 0.00 55.97 58.58 2ca4 s LYS 515 Cb -0.35 -3.37 -0.09 0.00 -0.52 0.00 0.00 37.83 33.50 2ca4 s LYS 515 CO 0.43 -0.59 1.25 -2.14 -0.92 0.00 0.00 175.35 173.38 2ca4 s PRO 516 N 1.74 4.15 0.07 -1.68 0.02 -1.26 -5.02 135.00 133.02 2ca4 s PRO 516 Ca 0.69 2.05 -0.08 0.00 0.02 0.00 0.00 61.00 63.68 2ca4 s PRO 516 Cb -0.39 -2.85 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 2ca4 s PRO 516 CO 0.30 -0.31 0.16 0.00 -0.33 0.00 0.00 177.00 176.82 2ca4 s ALA 517 N -1.26 -0.16 -0.09 -1.55 0.00 -1.26 -5.05 121.76 112.38 2ca4 s ALA 517 Ca 0.54 -0.60 0.27 0.00 0.00 0.00 0.00 51.96 52.17 2ca4 s ALA 517 Cb -0.36 0.39 0.86 0.00 0.00 0.00 0.00 23.12 24.02 2ca4 s ALA 517 CO 0.46 -0.44 1.80 -1.00 0.00 0.00 0.00 175.76 176.58 2ca4 h PRO 518 N 3.04 0.00 -6.80 0.00 0.13 -2.02 -3.45 132.00 122.90 2ca4 h PRO 518 Ca -0.33 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.23 2ca4 h PRO 518 Cb 1.19 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.46 2ca4 h PRO 518 CO 0.55 0.07 0.29 1.04 -0.23 0.00 0.00 178.00 179.72 2ca4 n GLN 519 N -3.15 1.41 0.25 0.86 3.00 -1.26 -4.91 117.38 113.58 2ca4 n GLN 519 Ca 0.02 0.51 0.10 0.00 -0.01 0.00 0.00 57.00 57.62 2ca4 n GLN 519 Cb 0.43 -2.24 0.63 0.00 0.00 0.00 0.00 30.24 29.06 2ca4 n GLN 519 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 2ca4 h PRO 520 N 1.34 0.00 0.00 -1.09 0.11 -1.91 -2.62 132.00 127.84 2ca4 h PRO 520 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ca4 h PRO 520 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2ca4 h PRO 520 CO 0.56 0.16 0.00 0.78 -0.21 0.00 0.00 178.00 179.29 2ca4 h GLY 521 N 0.77 0.00 0.76 -0.55 0.00 -1.91 -2.71 103.07 99.43 2ca4 h GLY 521 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2ca4 h GLY 521 CO 0.02 0.00 -0.21 -2.75 0.00 0.00 0.00 176.54 173.60 2ca4 h PHE 522 N 0.00 -0.55 -0.46 5.60 3.57 -1.75 0.58 116.94 123.94 2ca4 h PHE 522 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.52 2ca4 h PHE 522 Cb 0.03 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2ca4 h PHE 522 CO 0.00 -0.24 0.23 0.93 -2.23 0.00 0.00 178.31 177.00 2ca4 h GLU 523 N -0.85 0.45 -0.56 1.11 3.07 -1.73 -1.22 114.58 114.85 2ca4 h GLU 523 Ca -0.06 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2ca4 h GLU 523 Cb 0.56 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 2ca4 h GLU 523 CO 0.10 0.30 0.33 0.00 -1.40 0.00 0.00 179.01 178.33 2ca4 h ALA 524 N 1.24 1.52 -0.38 3.43 0.00 -1.48 -1.78 119.26 121.81 2ca4 h ALA 524 Ca 0.20 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2ca4 h ALA 524 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2ca4 h ALA 524 CO -0.14 0.41 -0.38 0.00 0.00 0.00 0.00 179.25 179.15 2ca4 h ALA 525 N 1.59 0.61 -0.63 0.00 0.00 -0.32 -1.94 119.26 118.56 2ca4 h ALA 525 Ca 0.20 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.72 2ca4 h ALA 525 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2ca4 h ALA 525 CO -0.04 0.68 0.41 1.96 0.00 0.00 0.00 179.25 182.26 2ca4 h GLN 526 N 0.75 0.60 0.00 0.00 4.20 -0.54 0.14 115.11 120.26 2ca4 h GLN 526 Ca 0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2ca4 h GLN 526 Cb 0.97 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2ca4 h GLN 526 CO 0.09 0.40 -0.64 -0.91 -0.67 0.00 0.00 178.83 177.10 2ca4 h ASN 527 N 0.62 0.00 0.00 1.46 2.35 -1.12 -3.40 115.58 115.49 2ca4 h ASN 527 Ca 0.27 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.97 2ca4 h ASN 527 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 2ca4 h ASN 527 CO -0.08 0.01 -1.17 0.59 -1.65 0.00 0.00 177.43 175.13 2ca4 n ASN 528 N -2.71 4.26 -0.83 5.81 4.13 -0.75 -4.83 115.26 120.34 2ca4 n ASN 528 Ca 0.02 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.37 2ca4 n ASN 528 Cb 0.53 0.93 0.14 0.00 -1.54 0.00 0.00 39.78 39.84 2ca4 n ASN 528 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ca4 n ALA 530 N 1.04 2.57 0.09 0.00 0.00 -1.26 -4.65 120.51 118.29 2ca4 n ALA 530 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2ca4 n ALA 530 Cb 0.48 -0.25 0.31 0.00 0.00 0.00 0.00 19.45 19.98 2ca4 n ALA 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ca4 h ALA 531 N 1.38 1.34 0.00 0.00 0.00 -1.90 -3.29 119.26 116.79 2ca4 h ALA 531 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2ca4 h ALA 531 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ca4 h ALA 531 CO 0.00 0.45 -1.66 0.00 0.00 0.00 0.00 179.25 178.04 2ca4 s HIS 533 N -2.86 -0.47 0.93 0.00 -3.43 -1.24 -5.16 115.29 103.06 2ca4 s HIS 533 Ca -0.05 0.35 -0.10 0.00 -0.80 0.00 0.00 55.06 54.45 2ca4 s HIS 533 Cb 0.08 0.45 0.15 0.00 -1.43 0.00 0.00 32.58 31.83 2ca4 s HIS 533 CO 0.56 -0.76 1.14 -1.54 -2.00 0.00 0.00 174.74 172.13 2ca4 s SER 534 N -2.48 2.85 0.00 7.38 1.04 -1.26 -4.25 113.70 116.97 2ca4 s SER 534 Ca -0.01 2.12 0.27 0.00 0.48 0.00 0.00 55.95 58.82 2ca4 s SER 534 Cb -0.00 -2.55 0.94 0.00 0.10 0.00 0.00 66.02 64.51 2ca4 s SER 534 CO -0.09 -3.14 1.68 1.33 0.98 0.00 0.00 173.24 174.00 2ca4 n VAL 535 N -4.25 0.00 0.32 5.02 0.24 -1.26 -3.30 118.33 115.09 2ca4 n VAL 535 Ca 0.11 -0.23 0.19 0.00 -2.04 0.00 0.00 64.34 62.37 2ca4 n VAL 535 Cb 0.52 0.53 1.06 0.00 -1.47 0.00 0.00 33.84 34.48 2ca4 n VAL 535 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2ca4 h ASP 536 N 2.21 0.00 -0.96 -1.34 3.04 -1.92 -0.73 116.42 116.72 2ca4 h ASP 536 Ca 0.00 0.00 0.11 0.00 -3.24 0.00 0.00 57.03 53.90 2ca4 h ASP 536 Cb 0.53 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.74 2ca4 h ASP 536 CO 0.00 0.01 0.61 1.88 -2.04 0.00 0.00 179.24 179.70 2ca4 h TYR 537 N 0.00 1.07 0.09 4.15 -1.99 -1.94 -2.13 116.97 116.21 2ca4 h TYR 537 Ca -0.00 0.03 -0.15 0.00 2.00 0.00 0.00 58.73 60.61 2ca4 h TYR 537 Cb 0.05 -0.34 0.02 0.00 2.00 0.00 0.00 36.73 38.45 2ca4 h TYR 537 CO 0.00 0.46 -0.65 0.82 -0.00 0.00 0.00 178.16 178.78 2ca4 h ILE 538 N 0.96 1.52 0.00 -2.88 2.04 -1.42 -3.33 117.51 114.39 2ca4 h ILE 538 Ca 0.46 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.95 2ca4 h ILE 538 Cb 0.45 3.05 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 2ca4 h ILE 538 CO -0.22 0.67 -0.03 0.78 0.00 0.00 0.00 178.15 179.35 2ca4 h ASN 539 N -0.37 0.00 -0.03 1.72 2.35 -1.16 -2.75 115.58 115.34 2ca4 h ASN 539 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2ca4 h ASN 539 Cb 1.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.83 2ca4 h ASN 539 CO 0.12 0.03 -0.00 0.35 -1.65 0.00 0.00 177.43 176.28 2ca4 n THR 540 N -4.03 0.00 -0.96 2.81 -2.24 -0.82 -4.98 114.28 104.07 2ca4 n THR 540 Ca -0.03 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.94 2ca4 n THR 540 Cb 0.11 1.47 0.13 0.00 -2.10 0.00 0.00 70.33 69.94 2ca4 n THR 540 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2ca4 s GLN 541 N -1.88 1.58 0.40 -0.78 -1.52 -1.04 -4.94 119.66 111.48 2ca4 s GLN 541 Ca 0.26 1.36 -0.27 0.00 -1.95 0.00 0.00 55.36 54.76 2ca4 s GLN 541 Cb 0.19 -1.81 -0.10 0.00 -0.22 0.00 0.00 33.01 31.07 2ca4 s GLN 541 CO 0.28 -2.18 1.48 -2.14 -0.25 0.00 0.00 175.29 172.49 2ca4 s PRO 542 N -4.77 4.00 0.36 2.91 0.02 -1.26 -4.95 135.00 131.31 2ca4 s PRO 542 Ca 0.64 2.56 -0.22 0.00 0.02 0.00 0.00 61.00 64.00 2ca4 s PRO 542 Cb -0.20 -2.89 -0.10 0.00 0.02 0.00 0.00 34.50 31.33 2ca4 s PRO 542 CO 0.57 -0.62 0.90 -1.25 -0.33 0.00 0.00 177.00 176.27 2ca4 s PRO 543 N -2.19 4.31 -1.29 5.54 0.04 -1.26 -4.12 135.00 136.02 2ca4 s PRO 543 Ca 0.55 1.10 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 2ca4 s PRO 543 Cb -0.46 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2ca4 s PRO 543 CO 0.62 0.13 0.24 0.41 0.04 0.00 0.00 177.00 178.44 2ca4 n GLY 544 N -0.11 -0.27 0.18 0.56 0.00 -0.00 -4.92 105.19 100.62 2ca4 n GLY 544 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 2ca4 n GLY 544 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ca4 h LYS 545 N -0.54 0.31 0.00 1.61 1.79 -1.79 -3.49 116.57 114.45 2ca4 h LYS 545 Ca -0.40 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 57.86 2ca4 h LYS 545 Cb 1.28 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2ca4 h LYS 545 CO 0.45 0.82 0.00 0.41 -1.08 0.00 0.00 179.45 180.05 2ca4 n GLY 546 N 0.29 -2.34 0.29 3.86 0.00 -1.26 -4.57 105.19 101.46 2ca4 n GLY 546 Ca -0.03 -1.99 -0.15 0.00 0.00 0.00 0.00 46.02 43.85 2ca4 n GLY 546 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ca4 h GLN 547 N 0.00 -0.59 -0.52 1.61 5.75 -1.93 -2.91 115.11 116.52 2ca4 h GLN 547 Ca 0.00 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.60 2ca4 h GLN 547 Cb 0.00 0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 2ca4 h GLN 547 CO 0.00 -0.39 0.24 0.00 -2.65 0.00 0.00 178.83 176.03 2ca4 h ALA 548 N -0.03 0.67 -0.07 3.38 0.00 -1.99 -0.06 119.26 121.17 2ca4 h ALA 548 Ca -0.03 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2ca4 h ALA 548 Cb 0.51 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2ca4 h ALA 548 CO 0.02 -0.12 -0.27 0.35 0.00 0.00 0.00 179.25 179.23 2ca4 h PHE 549 N 0.47 -0.72 -0.08 0.00 3.57 -1.79 -1.87 116.94 116.51 2ca4 h PHE 549 Ca 0.24 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.60 2ca4 h PHE 549 Cb 0.19 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2ca4 h PHE 549 CO -0.12 -0.35 -0.66 -1.49 -2.23 0.00 0.00 178.31 173.45 2ca4 h TRP 550 N -0.37 0.46 -0.57 0.41 4.06 -1.27 -0.45 115.95 118.22 2ca4 h TRP 550 Ca 0.08 -0.19 0.07 0.00 2.06 0.00 0.00 58.89 60.91 2ca4 h TRP 550 Cb 0.49 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.52 2ca4 h TRP 550 CO -0.33 0.91 0.25 -0.44 -3.56 0.00 0.00 178.44 175.26 2ca4 h ASP 551 N 0.25 0.30 -0.37 -3.49 3.32 -0.99 -0.33 116.42 115.11 2ca4 h ASP 551 Ca -0.02 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 2ca4 h ASP 551 Cb 1.21 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2ca4 h ASP 551 CO 0.11 0.20 -0.19 0.00 -1.72 0.00 0.00 179.24 177.64 2ca4 h ALA 552 N 1.35 0.52 0.14 3.45 0.00 -0.88 -1.65 119.26 122.20 2ca4 h ALA 552 Ca 0.27 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ca4 h ALA 552 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ca4 h ALA 552 CO -0.24 0.47 -0.14 0.93 0.00 0.00 0.00 179.25 180.27 2ca4 h GLU 553 N 0.58 -0.30 -0.58 0.00 4.39 -0.81 -1.80 114.58 116.04 2ca4 h GLU 553 Ca 0.08 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.86 2ca4 h GLU 553 Cb 0.74 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 2ca4 h GLU 553 CO 0.06 -0.20 0.30 0.28 -1.16 0.00 0.00 179.01 178.28 2ca4 h VAL 554 N -0.32 0.94 -0.71 3.13 2.07 -1.05 -2.12 116.25 118.20 2ca4 h VAL 554 Ca 0.00 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2ca4 h VAL 554 Cb 0.30 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2ca4 h VAL 554 CO -0.04 0.10 0.18 1.56 0.02 0.00 0.00 177.57 179.40 2ca4 h GLN 555 N 0.57 1.12 -0.89 1.57 1.08 -1.10 -2.23 115.11 115.23 2ca4 h GLN 555 Ca 0.26 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2ca4 h GLN 555 Cb 0.18 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 2ca4 h GLN 555 CO -0.18 0.98 0.51 -0.22 -0.95 0.00 0.00 178.83 178.97 2ca4 h LYS 556 N 1.07 1.24 -0.70 1.46 3.64 -1.11 0.39 116.57 122.55 2ca4 h LYS 556 Ca 0.22 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2ca4 h LYS 556 Cb 0.36 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2ca4 h LYS 556 CO 0.00 0.89 0.41 0.52 -2.27 0.00 0.00 179.45 179.01 2ca4 h MET 557 N 1.24 0.95 0.09 1.90 2.86 -0.80 -1.55 114.93 119.62 2ca4 h MET 557 Ca 0.32 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2ca4 h MET 557 Cb 0.00 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.47 2ca4 h MET 557 CO -0.05 0.68 -0.04 0.82 1.06 0.00 0.00 176.91 179.38 2ca4 h ILE 558 N 0.95 1.16 0.00 -1.22 2.04 -1.02 0.20 117.51 119.62 2ca4 h ILE 558 Ca 0.25 -1.24 -0.22 0.00 1.00 0.00 0.00 64.86 64.66 2ca4 h ILE 558 Cb -0.02 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2ca4 h ILE 558 CO -0.05 0.29 -1.04 0.11 0.00 0.00 0.00 178.15 177.46 2ca4 h LYS 559 N -0.72 0.00 0.00 2.37 1.79 -0.24 -2.73 116.57 117.04 2ca4 h LYS 559 Ca -0.01 -0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.15 2ca4 h LYS 559 Cb 0.56 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.16 2ca4 h LYS 559 CO 0.02 0.97 -2.14 0.28 -1.08 0.00 0.00 179.45 177.50 2ca4 n VAL 560 N -3.33 1.15 0.99 0.50 0.31 -0.60 -4.56 118.33 112.78 2ca4 n VAL 560 Ca -0.01 -0.41 0.11 0.00 -0.01 0.00 0.00 64.34 64.01 2ca4 n VAL 560 Cb 0.95 -1.30 -0.04 0.00 -0.91 0.00 0.00 33.84 32.53 2ca4 n VAL 560 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2ca4 n TYR 561 N -3.23 0.00 -2.54 3.52 4.01 -1.12 -4.99 117.16 112.81 2ca4 n TYR 561 Ca -0.36 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.25 2ca4 n TYR 561 Cb 0.86 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.90 2ca4 n TYR 561 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2ca4 n HIS 562 N -0.53 -0.97 -1.67 -0.72 8.25 -0.80 -4.96 115.22 113.82 2ca4 n HIS 562 Ca 0.07 0.20 -0.48 0.00 -0.26 0.00 0.00 57.72 57.25 2ca4 n HIS 562 Cb 0.42 -2.97 -0.05 0.00 1.12 0.00 0.00 29.99 28.51 2ca4 n HIS 562 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ca4 n ALA 563 N -2.41 0.82 -1.63 -1.41 0.00 -0.01 -4.87 120.51 111.00 2ca4 n ALA 563 Ca -0.09 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 2ca4 n ALA 563 Cb 0.59 -2.36 -0.01 0.00 0.00 0.00 0.00 19.45 17.67 2ca4 n ALA 563 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ca4 n PRO 564 N 4.48 3.00 -4.74 0.00 -0.04 -1.26 -4.48 135.00 131.95 2ca4 n PRO 564 Ca 0.20 -2.50 -0.33 0.00 -0.04 0.00 0.00 63.50 60.82 2ca4 n PRO 564 Cb 0.27 -3.18 -0.14 0.00 -0.04 0.00 0.00 33.50 30.40 2ca4 n PRO 564 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ca4 s VAL 565 N 3.03 3.04 0.73 0.52 1.01 -1.26 -5.08 120.40 122.39 2ca4 s VAL 565 Ca 0.52 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2ca4 s VAL 565 Cb 0.15 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 34.28 2ca4 s VAL 565 CO -0.08 0.52 1.11 1.51 0.00 0.00 0.00 175.10 178.17 2ca4 s ASP 566 N 0.40 5.15 0.20 3.32 1.47 -1.26 -4.85 116.67 121.10 2ca4 s ASP 566 Ca -0.10 0.99 -0.11 0.00 1.18 0.00 0.00 52.55 54.51 2ca4 s ASP 566 Cb -0.16 -1.70 0.20 0.00 -0.34 0.00 0.00 42.92 40.92 2ca4 s ASP 566 CO 0.05 -1.51 1.80 -0.08 0.68 0.00 0.00 175.17 176.11 2ca4 h GLU 567 N -0.76 0.60 -0.60 2.11 4.81 -2.00 0.64 114.58 119.39 2ca4 h GLU 567 Ca -0.45 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 2ca4 h GLU 567 Cb 1.28 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2ca4 h GLU 567 CO 0.64 0.40 0.18 0.00 -0.73 0.00 0.00 179.01 179.50 2ca4 h ALA 568 N 1.32 0.78 -0.34 2.92 0.00 -2.00 -2.03 119.26 119.92 2ca4 h ALA 568 Ca 0.27 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2ca4 h ALA 568 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2ca4 h ALA 568 CO -0.17 0.46 -0.39 -0.44 0.00 0.00 0.00 179.25 178.70 2ca4 h ASP 569 N 0.85 0.87 -0.39 0.00 5.19 -1.89 -1.79 116.42 119.26 2ca4 h ASP 569 Ca 0.19 -0.40 0.04 0.00 -0.62 0.00 0.00 57.03 56.25 2ca4 h ASP 569 Cb 0.29 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.52 2ca4 h ASP 569 CO -0.01 1.15 0.15 0.00 -3.12 0.00 0.00 179.24 177.42 2ca4 h ALA 570 N 0.88 0.46 -0.36 3.45 0.00 -0.72 0.22 119.26 123.19 2ca4 h ALA 570 Ca 0.05 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ca4 h ALA 570 Cb 0.96 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2ca4 h ALA 570 CO 0.09 -0.24 0.06 -0.22 0.00 0.00 0.00 179.25 178.95 2ca4 h LYS 571 N 0.32 0.58 -0.35 0.00 3.64 -1.28 -1.08 116.57 118.40 2ca4 h LYS 571 Ca 0.18 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2ca4 h LYS 571 Cb 0.14 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2ca4 h LYS 571 CO -0.17 0.65 0.21 0.00 -2.27 0.00 0.00 179.45 177.87 2ca4 h ALA 572 N 0.91 0.44 -0.15 5.00 0.00 -1.01 -0.24 119.26 124.21 2ca4 h ALA 572 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2ca4 h ALA 572 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2ca4 h ALA 572 CO 0.01 -0.07 0.07 0.82 0.00 0.00 0.00 179.25 180.08 2ca4 h ILE 573 N 0.45 1.12 -0.78 0.00 2.04 -0.51 -1.07 117.51 118.77 2ca4 h ILE 573 Ca 0.12 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2ca4 h ILE 573 Cb -0.00 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2ca4 h ILE 573 CO -0.02 0.11 0.44 0.00 0.00 0.00 0.00 178.15 178.68 2ca4 h ALA 574 N 0.94 0.99 -0.54 1.87 0.00 -0.98 0.29 119.26 121.84 2ca4 h ALA 574 Ca 0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2ca4 h ALA 574 Cb 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2ca4 h ALA 574 CO -0.01 0.49 -0.09 -0.44 0.00 0.00 0.00 179.25 179.20 2ca4 h ASP 575 N 1.07 1.01 -0.46 0.00 3.32 -0.94 -0.60 116.42 119.82 2ca4 h ASP 575 Ca 0.28 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2ca4 h ASP 575 Cb 0.01 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2ca4 h ASP 575 CO -0.05 1.11 0.28 0.22 -1.72 0.00 0.00 179.24 179.08 2ca4 h TYR 576 N 0.90 0.60 -0.23 4.55 3.20 -0.68 -2.09 116.97 123.21 2ca4 h TYR 576 Ca 0.14 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2ca4 h TYR 576 Cb 0.65 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2ca4 h TYR 576 CO 0.04 0.41 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.84 2ca4 h LEU 577 N 0.61 0.46 -1.52 2.82 3.38 -0.73 -1.08 115.31 119.25 2ca4 h LEU 577 Ca 0.17 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2ca4 h LEU 577 Cb -0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2ca4 h LEU 577 CO -0.03 0.73 -0.22 0.00 0.09 0.00 0.00 178.44 179.01 2ca4 h ALA 578 N 0.75 1.60 0.00 1.53 0.00 -1.06 0.83 119.26 122.92 2ca4 h ALA 578 Ca 0.06 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2ca4 h ALA 578 Cb 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2ca4 h ALA 578 CO 0.02 0.30 -0.87 -0.22 0.00 0.00 0.00 179.25 178.48 2ca4 h LYS 579 N 0.03 0.00 0.00 0.00 3.64 -1.28 -3.40 116.57 115.56 2ca4 h LYS 579 Ca 0.00 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 2ca4 h LYS 579 Cb 0.40 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2ca4 h LYS 579 CO 0.03 0.55 -1.89 2.41 -2.27 0.00 0.00 179.45 178.28 2ca4 n THR 580 N -3.16 0.84 0.36 1.00 -1.04 -0.42 -5.09 114.28 106.77 2ca4 n THR 580 Ca -0.02 -0.55 0.04 0.00 -2.04 0.00 0.00 64.05 61.49 2ca4 n THR 580 Cb 0.82 -0.58 0.04 0.00 -1.82 0.00 0.00 70.33 68.78 2ca4 n THR 580 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21