#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9y s PHE 524 N 0.00 3.69 -0.01 -0.32 0.40 -1.26 -5.05 117.98 115.43 2k9y s PHE 524 Ca 0.00 1.24 -0.29 0.00 -0.60 0.00 0.00 56.93 57.28 2k9y s PHE 524 Cb 0.00 -2.50 0.11 0.00 0.51 0.00 0.00 43.02 41.15 2k9y s PHE 524 CO 0.00 0.45 1.27 1.14 0.70 0.00 0.00 175.22 178.79 2k9y s GLN 525 N -1.68 0.44 0.19 0.44 -2.07 -1.26 -5.19 119.66 110.54 2k9y s GLN 525 Ca 0.37 -0.26 -0.17 0.00 -1.82 0.00 0.00 55.36 53.47 2k9y s GLN 525 Cb -0.17 0.14 0.03 0.00 -1.09 0.00 0.00 33.01 31.92 2k9y s GLN 525 CO 0.20 -0.21 0.52 0.95 -1.32 0.00 0.00 175.29 175.43 2k9y s THR 526 N -2.31 0.03 -0.30 3.63 -4.23 -1.26 -5.14 115.64 106.06 2k9y s THR 526 Ca 0.19 -0.79 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 2k9y s THR 526 Cb 0.03 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 2k9y s THR 526 CO -0.02 -0.12 0.21 -0.76 -0.54 0.00 0.00 174.62 173.39 2k9y s LEU 527 N -2.88 4.18 0.20 4.79 2.01 -1.26 -5.08 118.68 120.65 2k9y s LEU 527 Ca 0.09 -0.13 0.09 0.00 0.01 0.00 0.00 54.13 54.19 2k9y s LEU 527 Cb -0.01 -2.14 -0.04 0.00 0.01 0.00 0.00 46.19 44.01 2k9y s LEU 527 CO -0.03 -0.12 -0.07 -0.44 1.01 0.00 0.00 176.35 176.71 2k9y s SER 528 N 1.74 4.35 0.33 2.29 0.01 -1.26 -5.11 113.70 116.05 2k9y s SER 528 Ca 0.07 -0.59 -0.28 0.00 1.31 0.00 0.00 55.95 56.46 2k9y s SER 528 Cb -0.16 -0.77 -0.10 0.00 0.21 0.00 0.00 66.02 65.20 2k9y s SER 528 CO 0.11 0.08 1.22 -2.16 0.41 0.00 0.00 173.24 172.89 2k9y s PRO 529 N -3.06 4.39 -0.27 12.44 0.04 -1.26 -5.03 135.00 142.24 2k9y s PRO 529 Ca 0.27 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.33 2k9y s PRO 529 Cb -0.08 -3.04 0.14 0.00 0.04 0.00 0.00 34.50 31.56 2k9y s PRO 529 CO 0.17 -0.09 0.35 -1.83 0.04 0.00 0.00 177.00 175.64 2k9y s GLU 530 N -1.78 0.35 0.00 4.56 -1.05 -1.26 -4.99 118.70 114.54 2k9y s GLU 530 Ca 0.49 0.14 0.00 0.00 -0.15 0.00 0.00 54.97 55.45 2k9y s GLU 530 Cb -0.36 -0.53 0.00 0.00 -0.44 0.00 0.00 34.13 32.81 2k9y s GLU 530 CO 0.47 -0.91 0.00 0.41 0.95 0.00 0.00 175.26 176.18 2k9y n GLY 531 N 5.34 0.00 0.06 -3.83 0.00 -1.26 -4.97 105.19 100.53 2k9y n GLY 531 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 2k9y n GLY 531 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k9y n SER 532 N 0.00 1.39 0.00 1.61 3.41 -1.26 -5.04 113.62 113.74 2k9y n SER 532 Ca 0.00 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2k9y n SER 532 Cb 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2k9y n SER 532 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k9y n GLY 533 N 1.59 4.18 0.11 5.00 0.00 -1.26 -5.01 105.19 109.80 2k9y n GLY 533 Ca -0.07 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.51 2k9y n GLY 533 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k9y n ASN 534 N 0.00 0.85 0.24 1.61 3.02 -1.26 -3.82 115.26 115.90 2k9y n ASN 534 Ca 0.00 0.34 0.16 0.00 -0.03 0.00 0.00 54.58 55.05 2k9y n ASN 534 Cb 0.00 0.37 0.57 0.00 -0.61 0.00 0.00 39.78 40.11 2k9y n ASN 534 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2k9y h LEU 535 N 0.00 0.00 -0.90 3.41 -0.00 -2.02 -2.97 115.31 112.83 2k9y h LEU 535 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.74 2k9y h LEU 535 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.81 2k9y h LEU 535 CO 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 178.44 178.22 2k9y h ALA 536 N 2.06 1.07 -0.12 1.53 0.00 -1.94 -2.59 119.26 119.27 2k9y h ALA 536 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2k9y h ALA 536 Cb 0.57 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k9y h ALA 536 CO 0.00 0.57 0.26 0.28 0.00 0.00 0.00 179.25 180.36 2k9y h VAL 537 N 0.48 0.19 0.94 0.00 2.07 -1.74 -2.45 116.25 115.75 2k9y h VAL 537 Ca 0.07 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 2k9y h VAL 537 Cb 0.66 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2k9y h VAL 537 CO 0.05 0.00 -0.45 0.40 0.02 0.00 0.00 177.57 177.59 2k9y h ILE 538 N 0.00 0.00 -0.76 4.57 2.04 -1.64 -2.35 117.51 119.37 2k9y h ILE 538 Ca 0.06 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2k9y h ILE 538 Cb 0.59 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 2k9y h ILE 538 CO -0.00 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.88 2k9y h GLY 539 N -1.29 1.08 0.18 5.37 0.00 -1.62 0.19 103.07 106.98 2k9y h GLY 539 Ca -0.13 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 46.89 2k9y h GLY 539 CO 0.21 0.37 -0.12 -1.33 0.00 0.00 0.00 176.54 175.68 2k9y h GLY 540 N 1.01 0.24 0.17 4.60 0.00 -1.47 0.34 103.07 107.96 2k9y h GLY 540 Ca 0.28 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 2k9y h GLY 540 CO -0.07 -0.16 -0.04 -2.08 0.00 0.00 0.00 176.54 174.19 2k9y h VAL 541 N -0.03 0.94 -0.02 4.60 2.07 -1.20 -2.45 116.25 120.16 2k9y h VAL 541 Ca 0.19 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 66.26 2k9y h VAL 541 Cb 0.32 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 2k9y h VAL 541 CO -0.42 0.29 -0.47 0.00 0.02 0.00 0.00 177.57 176.99 2k9y h ALA 542 N -0.37 -0.88 -0.26 1.67 0.00 -0.55 0.11 119.26 118.98 2k9y h ALA 542 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2k9y h ALA 542 Cb 0.55 0.90 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 2k9y h ALA 542 CO 0.02 -1.03 -0.02 0.28 0.00 0.00 0.00 179.25 178.49 2k9y h VAL 543 N -0.57 0.79 -0.91 0.00 2.07 -0.49 -1.60 116.25 115.53 2k9y h VAL 543 Ca 0.01 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.71 2k9y h VAL 543 Cb 0.62 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 2k9y h VAL 543 CO -0.32 0.01 0.59 1.23 0.02 0.00 0.00 177.57 179.10 2k9y h GLY 544 N 0.05 1.02 1.21 2.17 0.00 -0.97 0.02 103.07 106.57 2k9y h GLY 544 Ca 0.12 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 2k9y h GLY 544 CO -0.23 0.00 -0.32 -2.08 0.00 0.00 0.00 176.54 173.91 2k9y h VAL 545 N 0.49 1.27 -0.07 4.60 2.07 -0.01 -2.73 116.25 121.87 2k9y h VAL 545 Ca 0.48 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2k9y h VAL 545 Cb 1.07 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2k9y h VAL 545 CO -0.20 0.50 0.03 0.58 0.02 0.00 0.00 177.57 178.50 2k9y h VAL 546 N 0.74 1.00 -0.31 2.57 2.07 -0.56 -1.32 116.25 120.43 2k9y h VAL 546 Ca 0.08 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2k9y h VAL 546 Cb 0.89 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2k9y h VAL 546 CO 0.08 0.01 0.15 -0.07 0.02 0.00 0.00 177.57 177.77 2k9y h LEU 547 N 0.08 0.22 -0.68 2.57 3.38 -1.44 -2.42 115.31 117.02 2k9y h LEU 547 Ca 0.03 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2k9y h LEU 547 Cb 0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 2k9y h LEU 547 CO -0.02 0.17 0.38 0.25 0.09 0.00 0.00 178.44 179.31 2k9y h LEU 548 N 0.32 0.58 -1.07 1.67 7.12 -1.27 -1.61 115.31 121.04 2k9y h LEU 548 Ca 0.13 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.24 2k9y h LEU 548 Cb 0.05 -0.09 -0.07 0.00 -0.53 0.00 0.00 40.66 40.02 2k9y h LEU 548 CO -0.09 0.37 0.63 0.25 -0.13 0.00 0.00 178.44 179.47 2k9y h LEU 549 N 0.71 0.97 0.70 2.25 6.46 -0.79 -2.39 115.31 123.23 2k9y h LEU 549 Ca 0.30 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.04 2k9y h LEU 549 Cb 0.17 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 39.92 2k9y h LEU 549 CO -0.18 0.61 -0.34 0.58 -0.62 0.00 0.00 178.44 178.50 2k9y h VAL 550 N 1.10 0.31 -0.90 1.05 2.07 -0.85 -2.02 116.25 117.01 2k9y h VAL 550 Ca 0.43 -0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.18 2k9y h VAL 550 Cb 0.23 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2k9y h VAL 550 CO -0.17 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 177.97 2k9y h LEU 551 N -0.94 0.22 0.00 2.57 -0.00 -1.19 0.24 115.31 116.20 2k9y h LEU 551 Ca -0.10 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2k9y h LEU 551 Cb 0.72 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 2k9y h LEU 551 CO 0.16 0.08 0.00 0.00 -0.00 0.00 0.00 178.44 178.68 2k9y n ALA 552 N -2.60 -0.14 -0.14 1.53 0.00 -0.92 -0.05 120.51 118.18 2k9y n ALA 552 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.60 2k9y n ALA 552 Cb 0.83 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.31 2k9y n ALA 552 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9y h GLY 553 N 0.00 0.37 1.18 0.00 0.00 -1.24 -1.19 103.07 102.20 2k9y h GLY 553 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 2k9y h GLY 553 CO 0.00 -0.16 0.11 -2.08 0.00 0.00 0.00 176.54 174.42 2k9y h VAL 554 N 0.04 1.25 0.00 4.60 2.07 -0.67 -1.85 116.25 121.69 2k9y h VAL 554 Ca 0.22 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2k9y h VAL 554 Cb 0.34 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2k9y h VAL 554 CO -0.43 0.36 -0.02 1.23 0.02 0.00 0.00 177.57 178.73 2k9y h GLY 555 N 1.04 0.00 0.81 2.17 0.00 0.67 -2.32 103.07 105.44 2k9y h GLY 555 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.22 2k9y h GLY 555 CO 0.01 0.00 -1.83 0.33 0.00 0.00 0.00 176.54 175.05 2k9y n PHE 556 N -3.23 0.87 1.95 5.60 -0.00 -0.60 -3.89 117.46 118.16 2k9y n PHE 556 Ca -0.02 0.30 0.11 0.00 -0.00 0.00 0.00 57.45 57.85 2k9y n PHE 556 Cb 0.17 -1.16 0.66 0.00 -0.00 0.00 0.00 39.48 39.15 2k9y n PHE 556 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 2k9y n PHE 557 N -3.04 0.00 0.84 -5.13 3.72 -0.75 -1.30 117.46 111.81 2k9y n PHE 557 Ca -0.20 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.30 2k9y n PHE 557 Cb 1.07 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.55 2k9y n PHE 557 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 2k9y n ILE 558 N -0.86 0.02 0.00 4.37 3.06 -1.05 -4.52 119.36 120.39 2k9y n ILE 558 Ca 0.17 -0.08 0.00 0.00 -2.50 0.00 0.00 62.75 60.34 2k9y n ILE 558 Cb 0.08 0.70 0.00 0.00 0.54 0.00 0.00 39.64 40.96 2k9y n ILE 558 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2k9y n HIS 559 N -1.63 0.00 -1.58 9.51 1.44 -1.13 -4.94 115.22 116.88 2k9y n HIS 559 Ca 0.03 0.00 -0.51 0.00 -2.01 0.00 0.00 57.72 55.23 2k9y n HIS 559 Cb 0.37 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.43 2k9y n HIS 559 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2k9y n ARG 560 N -1.91 1.15 -3.95 -1.40 -4.01 -0.42 -0.74 116.66 105.38 2k9y n ARG 560 Ca 0.00 0.41 -0.30 0.00 -1.04 0.00 0.00 57.85 56.93 2k9y n ARG 560 Cb 0.39 -2.00 0.01 0.00 -3.04 0.00 0.00 32.46 27.83 2k9y n ARG 560 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 2k9y n ARG 561 N 2.22 -4.70 -1.51 2.89 1.74 -1.26 -4.81 116.66 111.23 2k9y n ARG 561 Ca 0.17 0.53 -0.51 0.00 -0.77 0.00 0.00 57.85 57.27 2k9y n ARG 561 Cb 0.21 -5.25 -0.05 0.00 -1.02 0.00 0.00 32.46 26.35 2k9y n ARG 561 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2k9y n ARG 562 N -4.53 0.56 0.00 5.56 0.00 0.08 -5.17 116.66 113.16 2k9y n ARG 562 Ca -0.05 0.20 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 2k9y n ARG 562 Cb 0.56 -1.58 0.00 0.00 -0.00 0.00 0.00 32.46 31.44 2k9y n ARG 562 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99