#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 2.83 -0.01 4.31 5.36 -1.26 -5.11 117.98 124.10 2k9y s PHE 524 Ca 0.00 -1.12 0.01 0.00 -0.96 0.00 0.00 56.93 54.86 2k9y s PHE 524 Cb 0.00 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.73 2k9y s PHE 524 CO 0.00 -0.55 -0.04 -0.65 -1.46 0.00 0.00 175.22 172.52 2k9y s GLN 525 N 1.06 0.42 -0.20 10.12 -0.21 -1.26 -5.14 119.66 124.46 2k9y s GLN 525 Ca -0.01 -0.15 -0.06 0.00 0.02 0.00 0.00 55.36 55.17 2k9y s GLN 525 Cb -0.15 -0.43 0.10 0.00 1.00 0.00 0.00 33.01 33.53 2k9y s GLN 525 CO -0.03 0.07 0.38 0.95 -2.12 0.00 0.00 175.29 174.54 2k9y s THR 526 N 0.05 -0.60 0.53 -0.19 -4.23 -1.26 -5.16 115.64 104.78 2k9y s THR 526 Ca -0.00 0.13 0.09 0.00 -1.18 0.00 0.00 61.69 60.73 2k9y s THR 526 Cb -0.04 -0.66 0.06 0.00 1.34 0.00 0.00 72.50 73.20 2k9y s THR 526 CO -0.00 0.03 0.73 -0.76 -0.54 0.00 0.00 174.62 174.08 2k9y s LEU 527 N 2.56 3.27 0.44 4.79 1.43 -1.26 -5.10 118.68 124.81 2k9y s LEU 527 Ca 0.02 -0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 2k9y s LEU 527 Cb -0.13 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.04 2k9y s LEU 527 CO -0.13 -1.18 0.91 -0.44 0.23 0.00 0.00 176.35 175.75 2k9y s SER 528 N -4.57 6.75 0.20 2.29 0.01 -1.26 -5.02 113.70 112.09 2k9y s SER 528 Ca 0.60 1.52 -0.30 0.00 1.31 0.00 0.00 55.95 59.07 2k9y s SER 528 Cb -0.07 -2.48 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 2k9y s SER 528 CO 0.37 -0.43 1.31 -2.16 0.41 0.00 0.00 173.24 172.74 2k9y s PRO 529 N -3.56 4.39 -0.21 12.44 0.04 -1.26 -5.02 135.00 141.81 2k9y s PRO 529 Ca 0.58 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.63 2k9y s PRO 529 Cb -0.10 -3.20 0.09 0.00 0.04 0.00 0.00 34.50 31.33 2k9y s PRO 529 CO 0.23 -0.25 0.17 -1.83 0.04 0.00 0.00 177.00 175.36 2k9y s GLU 530 N -0.11 0.15 0.00 4.56 -1.05 -1.26 -5.09 118.70 115.90 2k9y s GLU 530 Ca 0.57 0.00 0.00 0.00 -0.15 0.00 0.00 54.97 55.39 2k9y s GLU 530 Cb -0.36 -1.39 0.00 0.00 -0.44 0.00 0.00 34.13 31.94 2k9y s GLU 530 CO 0.38 -0.72 0.00 0.41 0.95 0.00 0.00 175.26 176.28 2k9y n GLY 531 N 5.30 -1.83 2.47 -3.83 0.00 -1.26 -5.01 105.19 101.02 2k9y n GLY 531 Ca -0.06 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 2k9y n GLY 531 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k9y s SER 532 N -1.49 2.73 0.00 1.61 0.01 -1.26 -4.89 113.70 110.41 2k9y s SER 532 Ca 0.00 -2.42 0.00 0.00 1.31 0.00 0.00 55.95 54.84 2k9y s SER 532 Cb 0.00 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.76 2k9y s SER 532 CO 0.00 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2k9y n GLY 533 N 3.74 1.29 0.12 3.44 0.00 -1.26 -4.92 105.19 107.60 2k9y n GLY 533 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2k9y n GLY 533 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k9y h ASN 534 N 0.00 0.00 1.61 1.61 4.21 -2.03 -3.31 115.58 117.67 2k9y h ASN 534 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2k9y h ASN 534 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2k9y h ASN 534 CO 0.00 0.20 0.00 -0.07 -1.29 0.00 0.00 177.43 176.27 2k9y h LEU 535 N 0.00 0.00 -1.06 1.61 -0.00 -1.97 -3.16 115.31 110.72 2k9y h LEU 535 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.77 2k9y h LEU 535 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 2k9y h LEU 535 CO 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 178.44 178.41 2k9y h ALA 536 N 2.05 1.23 -0.17 1.53 0.00 -1.91 -2.35 119.26 119.64 2k9y h ALA 536 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2k9y h ALA 536 Cb 0.81 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2k9y h ALA 536 CO 0.00 0.51 0.28 0.28 0.00 0.00 0.00 179.25 180.32 2k9y h VAL 537 N 0.57 0.26 0.94 0.00 2.07 -1.75 -2.35 116.25 115.99 2k9y h VAL 537 Ca 0.11 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 2k9y h VAL 537 Cb 0.44 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2k9y h VAL 537 CO 0.02 0.00 -0.45 0.40 0.02 0.00 0.00 177.57 177.56 2k9y h ILE 538 N 0.00 0.07 -0.73 4.57 2.04 -1.62 -2.42 117.51 119.42 2k9y h ILE 538 Ca 0.08 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.94 2k9y h ILE 538 Cb 0.64 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2k9y h ILE 538 CO -0.00 0.00 0.48 1.23 0.00 0.00 0.00 178.15 179.86 2k9y h GLY 539 N -1.28 1.03 0.15 5.37 0.00 -1.60 0.17 103.07 106.92 2k9y h GLY 539 Ca -0.13 -0.38 0.08 0.00 0.00 0.00 0.00 47.33 46.91 2k9y h GLY 539 CO 0.21 0.37 -0.12 -1.33 0.00 0.00 0.00 176.54 175.67 2k9y h GLY 540 N 0.98 0.27 0.17 4.60 0.00 -1.46 0.34 103.07 107.98 2k9y h GLY 540 Ca 0.27 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 2k9y h GLY 540 CO -0.06 -0.16 -0.04 -2.08 0.00 0.00 0.00 176.54 174.19 2k9y h VAL 541 N -0.02 0.89 -0.01 4.60 2.07 -1.23 -2.43 116.25 120.11 2k9y h VAL 541 Ca 0.20 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.31 2k9y h VAL 541 Cb 0.32 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 2k9y h VAL 541 CO -0.43 0.27 -0.43 0.00 0.02 0.00 0.00 177.57 176.99 2k9y h ALA 542 N -0.41 -0.86 -0.28 1.67 0.00 -0.59 0.13 119.26 118.92 2k9y h ALA 542 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k9y h ALA 542 Cb 0.53 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 2k9y h ALA 542 CO 0.02 -0.99 -0.02 0.28 0.00 0.00 0.00 179.25 178.54 2k9y h VAL 543 N -0.53 0.77 -0.93 0.00 2.07 -0.48 -1.54 116.25 115.61 2k9y h VAL 543 Ca 0.01 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.70 2k9y h VAL 543 Cb 0.58 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 2k9y h VAL 543 CO -0.30 0.01 0.60 1.23 0.02 0.00 0.00 177.57 179.13 2k9y h GLY 544 N 0.06 1.12 1.22 2.17 0.00 -0.98 0.05 103.07 106.70 2k9y h GLY 544 Ca 0.14 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 2k9y h GLY 544 CO -0.25 -0.00 -0.29 -2.08 0.00 0.00 0.00 176.54 173.92 2k9y h VAL 545 N 0.53 1.27 -0.23 4.60 2.07 0.03 -2.72 116.25 121.80 2k9y h VAL 545 Ca 0.49 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2k9y h VAL 545 Cb 1.04 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2k9y h VAL 545 CO -0.22 0.49 0.14 0.58 0.02 0.00 0.00 177.57 178.58 2k9y h VAL 546 N 0.75 1.05 -0.38 2.57 2.07 -0.54 -1.55 116.25 120.21 2k9y h VAL 546 Ca 0.08 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k9y h VAL 546 Cb 0.85 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2k9y h VAL 546 CO 0.07 0.05 0.25 -0.07 0.02 0.00 0.00 177.57 177.90 2k9y h LEU 547 N 0.30 0.42 -1.09 2.57 3.38 -1.41 -2.16 115.31 117.32 2k9y h LEU 547 Ca 0.09 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2k9y h LEU 547 Cb -0.02 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2k9y h LEU 547 CO -0.03 0.30 0.62 0.25 0.09 0.00 0.00 178.44 179.67 2k9y h LEU 548 N 0.50 0.99 -0.75 1.67 7.12 -1.24 -1.86 115.31 121.74 2k9y h LEU 548 Ca 0.14 -0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.10 2k9y h LEU 548 Cb -0.04 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 39.84 2k9y h LEU 548 CO -0.04 0.66 0.29 0.25 -0.13 0.00 0.00 178.44 179.47 2k9y h LEU 549 N 1.14 1.05 0.70 2.25 6.46 -0.76 -2.50 115.31 123.65 2k9y h LEU 549 Ca 0.39 -0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 2k9y h LEU 549 Cb 0.09 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 2k9y h LEU 549 CO -0.13 0.95 -0.46 0.58 -0.62 0.00 0.00 178.44 178.75 2k9y h VAL 550 N 1.09 0.07 -0.97 1.05 2.07 -0.73 -2.45 116.25 116.39 2k9y h VAL 550 Ca 0.25 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.96 2k9y h VAL 550 Cb 0.23 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 29.99 2k9y h VAL 550 CO -0.02 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.11 2k9y h LEU 551 N -1.10 0.62 0.11 2.57 -0.00 -1.45 0.24 115.31 116.30 2k9y h LEU 551 Ca -0.09 0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2k9y h LEU 551 Cb 0.90 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 41.51 2k9y h LEU 551 CO 0.07 0.23 -0.11 0.00 -0.00 0.00 0.00 178.44 178.63 2k9y h ALA 552 N 1.62 -0.85 0.33 1.53 0.00 -0.99 0.13 119.26 121.03 2k9y h ALA 552 Ca 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2k9y h ALA 552 Cb 1.02 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2k9y h ALA 552 CO -0.28 -0.85 -0.16 0.78 0.00 0.00 0.00 179.25 178.74 2k9y h GLY 553 N -0.22 -0.46 1.06 0.00 0.00 -1.13 -2.63 103.07 99.69 2k9y h GLY 553 Ca -0.01 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.54 2k9y h GLY 553 CO -0.01 -0.17 0.42 -2.08 0.00 0.00 0.00 176.54 174.70 2k9y h VAL 554 N -0.67 0.16 0.02 4.60 2.07 -0.60 0.42 116.25 122.25 2k9y h VAL 554 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k9y h VAL 554 Cb 0.47 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2k9y h VAL 554 CO 0.07 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.88 2k9y h GLY 555 N 0.00 -0.03 0.99 2.17 0.00 -0.38 -3.16 103.07 102.66 2k9y h GLY 555 Ca 0.09 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2k9y h GLY 555 CO -0.00 -0.01 0.23 -2.75 0.00 0.00 0.00 176.54 174.01 2k9y h PHE 556 N -0.23 0.88 0.00 5.60 3.04 -1.23 0.75 116.94 125.75 2k9y h PHE 556 Ca -0.00 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.88 2k9y h PHE 556 Cb 0.02 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.27 2k9y h PHE 556 CO 0.02 0.71 0.07 0.35 -2.02 0.00 0.00 178.31 177.44 2k9y h PHE 557 N 0.80 0.00 0.00 0.41 3.57 -0.36 0.50 116.94 121.87 2k9y h PHE 557 Ca 0.19 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.33 2k9y h PHE 557 Cb 0.20 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 2k9y h PHE 557 CO 0.01 0.00 -2.37 -0.89 -2.23 0.00 0.00 178.31 172.83 2k9y n ILE 558 N -3.01 1.36 0.83 1.41 2.08 -0.71 -4.28 119.36 117.04 2k9y n ILE 558 Ca -0.03 -0.85 0.13 0.00 0.56 0.00 0.00 62.75 62.56 2k9y n ILE 558 Cb 0.14 -0.46 0.34 0.00 -0.75 0.00 0.00 39.64 38.91 2k9y n ILE 558 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2k9y n HIS 559 N -2.74 0.27 0.33 1.39 8.25 0.18 -3.56 115.22 119.34 2k9y n HIS 559 Ca -0.32 0.08 0.15 0.00 -0.26 0.00 0.00 57.72 57.37 2k9y n HIS 559 Cb 1.15 -0.51 0.55 0.00 1.12 0.00 0.00 29.99 32.29 2k9y n HIS 559 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2k9y h ARG 560 N 0.00 0.00 -0.56 -0.41 -0.00 -0.23 -3.14 114.38 110.03 2k9y h ARG 560 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 59.98 59.60 2k9y h ARG 560 Cb 0.60 0.00 -0.40 0.00 -0.00 0.00 0.00 29.97 30.17 2k9y h ARG 560 CO 0.00 0.00 -0.95 2.89 -0.00 0.00 0.00 179.97 181.91 2k9y n ARG 561 N -2.80 2.61 -0.23 0.08 0.00 -1.23 -4.86 116.66 110.24 2k9y n ARG 561 Ca 0.02 -3.79 0.27 0.00 -0.00 0.00 0.00 57.85 54.35 2k9y n ARG 561 Cb 0.32 -1.90 0.67 0.00 -0.00 0.00 0.00 32.46 31.55 2k9y n ARG 561 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 2k9y h ARG 562 N 2.30 0.11 -0.03 2.89 -0.00 -1.65 -3.51 114.38 114.49 2k9y h ARG 562 Ca 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 60.09 2k9y h ARG 562 Cb 1.41 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.36 2k9y h ARG 562 CO 0.46 0.07 0.00 1.63 -0.00 0.00 0.00 179.97 182.13