#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9y n PHE 524 N 0.00 0.00 -4.25 -0.32 1.16 -1.26 -5.14 117.46 107.65 2k9y n PHE 524 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.35 2k9y n PHE 524 Cb 0.00 0.06 -0.07 0.00 -1.61 0.00 0.00 39.48 37.86 2k9y n PHE 524 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2k9y s GLN 525 N 0.00 2.25 0.06 3.97 -1.52 -1.26 -5.15 119.66 118.00 2k9y s GLN 525 Ca 0.00 -1.55 0.03 0.00 -1.95 0.00 0.00 55.36 51.88 2k9y s GLN 525 Cb 0.00 -2.09 -0.03 0.00 -0.22 0.00 0.00 33.01 30.67 2k9y s GLN 525 CO 0.00 0.23 -0.09 0.95 -0.25 0.00 0.00 175.29 176.13 2k9y s THR 526 N -2.41 0.66 -0.56 -0.19 -4.23 -1.26 -5.06 115.64 102.59 2k9y s THR 526 Ca 0.34 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.63 2k9y s THR 526 Cb -0.04 -0.86 0.39 0.00 1.34 0.00 0.00 72.50 73.33 2k9y s THR 526 CO 0.20 -0.44 1.24 0.18 -0.54 0.00 0.00 174.62 175.27 2k9y n LEU 527 N 1.18 5.20 -4.78 4.79 4.77 -1.26 -5.09 117.00 121.81 2k9y n LEU 527 Ca -0.21 -5.29 -0.36 0.00 -0.03 0.00 0.00 56.01 50.12 2k9y n LEU 527 Cb 0.56 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2k9y n LEU 527 CO 0.22 2.19 0.76 -0.94 -1.33 0.00 0.00 177.39 178.30 2k9y s SER 528 N -3.06 6.56 -0.08 -1.43 1.04 -1.26 -5.02 113.70 110.46 2k9y s SER 528 Ca 0.48 2.11 -0.30 0.00 0.48 0.00 0.00 55.95 58.73 2k9y s SER 528 Cb 0.36 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 2k9y s SER 528 CO -0.21 -0.63 1.20 -2.16 0.98 0.00 0.00 173.24 172.42 2k9y s PRO 529 N -2.60 4.33 -0.15 4.02 0.04 -1.26 -5.03 135.00 134.36 2k9y s PRO 529 Ca 0.60 1.65 -0.19 0.00 0.04 0.00 0.00 61.00 63.10 2k9y s PRO 529 Cb -0.24 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 2k9y s PRO 529 CO 0.29 -0.48 0.53 -1.21 0.04 0.00 0.00 177.00 176.17 2k9y s GLU 530 N 2.42 4.28 -0.22 4.56 0.41 -1.26 -5.07 118.70 123.83 2k9y s GLU 530 Ca 0.55 0.50 -0.05 0.00 -0.41 0.00 0.00 54.97 55.57 2k9y s GLU 530 Cb -0.24 -3.50 0.11 0.00 -1.78 0.00 0.00 34.13 28.73 2k9y s GLU 530 CO 0.20 -0.01 0.38 0.20 -0.49 0.00 0.00 175.26 175.55 2k9y s GLY 531 N 0.89 -0.36 0.00 -1.39 0.00 -1.26 -4.99 107.32 100.22 2k9y s GLY 531 Ca 0.27 1.14 0.00 0.00 0.00 0.00 0.00 44.72 46.12 2k9y s GLY 531 CO 0.11 2.50 0.00 -1.14 0.00 0.00 0.00 173.10 174.57 2k9y n SER 532 N 5.37 0.00 -1.90 1.64 3.41 -1.26 -4.86 113.62 116.02 2k9y n SER 532 Ca -0.06 -0.82 -0.12 0.00 -0.26 0.00 0.00 58.87 57.62 2k9y n SER 532 Cb 0.50 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.00 4.84 0.15 5.00 0.00 -1.26 -4.87 105.19 109.05 2k9y n GLY 533 Ca 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 46.02 44.07 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 1.97 0.00 0.00 1.61 4.21 -2.00 -3.21 115.58 118.16 2k9y h ASN 534 Ca 0.16 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.47 2k9y h ASN 534 Cb 1.41 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.57 2k9y h ASN 534 CO 0.46 0.55 -1.84 0.18 -1.29 0.00 0.00 177.43 175.49 2k9y n LEU 535 N -3.66 0.00 0.33 1.61 7.99 -1.26 -4.58 117.00 117.43 2k9y n LEU 535 Ca -0.01 0.00 0.16 0.00 -0.01 0.00 0.00 56.01 56.15 2k9y n LEU 535 Cb 0.60 0.26 0.85 0.00 -0.11 0.00 0.00 43.42 45.02 2k9y n LEU 535 CO 0.40 0.26 1.12 0.00 -1.51 0.00 0.00 177.39 177.66 2k9y h ALA 536 N 0.74 1.28 -0.22 -1.18 0.00 -1.90 -2.23 119.26 115.74 2k9y h ALA 536 Ca -0.29 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.68 2k9y h ALA 536 Cb 1.60 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2k9y h ALA 536 CO 0.02 -0.28 0.21 -0.39 0.00 0.00 0.00 179.25 178.81 2k9y h VAL 537 N 0.00 0.57 0.00 0.00 -1.51 -1.80 -0.84 116.25 112.66 2k9y h VAL 537 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2k9y h VAL 537 Cb 0.57 0.84 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2k9y h VAL 537 CO 0.00 0.00 -0.16 0.40 -1.23 0.00 0.00 177.57 176.58 2k9y h ILE 538 N 0.00 1.05 -0.00 7.19 2.04 -1.75 -1.42 117.51 124.62 2k9y h ILE 538 Ca 0.10 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.39 2k9y h ILE 538 Cb 0.53 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2k9y h ILE 538 CO -0.00 0.16 -0.11 0.61 0.00 0.00 0.00 178.15 178.80 2k9y n GLY 539 N -1.01 -0.95 0.77 5.37 0.00 -0.32 -0.25 105.19 108.79 2k9y n GLY 539 Ca -0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 2k9y n GLY 539 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k9y n GLY 540 N 1.29 -0.12 0.15 -0.02 0.00 -1.10 -4.50 105.19 100.89 2k9y n GLY 540 Ca 0.14 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 2k9y n GLY 540 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k9y h VAL 541 N -0.27 0.68 0.11 1.61 2.07 -1.28 0.30 116.25 119.47 2k9y h VAL 541 Ca -0.19 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.01 2k9y h VAL 541 Cb 1.15 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2k9y h VAL 541 CO -0.11 0.00 -1.69 0.00 0.02 0.00 0.00 177.57 175.79 2k9y h ALA 542 N 1.08 0.36 0.00 1.67 0.00 -0.87 -0.50 119.26 121.00 2k9y h ALA 542 Ca 0.11 -1.23 -0.04 0.00 0.00 0.00 0.00 54.91 53.75 2k9y h ALA 542 Cb 0.25 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k9y h ALA 542 CO -0.25 1.23 -0.17 0.28 0.00 0.00 0.00 179.25 180.33 2k9y h VAL 543 N 0.07 0.74 0.21 0.00 2.07 -1.67 -1.96 116.25 115.70 2k9y h VAL 543 Ca -0.30 -0.71 -0.34 0.00 0.82 0.00 0.00 66.70 66.16 2k9y h VAL 543 Cb 2.03 1.43 0.02 0.00 -1.52 0.00 0.00 31.29 33.26 2k9y h VAL 543 CO 0.14 0.17 -1.63 1.23 0.02 0.00 0.00 177.57 177.49 2k9y h GLY 544 N 0.97 0.52 1.83 2.17 0.00 -0.79 -2.23 103.07 105.54 2k9y h GLY 544 Ca -0.00 -1.32 0.01 0.00 0.00 0.00 0.00 47.33 46.02 2k9y h GLY 544 CO 0.02 1.16 0.09 -2.08 0.00 0.00 0.00 176.54 175.73 2k9y h VAL 545 N 0.11 1.00 -0.28 4.60 2.07 -1.06 -1.40 116.25 121.29 2k9y h VAL 545 Ca -0.31 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2k9y h VAL 545 Cb 2.12 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 2k9y h VAL 545 CO 0.21 0.02 0.04 0.58 0.02 0.00 0.00 177.57 178.45 2k9y h VAL 546 N 0.13 1.23 -0.02 2.57 2.07 -1.26 0.77 116.25 121.73 2k9y h VAL 546 Ca 0.05 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.80 2k9y h VAL 546 Cb 0.06 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2k9y h VAL 546 CO -0.01 0.26 -0.11 0.25 0.02 0.00 0.00 177.57 177.98 2k9y h LEU 547 N 0.28 -0.32 -0.24 2.57 7.12 -0.71 0.11 115.31 124.13 2k9y h LEU 547 Ca 0.09 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.15 2k9y h LEU 547 Cb 0.34 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 2k9y h LEU 547 CO 0.01 -0.15 0.14 -0.07 -0.13 0.00 0.00 178.44 178.24 2k9y h LEU 548 N -0.17 0.28 -1.04 2.25 3.38 -1.30 -2.29 115.31 116.42 2k9y h LEU 548 Ca 0.05 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2k9y h LEU 548 Cb 0.24 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2k9y h LEU 548 CO -0.13 0.24 0.64 0.25 0.09 0.00 0.00 178.44 179.54 2k9y h LEU 549 N 0.30 1.04 -0.39 1.67 5.85 -0.49 0.27 115.31 123.55 2k9y h LEU 549 Ca 0.08 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 2k9y h LEU 549 Cb 0.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2k9y h LEU 549 CO -0.02 0.69 -0.75 0.58 -0.34 0.00 0.00 178.44 178.61 2k9y h VAL 550 N 1.20 1.39 0.00 1.05 2.07 -0.68 0.57 116.25 121.84 2k9y h VAL 550 Ca 0.41 -2.18 -0.15 0.00 0.82 0.00 0.00 66.70 65.59 2k9y h VAL 550 Cb 0.09 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2k9y h VAL 550 CO -0.14 0.65 -0.71 -0.07 0.02 0.00 0.00 177.57 177.32 2k9y h LEU 551 N 0.25 0.00 -1.06 2.57 3.38 -1.11 -0.99 115.31 118.34 2k9y h LEU 551 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2k9y h LEU 551 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 2k9y h LEU 551 CO 0.13 0.71 -0.23 0.00 0.09 0.00 0.00 178.44 179.13 2k9y h ALA 552 N 1.29 1.21 0.00 1.53 0.00 -0.21 -1.41 119.26 121.67 2k9y h ALA 552 Ca -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2k9y h ALA 552 Cb 1.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2k9y h ALA 552 CO 0.09 0.51 -0.03 0.78 0.00 0.00 0.00 179.25 180.60 2k9y h GLY 553 N 0.99 0.02 1.06 0.00 0.00 0.33 0.13 103.07 105.60 2k9y h GLY 553 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 2k9y h GLY 553 CO 0.04 0.03 0.36 -2.08 0.00 0.00 0.00 176.54 174.90 2k9y h VAL 554 N -0.80 1.26 0.01 4.60 2.07 -1.28 -0.16 116.25 121.96 2k9y h VAL 554 Ca -0.00 -0.78 -0.21 0.00 0.82 0.00 0.00 66.70 66.53 2k9y h VAL 554 Cb 0.86 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2k9y h VAL 554 CO 0.01 0.33 -0.92 1.23 0.02 0.00 0.00 177.57 178.24 2k9y h GLY 555 N 1.19 0.22 0.72 2.17 0.00 -1.10 0.29 103.07 106.57 2k9y h GLY 555 Ca 0.28 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 2k9y h GLY 555 CO -0.03 0.37 -0.27 -2.75 0.00 0.00 0.00 176.54 173.86 2k9y h PHE 556 N 0.11 0.47 -0.28 5.60 3.57 -0.62 -3.19 116.94 122.59 2k9y h PHE 556 Ca -0.05 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.26 2k9y h PHE 556 Cb 1.56 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.21 2k9y h PHE 556 CO 0.03 0.89 0.16 0.35 -2.23 0.00 0.00 178.31 177.51 2k9y h PHE 557 N -0.08 0.38 -1.00 0.41 3.57 -0.57 -2.19 116.94 117.46 2k9y h PHE 557 Ca -0.01 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 2k9y h PHE 557 Cb 0.88 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 2k9y h PHE 557 CO 0.11 0.31 0.63 0.82 -2.23 0.00 0.00 178.31 177.95 2k9y h ILE 558 N 0.35 0.92 -0.20 1.41 2.04 -0.57 -3.15 117.51 118.31 2k9y h ILE 558 Ca 0.10 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2k9y h ILE 558 Cb 0.04 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 35.97 2k9y h ILE 558 CO -0.02 0.18 0.12 -0.74 0.00 0.00 0.00 178.15 177.69 2k9y h HIS 559 N 0.98 0.26 0.00 1.37 2.76 -1.39 -2.84 115.15 116.29 2k9y h HIS 559 Ca 0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 2k9y h HIS 559 Cb 0.49 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.36 2k9y h HIS 559 CO -0.00 0.19 0.00 0.54 -1.30 0.00 0.00 177.93 177.36 2k9y n ARG 560 N -4.93 0.54 0.00 5.26 5.12 -0.96 -1.06 116.66 120.63 2k9y n ARG 560 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2k9y n ARG 560 Cb 0.04 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 2k9y n ARG 560 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2k9y n ARG 561 N 0.48 0.00 -0.01 5.56 1.74 -1.07 -4.85 116.66 118.50 2k9y n ARG 561 Ca 0.00 -0.35 0.13 0.00 -0.77 0.00 0.00 57.85 56.86 2k9y n ARG 561 Cb 0.20 -0.43 0.65 0.00 -1.02 0.00 0.00 32.46 31.86 2k9y n ARG 561 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k9y n ARG 562 N 0.00 1.35 0.00 5.56 1.74 -0.23 -5.08 116.66 120.00 2k9y n ARG 562 Ca 0.00 -0.51 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 2k9y n ARG 562 Cb 0.46 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 2k9y n ARG 562 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47