#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qoh s ASP 503 N 0.00 6.73 0.10 0.00 1.11 -1.26 -1.56 116.67 121.78 1qoh s ASP 503 Ca 0.00 -2.17 -0.21 0.00 0.18 0.00 0.00 52.55 50.35 1qoh s ASP 503 Cb 0.00 -2.46 -0.10 0.00 1.07 0.00 0.00 42.92 41.43 1qoh s ASP 503 CO 0.00 -1.11 1.74 0.00 1.18 0.00 0.00 175.17 176.98 1qoh s ALA 505 N -6.07 -0.28 -0.19 0.00 0.00 -1.21 -5.00 121.76 109.01 1qoh s ALA 505 Ca -0.13 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 1qoh s ALA 505 Cb 0.07 0.47 0.08 0.00 0.00 0.00 0.00 23.12 23.74 1qoh s ALA 505 CO 0.68 -0.50 0.41 0.21 0.00 0.00 0.00 175.76 176.56 1qoh s LYS 506 N -3.70 0.33 0.00 0.00 2.20 -1.26 -1.91 119.74 115.40 1qoh s LYS 506 Ca 0.04 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 1qoh s LYS 506 Cb 0.04 0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 1qoh s LYS 506 CO -0.10 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1qoh n GLY 507 N 5.14 -1.07 3.88 5.54 0.00 -0.82 -4.73 105.19 113.13 1qoh n GLY 507 Ca -0.12 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1qoh n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qoh s LYS 508 N -1.46 3.62 -0.33 1.61 -0.14 -1.26 -0.94 119.74 120.83 1qoh s LYS 508 Ca 0.00 0.64 -0.25 0.00 -1.36 0.00 0.00 55.97 55.01 1qoh s LYS 508 Cb 0.00 -2.15 0.01 0.00 -1.68 0.00 0.00 37.83 34.01 1qoh s LYS 508 CO 0.00 -0.46 0.87 0.42 -0.76 0.00 0.00 175.35 175.42 1qoh s ILE 509 N -3.03 4.69 0.08 2.17 1.01 -1.26 -4.48 121.20 120.38 1qoh s ILE 509 Ca 0.54 1.24 -0.18 0.00 0.00 0.00 0.00 60.65 62.24 1qoh s ILE 509 Cb -0.11 -4.25 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 1qoh s ILE 509 CO 0.50 -0.38 1.49 -0.08 0.00 0.00 0.00 174.94 176.46 1qoh h GLU 510 N 8.25 0.48 -2.86 2.79 4.81 -1.17 -3.47 114.58 123.40 1qoh h GLU 510 Ca -0.23 -0.18 0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1qoh h GLU 510 Cb 1.09 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 30.36 1qoh h GLU 510 CO 0.94 0.69 0.28 -0.59 -0.73 0.00 0.00 179.01 179.60 1qoh s PHE 511 N -4.81 -0.27 0.11 0.92 -0.12 -1.26 -5.00 117.98 107.55 1qoh s PHE 511 Ca -0.14 -0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.65 1qoh s PHE 511 Cb 0.07 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 43.08 1qoh s PHE 511 CO 0.76 -1.05 -0.00 -1.54 -0.05 0.00 0.00 175.22 173.33 1qoh s SER 512 N -2.86 0.70 -0.17 1.98 1.04 -1.26 -1.80 113.70 111.32 1qoh s SER 512 Ca 0.09 -1.10 -0.11 0.00 0.48 0.00 0.00 55.95 55.31 1qoh s SER 512 Cb -0.04 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.33 1qoh s SER 512 CO 0.01 -0.61 0.42 -0.75 0.98 0.00 0.00 173.24 173.29 1qoh s LYS 513 N -3.94 0.42 -0.17 4.02 2.20 0.73 -4.98 119.74 118.02 1qoh s LYS 513 Ca 0.17 0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 56.37 1qoh s LYS 513 Cb 0.07 0.04 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1qoh s LYS 513 CO -0.03 -0.13 0.36 -0.47 -0.36 0.00 0.00 175.35 174.72 1qoh s TYR 514 N 1.11 3.43 0.24 4.03 6.14 -1.26 -0.78 117.35 130.26 1qoh s TYR 514 Ca -0.07 0.64 0.02 0.00 0.64 0.00 0.00 57.07 58.29 1qoh s TYR 514 Cb -0.07 -2.44 -0.04 0.00 0.42 0.00 0.00 41.96 39.84 1qoh s TYR 514 CO -0.10 0.14 0.40 -0.80 0.64 0.00 0.00 175.55 175.83 1qoh s ASN 515 N 0.71 6.34 0.52 4.32 0.01 0.26 -5.00 114.94 122.11 1qoh s ASN 515 Ca 0.19 0.29 0.16 0.00 -0.71 0.00 0.00 52.86 52.79 1qoh s ASN 515 Cb -0.14 -1.96 1.26 0.00 0.41 0.00 0.00 41.25 40.82 1qoh s ASN 515 CO 0.06 -0.10 2.14 -0.08 -1.51 0.00 0.00 177.10 177.62 1qoh h GLU 516 N 1.50 0.02 -0.06 -0.60 4.81 -1.97 0.11 114.58 118.40 1qoh h GLU 516 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1qoh h GLU 516 Cb 1.21 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1qoh h GLU 516 CO 0.65 0.01 0.00 -0.40 -0.73 0.00 0.00 179.01 178.54 1qoh n ASP 517 N -4.53 0.37 -0.14 1.04 5.68 -1.26 -4.87 116.55 112.84 1qoh n ASP 517 Ca -0.02 -1.80 -0.02 0.00 -0.50 0.00 0.00 54.79 52.45 1qoh n ASP 517 Cb 0.12 -0.04 -0.01 0.00 -1.14 0.00 0.00 41.12 40.05 1qoh n ASP 517 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1qoh n ASN 518 N -0.39 -3.50 -4.94 -1.12 3.02 0.40 -5.04 115.26 103.69 1qoh n ASN 518 Ca 0.07 0.04 -0.24 0.00 -0.03 0.00 0.00 54.58 54.42 1qoh n ASN 518 Cb 0.08 -1.15 -0.01 0.00 -0.61 0.00 0.00 39.78 38.09 1qoh n ASN 518 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1qoh s THR 519 N -1.97 5.00 -0.07 3.41 -4.23 -1.25 -4.86 115.64 111.66 1qoh s THR 519 Ca 0.00 -0.41 0.05 0.00 -1.18 0.00 0.00 61.69 60.15 1qoh s THR 519 Cb 0.00 -3.83 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 1qoh s THR 519 CO 0.00 -0.57 -0.25 0.12 -0.54 0.00 0.00 174.62 173.39 1qoh s PHE 520 N -2.37 2.47 -0.05 3.99 5.36 -0.46 -0.57 117.98 126.35 1qoh s PHE 520 Ca 0.41 -0.83 0.04 0.00 -0.96 0.00 0.00 56.93 55.59 1qoh s PHE 520 Cb -0.10 -1.63 -0.02 0.00 -0.34 0.00 0.00 43.02 40.93 1qoh s PHE 520 CO 0.37 -0.29 -0.16 0.99 -1.46 0.00 0.00 175.22 174.67 1qoh s THR 521 N 0.01 2.92 0.05 0.12 2.01 0.04 -1.01 115.64 119.78 1qoh s THR 521 Ca -0.09 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.18 1qoh s THR 521 Cb -0.15 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1qoh s THR 521 CO 0.06 0.59 -0.12 0.68 -0.69 0.00 0.00 174.62 175.13 1qoh s VAL 522 N -0.66 0.94 -0.26 3.82 -7.23 -0.16 -0.20 120.40 116.66 1qoh s VAL 522 Ca 0.10 -1.07 -0.03 0.00 -1.81 0.00 0.00 61.98 59.17 1qoh s VAL 522 Cb -0.11 -0.90 0.02 0.00 0.56 0.00 0.00 36.38 35.95 1qoh s VAL 522 CO 0.01 -0.15 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.86 1qoh s LYS 523 N -1.38 2.92 -0.09 4.82 2.20 -0.75 -1.25 119.74 126.22 1qoh s LYS 523 Ca -0.02 -0.93 0.01 0.00 -0.36 0.00 0.00 55.97 54.67 1qoh s LYS 523 Cb -0.09 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.18 1qoh s LYS 523 CO 0.01 -0.40 -0.10 0.08 -0.36 0.00 0.00 175.35 174.58 1qoh s VAL 524 N 1.37 1.10 -1.30 4.02 1.01 -0.26 -0.49 120.40 125.84 1qoh s VAL 524 Ca 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1qoh s VAL 524 Cb -0.17 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1qoh s VAL 524 CO -0.03 0.36 0.97 -1.20 0.00 0.00 0.00 175.10 175.20 1qoh n SER 525 N 4.33 -3.15 0.00 3.32 7.64 -1.26 -1.99 113.62 122.51 1qoh n SER 525 Ca -0.18 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1qoh n SER 525 Cb 0.51 -4.68 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 1qoh n SER 525 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qoh n GLY 526 N -1.51 1.43 3.56 0.23 0.00 -1.26 -4.98 105.19 102.65 1qoh n GLY 526 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1qoh n GLY 526 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qoh s ARG 527 N -0.14 2.28 -0.10 1.61 0.52 -0.84 -5.06 118.95 117.22 1qoh s ARG 527 Ca 0.00 -0.90 -0.06 0.00 -0.52 0.00 0.00 55.73 54.25 1qoh s ARG 527 Cb 0.00 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 1qoh s ARG 527 CO 0.00 0.55 0.12 -1.21 0.02 0.00 0.00 175.30 174.78 1qoh s GLU 528 N -1.77 3.36 0.02 3.54 2.02 -1.26 -1.10 118.70 123.50 1qoh s GLU 528 Ca 0.19 -0.20 -0.00 0.00 0.02 0.00 0.00 54.97 54.97 1qoh s GLU 528 Cb -0.11 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 1qoh s GLU 528 CO 0.10 0.76 -0.02 0.71 0.02 0.00 0.00 175.26 176.83 1qoh s TYR 529 N -1.04 0.21 0.28 1.61 2.02 -0.38 -0.13 117.35 119.92 1qoh s TYR 529 Ca 0.16 -0.43 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 1qoh s TYR 529 Cb -0.12 -0.15 -0.06 0.00 -0.40 0.00 0.00 41.96 41.23 1qoh s TYR 529 CO 0.05 -0.17 -0.00 1.67 -1.57 0.00 0.00 175.55 175.53 1qoh s TRP 530 N -1.24 1.85 0.01 2.71 1.48 -0.97 -0.98 118.94 121.79 1qoh s TRP 530 Ca -0.14 -0.85 -0.18 0.00 -1.06 0.00 0.00 56.10 53.87 1qoh s TRP 530 Cb -0.08 -1.12 0.03 0.00 -1.16 0.00 0.00 33.47 31.14 1qoh s TRP 530 CO -0.01 0.10 0.40 -0.08 -4.06 0.00 0.00 176.95 173.30 1qoh s THR 531 N -3.22 0.05 -0.52 0.66 -1.32 -0.18 -1.37 115.64 109.74 1qoh s THR 531 Ca 0.32 -0.41 0.06 0.00 -1.21 0.00 0.00 61.69 60.44 1qoh s THR 531 Cb 0.06 -0.82 0.16 0.00 -1.51 0.00 0.00 72.50 70.39 1qoh s THR 531 CO 0.12 -0.23 1.11 -0.46 -2.21 0.00 0.00 174.62 172.96 1qoh n ASN 532 N 0.89 2.44 -4.55 8.08 0.23 -1.26 -1.36 115.26 119.74 1qoh n ASN 532 Ca -0.20 -1.96 -0.41 0.00 -0.53 0.00 0.00 54.58 51.48 1qoh n ASN 532 Cb 0.58 -0.12 -0.03 0.00 -2.08 0.00 0.00 39.78 38.13 1qoh n ASN 532 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1qoh s ARG 533 N -0.97 3.24 0.16 -3.83 1.81 -1.26 -4.93 118.95 113.17 1qoh s ARG 533 Ca 0.12 -0.20 -0.13 0.00 -1.72 0.00 0.00 55.73 53.80 1qoh s ARG 533 Cb 0.06 -4.15 0.14 0.00 -0.45 0.00 0.00 34.95 30.56 1qoh s ARG 533 CO 0.08 -2.04 1.08 1.87 -0.68 0.00 0.00 175.30 175.62 1qoh n TRP 534 N 9.09 -0.02 0.07 -0.53 -0.00 -1.26 -1.67 117.44 123.13 1qoh n TRP 534 Ca 0.03 0.86 0.05 0.00 -0.00 0.00 0.00 57.50 58.44 1qoh n TRP 534 Cb 0.49 -0.74 0.47 0.00 -0.00 0.00 0.00 31.31 31.53 1qoh n TRP 534 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1qoh h ASN 535 N 0.00 0.34 0.05 5.87 4.21 -2.03 -3.06 115.58 120.96 1qoh h ASN 535 Ca 0.23 -0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.66 1qoh h ASN 535 Cb 0.40 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1qoh h ASN 535 CO -0.69 0.27 -0.18 -0.07 -1.29 0.00 0.00 177.43 175.47 1qoh h LEU 536 N 0.39 0.25 -0.61 1.61 3.38 -1.74 -3.33 115.31 115.26 1qoh h LEU 536 Ca 0.10 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1qoh h LEU 536 Cb -0.00 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.59 1qoh h LEU 536 CO -0.02 0.45 -0.55 1.56 0.09 0.00 0.00 178.44 179.96 1qoh h GLN 537 N 0.24 -0.23 -0.41 1.13 4.20 -1.66 0.40 115.11 118.77 1qoh h GLN 537 Ca 0.04 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 1qoh h GLN 537 Cb 0.46 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1qoh h GLN 537 CO 0.03 -0.15 -0.10 -1.00 -0.67 0.00 0.00 178.83 176.93 1qoh h PRO 538 N -0.24 0.73 -0.72 1.46 0.13 -1.81 -0.06 132.00 131.49 1qoh h PRO 538 Ca 0.10 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1qoh h PRO 538 Cb 0.51 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 1qoh h PRO 538 CO -0.70 0.81 0.42 -0.07 -0.23 0.00 0.00 178.00 178.22 1qoh h LEU 539 N 0.67 0.89 -0.41 1.56 3.38 -1.47 0.60 115.31 120.53 1qoh h LEU 539 Ca 0.12 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1qoh h LEU 539 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1qoh h LEU 539 CO 0.03 0.71 -0.21 -0.07 0.09 0.00 0.00 178.44 179.00 1qoh h LEU 540 N 0.99 0.89 -0.76 1.67 3.38 -0.09 -1.92 115.31 119.48 1qoh h LEU 540 Ca 0.26 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1qoh h LEU 540 Cb 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1qoh h LEU 540 CO -0.04 1.10 0.17 -0.61 0.09 0.00 0.00 178.44 179.15 1qoh h GLN 541 N 0.68 1.11 -0.75 1.13 4.15 -0.53 0.15 115.11 121.05 1qoh h GLN 541 Ca 0.09 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 1qoh h GLN 541 Cb 0.77 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 1qoh h GLN 541 CO 0.06 0.98 0.39 0.77 -1.93 0.00 0.00 178.83 179.10 1qoh h SER 542 N 1.05 0.96 -0.75 -0.69 0.02 -0.85 0.38 113.55 113.66 1qoh h SER 542 Ca 0.22 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1qoh h SER 542 Cb 0.37 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 1qoh h SER 542 CO 0.00 0.80 0.47 0.00 -1.14 0.00 0.00 176.83 176.97 1qoh h ALA 543 N 1.20 0.99 -0.09 3.77 0.00 -0.64 0.23 119.26 124.72 1qoh h ALA 543 Ca 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1qoh h ALA 543 Cb 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1qoh h ALA 543 CO -0.04 0.26 -0.08 0.37 0.00 0.00 0.00 179.25 179.76 1qoh h GLN 544 N 0.92 0.22 -0.78 0.00 4.15 -0.10 0.21 115.11 119.72 1qoh h GLN 544 Ca 0.31 -0.11 0.04 0.00 0.77 0.00 0.00 58.65 59.66 1qoh h GLN 544 Cb 0.04 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 1qoh h GLN 544 CO -0.12 0.62 0.51 -0.07 -1.93 0.00 0.00 178.83 177.85 1qoh h LEU 545 N -0.19 0.81 -1.57 -2.39 3.38 0.09 -2.74 115.31 112.70 1qoh h LEU 545 Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1qoh h LEU 545 Cb 0.58 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1qoh h LEU 545 CO 0.02 0.55 -0.05 0.35 0.09 0.00 0.00 178.44 179.40 1qoh n THR 546 N -4.46 0.00 -2.41 0.22 -2.24 0.77 -5.02 114.28 101.14 1qoh n THR 546 Ca 0.10 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 1qoh n THR 546 Cb 0.14 1.34 0.01 0.00 -2.10 0.00 0.00 70.33 69.72 1qoh n THR 546 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qoh n GLY 547 N 1.01 0.13 3.78 3.38 0.00 0.51 -5.03 105.19 108.97 1qoh n GLY 547 Ca 0.10 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1qoh n GLY 547 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qoh s MET 548 N -4.78 2.21 -0.18 1.61 -1.94 0.09 -4.95 119.30 111.37 1qoh s MET 548 Ca 0.08 0.91 -0.22 0.00 -1.71 0.00 0.00 55.69 54.74 1qoh s MET 548 Cb -0.03 -1.91 -0.02 0.00 2.01 0.00 0.00 34.83 34.87 1qoh s MET 548 CO 0.09 -1.60 0.68 0.99 -0.01 0.00 0.00 175.02 175.18 1qoh s THR 549 N -3.01 4.99 0.20 2.05 2.01 -1.26 -4.44 115.64 116.17 1qoh s THR 549 Ca 0.61 1.32 0.08 0.00 0.31 0.00 0.00 61.69 64.00 1qoh s THR 549 Cb -0.16 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1qoh s THR 549 CO 0.55 0.10 0.03 0.68 -0.69 0.00 0.00 174.62 175.29 1qoh s VAL 550 N 1.88 3.78 -0.24 3.82 -7.23 -0.11 -0.22 120.40 122.08 1qoh s VAL 550 Ca 0.32 -1.51 -0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1qoh s VAL 550 Cb -0.16 -2.95 0.07 0.00 0.56 0.00 0.00 36.38 33.90 1qoh s VAL 550 CO 0.11 -0.20 -0.00 -0.89 -0.31 0.00 0.00 175.10 173.81 1qoh s THR 551 N -1.91 1.19 -0.11 5.32 2.01 -0.44 -1.94 115.64 119.75 1qoh s THR 551 Ca 0.29 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1qoh s THR 551 Cb -0.09 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1qoh s THR 551 CO 0.20 -0.23 1.15 -0.63 -0.69 0.00 0.00 174.62 174.42 1qoh s ILE 552 N 1.54 4.43 -0.14 1.82 -1.09 -0.80 -1.57 121.20 125.39 1qoh s ILE 552 Ca -0.02 1.73 0.00 0.00 -2.23 0.00 0.00 60.65 60.14 1qoh s ILE 552 Cb -0.18 -4.11 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1qoh s ILE 552 CO -0.09 -0.05 -0.15 -0.63 -1.23 0.00 0.00 174.94 172.79 1qoh s ILE 553 N 2.56 2.78 0.20 2.92 1.01 -0.73 -1.18 121.20 128.76 1qoh s ILE 553 Ca 0.52 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 60.21 1qoh s ILE 553 Cb -0.21 -2.16 0.07 0.00 0.01 0.00 0.00 42.46 40.16 1qoh s ILE 553 CO 0.18 0.52 0.97 -0.55 0.00 0.00 0.00 174.94 176.06 1qoh s SER 554 N 0.57 -0.07 -0.01 3.58 0.15 -0.60 -3.87 113.70 113.45 1qoh s SER 554 Ca -0.09 -0.64 0.01 0.00 0.70 0.00 0.00 55.95 55.93 1qoh s SER 554 Cb -0.16 0.55 -0.26 0.00 -1.71 0.00 0.00 66.02 64.44 1qoh s SER 554 CO 0.04 -1.06 0.80 0.78 1.20 0.00 0.00 173.24 175.00 1qoh h ASN 555 N 2.00 0.28 -3.51 5.45 -0.26 -1.88 -0.48 115.58 117.18 1qoh h ASN 555 Ca -0.27 -0.43 -0.66 0.00 -0.56 0.00 0.00 56.30 54.38 1qoh h ASN 555 Cb 1.23 -0.09 -0.27 0.00 -1.06 0.00 0.00 38.32 38.12 1qoh h ASN 555 CO 0.32 1.36 -0.68 0.42 -1.06 0.00 0.00 177.43 177.79 1qoh s THR 556 N -2.62 3.60 -2.04 2.81 -4.23 -1.26 -4.88 115.64 107.03 1qoh s THR 556 Ca -0.09 -0.60 0.22 0.00 -1.18 0.00 0.00 61.69 60.04 1qoh s THR 556 Cb 0.07 -2.74 0.53 0.00 1.34 0.00 0.00 72.50 71.70 1qoh s THR 556 CO 0.84 0.27 1.45 0.00 -0.54 0.00 0.00 174.62 176.63 1qoh s SER 558 N -1.17 7.13 0.27 0.00 1.04 -1.26 -4.94 113.70 114.77 1qoh s SER 558 Ca 0.42 2.19 -0.28 0.00 0.48 0.00 0.00 55.95 58.77 1qoh s SER 558 Cb 0.23 -2.61 -0.14 0.00 0.10 0.00 0.00 66.02 63.59 1qoh s SER 558 CO 0.31 -0.23 0.95 -0.24 0.98 0.00 0.00 173.24 175.00 1qoh n SER 559 N 0.84 0.95 0.00 7.02 2.88 -1.26 -1.54 113.62 122.50 1qoh n SER 559 Ca 0.01 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1qoh n SER 559 Cb 0.46 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 1qoh n SER 559 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qoh n GLY 560 N 1.35 0.73 3.85 0.46 0.00 0.81 -4.91 105.19 107.48 1qoh n GLY 560 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1qoh n GLY 560 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qoh s SER 561 N -2.88 6.59 0.50 1.61 0.01 -0.59 -4.79 113.70 114.15 1qoh s SER 561 Ca 0.00 1.47 -0.06 0.00 1.31 0.00 0.00 55.95 58.67 1qoh s SER 561 Cb 0.00 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 1qoh s SER 561 CO 0.00 -0.55 0.82 -0.83 0.41 0.00 0.00 173.24 173.09 1qoh s GLY 562 N -3.12 1.52 0.04 3.44 0.00 -1.26 -2.28 107.32 105.66 1qoh s GLY 562 Ca 0.57 -0.46 -0.22 0.00 0.00 0.00 0.00 44.72 44.61 1qoh s GLY 562 CO 0.32 -0.28 0.51 -0.11 0.00 0.00 0.00 173.10 173.54 1qoh s PHE 563 N -2.80 -0.41 0.00 1.90 -0.71 -0.47 -4.82 117.98 110.66 1qoh s PHE 563 Ca 0.49 0.47 0.00 0.00 -1.04 0.00 0.00 56.93 56.84 1qoh s PHE 563 Cb -0.10 0.33 0.00 0.00 -1.21 0.00 0.00 43.02 42.04 1qoh s PHE 563 CO 0.46 -0.63 0.83 0.00 -1.34 0.00 0.00 175.22 174.54 1qoh n ALA 564 N 0.44 1.96 -3.42 1.99 0.00 -1.26 -4.36 120.51 115.87 1qoh n ALA 564 Ca -0.18 -0.69 -0.13 0.00 0.00 0.00 0.00 53.44 52.44 1qoh n ALA 564 Cb 0.60 -0.34 -0.14 0.00 0.00 0.00 0.00 19.45 19.57 1qoh n ALA 564 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qoh s GLU 565 N 0.00 0.07 -0.14 0.00 2.12 -1.25 -5.08 118.70 114.41 1qoh s GLU 565 Ca 0.00 0.23 -0.17 0.00 0.36 0.00 0.00 54.97 55.39 1qoh s GLU 565 Cb 0.00 -0.10 0.04 0.00 0.26 0.00 0.00 34.13 34.34 1qoh s GLU 565 CO 0.00 -0.10 0.47 0.54 -0.54 0.00 0.00 175.26 175.62 1qoh s VAL 566 N 0.69 0.01 -0.20 3.70 0.11 -1.26 -1.78 120.40 121.66 1qoh s VAL 566 Ca -0.05 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 58.89 1qoh s VAL 566 Cb -0.07 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 1qoh s VAL 566 CO -0.03 -0.04 -0.03 -1.58 -3.33 0.00 0.00 175.10 170.09 1qoh s GLN 567 N -0.09 3.49 -0.25 1.54 0.74 -0.61 -4.93 119.66 119.55 1qoh s GLN 567 Ca -0.03 -0.58 -0.13 0.00 0.05 0.00 0.00 55.36 54.67 1qoh s GLN 567 Cb -0.03 -3.00 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 1qoh s GLN 567 CO 0.02 -0.05 0.30 -0.06 -0.55 0.00 0.00 175.29 174.95 1qoh s PHE 568 N 1.12 3.28 -1.04 1.67 0.40 -1.26 -1.33 117.98 120.82 1qoh s PHE 568 Ca 0.02 0.36 0.08 0.00 -0.60 0.00 0.00 56.93 56.79 1qoh s PHE 568 Cb -0.15 -2.47 0.07 0.00 0.51 0.00 0.00 43.02 40.98 1qoh s PHE 568 CO 0.00 -0.12 0.76 0.09 0.70 0.00 0.00 175.22 176.65