#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 6.43 0.09 0.00 1.11 -1.26 -2.04 116.67 121.00 1qoh s ASP 503 Ca 0.00 -1.52 -0.17 0.00 0.18 0.00 0.00 52.55 51.03 1qoh s ASP 503 Cb 0.00 -2.44 -0.07 0.00 1.07 0.00 0.00 42.92 41.48 1qoh s ASP 503 CO 0.00 -1.29 1.52 0.00 1.18 0.00 0.00 175.17 176.57 1qoh s ALA 505 N -4.91 -0.93 -0.19 0.00 0.00 -1.22 -5.00 121.76 109.51 1qoh s ALA 505 Ca -0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 1qoh s ALA 505 Cb 0.08 0.66 0.08 0.00 0.00 0.00 0.00 23.12 23.94 1qoh s ALA 505 CO 0.77 -0.63 0.43 0.21 0.00 0.00 0.00 175.76 176.54 1qoh s LYS 506 N -3.69 0.37 0.00 0.00 2.20 -1.26 -1.48 119.74 115.88 1qoh s LYS 506 Ca 0.02 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 1qoh s LYS 506 Cb 0.02 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 1qoh s LYS 506 CO -0.11 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 1qoh n GLY 507 N 4.83 -1.32 3.84 5.54 0.00 -0.70 -4.70 105.19 112.68 1qoh n GLY 507 Ca -0.16 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.89 3.56 -0.19 1.61 -0.14 -1.26 -1.22 119.74 120.21 1qoh s LYS 508 Ca 0.00 0.97 -0.27 0.00 -1.36 0.00 0.00 55.97 55.31 1qoh s LYS 508 Cb 0.00 -2.08 -0.00 0.00 -1.68 0.00 0.00 37.83 34.07 1qoh s LYS 508 CO 0.00 -0.60 0.93 0.42 -0.76 0.00 0.00 175.35 175.34 1qoh s ILE 509 N -2.77 4.79 0.02 2.17 1.01 -1.26 -4.41 121.20 120.74 1qoh s ILE 509 Ca 0.59 1.83 -0.19 0.00 0.00 0.00 0.00 60.65 62.88 1qoh s ILE 509 Cb -0.12 -4.22 -0.20 0.00 0.01 0.00 0.00 42.46 37.92 1qoh s ILE 509 CO 0.41 -0.06 1.18 -0.08 0.00 0.00 0.00 174.94 176.39 1qoh h GLU 510 N 7.39 0.44 -2.55 2.79 4.81 -1.08 -3.48 114.58 122.90 1qoh h GLU 510 Ca -0.25 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1qoh h GLU 510 Cb 1.10 0.09 -0.15 0.00 0.63 0.00 0.00 28.75 30.42 1qoh h GLU 510 CO 0.89 1.03 0.29 -0.59 -0.73 0.00 0.00 179.01 179.90 1qoh s PHE 511 N -3.53 -0.52 0.24 0.92 -0.12 -1.26 -5.00 117.98 108.72 1qoh s PHE 511 Ca -0.13 0.50 0.09 0.00 -0.05 0.00 0.00 56.93 57.33 1qoh s PHE 511 Cb 0.04 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 1qoh s PHE 511 CO 0.81 -0.70 -0.14 -1.54 -0.05 0.00 0.00 175.22 173.60 1qoh s SER 512 N -2.25 2.91 -0.15 1.98 1.04 -1.26 -1.58 113.70 114.38 1qoh s SER 512 Ca -0.01 -1.07 -0.07 0.00 0.48 0.00 0.00 55.95 55.29 1qoh s SER 512 Cb -0.01 -0.19 0.06 0.00 0.10 0.00 0.00 66.02 65.98 1qoh s SER 512 CO -0.06 -0.16 0.33 -0.75 0.98 0.00 0.00 173.24 173.58 1qoh s LYS 513 N -3.63 0.27 -0.18 4.02 2.20 0.54 -4.97 119.74 117.99 1qoh s LYS 513 Ca 0.26 0.75 -0.22 0.00 -0.36 0.00 0.00 55.97 56.40 1qoh s LYS 513 Cb -0.01 0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 1qoh s LYS 513 CO 0.10 -0.20 0.70 -0.47 -0.36 0.00 0.00 175.35 175.12 1qoh s TYR 514 N 1.80 3.40 0.23 4.03 6.14 -1.26 -0.69 117.35 130.99 1qoh s TYR 514 Ca -0.06 1.05 0.00 0.00 0.64 0.00 0.00 57.07 58.70 1qoh s TYR 514 Cb -0.10 -2.87 -0.04 0.00 0.42 0.00 0.00 41.96 39.36 1qoh s TYR 514 CO -0.11 -0.19 0.41 -0.80 0.64 0.00 0.00 175.55 175.50 1qoh s ASN 515 N 1.17 6.36 0.49 4.32 0.01 -0.43 -5.00 114.94 121.86 1qoh s ASN 515 Ca 0.32 0.37 0.14 0.00 -0.71 0.00 0.00 52.86 52.98 1qoh s ASN 515 Cb -0.16 -2.00 1.15 0.00 0.41 0.00 0.00 41.25 40.65 1qoh s ASN 515 CO 0.11 -0.09 2.11 -0.08 -1.51 0.00 0.00 177.10 177.64 1qoh h GLU 516 N 1.71 0.17 -0.14 -0.60 4.81 -1.97 -0.69 114.58 117.88 1qoh h GLU 516 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1qoh h GLU 516 Cb 1.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1qoh h GLU 516 CO 0.66 0.11 0.00 -0.40 -0.73 0.00 0.00 179.01 178.66 1qoh n ASP 517 N -4.51 0.49 -0.09 1.04 5.68 -1.26 -4.88 116.55 113.02 1qoh n ASP 517 Ca 0.00 -2.01 -0.01 0.00 -0.50 0.00 0.00 54.79 52.27 1qoh n ASP 517 Cb 0.12 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.01 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 -0.25 -3.71 -4.95 -1.12 3.02 -0.27 -5.03 115.26 102.95 1qoh n ASN 518 Ca 0.03 0.03 -0.23 0.00 -0.03 0.00 0.00 54.58 54.38 1qoh n ASN 518 Cb 0.08 -1.32 0.02 0.00 -0.61 0.00 0.00 39.78 37.96 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 -1.85 3.48 -0.04 3.41 -4.23 -1.26 -4.88 115.64 110.28 1qoh s THR 519 Ca 0.00 -0.46 0.05 0.00 -1.18 0.00 0.00 61.69 60.10 1qoh s THR 519 Cb 0.00 -3.31 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 1qoh s THR 519 CO 0.00 -0.24 -0.19 0.12 -0.54 0.00 0.00 174.62 173.77 1qoh s PHE 520 N -2.71 1.85 -0.00 3.99 5.36 -0.52 -1.31 117.98 124.63 1qoh s PHE 520 Ca 0.52 -0.48 0.07 0.00 -0.96 0.00 0.00 56.93 56.08 1qoh s PHE 520 Cb -0.10 -1.22 -0.03 0.00 -0.34 0.00 0.00 43.02 41.33 1qoh s PHE 520 CO 0.39 -0.13 -0.21 0.99 -1.46 0.00 0.00 175.22 174.80 1qoh s THR 521 N -0.14 2.48 0.06 0.12 2.01 0.13 -1.09 115.64 119.22 1qoh s THR 521 Ca -0.00 -1.07 0.05 0.00 0.31 0.00 0.00 61.69 60.97 1qoh s THR 521 Cb -0.11 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1qoh s THR 521 CO 0.02 0.50 -0.14 0.68 -0.69 0.00 0.00 174.62 174.99 1qoh s VAL 522 N -0.74 1.05 -0.20 3.82 -7.23 0.42 -0.34 120.40 117.19 1qoh s VAL 522 Ca 0.12 -1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 59.02 1qoh s VAL 522 Cb -0.10 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.83 1qoh s VAL 522 CO 0.01 -0.22 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.72 1qoh s LYS 523 N -1.65 3.21 -0.06 4.82 2.20 -0.62 -0.98 119.74 126.66 1qoh s LYS 523 Ca -0.02 -0.72 0.01 0.00 -0.36 0.00 0.00 55.97 54.88 1qoh s LYS 523 Cb -0.10 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.44 1qoh s LYS 523 CO 0.02 -0.18 -0.09 0.08 -0.36 0.00 0.00 175.35 174.83 1qoh s VAL 524 N 1.33 0.89 -1.41 4.02 1.01 -0.20 -0.35 120.40 125.68 1qoh s VAL 524 Ca 0.04 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 1qoh s VAL 524 Cb -0.14 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.43 1qoh s VAL 524 CO -0.07 0.31 0.99 -1.20 0.00 0.00 0.00 175.10 175.13 1qoh n SER 525 N 4.03 -4.33 0.00 3.32 7.64 -1.26 -1.98 113.62 121.04 1qoh n SER 525 Ca -0.22 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1qoh n SER 525 Cb 0.51 -4.36 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 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 -1.71 0.53 3.45 0.23 0.00 -1.26 -4.99 105.19 101.44 1qoh n GLY 526 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.49 1.71 -0.08 1.61 0.52 -0.84 -5.05 118.95 116.34 1qoh s ARG 527 Ca 0.00 -1.20 -0.04 0.00 -0.52 0.00 0.00 55.73 53.97 1qoh s ARG 527 Cb 0.00 -2.06 -0.04 0.00 0.52 0.00 0.00 34.95 33.37 1qoh s ARG 527 CO 0.00 0.48 0.10 -1.21 0.02 0.00 0.00 175.30 174.68 1qoh s GLU 528 N -2.02 3.24 0.02 3.54 2.02 -1.26 -1.03 118.70 123.20 1qoh s GLU 528 Ca 0.16 -0.30 -0.00 0.00 0.02 0.00 0.00 54.97 54.85 1qoh s GLU 528 Cb -0.10 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.10 1qoh s GLU 528 CO 0.08 0.72 -0.02 0.71 0.02 0.00 0.00 175.26 176.77 1qoh s TYR 529 N -1.06 0.23 0.17 1.61 2.02 -0.15 0.11 117.35 120.27 1qoh s TYR 529 Ca 0.17 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1qoh s TYR 529 Cb -0.12 -0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.23 1qoh s TYR 529 CO 0.07 -0.18 -0.14 1.67 -1.57 0.00 0.00 175.55 175.40 1qoh s TRP 530 N -1.34 1.56 0.01 2.71 1.48 -0.91 -0.44 118.94 122.02 1qoh s TRP 530 Ca -0.15 -0.59 -0.03 0.00 -1.06 0.00 0.00 56.10 54.28 1qoh s TRP 530 Cb -0.09 -0.77 -0.01 0.00 -1.16 0.00 0.00 33.47 31.44 1qoh s TRP 530 CO -0.01 0.25 0.03 -0.08 -4.06 0.00 0.00 176.95 173.08 1qoh s THR 531 N -2.67 0.10 -0.49 0.66 -1.32 -0.25 -1.08 115.64 110.58 1qoh s THR 531 Ca 0.17 -0.80 0.15 0.00 -1.21 0.00 0.00 61.69 60.00 1qoh s THR 531 Cb -0.02 -0.32 0.49 0.00 -1.51 0.00 0.00 72.50 71.14 1qoh s THR 531 CO 0.05 -0.44 1.40 -0.46 -2.21 0.00 0.00 174.62 172.96 1qoh n ASN 532 N 1.60 3.73 -4.55 8.08 0.23 -1.26 -1.44 115.26 121.65 1qoh n ASN 532 Ca -0.23 -2.65 -0.43 0.00 -0.53 0.00 0.00 54.58 50.74 1qoh n ASN 532 Cb 0.55 -0.45 -0.04 0.00 -2.08 0.00 0.00 39.78 37.76 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 -2.17 3.47 0.53 -3.83 1.81 -1.26 -4.92 118.95 112.59 1qoh s ARG 533 Ca 0.37 0.04 0.21 0.00 -1.72 0.00 0.00 55.73 54.63 1qoh s ARG 533 Cb 0.27 -3.95 1.42 0.00 -0.45 0.00 0.00 34.95 32.24 1qoh s ARG 533 CO 0.13 -1.24 2.16 0.11 -0.68 0.00 0.00 175.30 175.77 1qoh h TRP 534 N 9.09 0.00 -0.19 -0.53 5.08 -1.90 -2.74 115.95 124.76 1qoh h TRP 534 Ca -0.24 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.68 1qoh h TRP 534 Cb 1.08 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.23 1qoh h TRP 534 CO 0.86 0.03 -0.07 -0.91 -1.28 0.00 0.00 178.44 177.08 1qoh h ASN 535 N 0.00 0.27 0.37 0.11 4.21 -2.01 -2.80 115.58 115.73 1qoh h ASN 535 Ca -0.00 -0.05 -0.06 0.00 1.21 0.00 0.00 56.30 57.40 1qoh h ASN 535 Cb 0.07 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1qoh h ASN 535 CO 0.00 0.37 -0.31 -0.07 -1.29 0.00 0.00 177.43 176.14 1qoh h LEU 536 N 0.28 0.00 -0.16 1.61 3.38 -1.91 -3.35 115.31 115.16 1qoh h LEU 536 Ca 0.06 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1qoh h LEU 536 Cb 0.30 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1qoh h LEU 536 CO 0.01 0.31 -0.52 1.56 0.09 0.00 0.00 178.44 179.90 1qoh h GLN 537 N 0.00 -0.53 -0.28 1.13 4.20 -1.61 0.56 115.11 118.59 1qoh h GLN 537 Ca -0.00 0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 1qoh h GLN 537 Cb 0.58 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1qoh h GLN 537 CO 0.04 -0.35 -0.14 -1.00 -0.67 0.00 0.00 178.83 176.71 1qoh h PRO 538 N -0.55 0.48 -0.35 1.46 0.13 -1.78 -1.71 132.00 129.68 1qoh h PRO 538 Ca 0.05 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1qoh h PRO 538 Cb 0.67 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1qoh h PRO 538 CO -0.45 0.62 0.08 -0.07 -0.23 0.00 0.00 178.00 177.95 1qoh h LEU 539 N 0.45 0.54 -0.57 1.56 3.38 -1.54 -1.41 115.31 117.72 1qoh h LEU 539 Ca 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1qoh h LEU 539 Cb 0.51 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1qoh h LEU 539 CO 0.03 0.64 0.23 -0.07 0.09 0.00 0.00 178.44 179.36 1qoh h LEU 540 N 0.42 0.79 -0.69 1.67 3.38 0.31 -1.83 115.31 119.37 1qoh h LEU 540 Ca 0.11 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1qoh h LEU 540 Cb 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1qoh h LEU 540 CO 0.00 0.74 0.23 -0.61 0.09 0.00 0.00 178.44 178.89 1qoh h GLN 541 N 0.78 1.07 -0.47 1.13 4.15 -1.18 -0.84 115.11 119.75 1qoh h GLN 541 Ca 0.19 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 1qoh h GLN 541 Cb 0.20 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1qoh h GLN 541 CO -0.02 0.91 0.21 0.77 -1.93 0.00 0.00 178.83 178.78 1qoh h SER 542 N 1.01 0.63 -0.66 -0.69 0.02 -1.05 0.06 113.55 112.86 1qoh h SER 542 Ca 0.22 -0.15 0.11 0.00 -0.84 0.00 0.00 61.79 61.14 1qoh h SER 542 Cb 0.29 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 62.58 1qoh h SER 542 CO -0.01 0.60 0.23 0.00 -1.14 0.00 0.00 176.83 176.52 1qoh h ALA 543 N 1.05 0.87 -0.56 3.77 0.00 -0.96 -0.39 119.26 123.04 1qoh h ALA 543 Ca 0.16 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1qoh h ALA 543 Cb 0.16 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1qoh h ALA 543 CO -0.02 -0.22 -0.06 0.37 0.00 0.00 0.00 179.25 179.33 1qoh h GLN 544 N 0.39 1.03 0.00 0.00 4.15 -0.50 -0.76 115.11 119.42 1qoh h GLN 544 Ca 0.35 -0.36 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1qoh h GLN 544 Cb 0.48 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1qoh h GLN 544 CO -0.36 1.05 -0.35 -0.07 -1.93 0.00 0.00 178.83 177.17 1qoh h LEU 545 N 0.91 0.00 -1.63 -2.39 3.38 0.20 -3.06 115.31 112.72 1qoh h LEU 545 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qoh h LEU 545 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1qoh h LEU 545 CO 0.04 0.35 -0.08 0.35 0.09 0.00 0.00 178.44 179.19 1qoh n THR 546 N -3.71 0.00 -3.12 0.22 -2.24 -0.28 -5.00 114.28 100.16 1qoh n THR 546 Ca -0.01 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 61.17 1qoh n THR 546 Cb 0.44 1.39 0.05 0.00 -2.10 0.00 0.00 70.33 70.12 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 1.18 -0.03 3.88 3.38 0.00 -0.82 -5.02 105.19 107.75 1qoh n GLY 547 Ca 0.11 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.55 3.17 -0.26 1.61 -1.94 -0.35 -4.99 119.30 110.98 1qoh s MET 548 Ca 0.26 0.54 -0.13 0.00 -1.71 0.00 0.00 55.69 54.66 1qoh s MET 548 Cb -0.12 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.61 1qoh s MET 548 CO 0.47 -0.81 0.26 0.99 -0.01 0.00 0.00 175.02 175.92 1qoh s THR 549 N -3.25 5.27 0.21 2.05 2.01 -1.26 -4.38 115.64 116.28 1qoh s THR 549 Ca 0.56 0.35 0.07 0.00 0.31 0.00 0.00 61.69 62.99 1qoh s THR 549 Cb -0.11 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1qoh s THR 549 CO 0.52 0.25 0.06 0.68 -0.69 0.00 0.00 174.62 175.44 1qoh s VAL 550 N 1.63 3.93 -0.16 3.82 -7.23 -0.36 -1.02 120.40 121.02 1qoh s VAL 550 Ca 0.11 -1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1qoh s VAL 550 Cb -0.15 -3.04 0.04 0.00 0.56 0.00 0.00 36.38 33.79 1qoh s VAL 550 CO 0.09 -0.21 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.71 1qoh s THR 551 N -1.93 1.19 -0.18 5.32 2.01 -0.26 -1.71 115.64 120.08 1qoh s THR 551 Ca 0.30 -0.60 -0.24 0.00 0.31 0.00 0.00 61.69 61.46 1qoh s THR 551 Cb -0.09 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 1qoh s THR 551 CO 0.21 0.21 0.77 -0.63 -0.69 0.00 0.00 174.62 174.49 1qoh s ILE 552 N 1.61 4.92 -0.17 1.82 -1.09 -0.55 -1.20 121.20 126.54 1qoh s ILE 552 Ca 0.02 1.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 1qoh s ILE 552 Cb -0.15 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.66 1qoh s ILE 552 CO -0.08 0.05 -0.16 -0.63 -1.23 0.00 0.00 174.94 172.89 1qoh s ILE 553 N 2.09 2.47 0.35 2.92 1.01 -0.42 -0.85 121.20 128.76 1qoh s ILE 553 Ca 0.35 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 1qoh s ILE 553 Cb -0.16 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.31 1qoh s ILE 553 CO 0.12 0.52 0.77 -0.55 0.00 0.00 0.00 174.94 175.80 1qoh s SER 554 N 1.05 -0.08 -0.01 3.58 0.15 -0.87 -3.77 113.70 113.76 1qoh s SER 554 Ca -0.01 -0.97 0.08 0.00 0.70 0.00 0.00 55.95 55.76 1qoh s SER 554 Cb -0.14 0.81 -0.23 0.00 -1.71 0.00 0.00 66.02 64.74 1qoh s SER 554 CO -0.05 -1.57 0.79 0.78 1.20 0.00 0.00 173.24 174.39 1qoh h ASN 555 N 2.00 0.07 -3.33 5.45 -0.26 -1.86 -1.54 115.58 116.10 1qoh h ASN 555 Ca -0.28 -0.12 -0.66 0.00 -0.56 0.00 0.00 56.30 54.68 1qoh h ASN 555 Cb 1.25 -0.02 -0.30 0.00 -1.06 0.00 0.00 38.32 38.19 1qoh h ASN 555 CO 0.35 1.11 -0.76 0.42 -1.06 0.00 0.00 177.43 177.49 1qoh s THR 556 N -2.62 3.03 -2.22 2.81 -4.23 -1.26 -4.90 115.64 106.24 1qoh s THR 556 Ca -0.05 -0.65 0.20 0.00 -1.18 0.00 0.00 61.69 60.01 1qoh s THR 556 Cb 0.08 -2.38 0.34 0.00 1.34 0.00 0.00 72.50 71.89 1qoh s THR 556 CO 0.82 0.42 1.30 0.00 -0.54 0.00 0.00 174.62 176.63 1qoh s SER 558 N -1.41 6.68 0.21 0.00 1.04 -1.26 -4.93 113.70 114.03 1qoh s SER 558 Ca 0.33 2.32 -0.31 0.00 0.48 0.00 0.00 55.95 58.77 1qoh s SER 558 Cb 0.20 -2.61 -0.16 0.00 0.10 0.00 0.00 66.02 63.55 1qoh s SER 558 CO 0.28 -0.56 0.99 -0.24 0.98 0.00 0.00 173.24 174.68 1qoh n SER 559 N 0.28 0.79 0.00 7.02 2.88 -1.26 -1.77 113.62 121.55 1qoh n SER 559 Ca 0.03 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1qoh n SER 559 Cb 0.46 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 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 1.71 0.71 3.88 0.46 0.00 0.30 -4.88 105.19 107.36 1qoh n GLY 560 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.82 6.37 0.34 1.61 0.01 -0.73 -4.77 113.70 113.71 1qoh s SER 561 Ca 0.00 1.22 -0.09 0.00 1.31 0.00 0.00 55.95 58.39 1qoh s SER 561 Cb 0.00 -2.37 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 1qoh s SER 561 CO 0.00 -0.62 0.67 -0.83 0.41 0.00 0.00 173.24 172.87 1qoh s GLY 562 N -3.74 1.97 0.07 3.44 0.00 -1.26 -2.13 107.32 105.67 1qoh s GLY 562 Ca 0.52 -0.32 -0.10 0.00 0.00 0.00 0.00 44.72 44.82 1qoh s GLY 562 CO 0.42 -0.17 0.21 -0.11 0.00 0.00 0.00 173.10 173.45 1qoh s PHE 563 N -2.19 0.08 0.00 1.90 -0.71 -0.24 -4.79 117.98 112.03 1qoh s PHE 563 Ca 0.48 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 55.96 1qoh s PHE 563 Cb -0.11 -0.02 0.00 0.00 -1.21 0.00 0.00 43.02 41.68 1qoh s PHE 563 CO 0.29 -0.51 0.71 0.00 -1.34 0.00 0.00 175.22 174.37 1qoh n ALA 564 N 0.23 1.74 -3.76 1.99 0.00 -1.26 -4.29 120.51 115.15 1qoh n ALA 564 Ca -0.17 -0.59 -0.15 0.00 0.00 0.00 0.00 53.44 52.53 1qoh n ALA 564 Cb 0.61 -0.25 -0.16 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.01 -0.06 0.00 2.12 -1.25 -5.09 118.70 114.41 1qoh s GLU 565 Ca 0.00 0.24 -0.17 0.00 0.36 0.00 0.00 54.97 55.40 1qoh s GLU 565 Cb 0.00 -0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.19 1qoh s GLU 565 CO 0.00 -0.17 0.39 0.54 -0.54 0.00 0.00 175.26 175.48 1qoh s VAL 566 N 1.13 0.03 -0.10 3.70 0.11 -1.26 -1.30 120.40 122.71 1qoh s VAL 566 Ca -0.09 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1qoh s VAL 566 Cb -0.13 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 1qoh s VAL 566 CO -0.04 -0.15 -0.13 -1.58 -3.33 0.00 0.00 175.10 169.88 1qoh s GLN 567 N -0.84 3.08 -0.17 1.54 0.74 -0.34 -4.93 119.66 118.74 1qoh s GLN 567 Ca -0.09 -0.67 -0.05 0.00 0.05 0.00 0.00 55.36 54.60 1qoh s GLN 567 Cb -0.04 -2.56 -0.03 0.00 1.10 0.00 0.00 33.01 31.48 1qoh s GLN 567 CO 0.04 0.37 -0.00 -0.06 -0.55 0.00 0.00 175.29 175.09 1qoh s PHE 568 N -0.07 3.09 -0.20 1.67 0.40 -1.26 -1.10 117.98 120.52 1qoh s PHE 568 Ca -0.02 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1qoh s PHE 568 Cb -0.14 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.39 1qoh s PHE 568 CO 0.04 -0.01 0.55 0.09 0.70 0.00 0.00 175.22 176.58