#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 6.60 0.08 0.00 1.11 -1.26 -1.70 116.67 121.49 1qoh s ASP 503 Ca 0.00 -1.95 -0.23 0.00 0.18 0.00 0.00 52.55 50.55 1qoh s ASP 503 Cb 0.00 -2.42 -0.14 0.00 1.07 0.00 0.00 42.92 41.43 1qoh s ASP 503 CO 0.00 -1.12 1.66 0.00 1.18 0.00 0.00 175.17 176.88 1qoh s ALA 505 N -5.81 -0.62 -0.18 0.00 0.00 -1.20 -4.98 121.76 108.97 1qoh s ALA 505 Ca -0.14 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 1qoh s ALA 505 Cb 0.06 0.51 0.07 0.00 0.00 0.00 0.00 23.12 23.76 1qoh s ALA 505 CO 0.67 -0.53 0.41 0.21 0.00 0.00 0.00 175.76 176.52 1qoh s LYS 506 N -3.46 0.36 0.00 0.00 2.20 -1.26 -0.81 119.74 116.77 1qoh s LYS 506 Ca 0.01 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.51 1qoh s LYS 506 Cb 0.02 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1qoh s LYS 506 CO -0.09 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 1qoh n GLY 507 N 4.75 -1.09 3.83 5.54 0.00 -0.87 -4.73 105.19 112.62 1qoh n GLY 507 Ca -0.17 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.00 3.57 -0.18 1.61 -0.14 -1.26 -1.56 119.74 119.78 1qoh s LYS 508 Ca 0.00 0.98 -0.29 0.00 -1.36 0.00 0.00 55.97 55.30 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 -0.59 1.00 0.42 -0.76 0.00 0.00 175.35 175.42 1qoh s ILE 509 N -2.75 4.75 0.05 2.17 1.01 -1.26 -4.46 121.20 120.71 1qoh s ILE 509 Ca 0.59 1.97 -0.16 0.00 0.00 0.00 0.00 60.65 63.05 1qoh s ILE 509 Cb -0.12 -4.28 -0.21 0.00 0.01 0.00 0.00 42.46 37.85 1qoh s ILE 509 CO 0.41 -0.09 1.19 -0.08 0.00 0.00 0.00 174.94 176.37 1qoh h GLU 510 N 7.32 0.60 -2.62 2.79 4.81 -0.89 -3.48 114.58 123.12 1qoh h GLU 510 Ca -0.25 -0.59 0.07 0.00 -0.13 0.00 0.00 59.36 58.47 1qoh h GLU 510 Cb 1.10 0.15 -0.12 0.00 0.63 0.00 0.00 28.75 30.52 1qoh h GLU 510 CO 0.91 1.20 0.36 -0.59 -0.73 0.00 0.00 179.01 180.17 1qoh s PHE 511 N -3.43 -0.36 0.17 0.92 -0.12 -1.26 -4.99 117.98 108.91 1qoh s PHE 511 Ca -0.11 0.13 0.03 0.00 -0.05 0.00 0.00 56.93 56.93 1qoh s PHE 511 Cb 0.06 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 42.99 1qoh s PHE 511 CO 0.87 -0.78 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.69 1qoh s SER 512 N -2.70 1.53 -0.14 1.98 1.04 -1.26 -1.85 113.70 112.29 1qoh s SER 512 Ca 0.06 -1.12 -0.07 0.00 0.48 0.00 0.00 55.95 55.29 1qoh s SER 512 Cb -0.02 0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.21 1qoh s SER 512 CO -0.07 -0.47 0.34 -0.75 0.98 0.00 0.00 173.24 173.27 1qoh s LYS 513 N -3.84 0.31 -0.19 4.02 2.20 0.70 -4.98 119.74 117.96 1qoh s LYS 513 Ca 0.22 0.68 -0.18 0.00 -0.36 0.00 0.00 55.97 56.32 1qoh s LYS 513 Cb 0.05 -0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.27 1qoh s LYS 513 CO 0.03 -0.16 0.52 -0.47 -0.36 0.00 0.00 175.35 174.91 1qoh s TYR 514 N 1.38 3.38 0.28 4.03 6.14 -1.26 -0.65 117.35 130.64 1qoh s TYR 514 Ca -0.09 0.79 0.01 0.00 0.64 0.00 0.00 57.07 58.42 1qoh s TYR 514 Cb -0.09 -2.66 -0.03 0.00 0.42 0.00 0.00 41.96 39.59 1qoh s TYR 514 CO -0.11 -0.08 0.45 -0.80 0.64 0.00 0.00 175.55 175.66 1qoh s ASN 515 N 1.11 6.33 0.43 4.32 0.01 -0.44 -5.00 114.94 121.69 1qoh s ASN 515 Ca 0.24 0.34 0.10 0.00 -0.71 0.00 0.00 52.86 52.83 1qoh s ASN 515 Cb -0.15 -1.98 0.94 0.00 0.41 0.00 0.00 41.25 40.47 1qoh s ASN 515 CO 0.10 -0.16 2.05 -0.08 -1.51 0.00 0.00 177.10 177.49 1qoh h GLU 516 N 1.21 0.45 0.00 -0.60 4.81 -1.97 -0.86 114.58 117.62 1qoh h GLU 516 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1qoh h GLU 516 Cb 1.21 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1qoh h GLU 516 CO 0.63 0.30 0.00 -0.40 -0.73 0.00 0.00 179.01 178.81 1qoh n ASP 517 N -4.48 0.00 -0.09 1.04 5.68 -1.26 -4.86 116.55 112.58 1qoh n ASP 517 Ca 0.04 -1.81 -0.01 0.00 -0.50 0.00 0.00 54.79 52.51 1qoh n ASP 517 Cb 0.14 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.12 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 -0.58 -3.72 -4.94 -1.12 3.02 -0.33 -5.04 115.26 102.56 1qoh n ASN 518 Ca 0.04 0.03 -0.25 0.00 -0.03 0.00 0.00 54.58 54.37 1qoh n ASN 518 Cb 0.02 -1.32 0.05 0.00 -0.61 0.00 0.00 39.78 37.92 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 2.66 -0.03 3.41 -4.23 -1.26 -4.86 115.64 109.48 1qoh s THR 519 Ca 0.00 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.22 1qoh s THR 519 Cb 0.00 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1qoh s THR 519 CO 0.00 -0.09 -0.13 0.12 -0.54 0.00 0.00 174.62 173.98 1qoh s PHE 520 N -3.06 1.27 -0.01 3.99 5.36 -0.05 -1.32 117.98 124.16 1qoh s PHE 520 Ca 0.58 -0.34 0.05 0.00 -0.96 0.00 0.00 56.93 56.27 1qoh s PHE 520 Cb -0.11 -0.88 -0.03 0.00 -0.34 0.00 0.00 43.02 41.67 1qoh s PHE 520 CO 0.43 -0.12 -0.17 0.99 -1.46 0.00 0.00 175.22 174.89 1qoh s THR 521 N 0.11 2.87 0.05 0.12 2.01 0.17 -0.91 115.64 120.06 1qoh s THR 521 Ca -0.03 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.05 1qoh s THR 521 Cb -0.10 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1qoh s THR 521 CO 0.01 0.48 -0.10 0.68 -0.69 0.00 0.00 174.62 175.01 1qoh s VAL 522 N -0.81 0.70 -0.19 3.82 -7.23 -0.14 -0.21 120.40 116.35 1qoh s VAL 522 Ca 0.13 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.17 1qoh s VAL 522 Cb -0.11 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.10 1qoh s VAL 522 CO 0.03 -0.32 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.64 1qoh s LYS 523 N -1.57 3.25 -0.04 4.82 2.20 -0.77 -0.95 119.74 126.66 1qoh s LYS 523 Ca -0.07 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 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 0.01 -0.13 -0.06 0.08 -0.36 0.00 0.00 175.35 174.89 1qoh s VAL 524 N 1.23 0.64 -1.38 4.02 1.01 0.06 -0.09 120.40 125.88 1qoh s VAL 524 Ca 0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1qoh s VAL 524 Cb -0.14 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1qoh s VAL 524 CO -0.05 0.24 1.01 -1.20 0.00 0.00 0.00 175.10 175.10 1qoh n SER 525 N 3.92 -4.31 0.00 3.32 7.64 -1.26 -1.80 113.62 121.12 1qoh n SER 525 Ca -0.24 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1qoh n SER 525 Cb 0.51 -4.50 0.00 0.00 -1.01 0.00 0.00 64.21 59.21 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 -1.70 0.83 3.56 0.23 0.00 -1.26 -4.98 105.19 101.87 1qoh n GLY 526 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.34 2.13 -0.07 1.61 0.52 -0.75 -5.06 118.95 117.00 1qoh s ARG 527 Ca 0.00 -1.01 -0.03 0.00 -0.52 0.00 0.00 55.73 54.17 1qoh s ARG 527 Cb 0.00 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 33.14 1qoh s ARG 527 CO 0.00 0.52 0.08 -1.21 0.02 0.00 0.00 175.30 174.71 1qoh s GLU 528 N -2.06 3.17 0.05 3.54 2.02 -1.26 -0.76 118.70 123.39 1qoh s GLU 528 Ca 0.20 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.86 1qoh s GLU 528 Cb -0.11 -2.95 -0.03 0.00 0.10 0.00 0.00 34.13 31.14 1qoh s GLU 528 CO 0.12 0.71 -0.05 0.71 0.02 0.00 0.00 175.26 176.77 1qoh s TYR 529 N -1.05 0.55 0.14 1.61 1.51 -0.12 0.11 117.35 120.10 1qoh s TYR 529 Ca 0.18 -0.68 0.04 0.00 -1.01 0.00 0.00 57.07 55.60 1qoh s TYR 529 Cb -0.12 -0.35 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 1qoh s TYR 529 CO 0.07 -0.18 -0.10 1.67 -1.11 0.00 0.00 175.55 175.91 1qoh s TRP 530 N -2.21 1.23 0.01 2.71 1.48 -1.00 -0.96 118.94 120.19 1qoh s TRP 530 Ca -0.05 -0.76 -0.06 0.00 -1.06 0.00 0.00 56.10 54.17 1qoh s TRP 530 Cb -0.04 -0.63 -0.00 0.00 -1.16 0.00 0.00 33.47 31.63 1qoh s TRP 530 CO -0.03 0.06 0.11 -0.08 -4.06 0.00 0.00 176.95 172.95 1qoh s THR 531 N -3.28 0.09 -0.51 0.66 -1.32 -0.08 -1.31 115.64 109.90 1qoh s THR 531 Ca 0.15 -0.78 0.15 0.00 -1.21 0.00 0.00 61.69 60.01 1qoh s THR 531 Cb 0.02 -0.47 0.54 0.00 -1.51 0.00 0.00 72.50 71.09 1qoh s THR 531 CO 0.00 -0.43 1.45 -0.46 -2.21 0.00 0.00 174.62 172.97 1qoh n ASN 532 N 1.38 4.01 -4.54 8.08 0.23 -1.26 -0.87 115.26 122.28 1qoh n ASN 532 Ca -0.23 -2.68 -0.43 0.00 -0.53 0.00 0.00 54.58 50.72 1qoh n ASN 532 Cb 0.56 -0.49 -0.06 0.00 -2.08 0.00 0.00 39.78 37.70 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 -2.24 3.44 0.45 -3.83 1.81 -1.26 -4.91 118.95 112.41 1qoh s ARG 533 Ca 0.41 -0.13 0.13 0.00 -1.72 0.00 0.00 55.73 54.42 1qoh s ARG 533 Cb 0.30 -3.91 1.06 0.00 -0.45 0.00 0.00 34.95 31.94 1qoh s ARG 533 CO 0.14 -0.99 2.03 -1.49 -0.68 0.00 0.00 175.30 174.30 1qoh h TRP 534 N 8.82 0.35 0.00 -0.53 4.06 -1.91 -2.02 115.95 124.72 1qoh h TRP 534 Ca -0.25 0.01 -0.06 0.00 2.06 0.00 0.00 58.89 60.64 1qoh h TRP 534 Cb 1.09 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 29.13 1qoh h TRP 534 CO 0.77 0.19 -0.30 -0.91 -3.56 0.00 0.00 178.44 174.62 1qoh h ASN 535 N 0.35 0.00 0.77 -3.49 4.21 -2.02 -2.68 115.58 112.72 1qoh h ASN 535 Ca 0.20 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.67 1qoh h ASN 535 Cb 0.35 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 1qoh h ASN 535 CO -0.05 0.30 -0.20 -0.07 -1.29 0.00 0.00 177.43 176.12 1qoh h LEU 536 N 0.00 0.00 0.05 1.61 3.38 -1.78 -3.36 115.31 115.22 1qoh h LEU 536 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1qoh h LEU 536 Cb 0.55 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1qoh h LEU 536 CO 0.04 0.20 -0.46 1.56 0.09 0.00 0.00 178.44 179.87 1qoh h GLN 537 N 0.00 -0.62 -0.25 1.13 4.20 -1.56 0.26 115.11 118.27 1qoh h GLN 537 Ca -0.00 0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1qoh h GLN 537 Cb 0.64 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1qoh h GLN 537 CO 0.03 -0.42 -0.21 -1.00 -0.67 0.00 0.00 178.83 176.56 1qoh h PRO 538 N -0.65 0.47 -0.35 1.46 0.13 -1.78 -1.59 132.00 129.68 1qoh h PRO 538 Ca 0.03 -0.16 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1qoh h PRO 538 Cb 0.70 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 1qoh h PRO 538 CO -0.30 0.66 0.15 -0.07 -0.23 0.00 0.00 178.00 178.21 1qoh h LEU 539 N 0.42 0.48 -0.63 1.56 3.38 -1.59 -0.81 115.31 118.12 1qoh h LEU 539 Ca 0.07 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1qoh h LEU 539 Cb 0.61 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1qoh h LEU 539 CO 0.04 0.50 0.14 -0.07 0.09 0.00 0.00 178.44 179.14 1qoh h LEU 540 N 0.43 0.97 -0.66 1.67 3.38 -0.32 -1.56 115.31 119.22 1qoh h LEU 540 Ca 0.12 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1qoh h LEU 540 Cb 0.16 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1qoh h LEU 540 CO -0.01 0.96 -0.13 -0.61 0.09 0.00 0.00 178.44 178.74 1qoh h GLN 541 N 0.94 0.91 -0.63 1.13 4.15 -1.08 -0.45 115.11 120.08 1qoh h GLN 541 Ca 0.20 -0.33 -0.07 0.00 0.77 0.00 0.00 58.65 59.22 1qoh h GLN 541 Cb 0.38 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 1qoh h GLN 541 CO 0.00 0.98 0.12 0.77 -1.93 0.00 0.00 178.83 178.78 1qoh h SER 542 N 0.81 0.97 -0.81 -0.69 0.02 -0.95 0.51 113.55 113.41 1qoh h SER 542 Ca 0.13 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1qoh h SER 542 Cb 0.66 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1qoh h SER 542 CO 0.05 0.95 0.49 0.00 -1.14 0.00 0.00 176.83 177.18 1qoh h ALA 543 N 1.16 1.03 -0.24 3.77 0.00 -1.02 -0.87 119.26 123.10 1qoh h ALA 543 Ca 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1qoh h ALA 543 Cb 0.39 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qoh h ALA 543 CO 0.01 0.49 -0.09 0.37 0.00 0.00 0.00 179.25 180.02 1qoh h GLN 544 N 1.11 0.48 -0.62 0.00 4.15 -0.30 -0.49 115.11 119.44 1qoh h GLN 544 Ca 0.29 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1qoh h GLN 544 Cb -0.05 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 1qoh h GLN 544 CO -0.05 0.74 0.38 -0.07 -1.93 0.00 0.00 178.83 177.89 1qoh h LEU 545 N 0.21 0.74 -0.24 -2.39 3.38 -0.68 -2.99 115.31 113.34 1qoh h LEU 545 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qoh h LEU 545 Cb 0.58 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1qoh h LEU 545 CO 0.03 0.58 -0.23 0.35 0.09 0.00 0.00 178.44 179.25 1qoh n THR 546 N -4.61 0.00 -2.82 0.22 -2.24 -0.35 -4.97 114.28 99.51 1qoh n THR 546 Ca 0.05 -0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1qoh n THR 546 Cb 0.05 0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.41 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 1.37 0.49 3.86 3.38 0.00 -0.49 -5.04 105.19 108.76 1qoh n GLY 547 Ca 0.11 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.36 3.72 -0.19 1.61 -1.94 -0.31 -4.98 119.30 111.84 1qoh s MET 548 Ca 0.17 0.81 -0.17 0.00 -1.71 0.00 0.00 55.69 54.79 1qoh s MET 548 Cb -0.08 -2.11 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 1qoh s MET 548 CO 0.22 -0.46 0.46 0.99 -0.01 0.00 0.00 175.02 176.23 1qoh s THR 549 N -2.98 5.15 0.14 2.05 2.01 -1.26 -4.44 115.64 116.32 1qoh s THR 549 Ca 0.56 0.85 0.09 0.00 0.31 0.00 0.00 61.69 63.50 1qoh s THR 549 Cb -0.11 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1qoh s THR 549 CO 0.46 0.22 -0.15 0.68 -0.69 0.00 0.00 174.62 175.14 1qoh s VAL 550 N 1.41 2.97 -0.24 3.82 -7.23 -0.60 -1.19 120.40 119.34 1qoh s VAL 550 Ca 0.22 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1qoh s VAL 550 Cb -0.15 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.43 1qoh s VAL 550 CO 0.09 0.02 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.89 1qoh s THR 551 N -1.37 2.04 -0.15 5.32 2.01 -0.07 -2.06 115.64 121.36 1qoh s THR 551 Ca 0.21 -1.40 -0.28 0.00 0.31 0.00 0.00 61.69 60.53 1qoh s THR 551 Cb -0.10 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 1qoh s THR 551 CO 0.12 0.10 0.96 -0.63 -0.69 0.00 0.00 174.62 174.48 1qoh s ILE 552 N 1.19 4.79 -0.13 1.82 -1.09 0.01 -1.54 121.20 126.25 1qoh s ILE 552 Ca -0.05 1.92 0.01 0.00 -2.23 0.00 0.00 60.65 60.30 1qoh s ILE 552 Cb -0.18 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.43 1qoh s ILE 552 CO -0.07 -0.03 -0.16 -0.63 -1.23 0.00 0.00 174.94 172.82 1qoh s ILE 553 N 2.29 2.69 0.29 2.92 1.01 -0.56 -0.65 121.20 129.20 1qoh s ILE 553 Ca 0.44 -0.78 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 1qoh s ILE 553 Cb -0.17 -2.11 0.06 0.00 0.01 0.00 0.00 42.46 40.24 1qoh s ILE 553 CO 0.14 0.53 0.87 -0.55 0.00 0.00 0.00 174.94 175.92 1qoh s SER 554 N 0.51 -0.05 -0.02 3.58 0.15 -0.69 -3.84 113.70 113.34 1qoh s SER 554 Ca -0.11 -0.87 0.07 0.00 0.70 0.00 0.00 55.95 55.75 1qoh s SER 554 Cb -0.16 0.70 -0.24 0.00 -1.71 0.00 0.00 66.02 64.61 1qoh s SER 554 CO 0.04 -1.37 0.75 0.78 1.20 0.00 0.00 173.24 174.64 1qoh h ASN 555 N 2.00 0.10 -3.41 5.45 -0.26 -1.87 -0.91 115.58 116.68 1qoh h ASN 555 Ca -0.28 -0.19 -0.67 0.00 -0.56 0.00 0.00 56.30 54.61 1qoh h ASN 555 Cb 1.24 -0.03 -0.30 0.00 -1.06 0.00 0.00 38.32 38.16 1qoh h ASN 555 CO 0.35 1.16 -0.74 0.42 -1.06 0.00 0.00 177.43 177.56 1qoh s THR 556 N -2.61 3.03 -1.89 2.81 -4.23 -1.26 -4.90 115.64 106.59 1qoh s THR 556 Ca -0.06 -0.79 0.21 0.00 -1.18 0.00 0.00 61.69 59.87 1qoh s THR 556 Cb 0.08 -2.45 0.59 0.00 1.34 0.00 0.00 72.50 72.07 1qoh s THR 556 CO 0.82 0.32 1.50 0.00 -0.54 0.00 0.00 174.62 176.72 1qoh s SER 558 N -1.03 6.75 0.25 0.00 1.04 -1.26 -4.94 113.70 114.51 1qoh s SER 558 Ca 0.45 2.13 -0.29 0.00 0.48 0.00 0.00 55.95 58.72 1qoh s SER 558 Cb 0.24 -2.60 -0.15 0.00 0.10 0.00 0.00 66.02 63.62 1qoh s SER 558 CO 0.31 -0.50 1.05 -0.24 0.98 0.00 0.00 173.24 174.84 1qoh n SER 559 N 0.10 1.27 0.00 7.02 2.88 -1.26 -1.47 113.62 122.16 1qoh n SER 559 Ca 0.04 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1qoh n SER 559 Cb 0.48 -1.26 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 1.51 0.71 3.88 0.46 0.00 0.12 -4.90 105.19 106.97 1qoh n GLY 560 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.93 6.38 0.45 1.61 0.01 -0.54 -4.82 113.70 113.86 1qoh s SER 561 Ca 0.00 1.14 -0.07 0.00 1.31 0.00 0.00 55.95 58.34 1qoh s SER 561 Cb 0.00 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1qoh s SER 561 CO 0.00 -0.56 0.77 -0.83 0.41 0.00 0.00 173.24 173.02 1qoh s GLY 562 N -3.69 1.63 0.05 3.44 0.00 -1.26 -2.38 107.32 105.11 1qoh s GLY 562 Ca 0.51 -0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.62 1qoh s GLY 562 CO 0.40 -0.26 0.42 -0.11 0.00 0.00 0.00 173.10 173.55 1qoh s PHE 563 N -2.61 -0.27 0.00 1.90 -0.71 -0.42 -4.81 117.98 111.05 1qoh s PHE 563 Ca 0.48 0.22 0.00 0.00 -1.04 0.00 0.00 56.93 56.60 1qoh s PHE 563 Cb -0.10 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.94 1qoh s PHE 563 CO 0.41 -0.58 0.79 0.00 -1.34 0.00 0.00 175.22 174.49 1qoh n ALA 564 N 0.46 1.89 -3.62 1.99 0.00 -1.26 -4.32 120.51 115.64 1qoh n ALA 564 Ca -0.18 -0.65 -0.14 0.00 0.00 0.00 0.00 53.44 52.47 1qoh n ALA 564 Cb 0.60 -0.30 -0.15 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.16 0.00 2.12 -1.25 -5.09 118.70 114.30 1qoh s GLU 565 Ca 0.00 0.19 -0.18 0.00 0.36 0.00 0.00 54.97 55.34 1qoh s GLU 565 Cb 0.00 -0.20 0.05 0.00 0.26 0.00 0.00 34.13 34.24 1qoh s GLU 565 CO 0.00 -0.14 0.48 0.54 -0.54 0.00 0.00 175.26 175.60 1qoh s VAL 566 N 0.92 0.00 -0.15 3.70 0.11 -1.26 -1.50 120.40 122.22 1qoh s VAL 566 Ca -0.08 -0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.91 1qoh s VAL 566 Cb -0.11 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1qoh s VAL 566 CO -0.03 -0.02 -0.06 -1.58 -3.33 0.00 0.00 175.10 170.08 1qoh s GLN 567 N 0.06 3.58 -0.23 1.54 0.74 -0.59 -4.91 119.66 119.84 1qoh s GLN 567 Ca -0.02 -0.57 -0.08 0.00 0.05 0.00 0.00 55.36 54.74 1qoh s GLN 567 Cb -0.03 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.18 1qoh s GLN 567 CO 0.01 0.21 0.10 -0.06 -0.55 0.00 0.00 175.29 175.00 1qoh s PHE 568 N 0.43 3.18 -0.30 1.67 0.40 -1.26 -0.89 117.98 121.21 1qoh s PHE 568 Ca -0.05 -0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 1qoh s PHE 568 Cb -0.15 -2.22 0.02 0.00 0.51 0.00 0.00 43.02 41.19 1qoh s PHE 568 CO 0.03 -0.12 0.58 0.09 0.70 0.00 0.00 175.22 176.50