#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfy n LYS 515 N 0.00 0.12 -4.02 -1.46 5.02 -1.26 -4.88 118.16 111.68 1qfy n LYS 515 Ca 0.00 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 55.98 1qfy n LYS 515 Cb 0.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 1qfy n LYS 515 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1qfy s LYS 516 N -2.91 3.15 -1.13 1.97 -0.14 -1.26 0.25 119.74 119.66 1qfy s LYS 516 Ca 0.15 -0.73 -0.22 0.00 -1.36 0.00 0.00 55.97 53.81 1qfy s LYS 516 Cb 0.19 -2.80 -0.08 0.00 -1.68 0.00 0.00 37.83 33.45 1qfy s LYS 516 CO 0.59 0.51 1.91 1.04 -0.76 0.00 0.00 175.35 178.65 1qfy n GLN 517 N -0.35 1.80 -0.03 1.68 6.02 0.23 -4.59 117.38 122.13 1qfy n GLN 517 Ca -0.08 -2.46 0.01 0.00 -0.01 0.00 0.00 57.00 54.47 1qfy n GLN 517 Cb 0.54 -3.55 0.03 0.00 1.02 0.00 0.00 30.24 28.28 1qfy n GLN 517 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1qfy n ASP 518 N 12.33 1.99 -4.66 1.08 5.75 -1.26 -4.75 116.55 127.03 1qfy n ASP 518 Ca 0.46 -1.80 -0.42 0.00 -0.01 0.00 0.00 54.79 53.02 1qfy n ASP 518 Cb 0.45 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.47 1qfy n ASP 518 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1qfy s GLU 519 N -0.82 4.08 -1.34 0.11 0.41 -1.26 -2.00 118.70 117.87 1qfy s GLU 519 Ca 0.05 2.40 -0.01 0.00 -0.41 0.00 0.00 54.97 56.99 1qfy s GLU 519 Cb 0.03 -4.11 0.00 0.00 -1.78 0.00 0.00 34.13 28.26 1qfy s GLU 519 CO 0.03 -1.01 0.14 0.09 -0.49 0.00 0.00 175.26 174.03 1qfy n ASN 520 N 7.70 -4.93 -4.71 -0.19 3.02 -1.26 -4.96 115.26 109.93 1qfy n ASN 520 Ca 0.20 -0.08 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 1qfy n ASN 520 Cb 0.42 -3.97 0.02 0.00 -0.61 0.00 0.00 39.78 35.64 1qfy n ASN 520 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qfy n ILE 521 N -4.08 2.83 -4.67 2.41 0.13 -0.85 -5.02 119.36 110.11 1qfy n ILE 521 Ca -0.16 -0.50 -0.32 0.00 -1.10 0.00 0.00 62.75 60.66 1qfy n ILE 521 Cb 0.63 -1.57 -0.17 0.00 -0.84 0.00 0.00 39.64 37.69 1qfy n ILE 521 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1qfy s VAL 522 N -1.23 2.05 -0.02 9.51 1.01 -1.26 -5.12 120.40 125.34 1qfy s VAL 522 Ca 0.63 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1qfy s VAL 522 Cb -0.48 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1qfy s VAL 522 CO 0.56 0.55 -0.08 0.68 0.00 0.00 0.00 175.10 176.81 1qfy s VAL 523 N 0.81 0.65 -1.16 2.92 -7.23 -1.26 -4.52 120.40 110.61 1qfy s VAL 523 Ca -0.07 -0.30 -0.02 0.00 -1.81 0.00 0.00 61.98 59.78 1qfy s VAL 523 Cb -0.16 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.21 1qfy s VAL 523 CO -0.02 0.20 0.98 0.59 -0.31 0.00 0.00 175.10 176.54 1qfy n ASN 524 N 3.23 -3.08 -0.03 4.85 4.13 0.67 -4.90 115.26 120.12 1qfy n ASN 524 Ca -0.17 -0.56 -0.16 0.00 1.68 0.00 0.00 54.58 55.37 1qfy n ASN 524 Cb 0.55 -4.79 -0.07 0.00 -1.54 0.00 0.00 39.78 33.92 1qfy n ASN 524 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1qfy h LYS 525 N -1.97 0.68 -5.18 3.52 3.64 -1.47 -3.43 116.57 112.37 1qfy h LYS 525 Ca -0.54 -0.54 -0.65 0.00 -1.27 0.00 0.00 60.65 57.65 1qfy h LYS 525 Cb 1.32 0.10 -0.24 0.00 -0.41 0.00 0.00 32.23 33.01 1qfy h LYS 525 CO 0.48 1.15 -0.69 -0.06 -2.27 0.00 0.00 179.45 178.07 1qfy s PHE 526 N -3.77 2.99 0.18 1.91 0.08 -0.56 -4.95 117.98 113.86 1qfy s PHE 526 Ca -0.11 -0.51 0.04 0.00 0.12 0.00 0.00 56.93 56.46 1qfy s PHE 526 Cb 0.07 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 1qfy s PHE 526 CO 0.87 -0.23 0.26 0.15 -0.10 0.00 0.00 175.22 176.17 1qfy s LYS 527 N 0.80 3.26 0.64 0.44 3.01 -1.25 -0.29 119.74 126.34 1qfy s LYS 527 Ca -0.01 -0.74 0.40 0.00 -1.01 0.00 0.00 55.97 54.61 1qfy s LYS 527 Cb -0.14 -2.84 2.18 0.00 -1.01 0.00 0.00 37.83 36.02 1qfy s LYS 527 CO 0.02 0.48 2.31 -1.00 0.51 0.00 0.00 175.35 177.67 1qfy h PRO 528 N 1.96 0.00 -0.30 -1.68 0.13 -1.99 -1.77 132.00 128.35 1qfy h PRO 528 Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 1qfy h PRO 528 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1qfy h PRO 528 CO 0.65 0.01 -0.53 0.87 -0.23 0.00 0.00 178.00 178.77 1qfy h LYS 529 N 0.00 0.88 -2.54 0.86 6.56 -2.01 -3.37 116.57 116.95 1qfy h LYS 529 Ca -0.00 -0.55 -0.60 0.00 -1.06 0.00 0.00 60.65 58.44 1qfy h LYS 529 Cb 0.05 0.06 -0.40 0.00 -0.57 0.00 0.00 32.23 31.37 1qfy h LYS 529 CO 0.00 1.19 -0.84 0.39 -2.06 0.00 0.00 179.45 178.13 1qfy n GLU 530 N -4.01 0.90 -1.89 3.15 4.71 -0.72 -5.13 120.64 117.64 1qfy n GLU 530 Ca -0.04 -3.69 -0.30 0.00 -0.01 0.00 0.00 57.16 53.12 1qfy n GLU 530 Cb 0.62 -1.86 0.06 0.00 -1.01 0.00 0.00 31.44 29.25 1qfy n GLU 530 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1qfy s PRO 531 N -0.71 2.66 -0.05 3.49 0.04 -0.84 -3.89 135.00 135.71 1qfy s PRO 531 Ca 0.31 0.38 -0.25 0.00 0.04 0.00 0.00 61.00 61.48 1qfy s PRO 531 Cb 0.03 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 1qfy s PRO 531 CO -0.17 -1.16 0.79 -0.47 0.04 0.00 0.00 177.00 176.03 1qfy s TYR 532 N -3.40 3.60 -0.42 0.56 5.04 -0.33 -4.85 117.35 117.54 1qfy s TYR 532 Ca 0.59 1.38 -0.16 0.00 -2.44 0.00 0.00 57.07 56.44 1qfy s TYR 532 Cb -0.11 -2.90 0.02 0.00 0.35 0.00 0.00 41.96 39.32 1qfy s TYR 532 CO 0.51 0.05 0.38 0.08 -1.34 0.00 0.00 175.55 175.23 1qfy s VAL 533 N 0.91 5.16 0.34 3.14 1.01 -1.26 -0.52 120.40 129.17 1qfy s VAL 533 Ca 0.42 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1qfy s VAL 533 Cb -0.19 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.24 1qfy s VAL 533 CO 0.21 -0.39 0.34 0.61 0.00 0.00 0.00 175.10 175.88 1qfy n GLY 534 N 5.13 2.49 3.16 4.51 0.00 -0.11 -4.91 105.19 115.46 1qfy n GLY 534 Ca -0.09 -2.22 -0.17 0.00 0.00 0.00 0.00 46.02 43.54 1qfy n GLY 534 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qfy s ARG 535 N -3.45 0.79 -0.07 1.61 0.52 -1.25 -0.95 118.95 116.16 1qfy s ARG 535 Ca 0.26 -0.97 -0.30 0.00 -0.52 0.00 0.00 55.73 54.21 1qfy s ARG 535 Cb -0.02 -0.73 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 1qfy s ARG 535 CO 0.17 0.15 1.13 0.00 0.02 0.00 0.00 175.30 176.77 1qfy n LEU 537 N 5.11 0.86 -3.60 0.00 4.77 0.83 0.45 117.00 125.42 1qfy n LEU 537 Ca 0.10 -0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.88 1qfy n LEU 537 Cb 0.47 0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1qfy n LEU 537 CO 0.54 0.61 0.31 -0.22 -1.33 0.00 0.00 177.39 177.30 1qfy s LEU 538 N -5.74 -0.20 -0.23 2.23 0.20 -1.20 -4.80 118.68 108.95 1qfy s LEU 538 Ca -0.17 0.60 -0.07 0.00 0.69 0.00 0.00 54.13 55.18 1qfy s LEU 538 Cb 0.07 2.13 0.11 0.00 -0.43 0.00 0.00 46.19 48.06 1qfy s LEU 538 CO 0.74 -0.52 0.48 0.21 -0.29 0.00 0.00 176.35 176.97 1qfy s ASN 539 N -1.06 -0.47 0.02 3.68 2.47 -1.26 -1.90 114.94 116.42 1qfy s ASN 539 Ca -0.10 1.05 0.01 0.00 0.42 0.00 0.00 52.86 54.23 1qfy s ASN 539 Cb -0.02 1.59 -0.01 0.00 -1.45 0.00 0.00 41.25 41.36 1qfy s ASN 539 CO 0.07 -0.24 -0.04 -0.89 -3.72 0.00 0.00 177.10 172.29 1qfy s THR 540 N 2.69 0.24 -0.18 -5.21 2.01 -0.47 -5.00 115.64 109.71 1qfy s THR 540 Ca -0.00 -0.67 -0.25 0.00 0.31 0.00 0.00 61.69 61.08 1qfy s THR 540 Cb -0.12 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 1qfy s THR 540 CO -0.15 -0.28 0.84 -0.75 -0.69 0.00 0.00 174.62 173.59 1qfy s LYS 541 N -1.00 4.28 0.00 4.92 2.20 -1.26 -0.38 119.74 128.50 1qfy s LYS 541 Ca -0.09 1.01 0.24 0.00 -0.36 0.00 0.00 55.97 56.77 1qfy s LYS 541 Cb -0.07 -3.59 0.37 0.00 -1.51 0.00 0.00 37.83 33.03 1qfy s LYS 541 CO -0.00 -0.36 1.36 0.44 -0.36 0.00 0.00 175.35 176.43 1qfy n ILE 542 N 4.83 0.23 -4.08 5.43 -5.35 0.12 -4.94 119.36 115.60 1qfy n ILE 542 Ca 0.05 -0.59 -0.22 0.00 -0.27 0.00 0.00 62.75 61.72 1qfy n ILE 542 Cb 0.48 1.17 -0.04 0.00 -1.74 0.00 0.00 39.64 39.51 1qfy n ILE 542 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1qfy s THR 543 N -1.77 4.64 0.61 7.28 -4.23 -1.24 -4.88 115.64 116.05 1qfy s THR 543 Ca 0.34 -1.30 -0.14 0.00 -1.18 0.00 0.00 61.69 59.40 1qfy s THR 543 Cb 0.21 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1qfy s THR 543 CO 0.31 -0.34 1.04 -0.83 -0.54 0.00 0.00 174.62 174.26 1qfy s GLY 544 N -3.86 1.94 0.48 3.99 0.00 0.52 -4.96 107.32 105.43 1qfy s GLY 544 Ca 0.33 0.22 0.16 0.00 0.00 0.00 0.00 44.72 45.43 1qfy s GLY 544 CO 0.26 0.53 2.06 -0.55 0.00 0.00 0.00 173.10 175.39 1qfy h ASP 545 N 0.12 0.18 -0.05 1.64 5.19 -1.95 -1.79 116.42 119.75 1qfy h ASP 545 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1qfy h ASP 545 Cb 1.21 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.68 1qfy h ASP 545 CO 0.58 0.12 0.00 0.47 -3.12 0.00 0.00 179.24 177.29 1qfy n ASP 546 N -4.48 0.75 -4.77 6.45 9.92 -1.26 -4.91 116.55 118.26 1qfy n ASP 546 Ca 0.04 -1.41 -0.40 0.00 -0.53 0.00 0.00 54.79 52.49 1qfy n ASP 546 Cb 0.27 -0.03 -0.03 0.00 -0.64 0.00 0.00 41.12 40.69 1qfy n ASP 546 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qfy s ALA 547 N -1.95 3.38 0.64 2.24 0.00 -0.68 -4.91 121.76 120.50 1qfy s ALA 547 Ca 0.36 1.06 0.27 0.00 0.00 0.00 0.00 51.96 53.65 1qfy s ALA 547 Cb 0.18 -3.40 1.44 0.00 0.00 0.00 0.00 23.12 21.34 1qfy s ALA 547 CO 0.29 -0.44 1.82 -1.00 0.00 0.00 0.00 175.76 176.44 1qfy h PRO 548 N 3.36 0.00 0.00 0.00 0.13 -1.91 -3.44 132.00 130.15 1qfy h PRO 548 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1qfy h PRO 548 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1qfy h PRO 548 CO 0.65 0.00 -0.01 0.41 -0.23 0.00 0.00 178.00 178.83 1qfy n GLY 549 N -1.33 2.81 3.20 1.56 0.00 -1.26 -5.14 105.19 105.02 1qfy n GLY 549 Ca 0.02 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 1qfy n GLY 549 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qfy s GLU 550 N -2.07 2.29 -0.07 1.61 2.02 -1.26 -4.90 118.70 116.31 1qfy s GLU 550 Ca 0.03 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.28 1qfy s GLU 550 Cb -0.00 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.32 1qfy s GLU 550 CO 0.02 0.28 -0.15 0.99 0.02 0.00 0.00 175.26 176.42 1qfy s THR 551 N 0.03 1.37 0.03 3.63 2.01 -1.26 -0.75 115.64 120.70 1qfy s THR 551 Ca -0.06 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.40 1qfy s THR 551 Cb -0.14 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1qfy s THR 551 CO 0.04 0.41 -0.25 0.26 -0.69 0.00 0.00 174.62 174.39 1qfy s TRP 552 N 0.58 2.36 -0.18 4.92 0.52 0.51 -0.70 118.94 126.95 1qfy s TRP 552 Ca -0.16 -0.39 -0.04 0.00 0.02 0.00 0.00 56.10 55.53 1qfy s TRP 552 Cb -0.16 -1.43 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1qfy s TRP 552 CO 0.05 0.11 -0.03 -1.58 0.02 0.00 0.00 176.95 175.52 1qfy s HIS 553 N -0.78 3.01 0.03 -1.98 2.46 0.49 -0.53 115.29 117.99 1qfy s HIS 553 Ca 0.12 -0.46 0.03 0.00 0.47 0.00 0.00 55.06 55.22 1qfy s HIS 553 Cb -0.10 -2.02 -0.02 0.00 -0.13 0.00 0.00 32.58 30.31 1qfy s HIS 553 CO 0.02 -0.20 -0.10 0.00 -2.47 0.00 0.00 174.74 171.99 1qfy s MET 554 N 0.77 0.70 -0.12 2.88 0.23 -0.80 -1.37 119.30 121.59 1qfy s MET 554 Ca -0.01 -0.66 0.02 0.00 -1.03 0.00 0.00 55.69 54.02 1qfy s MET 554 Cb -0.14 -0.63 -0.00 0.00 -1.53 0.00 0.00 34.83 32.53 1qfy s MET 554 CO 0.02 0.15 -0.20 0.08 -2.03 0.00 0.00 175.02 173.04 1qfy s VAL 555 N -0.90 2.34 0.06 5.16 1.01 -0.80 -1.96 120.40 125.31 1qfy s VAL 555 Ca -0.02 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.14 1qfy s VAL 555 Cb -0.08 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1qfy s VAL 555 CO 0.01 0.54 -0.25 -0.36 0.00 0.00 0.00 175.10 175.04 1qfy s PHE 556 N 0.51 2.35 0.32 5.22 0.08 -0.30 -0.12 117.98 126.05 1qfy s PHE 556 Ca -0.13 -0.38 -0.27 0.00 0.12 0.00 0.00 56.93 56.27 1qfy s PHE 556 Cb -0.17 -1.37 -0.09 0.00 -0.57 0.00 0.00 43.02 40.82 1qfy s PHE 556 CO 0.05 0.19 0.99 -1.54 -0.10 0.00 0.00 175.22 174.81 1qfy s SER 557 N -1.46 7.28 0.00 1.36 1.04 -0.29 -1.92 113.70 119.71 1qfy s SER 557 Ca 0.13 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.51 1qfy s SER 557 Cb -0.10 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1qfy s SER 557 CO 0.03 -0.12 0.04 0.35 0.98 0.00 0.00 173.24 174.52 1qfy n THR 558 N 0.70 0.00 -1.48 2.02 -2.24 -0.61 -3.77 114.28 108.90 1qfy n THR 558 Ca 0.01 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 1qfy n THR 558 Cb 0.49 1.29 -0.07 0.00 -2.10 0.00 0.00 70.33 69.93 1qfy n THR 558 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qfy n GLU 559 N -0.13 -1.42 -1.17 -0.78 1.02 -1.20 -0.14 120.64 116.82 1qfy n GLU 559 Ca 0.00 1.01 -0.06 0.00 -0.02 0.00 0.00 57.16 58.09 1qfy n GLU 559 Cb 0.07 -5.33 -0.03 0.00 -0.02 0.00 0.00 31.44 26.13 1qfy n GLU 559 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qfy n GLY 560 N -0.27 0.80 0.14 0.62 0.00 -1.26 -4.92 105.19 100.30 1qfy n GLY 560 Ca -0.17 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.49 1qfy n GLY 560 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qfy h GLU 561 N 0.20 0.00 -4.11 1.61 3.07 -0.87 -3.41 114.58 111.07 1qfy h GLU 561 Ca -0.12 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 57.99 1qfy h GLU 561 Cb 0.54 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 28.18 1qfy h GLU 561 CO 0.18 0.37 -0.24 0.08 -1.40 0.00 0.00 179.01 177.99 1qfy s VAL 562 N -3.01 4.86 -0.46 3.13 1.01 -1.26 -4.99 120.40 119.67 1qfy s VAL 562 Ca 0.03 -1.78 -0.04 0.00 0.00 0.00 0.00 61.98 60.19 1qfy s VAL 562 Cb 0.08 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1qfy s VAL 562 CO 0.75 -0.86 2.04 -0.81 0.00 0.00 0.00 175.10 176.23 1qfy n PRO 563 N 4.90 1.50 -2.16 2.72 -0.04 -1.26 -4.95 135.00 135.71 1qfy n PRO 563 Ca -0.08 -0.98 -0.27 0.00 -0.04 0.00 0.00 63.50 62.13 1qfy n PRO 563 Cb 0.41 -2.12 0.06 0.00 -0.04 0.00 0.00 33.50 31.81 1qfy n PRO 563 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1qfy s TYR 564 N 2.85 3.09 0.20 0.54 -0.85 -1.26 -4.51 117.35 117.42 1qfy s TYR 564 Ca 0.35 0.65 -0.05 0.00 -0.52 0.00 0.00 57.07 57.50 1qfy s TYR 564 Cb 0.12 -3.08 -0.03 0.00 0.38 0.00 0.00 41.96 39.35 1qfy s TYR 564 CO -0.02 -1.25 0.23 -0.98 -1.52 0.00 0.00 175.55 172.02 1qfy s ARG 565 N -5.24 1.27 -0.00 -3.49 1.70 -1.26 -4.74 118.95 107.18 1qfy s ARG 565 Ca 0.58 -1.46 -0.37 0.00 -0.47 0.00 0.00 55.73 54.01 1qfy s ARG 565 Cb -0.11 0.33 -0.16 0.00 -0.57 0.00 0.00 34.95 34.45 1qfy s ARG 565 CO 0.47 -0.45 1.51 0.39 -1.08 0.00 0.00 175.30 176.14 1qfy n GLU 566 N -0.28 1.36 0.00 3.89 4.71 -1.26 -2.39 120.64 126.67 1qfy n GLU 566 Ca -0.01 0.49 0.00 0.00 -0.01 0.00 0.00 57.16 57.64 1qfy n GLU 566 Cb 0.64 -2.18 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 1qfy n GLU 566 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qfy n GLY 567 N 3.19 2.23 3.93 0.62 0.00 -1.26 -4.20 105.19 109.70 1qfy n GLY 567 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1qfy n GLY 567 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qfy s GLN 568 N -0.92 2.33 0.39 1.61 -0.21 -1.01 -4.44 119.66 117.41 1qfy s GLN 568 Ca 0.00 -0.28 0.06 0.00 0.02 0.00 0.00 55.36 55.16 1qfy s GLN 568 Cb 0.00 -2.22 -0.07 0.00 1.00 0.00 0.00 33.01 31.72 1qfy s GLN 568 CO 0.00 -1.11 0.02 -1.12 -2.12 0.00 0.00 175.29 170.96 1qfy s SER 569 N -4.48 3.51 0.04 5.90 0.01 -0.21 -1.82 113.70 116.66 1qfy s SER 569 Ca 0.59 -1.39 0.01 0.00 1.31 0.00 0.00 55.95 56.47 1qfy s SER 569 Cb -0.11 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 1qfy s SER 569 CO 0.44 -0.51 -0.06 0.27 0.41 0.00 0.00 173.24 173.79 1qfy s ILE 570 N -2.87 0.40 0.18 1.44 -4.36 -0.80 -0.51 121.20 114.67 1qfy s ILE 570 Ca 0.34 -1.22 0.02 0.00 -0.26 0.00 0.00 60.65 59.53 1qfy s ILE 570 Cb 0.09 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 43.02 1qfy s ILE 570 CO 0.17 -0.55 0.32 -0.83 0.24 0.00 0.00 174.94 174.28 1qfy s GLY 571 N -1.88 1.62 -0.07 6.27 0.00 -0.75 -1.54 107.32 110.96 1qfy s GLY 571 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1qfy s GLY 571 CO -0.02 -1.03 -0.06 -0.42 0.00 0.00 0.00 173.10 171.57 1qfy s ILE 572 N -1.81 0.74 -0.49 0.90 -1.09 0.06 -1.82 121.20 117.69 1qfy s ILE 572 Ca 0.35 -0.17 -0.16 0.00 -2.23 0.00 0.00 60.65 58.44 1qfy s ILE 572 Cb -0.11 -0.78 0.08 0.00 -1.58 0.00 0.00 42.46 40.07 1qfy s ILE 572 CO 0.29 0.30 0.46 -0.69 -1.23 0.00 0.00 174.94 174.06 1qfy s VAL 573 N 1.36 5.15 0.49 2.92 1.01 -0.96 -1.48 120.40 128.91 1qfy s VAL 573 Ca -0.03 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.73 1qfy s VAL 573 Cb -0.14 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1qfy s VAL 573 CO -0.03 -0.67 1.20 -2.16 0.00 0.00 0.00 175.10 173.44 1qfy s PRO 574 N 1.85 3.56 0.70 2.72 0.04 -1.26 -4.39 135.00 138.21 1qfy s PRO 574 Ca 0.06 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.79 1qfy s PRO 574 Cb -0.24 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.01 1qfy s PRO 574 CO 0.07 -0.74 1.22 -0.51 0.04 0.00 0.00 177.00 177.08 1qfy s ASP 575 N -1.34 4.40 0.00 6.66 1.01 -1.26 -4.45 116.67 121.69 1qfy s ASP 575 Ca 0.67 2.40 0.00 0.00 0.71 0.00 0.00 52.55 56.33 1qfy s ASP 575 Cb -0.30 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.03 1qfy s ASP 575 CO 0.36 -2.13 0.00 0.61 0.21 0.00 0.00 175.17 174.22 1qfy n GLY 576 N 0.48 -0.55 2.95 0.21 0.00 -1.26 -4.95 105.19 102.07 1qfy n GLY 576 Ca 0.14 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 1qfy n GLY 576 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qfy s ILE 577 N 0.00 0.19 0.58 -0.61 1.10 -1.26 -4.08 121.20 117.12 1qfy s ILE 577 Ca 0.00 -0.53 -0.08 0.00 -0.51 0.00 0.00 60.65 59.53 1qfy s ILE 577 Cb 0.00 -0.25 0.13 0.00 0.15 0.00 0.00 42.46 42.49 1qfy s ILE 577 CO 0.00 -0.22 0.79 -0.90 -2.11 0.00 0.00 174.94 172.50 1qfy n ASP 578 N 2.27 0.26 0.07 4.50 5.68 0.10 -4.87 116.55 124.57 1qfy n ASP 578 Ca -0.18 -1.41 0.19 0.00 -0.50 0.00 0.00 54.79 52.90 1qfy n ASP 578 Cb 0.57 -0.58 0.74 0.00 -1.14 0.00 0.00 41.12 40.70 1qfy n ASP 578 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1qfy h LYS 579 N 0.00 0.00 -0.64 0.11 2.10 -2.02 -1.00 116.57 115.12 1qfy h LYS 579 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1qfy h LYS 579 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1qfy h LYS 579 CO 0.20 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.74 1qfy n ASN 580 N -4.06 4.69 -1.35 7.07 5.03 -1.26 -4.92 115.26 120.46 1qfy n ASN 580 Ca 0.07 -2.59 -0.15 0.00 0.87 0.00 0.00 54.58 52.78 1qfy n ASN 580 Cb 0.54 -0.60 -0.04 0.00 -1.02 0.00 0.00 39.78 38.66 1qfy n ASN 580 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qfy n GLY 581 N 0.81 0.76 3.73 7.41 0.00 -0.38 -5.01 105.19 112.51 1qfy n GLY 581 Ca 0.24 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1qfy n GLY 581 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qfy s LYS 582 N -3.88 2.94 0.55 1.61 -0.14 -1.26 -4.82 119.74 114.75 1qfy s LYS 582 Ca 0.00 -0.53 -0.20 0.00 -1.36 0.00 0.00 55.97 53.88 1qfy s LYS 582 Cb 0.00 -2.77 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 1qfy s LYS 582 CO 0.00 0.65 1.21 -1.25 -0.76 0.00 0.00 175.35 175.19 1qfy s PRO 583 N -1.55 3.23 0.57 -1.68 0.04 -1.26 0.02 135.00 134.37 1qfy s PRO 583 Ca 0.20 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 62.88 1qfy s PRO 583 Cb -0.12 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1qfy s PRO 583 CO 0.11 -1.01 1.30 -1.01 0.04 0.00 0.00 177.00 176.43 1qfy s HIS 584 N -1.57 2.31 0.49 0.56 3.76 -1.26 -4.79 115.29 114.79 1qfy s HIS 584 Ca 0.73 1.43 -0.19 0.00 -0.15 0.00 0.00 55.06 56.89 1qfy s HIS 584 Cb -0.30 -3.69 -0.09 0.00 1.11 0.00 0.00 32.58 29.61 1qfy s HIS 584 CO 0.34 -2.67 0.98 0.21 -0.85 0.00 0.00 174.74 172.76 1qfy s LYS 585 N -3.05 3.98 0.65 1.40 2.47 -1.26 -4.75 119.74 119.18 1qfy s LYS 585 Ca 0.74 1.09 -0.15 0.00 -1.56 0.00 0.00 55.97 56.09 1qfy s LYS 585 Cb -0.37 -2.14 -0.01 0.00 -1.46 0.00 0.00 37.83 33.85 1qfy s LYS 585 CO 0.42 -0.24 1.10 -0.48 0.16 0.00 0.00 175.35 176.31 1qfy s LEU 586 N -3.69 3.40 -0.02 5.43 0.05 -1.26 -4.63 118.68 117.96 1qfy s LEU 586 Ca 0.62 1.95 0.05 0.00 0.05 0.00 0.00 54.13 56.80 1qfy s LEU 586 Cb -0.11 -4.55 -0.01 0.00 -2.05 0.00 0.00 46.19 39.47 1qfy s LEU 586 CO 0.23 -1.54 -0.18 -0.13 -0.55 0.00 0.00 176.35 174.19 1qfy s ARG 587 N -4.12 1.51 0.38 1.48 3.00 -0.55 -4.89 118.95 115.76 1qfy s ARG 587 Ca 0.66 -0.63 -0.12 0.00 0.00 0.00 0.00 55.73 55.64 1qfy s ARG 587 Cb -0.19 -1.43 -0.07 0.00 0.00 0.00 0.00 34.95 33.26 1qfy s ARG 587 CO 0.41 0.35 0.77 -0.51 0.00 0.00 0.00 175.30 176.32 1qfy s LEU 588 N -0.32 3.91 -0.18 2.53 1.43 -1.26 -0.76 118.68 124.03 1qfy s LEU 588 Ca 0.05 1.21 -0.08 0.00 -1.03 0.00 0.00 54.13 54.27 1qfy s LEU 588 Cb -0.08 -4.06 0.07 0.00 0.03 0.00 0.00 46.19 42.15 1qfy s LEU 588 CO -0.00 -0.33 0.41 -0.31 0.23 0.00 0.00 176.35 176.34 1qfy s TYR 589 N -2.23 -0.66 0.31 0.29 2.02 -0.59 -4.96 117.35 111.52 1qfy s TYR 589 Ca 0.53 1.36 -0.29 0.00 -0.37 0.00 0.00 57.07 58.29 1qfy s TYR 589 Cb -0.10 0.27 -0.10 0.00 -0.40 0.00 0.00 41.96 41.62 1qfy s TYR 589 CO 0.26 -0.39 1.35 -1.12 -1.57 0.00 0.00 175.55 174.08 1qfy s SER 590 N 1.86 6.71 -0.08 2.29 0.01 -1.26 -1.91 113.70 121.33 1qfy s SER 590 Ca -0.06 2.70 -0.30 0.00 1.31 0.00 0.00 55.95 59.60 1qfy s SER 590 Cb -0.10 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 1qfy s SER 590 CO -0.13 -0.60 1.35 -0.63 0.41 0.00 0.00 173.24 173.64 1qfy s ILE 591 N -0.79 4.00 -1.36 1.44 1.01 -0.76 -4.51 121.20 120.23 1qfy s ILE 591 Ca 0.52 1.29 0.29 0.00 0.00 0.00 0.00 60.65 62.74 1qfy s ILE 591 Cb -0.41 -3.83 0.36 0.00 0.01 0.00 0.00 42.46 38.60 1qfy s ILE 591 CO 0.51 -0.06 1.87 0.00 0.00 0.00 0.00 174.94 177.26 1qfy n ALA 592 N 6.05 2.68 -2.68 9.38 0.00 -0.08 -3.95 120.51 131.91 1qfy n ALA 592 Ca 0.14 -0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 1qfy n ALA 592 Cb 0.44 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 1qfy n ALA 592 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qfy s SER 593 N -2.69 4.80 0.87 0.00 1.04 -1.25 -3.60 113.70 112.87 1qfy s SER 593 Ca 0.23 -0.44 -0.12 0.00 0.48 0.00 0.00 55.95 56.10 1qfy s SER 593 Cb 0.20 -1.02 0.11 0.00 0.10 0.00 0.00 66.02 65.41 1qfy s SER 593 CO 0.51 0.05 1.10 -0.94 0.98 0.00 0.00 173.24 174.95 1qfy s SER 594 N -3.25 3.81 0.37 7.02 1.04 -1.26 -4.64 113.70 116.79 1qfy s SER 594 Ca 0.29 1.26 0.14 0.00 0.48 0.00 0.00 55.95 58.12 1qfy s SER 594 Cb -0.08 -1.94 0.97 0.00 0.10 0.00 0.00 66.02 65.06 1qfy s SER 594 CO 0.20 -2.40 1.79 0.00 0.98 0.00 0.00 173.24 173.81 1qfy h ALA 595 N -1.38 2.02 0.00 5.32 0.00 -1.88 0.31 119.26 123.64 1qfy h ALA 595 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1qfy h ALA 595 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1qfy h ALA 595 CO 0.58 -0.39 0.00 0.44 0.00 0.00 0.00 179.25 179.88 1qfy n ILE 596 N -4.66 0.21 0.00 0.00 -5.35 -1.26 -4.74 119.36 103.56 1qfy n ILE 596 Ca 0.23 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.71 1qfy n ILE 596 Cb 0.73 -0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 1qfy n ILE 596 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qfy n GLY 597 N 1.27 -2.11 0.31 3.28 0.00 0.11 -0.73 105.19 107.32 1qfy n GLY 597 Ca 0.06 -1.49 0.21 0.00 0.00 0.00 0.00 46.02 44.80 1qfy n GLY 597 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qfy h ASP 598 N 0.00 0.00 -0.02 1.61 3.32 -1.89 -1.86 116.42 117.58 1qfy h ASP 598 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qfy h ASP 598 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qfy h ASP 598 CO 0.00 0.00 -0.14 0.49 -1.72 0.00 0.00 179.24 177.87 1qfy n PHE 599 N -2.98 0.00 -0.99 4.55 3.01 -1.26 -4.99 117.46 114.80 1qfy n PHE 599 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1qfy n PHE 599 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1qfy n PHE 599 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qfy n GLY 600 N 1.24 0.20 0.85 1.37 0.00 -0.70 -4.86 105.19 103.29 1qfy n GLY 600 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1qfy n GLY 600 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qfy n ASP 601 N -0.59 2.87 -2.35 1.61 5.68 -1.21 -4.96 116.55 117.61 1qfy n ASP 601 Ca 0.00 -1.85 -0.21 0.00 -0.50 0.00 0.00 54.79 52.23 1qfy n ASP 601 Cb 0.30 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.15 1qfy n ASP 601 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1qfy n SER 602 N 1.11 -5.91 -0.43 -1.12 7.64 0.09 -4.88 113.62 110.12 1qfy n SER 602 Ca 0.14 0.01 0.05 0.00 1.01 0.00 0.00 58.87 60.07 1qfy n SER 602 Cb 0.50 -4.93 0.08 0.00 -1.01 0.00 0.00 64.21 58.85 1qfy n SER 602 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1qfy n LYS 603 N -2.98 0.66 -4.22 1.43 5.02 -1.26 -3.98 118.16 112.82 1qfy n LYS 603 Ca -0.25 -1.94 -0.14 0.00 -2.02 0.00 0.00 58.31 53.97 1qfy n LYS 603 Cb 0.69 -0.95 -0.10 0.00 -0.02 0.00 0.00 35.03 34.65 1qfy n LYS 603 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qfy s THR 604 N -1.45 0.00 -0.10 -0.18 -4.23 -1.26 -1.57 115.64 106.86 1qfy s THR 604 Ca 0.19 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.59 1qfy s THR 604 Cb 0.18 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.55 1qfy s THR 604 CO -0.01 0.00 0.30 0.54 -0.54 0.00 0.00 174.62 174.91 1qfy s VAL 605 N -3.97 0.01 0.13 2.29 0.11 -0.81 -4.64 120.40 113.52 1qfy s VAL 605 Ca 0.39 -0.08 0.08 0.00 -2.93 0.00 0.00 61.98 59.44 1qfy s VAL 605 Cb 0.06 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1qfy s VAL 605 CO 0.16 -0.05 -0.20 -0.44 -3.33 0.00 0.00 175.10 171.25 1qfy s SER 606 N -0.08 2.57 0.12 3.54 0.01 -1.26 -1.15 113.70 117.46 1qfy s SER 606 Ca -0.02 -0.76 0.05 0.00 1.31 0.00 0.00 55.95 56.53 1qfy s SER 606 Cb -0.03 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 1qfy s SER 606 CO 0.01 0.01 -0.12 -0.76 0.41 0.00 0.00 173.24 172.79 1qfy s LEU 607 N -2.23 2.44 -0.36 2.44 1.43 -0.83 -0.90 118.68 120.66 1qfy s LEU 607 Ca 0.10 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1qfy s LEU 607 Cb -0.08 -0.45 0.11 0.00 0.03 0.00 0.00 46.19 45.79 1qfy s LEU 607 CO 0.05 -0.21 0.09 0.00 0.23 0.00 0.00 176.35 176.51 1qfy s VAL 609 N 0.84 3.56 -0.19 0.00 1.01 0.31 -4.88 120.40 121.06 1qfy s VAL 609 Ca 0.12 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1qfy s VAL 609 Cb -0.20 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1qfy s VAL 609 CO -0.10 0.50 0.62 -0.75 0.00 0.00 0.00 175.10 175.38 1qfy s LYS 610 N 0.41 4.22 -0.34 2.72 2.47 -1.26 -0.36 119.74 127.59 1qfy s LYS 610 Ca -0.06 0.61 -0.29 0.00 -1.56 0.00 0.00 55.97 54.67 1qfy s LYS 610 Cb -0.15 -3.57 -0.00 0.00 -1.46 0.00 0.00 37.83 32.65 1qfy s LYS 610 CO 0.04 -0.22 1.51 0.50 0.16 0.00 0.00 175.35 177.34 1qfy s ARG 611 N 1.84 3.62 -0.33 4.03 3.52 0.07 -4.83 118.95 126.87 1qfy s ARG 611 Ca 0.29 1.23 -0.29 0.00 -0.13 0.00 0.00 55.73 56.82 1qfy s ARG 611 Cb -0.16 -4.04 0.01 0.00 -1.56 0.00 0.00 34.95 29.21 1qfy s ARG 611 CO 0.11 -1.50 1.17 -1.17 -0.81 0.00 0.00 175.30 173.09 1qfy s LEU 612 N 5.51 3.87 -0.02 -0.88 2.96 -1.26 -4.61 118.68 124.25 1qfy s LEU 612 Ca 0.66 1.04 -0.02 0.00 -0.22 0.00 0.00 54.13 55.59 1qfy s LEU 612 Cb -0.18 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 42.98 1qfy s LEU 612 CO 0.31 -1.00 0.06 -0.69 -1.32 0.00 0.00 176.35 173.70 1qfy s VAL 613 N 4.03 -0.01 0.21 1.68 1.01 -1.26 -0.13 120.40 125.93 1qfy s VAL 613 Ca 0.50 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.31 1qfy s VAL 613 Cb -0.13 -0.10 0.06 0.00 0.00 0.00 0.00 36.38 36.21 1qfy s VAL 613 CO 0.20 0.02 0.94 -0.72 0.00 0.00 0.00 175.10 175.54 1qfy s TYR 614 N 0.30 -0.02 -0.14 5.22 -0.85 0.05 -4.97 117.35 116.94 1qfy s TYR 614 Ca -0.02 -0.39 0.01 0.00 -0.52 0.00 0.00 57.07 56.15 1qfy s TYR 614 Cb -0.03 0.70 -0.00 0.00 0.38 0.00 0.00 41.96 43.00 1qfy s TYR 614 CO -0.01 -1.02 -0.17 0.95 -1.52 0.00 0.00 175.55 173.78 1qfy s THR 615 N -2.80 2.56 1.21 -3.49 -4.23 -1.26 0.23 115.64 107.86 1qfy s THR 615 Ca 0.16 -0.82 -0.20 0.00 -1.18 0.00 0.00 61.69 59.65 1qfy s THR 615 Cb -0.03 -2.06 0.29 0.00 1.34 0.00 0.00 72.50 72.05 1qfy s THR 615 CO 0.05 0.53 1.12 0.54 -0.54 0.00 0.00 174.62 176.32 1qfy s ASN 616 N 0.63 0.90 0.43 3.99 2.20 -0.73 -4.84 114.94 117.52 1qfy s ASN 616 Ca -0.09 0.57 0.09 0.00 -0.94 0.00 0.00 52.86 52.49 1qfy s ASN 616 Cb -0.16 -0.77 0.95 0.00 -2.00 0.00 0.00 41.25 39.27 1qfy s ASN 616 CO 0.03 -4.13 2.08 -2.24 -2.94 0.00 0.00 177.10 169.89 1qfy h ASP 617 N -2.59 0.37 0.40 3.54 3.04 -2.00 -1.18 116.42 118.01 1qfy h ASP 617 Ca -0.44 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1qfy h ASP 617 Cb 1.29 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 1qfy h ASP 617 CO 0.32 0.27 0.00 0.00 -2.04 0.00 0.00 179.24 177.79 1qfy n ALA 618 N -2.49 2.36 -0.24 4.15 0.00 -1.26 -4.91 120.51 118.12 1qfy n ALA 618 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1qfy n ALA 618 Cb 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1qfy n ALA 618 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qfy n GLY 619 N 0.92 0.65 3.70 0.00 0.00 -0.44 -5.07 105.19 104.94 1qfy n GLY 619 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1qfy n GLY 619 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qfy s GLU 620 N -0.76 4.36 0.04 1.61 2.02 -1.26 -4.75 118.70 119.97 1qfy s GLU 620 Ca 0.00 0.72 -0.30 0.00 0.02 0.00 0.00 54.97 55.41 1qfy s GLU 620 Cb 0.00 -3.48 -0.07 0.00 0.10 0.00 0.00 34.13 30.68 1qfy s GLU 620 CO 0.00 0.01 1.58 0.54 0.02 0.00 0.00 175.26 177.41 1qfy s VAL 621 N 1.04 3.26 -0.09 2.63 0.11 -1.26 -1.77 120.40 124.33 1qfy s VAL 621 Ca 0.33 0.68 0.02 0.00 -2.93 0.00 0.00 61.98 60.07 1qfy s VAL 621 Cb -0.17 -3.43 -0.02 0.00 -1.53 0.00 0.00 36.38 31.23 1qfy s VAL 621 CO 0.14 -0.00 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.09 1qfy s VAL 622 N 2.61 3.16 -0.18 2.04 1.01 0.63 -4.93 120.40 124.74 1qfy s VAL 622 Ca 0.71 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1qfy s VAL 622 Cb -0.37 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1qfy s VAL 622 CO 0.30 0.56 0.01 -0.54 0.00 0.00 0.00 175.10 175.44 1qfy s LYS 623 N -0.30 3.76 0.25 2.72 -0.14 -1.26 -0.77 119.74 124.00 1qfy s LYS 623 Ca 0.03 -0.46 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 1qfy s LYS 623 Cb -0.13 -3.07 -0.10 0.00 -1.68 0.00 0.00 37.83 32.86 1qfy s LYS 623 CO 0.03 0.18 1.34 0.20 -0.76 0.00 0.00 175.35 176.33 1qfy s GLY 624 N 0.58 2.56 0.01 -3.33 0.00 0.81 -4.97 107.32 102.99 1qfy s GLY 624 Ca -0.00 1.20 -0.04 0.00 0.00 0.00 0.00 44.72 45.88 1qfy s GLY 624 CO 0.02 2.07 1.06 -2.08 0.00 0.00 0.00 173.10 174.18 1qfy h VAL 625 N 3.49 0.00 -0.48 1.40 2.07 -1.98 -2.92 116.25 117.83 1qfy h VAL 625 Ca -0.46 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1qfy h VAL 625 Cb 1.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1qfy h VAL 625 CO 0.74 0.00 0.22 0.00 0.02 0.00 0.00 177.57 178.55 1qfy h SER 627 N 0.64 0.28 0.51 0.00 4.64 -1.88 -0.96 113.55 116.77 1qfy h SER 627 Ca 0.16 -0.05 -0.23 0.00 -0.47 0.00 0.00 61.79 61.21 1qfy h SER 627 Cb 0.15 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1qfy h SER 627 CO -0.02 0.38 -0.98 0.78 -0.87 0.00 0.00 176.83 176.12 1qfy h ASN 628 N 0.30 0.40 -0.20 4.97 2.35 -1.42 -1.75 115.58 120.22 1qfy h ASN 628 Ca 0.07 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1qfy h ASN 628 Cb 0.28 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1qfy h ASN 628 CO 0.01 1.17 0.10 0.15 -1.65 0.00 0.00 177.43 177.21 1qfy h PHE 629 N 0.15 0.29 -0.03 1.19 3.57 -1.03 -2.09 116.94 118.99 1qfy h PHE 629 Ca -0.08 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1qfy h PHE 629 Cb 1.64 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.29 1qfy h PHE 629 CO 0.05 0.28 0.01 -0.07 -2.23 0.00 0.00 178.31 176.35 1qfy h LEU 630 N 0.21 0.04 -0.49 0.59 3.38 -1.19 -2.51 115.31 115.34 1qfy h LEU 630 Ca 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1qfy h LEU 630 Cb 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1qfy h LEU 630 CO -0.01 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1qfy n ASP 632 N -1.97 0.88 -4.72 0.00 8.00 -0.79 -4.98 116.55 112.98 1qfy n ASP 632 Ca 0.02 -0.72 -0.43 0.00 0.71 0.00 0.00 54.79 54.38 1qfy n ASP 632 Cb 0.19 0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 41.83 1qfy n ASP 632 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1qfy n LEU 633 N -1.29 3.84 -4.55 0.64 4.77 -0.70 -5.02 117.00 114.70 1qfy n LEU 633 Ca 0.06 1.19 -0.30 0.00 -0.03 0.00 0.00 56.01 56.93 1qfy n LEU 633 Cb 0.35 -1.52 -0.11 0.00 -2.33 0.00 0.00 43.42 39.81 1qfy n LEU 633 CO 0.37 -0.25 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.20 1qfy s LYS 634 N -1.41 2.13 0.11 3.23 -0.14 -1.26 -4.85 119.74 117.55 1qfy s LYS 634 Ca 0.59 -1.00 -0.36 0.00 -1.36 0.00 0.00 55.97 53.84 1qfy s LYS 634 Cb -0.55 -2.29 -0.16 0.00 -1.68 0.00 0.00 37.83 33.15 1qfy s LYS 634 CO 0.58 0.52 1.40 -2.30 -0.76 0.00 0.00 175.35 174.80 1qfy n PRO 635 N 0.98 1.44 0.00 -1.68 -0.02 -1.26 -1.37 135.00 133.09 1qfy n PRO 635 Ca -0.14 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1qfy n PRO 635 Cb 0.52 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1qfy n PRO 635 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qfy n GLY 636 N 2.76 2.87 3.77 -1.23 0.00 0.17 -4.95 105.19 108.57 1qfy n GLY 636 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1qfy n GLY 636 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qfy s SER 637 N 0.30 6.29 0.47 1.61 0.01 -0.47 -4.57 113.70 117.34 1qfy s SER 637 Ca 0.00 2.59 -0.14 0.00 1.31 0.00 0.00 55.95 59.71 1qfy s SER 637 Cb 0.00 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.53 1qfy s SER 637 CO 0.00 -0.86 0.90 -1.61 0.41 0.00 0.00 173.24 172.08 1qfy s GLU 638 N -2.30 3.86 -0.10 12.44 2.02 -1.26 -0.53 118.70 132.83 1qfy s GLU 638 Ca 0.58 0.74 -0.08 0.00 0.02 0.00 0.00 54.97 56.23 1qfy s GLU 638 Cb -0.36 -2.24 0.03 0.00 0.10 0.00 0.00 34.13 31.66 1qfy s GLU 638 CO 0.46 -0.19 0.25 0.54 0.02 0.00 0.00 175.26 176.35 1qfy s VAL 639 N -2.54 -0.01 -0.33 2.63 0.11 -0.12 -4.90 120.40 115.24 1qfy s VAL 639 Ca 0.55 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 59.47 1qfy s VAL 639 Cb -0.10 -0.36 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 1qfy s VAL 639 CO 0.32 0.01 0.46 -0.54 -3.33 0.00 0.00 175.10 172.03 1qfy s LYS 640 N 0.41 3.69 -0.01 1.54 1.02 -1.26 -0.94 119.74 124.20 1qfy s LYS 640 Ca -0.02 -0.16 0.02 0.00 0.02 0.00 0.00 55.97 55.83 1qfy s LYS 640 Cb -0.04 -3.78 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 1qfy s LYS 640 CO -0.02 -0.55 -0.02 0.42 -0.92 0.00 0.00 175.35 174.26 1qfy s ILE 641 N 2.26 4.03 0.24 2.17 1.01 0.32 -2.25 121.20 128.99 1qfy s ILE 641 Ca 0.17 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1qfy s ILE 641 Cb -0.16 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 1qfy s ILE 641 CO 0.12 0.41 -0.02 0.42 0.00 0.00 0.00 174.94 175.87 1qfy s THR 642 N -1.03 1.24 0.00 2.92 -4.23 -0.75 -1.19 115.64 112.60 1qfy s THR 642 Ca 0.18 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1qfy s THR 642 Cb -0.11 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1qfy s THR 642 CO 0.08 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1qfy n GLY 643 N -0.47 0.46 3.71 3.99 0.00 0.60 -1.82 105.19 111.66 1qfy n GLY 643 Ca -0.05 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 1qfy n GLY 643 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qfy s PRO 644 N 0.00 0.99 0.06 1.61 0.04 -1.26 -1.38 135.00 135.07 1qfy s PRO 644 Ca 0.00 0.68 0.01 0.00 0.04 0.00 0.00 61.00 61.72 1qfy s PRO 644 Cb 0.00 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 1qfy s PRO 644 CO 0.00 -2.39 -0.05 0.14 0.04 0.00 0.00 177.00 174.74 1qfy s VAL 645 N -2.97 0.47 0.00 -0.36 -7.23 0.33 -0.24 120.40 110.40 1qfy s VAL 645 Ca 0.64 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1qfy s VAL 645 Cb -0.18 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.54 1qfy s VAL 645 CO 0.57 -0.75 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 1qfy n GLY 646 N 0.55 1.67 0.00 2.32 0.00 -1.26 -1.04 105.19 107.42 1qfy n GLY 646 Ca -0.17 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1qfy n GLY 646 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qfy n LYS 647 N 1.68 0.00 -0.06 1.61 5.02 -1.26 -4.76 118.16 120.39 1qfy n LYS 647 Ca 0.00 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 1qfy n LYS 647 Cb 0.00 -0.43 -0.07 0.00 -0.02 0.00 0.00 35.03 34.52 1qfy n LYS 647 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1qfy h GLU 648 N 0.00 0.50 -0.91 1.97 4.57 -1.95 -3.32 114.58 115.44 1qfy h GLU 648 Ca 0.00 -0.30 -0.31 0.00 -1.18 0.00 0.00 59.36 57.56 1qfy h GLU 648 Cb 0.55 0.03 -0.19 0.00 -0.16 0.00 0.00 28.75 28.98 1qfy h GLU 648 CO 0.00 0.90 0.40 -1.33 -1.18 0.00 0.00 179.01 177.80 1qfy n MET 649 N -4.38 2.58 -2.52 1.92 2.81 -1.26 -4.84 117.12 111.42 1qfy n MET 649 Ca -0.06 -2.48 -0.35 0.00 -1.81 0.00 0.00 57.70 53.01 1qfy n MET 649 Cb 0.46 -2.00 -0.03 0.00 -0.71 0.00 0.00 33.22 30.93 1qfy n MET 649 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qfy s LEU 650 N -2.57 3.90 0.62 4.03 1.43 -1.25 -4.09 118.68 120.75 1qfy s LEU 650 Ca 0.46 1.98 -0.17 0.00 -1.03 0.00 0.00 54.13 55.37 1qfy s LEU 650 Cb 0.38 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 1qfy s LEU 650 CO 0.10 -0.76 1.12 -0.04 0.23 0.00 0.00 176.35 177.00 1qfy s MET 651 N -3.08 2.97 0.44 1.70 -1.94 -1.26 -4.71 119.30 113.42 1qfy s MET 651 Ca 0.66 1.49 -0.23 0.00 -1.71 0.00 0.00 55.69 55.90 1qfy s MET 651 Cb -0.18 -1.96 -0.08 0.00 2.01 0.00 0.00 34.83 34.61 1qfy s MET 651 CO 0.22 -1.13 1.13 -2.14 -0.01 0.00 0.00 175.02 173.09 1qfy s PRO 652 N -3.79 3.88 0.12 2.03 0.02 -1.26 0.76 135.00 136.76 1qfy s PRO 652 Ca 0.70 1.71 -0.15 0.00 0.02 0.00 0.00 61.00 63.27 1qfy s PRO 652 Cb -0.22 -2.45 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 1qfy s PRO 652 CO 0.36 -0.43 1.56 0.87 -0.33 0.00 0.00 177.00 179.03 1qfy h LYS 653 N 2.19 0.67 -6.23 5.54 1.57 -0.46 -3.42 116.57 116.43 1qfy h LYS 653 Ca -0.49 -0.22 -0.61 0.00 -1.87 0.00 0.00 60.65 57.47 1qfy h LYS 653 Cb 1.24 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.50 1qfy h LYS 653 CO 0.61 0.78 1.20 -3.47 -0.57 0.00 0.00 179.45 177.99 1qfy n ASP 654 N -4.46 3.43 -0.04 0.86 -0.08 -1.26 -4.87 116.55 110.12 1qfy n ASP 654 Ca -0.01 0.82 0.10 0.00 -1.51 0.00 0.00 54.79 54.19 1qfy n ASP 654 Cb 0.29 -1.41 0.58 0.00 2.34 0.00 0.00 41.12 42.93 1qfy n ASP 654 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1qfy n PRO 655 N 7.18 1.05 -0.03 -0.67 -0.04 -1.26 -3.14 135.00 138.09 1qfy n PRO 655 Ca 0.25 -0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 1qfy n PRO 655 Cb 0.32 -1.32 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 1qfy n PRO 655 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qfy n ASN 656 N -0.74 1.80 -4.71 3.54 4.13 -1.26 0.43 115.26 118.46 1qfy n ASN 656 Ca 0.15 -1.51 -0.30 0.00 1.68 0.00 0.00 54.58 54.60 1qfy n ASN 656 Cb 0.09 -0.04 0.14 0.00 -1.54 0.00 0.00 39.78 38.42 1qfy n ASN 656 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qfy s ALA 657 N -0.64 1.63 -0.26 5.41 0.00 -1.19 -4.16 121.76 122.55 1qfy s ALA 657 Ca 0.08 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1qfy s ALA 657 Cb 0.05 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1qfy s ALA 657 CO 0.07 -2.36 0.24 0.99 0.00 0.00 0.00 175.76 174.70 1qfy s THR 658 N -2.81 5.29 -0.30 0.00 2.01 0.38 -2.51 115.64 117.69 1qfy s THR 658 Ca 0.64 0.30 -0.00 0.00 0.31 0.00 0.00 61.69 62.93 1qfy s THR 658 Cb -0.19 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 68.81 1qfy s THR 658 CO 0.57 0.26 -0.01 -0.69 -0.69 0.00 0.00 174.62 174.06 1qfy s VAL 659 N 1.60 2.72 -0.23 3.82 1.01 0.31 0.11 120.40 129.75 1qfy s VAL 659 Ca 0.10 -1.59 -0.14 0.00 0.00 0.00 0.00 61.98 60.35 1qfy s VAL 659 Cb -0.15 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1qfy s VAL 659 CO 0.09 -0.17 0.31 -0.63 0.00 0.00 0.00 175.10 174.70 1qfy s ILE 660 N 1.17 5.25 -0.18 2.22 1.01 -0.38 -1.27 121.20 129.03 1qfy s ILE 660 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.12 1qfy s ILE 660 Cb -0.20 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.63 1qfy s ILE 660 CO -0.03 0.26 -0.17 -0.04 0.00 0.00 0.00 174.94 174.96 1qfy s MET 661 N 1.38 3.08 -0.24 2.79 -1.94 0.76 -1.01 119.30 124.12 1qfy s MET 661 Ca 0.14 -0.79 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 1qfy s MET 661 Cb -0.15 -2.64 0.04 0.00 2.01 0.00 0.00 34.83 34.10 1qfy s MET 661 CO 0.07 -0.16 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.31 1qfy s LEU 662 N 1.22 3.13 0.05 -0.03 1.43 0.10 -0.03 118.68 124.55 1qfy s LEU 662 Ca 0.03 -1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 52.08 1qfy s LEU 662 Cb -0.14 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 1qfy s LEU 662 CO -0.09 -0.14 -0.03 -0.83 0.23 0.00 0.00 176.35 175.49 1qfy s GLY 663 N 1.24 0.43 -0.07 -3.19 0.00 -0.47 -1.15 107.32 104.10 1qfy s GLY 663 Ca -0.02 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.66 1qfy s GLY 663 CO -0.06 -1.15 -0.11 -0.51 0.00 0.00 0.00 173.10 171.28 1qfy s THR 664 N -3.22 1.06 0.00 0.90 -4.23 -1.08 -1.16 115.64 107.91 1qfy s THR 664 Ca 0.01 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1qfy s THR 664 Cb 0.03 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.87 1qfy s THR 664 CO -0.07 0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 1qfy n GLY 665 N 4.06 3.20 0.00 3.99 0.00 -0.64 -1.04 105.19 114.76 1qfy n GLY 665 Ca -0.21 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.68 1qfy n GLY 665 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qfy n THR 666 N 0.00 1.44 0.20 2.61 -2.24 -1.26 -1.63 114.28 113.41 1qfy n THR 666 Ca 0.00 0.36 0.05 0.00 -2.27 0.00 0.00 64.05 62.19 1qfy n THR 666 Cb 0.00 -1.29 0.24 0.00 -2.10 0.00 0.00 70.33 67.18 1qfy n THR 666 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qfy n GLY 667 N -1.03 -0.78 0.21 3.38 0.00 -0.20 -1.41 105.19 105.36 1qfy n GLY 667 Ca 0.01 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1qfy n GLY 667 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qfy h ILE 668 N 0.00 0.95 -0.84 -0.61 6.09 -1.49 -3.37 117.51 118.23 1qfy h ILE 668 Ca 0.00 -1.03 0.10 0.00 -1.37 0.00 0.00 64.86 62.56 1qfy h ILE 668 Cb 0.11 1.60 -0.12 0.00 0.47 0.00 0.00 36.82 38.87 1qfy h ILE 668 CO 0.00 0.27 -0.42 0.00 -3.07 0.00 0.00 178.15 174.93 1qfy n ALA 669 N -2.38 -0.33 0.27 0.18 0.00 -0.50 -0.60 120.51 117.16 1qfy n ALA 669 Ca -0.02 0.78 0.16 0.00 0.00 0.00 0.00 53.44 54.36 1qfy n ALA 669 Cb 0.36 -0.24 0.63 0.00 0.00 0.00 0.00 19.45 20.19 1qfy n ALA 669 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qfy h PRO 670 N 0.00 0.00 0.00 0.00 0.13 -1.72 -2.60 132.00 127.80 1qfy h PRO 670 Ca 0.21 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.17 1qfy h PRO 670 Cb 0.42 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 1qfy h PRO 670 CO -0.82 0.04 -0.82 0.74 -0.23 0.00 0.00 178.00 176.91 1qfy h PHE 671 N 0.00 0.00 -0.49 1.56 0.04 -1.09 -1.60 116.94 115.36 1qfy h PHE 671 Ca -0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1qfy h PHE 671 Cb 0.57 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 1qfy h PHE 671 CO 0.00 0.82 -0.10 -0.09 -0.60 0.00 0.00 178.31 178.34 1qfy h ARG 672 N 0.00 0.90 0.49 1.51 2.43 -0.95 -1.76 114.38 117.01 1qfy h ARG 672 Ca -0.01 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 1qfy h ARG 672 Cb 1.60 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 1qfy h ARG 672 CO 0.11 0.95 -0.24 1.03 -1.51 0.00 0.00 179.97 180.31 1qfy h SER 673 N 0.81 -0.56 -0.13 -3.80 0.87 -1.31 -2.05 113.55 107.37 1qfy h SER 673 Ca 0.13 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 1qfy h SER 673 Cb 0.62 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.66 1qfy h SER 673 CO 0.04 -0.38 -0.33 -0.26 -0.53 0.00 0.00 176.83 175.37 1qfy h PHE 674 N -0.69 -0.91 -0.70 2.24 -1.00 -1.20 -3.07 116.94 111.60 1qfy h PHE 674 Ca -0.07 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 1qfy h PHE 674 Cb 0.52 0.42 -0.03 0.00 3.61 0.00 0.00 35.95 40.47 1qfy h PHE 674 CO -0.04 -0.41 0.43 -0.07 -1.61 0.00 0.00 178.31 176.62 1qfy h LEU 675 N -0.40 0.84 -0.61 1.54 3.38 -1.28 -1.12 115.31 117.65 1qfy h LEU 675 Ca 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1qfy h LEU 675 Cb 0.55 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1qfy h LEU 675 CO -0.36 0.64 0.28 -0.50 0.09 0.00 0.00 178.44 178.59 1qfy h TRP 676 N 0.97 0.89 -0.23 1.13 4.06 -1.28 0.24 115.95 121.73 1qfy h TRP 676 Ca 0.25 -0.05 -0.14 0.00 2.06 0.00 0.00 58.89 61.01 1qfy h TRP 676 Cb -0.05 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 27.83 1qfy h TRP 676 CO 0.00 0.69 -0.43 -0.22 -3.56 0.00 0.00 178.44 174.91 1qfy h LYS 677 N 0.83 0.56 -0.04 0.49 3.64 -1.41 -0.71 116.57 119.93 1qfy h LYS 677 Ca 0.21 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1qfy h LYS 677 Cb 0.15 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1qfy h LYS 677 CO -0.02 0.89 -0.15 0.52 -2.27 0.00 0.00 179.45 178.41 1qfy h MET 678 N 0.46 0.18 0.00 1.90 2.86 -0.92 -3.36 114.93 116.05 1qfy h MET 678 Ca 0.03 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1qfy h MET 678 Cb 0.94 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1qfy h MET 678 CO 0.08 0.77 -1.60 1.19 1.06 0.00 0.00 176.91 178.41 1qfy n PHE 679 N -4.60 0.00 -0.12 -0.22 3.72 0.81 -4.46 117.46 112.59 1qfy n PHE 679 Ca -0.08 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 1qfy n PHE 679 Cb 0.40 -0.34 0.17 0.00 -0.94 0.00 0.00 39.48 38.77 1qfy n PHE 679 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qfy n PHE 680 N -2.04 0.49 -4.02 1.38 3.72 -0.32 -5.00 117.46 111.67 1qfy n PHE 680 Ca -0.06 -0.44 -0.12 0.00 -0.05 0.00 0.00 57.45 56.77 1qfy n PHE 680 Cb 0.45 -0.02 -0.12 0.00 -0.94 0.00 0.00 39.48 38.85 1qfy n PHE 680 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1qfy s GLU 681 N -1.01 0.34 -0.25 -1.08 2.02 -0.90 -4.96 118.70 112.85 1qfy s GLU 681 Ca 0.27 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 54.78 1qfy s GLU 681 Cb 0.14 -0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.24 1qfy s GLU 681 CO 0.19 0.03 -0.02 0.15 0.02 0.00 0.00 175.26 175.62 1qfy s LYS 682 N -0.92 3.02 0.04 1.61 1.02 -1.26 -4.77 119.74 118.48 1qfy s LYS 682 Ca -0.07 -0.87 0.09 0.00 0.02 0.00 0.00 55.97 55.14 1qfy s LYS 682 Cb -0.06 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 1qfy s LYS 682 CO -0.00 -0.37 -0.26 -1.01 -0.92 0.00 0.00 175.35 172.79 1qfy s HIS 683 N 1.40 2.32 0.09 3.18 3.76 -1.24 -5.04 115.29 119.77 1qfy s HIS 683 Ca 0.02 -0.41 -0.14 0.00 -0.15 0.00 0.00 55.06 54.38 1qfy s HIS 683 Cb -0.16 -1.40 -0.14 0.00 1.11 0.00 0.00 32.58 31.99 1qfy s HIS 683 CO -0.02 0.12 1.32 1.05 -0.85 0.00 0.00 174.74 176.36 1qfy h GLU 684 N 4.82 0.74 0.00 1.40 4.11 -2.04 -3.21 114.58 120.40 1qfy h GLU 684 Ca -0.46 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 58.42 1qfy h GLU 684 Cb 1.14 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1qfy h GLU 684 CO 0.44 1.16 0.00 -0.40 0.07 0.00 0.00 179.01 180.28 1qfy n ASP 685 N -4.07 0.00 -3.40 3.06 5.75 -1.26 -4.72 116.55 111.91 1qfy n ASP 685 Ca -0.06 -0.87 0.02 0.00 -0.01 0.00 0.00 54.79 53.86 1qfy n ASP 685 Cb 0.65 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.70 1qfy n ASP 685 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1qfy s TYR 686 N -2.00 -0.76 -0.16 2.11 6.14 -1.21 -5.08 117.35 116.40 1qfy s TYR 686 Ca 0.41 1.26 -0.02 0.00 0.64 0.00 0.00 57.07 59.36 1qfy s TYR 686 Cb 0.19 0.43 0.05 0.00 0.42 0.00 0.00 41.96 43.05 1qfy s TYR 686 CO 0.31 -0.38 -0.01 -0.65 0.64 0.00 0.00 175.55 175.47 1qfy s GLN 687 N 2.54 0.97 0.04 4.97 -1.52 -1.26 -3.68 119.66 121.71 1qfy s GLN 687 Ca -0.02 -0.36 -0.31 0.00 -1.95 0.00 0.00 55.36 52.73 1qfy s GLN 687 Cb -0.07 -1.83 -0.06 0.00 -0.22 0.00 0.00 33.01 30.83 1qfy s GLN 687 CO -0.17 -0.49 1.34 0.12 -0.25 0.00 0.00 175.29 175.85 1qfy s PHE 688 N 1.79 3.10 -0.00 0.91 5.36 -1.26 -4.75 117.98 123.12 1qfy s PHE 688 Ca 0.01 0.98 0.00 0.00 -0.96 0.00 0.00 56.93 56.96 1qfy s PHE 688 Cb -0.15 -3.60 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 1qfy s PHE 688 CO -0.07 -2.12 0.62 -1.71 -1.46 0.00 0.00 175.22 170.47 1qfy n ASN 689 N 4.68 0.41 -1.67 6.13 2.85 0.17 -5.02 115.26 122.82 1qfy n ASN 689 Ca 0.12 -1.24 0.00 0.00 -0.11 0.00 0.00 54.58 53.35 1qfy n ASN 689 Cb 0.44 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.45 1qfy n ASN 689 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qfy n GLY 690 N -0.11 0.43 3.51 8.20 0.00 -0.96 -4.84 105.19 111.42 1qfy n GLY 690 Ca 0.00 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1qfy n GLY 690 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qfy s LEU 691 N 0.00 3.50 -0.21 0.99 2.96 -1.05 -4.75 118.68 120.13 1qfy s LEU 691 Ca 0.00 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1qfy s LEU 691 Cb 0.00 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 1qfy s LEU 691 CO 0.00 0.07 -0.03 0.00 -1.32 0.00 0.00 176.35 175.06 1qfy s ALA 692 N 1.01 2.87 -0.18 5.97 0.00 -0.04 -0.53 121.76 130.86 1qfy s ALA 692 Ca 0.03 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1qfy s ALA 692 Cb -0.14 -1.69 0.05 0.00 0.00 0.00 0.00 23.12 21.34 1qfy s ALA 692 CO 0.03 -0.27 -0.06 -0.46 0.00 0.00 0.00 175.76 175.00 1qfy s TRP 693 N 1.21 1.93 -0.15 0.00 -0.11 -0.39 -0.75 118.94 120.67 1qfy s TRP 693 Ca 0.03 -1.29 -0.05 0.00 1.22 0.00 0.00 56.10 56.01 1qfy s TRP 693 Cb -0.14 -1.41 -0.03 0.00 -1.50 0.00 0.00 33.47 30.38 1qfy s TRP 693 CO -0.01 -0.67 0.02 -1.17 -4.62 0.00 0.00 176.95 170.50 1qfy s LEU 694 N 1.56 3.57 -0.18 5.86 2.96 -0.09 -0.17 118.68 132.19 1qfy s LEU 694 Ca -0.01 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1qfy s LEU 694 Cb -0.16 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1qfy s LEU 694 CO -0.08 0.21 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.61 1qfy s PHE 695 N 0.11 2.75 -0.13 5.38 0.40 0.95 -1.58 117.98 125.87 1qfy s PHE 695 Ca 0.02 -1.63 0.01 0.00 -0.60 0.00 0.00 56.93 54.73 1qfy s PHE 695 Cb -0.13 -1.90 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1qfy s PHE 695 CO 0.02 -0.80 -0.14 -1.17 0.70 0.00 0.00 175.22 173.82 1qfy s LEU 696 N 1.30 1.65 -0.23 -0.37 2.96 -0.51 -1.37 118.68 122.10 1qfy s LEU 696 Ca 0.05 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 1qfy s LEU 696 Cb -0.13 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 1qfy s LEU 696 CO -0.13 -0.03 0.08 -0.83 -1.32 0.00 0.00 176.35 174.12 1qfy s GLY 697 N 1.31 1.83 0.23 7.98 0.00 -0.31 -0.96 107.32 117.40 1qfy s GLY 697 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1qfy s GLY 697 CO -0.07 0.37 0.01 -1.34 0.00 0.00 0.00 173.10 172.06 1qfy s VAL 698 N 1.17 0.96 0.03 1.40 -7.23 -0.92 -1.62 120.40 114.18 1qfy s VAL 698 Ca 0.05 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.09 1qfy s VAL 698 Cb -0.14 -2.36 -0.32 0.00 0.56 0.00 0.00 36.38 34.12 1qfy s VAL 698 CO 0.04 -0.31 0.99 1.55 -0.31 0.00 0.00 175.10 177.06 1qfy h PRO 699 N 2.48 0.42 -4.86 4.82 0.13 -1.88 -2.29 132.00 130.81 1qfy h PRO 699 Ca -0.38 -0.71 -0.33 0.00 -0.87 0.00 0.00 66.00 63.71 1qfy h PRO 699 Cb 1.22 0.26 -0.14 0.00 0.13 0.00 0.00 31.00 32.47 1qfy h PRO 699 CO 0.64 1.33 -0.63 0.95 -0.23 0.00 0.00 178.00 180.06 1qfy s THR 700 N -2.62 0.58 0.34 1.56 -4.23 -1.26 -1.58 115.64 108.43 1qfy s THR 700 Ca -0.08 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.57 1qfy s THR 700 Cb 0.05 -2.51 0.08 0.00 1.34 0.00 0.00 72.50 71.46 1qfy s THR 700 CO 0.91 -0.11 1.79 0.28 -0.54 0.00 0.00 174.62 176.95 1qfy h SER 701 N 2.46 0.00 0.53 3.99 0.02 -1.96 -1.95 113.55 116.64 1qfy h SER 701 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1qfy h SER 701 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1qfy h SER 701 CO 0.61 0.41 0.00 -1.54 -1.14 0.00 0.00 176.83 175.17 1qfy n SER 702 N -3.98 0.00 -1.04 3.07 3.41 -1.26 -2.25 113.62 111.57 1qfy n SER 702 Ca -0.02 0.30 0.10 0.00 -0.26 0.00 0.00 58.87 58.99 1qfy n SER 702 Cb 0.44 -0.41 0.20 0.00 -0.26 0.00 0.00 64.21 64.18 1qfy n SER 702 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qfy n SER 703 N -1.41 3.31 -4.77 4.04 7.64 -0.73 -0.36 113.62 121.34 1qfy n SER 703 Ca 0.06 -1.94 -0.40 0.00 1.01 0.00 0.00 58.87 57.60 1qfy n SER 703 Cb 0.19 -0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 63.13 1qfy n SER 703 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qfy s LEU 704 N -1.30 4.34 -0.14 -3.43 1.43 -0.95 -4.83 118.68 113.81 1qfy s LEU 704 Ca 0.35 2.63 0.02 0.00 -1.03 0.00 0.00 54.13 56.11 1qfy s LEU 704 Cb 0.20 -3.76 0.01 0.00 0.03 0.00 0.00 46.19 42.67 1qfy s LEU 704 CO 0.28 -0.63 -0.21 -0.76 0.23 0.00 0.00 176.35 175.26 1qfy s LEU 705 N -2.04 2.18 -1.95 1.79 1.43 -1.26 -4.71 118.68 114.11 1qfy s LEU 705 Ca 0.52 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1qfy s LEU 705 Cb -0.38 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1qfy s LEU 705 CO 0.50 0.09 0.00 -1.22 0.23 0.00 0.00 176.35 175.95 1qfy n TYR 706 N 3.98 -0.24 -0.21 0.29 4.01 -1.26 -4.90 117.16 118.84 1qfy n TYR 706 Ca -0.20 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.56 1qfy n TYR 706 Cb 0.52 -3.39 0.11 0.00 -0.31 0.00 0.00 39.34 36.26 1qfy n TYR 706 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1qfy h LYS 707 N 0.00 0.13 -0.99 -0.72 3.64 -1.99 -1.14 116.57 115.51 1qfy h LYS 707 Ca -0.41 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.97 1qfy h LYS 707 Cb 1.28 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 1qfy h LYS 707 CO 0.57 0.09 0.64 1.49 -2.27 0.00 0.00 179.45 179.97 1qfy h GLU 708 N 0.13 1.31 -0.14 1.90 4.81 -1.98 -0.12 114.58 120.49 1qfy h GLU 708 Ca 0.33 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1qfy h GLU 708 Cb 0.53 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1qfy h GLU 708 CO -0.52 0.88 0.00 0.93 -0.73 0.00 0.00 179.01 179.57 1qfy h GLU 709 N 1.34 0.24 -0.37 1.92 5.08 -1.68 -2.59 114.58 118.53 1qfy h GLU 709 Ca 0.36 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1qfy h GLU 709 Cb -0.13 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1qfy h GLU 709 CO -0.08 0.47 0.15 0.74 -1.00 0.00 0.00 179.01 179.29 1qfy h PHE 710 N -0.02 0.51 -0.23 4.33 0.04 -0.98 -1.86 116.94 118.73 1qfy h PHE 710 Ca 0.04 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 1qfy h PHE 710 Cb 0.36 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1qfy h PHE 710 CO 0.03 0.41 -0.24 0.93 -0.60 0.00 0.00 178.31 178.84 1qfy h GLU 711 N 0.52 0.43 -0.30 1.51 5.08 -0.88 -2.10 114.58 118.83 1qfy h GLU 711 Ca 0.13 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1qfy h GLU 711 Cb 0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1qfy h GLU 711 CO -0.01 0.65 -0.38 0.87 -1.00 0.00 0.00 179.01 179.13 1qfy h LYS 712 N 0.39 0.71 -0.50 2.33 1.57 -0.95 -0.60 116.57 119.51 1qfy h LYS 712 Ca 0.06 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.39 1qfy h LYS 712 Cb 0.63 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1qfy h LYS 712 CO 0.05 0.97 -0.04 0.52 -0.57 0.00 0.00 179.45 180.38 1qfy h MET 713 N 0.59 0.87 -0.25 3.15 2.86 -1.26 0.25 114.93 121.15 1qfy h MET 713 Ca 0.05 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1qfy h MET 713 Cb 0.92 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1qfy h MET 713 CO 0.08 0.90 0.02 -0.22 1.06 0.00 0.00 176.91 178.75 1qfy h LYS 714 N 0.80 0.42 -0.73 1.72 1.63 -1.16 0.15 116.57 119.40 1qfy h LYS 714 Ca 0.14 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 1qfy h LYS 714 Cb 0.54 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 1qfy h LYS 714 CO 0.03 0.58 0.38 1.49 -3.45 0.00 0.00 179.45 178.48 1qfy h GLU 715 N 0.21 1.03 0.00 1.90 4.81 -0.93 -0.08 114.58 121.53 1qfy h GLU 715 Ca 0.07 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1qfy h GLU 715 Cb 0.37 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1qfy h GLU 715 CO 0.01 0.79 -0.41 1.57 -0.73 0.00 0.00 179.01 180.24 1qfy h LYS 716 N 1.01 0.00 -2.04 1.92 2.10 -0.84 -3.37 116.57 115.36 1qfy h LYS 716 Ca 0.25 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.37 1qfy h LYS 716 Cb 0.07 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 31.00 1qfy h LYS 716 CO -0.04 0.15 -1.07 0.00 -2.00 0.00 0.00 179.45 176.50 1qfy n ALA 717 N -2.17 2.57 0.28 0.07 0.00 0.50 -4.96 120.51 116.80 1qfy n ALA 717 Ca 0.02 -3.61 0.14 0.00 0.00 0.00 0.00 53.44 49.98 1qfy n ALA 717 Cb 0.61 -0.86 0.80 0.00 0.00 0.00 0.00 19.45 20.00 1qfy n ALA 717 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qfy h PRO 718 N 3.57 0.00 0.00 0.00 0.13 -1.18 -2.64 132.00 131.87 1qfy h PRO 718 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1qfy h PRO 718 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1qfy h PRO 718 CO 0.53 0.08 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 1qfy n GLU 719 N -3.71 0.00 -0.09 0.86 -0.58 -1.26 -4.46 120.64 111.40 1qfy n GLU 719 Ca -0.02 0.35 0.01 0.00 -0.42 0.00 0.00 57.16 57.08 1qfy n GLU 719 Cb 0.18 -0.97 0.05 0.00 -0.57 0.00 0.00 31.44 30.13 1qfy n GLU 719 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1qfy n ASN 720 N -1.54 1.19 -3.90 1.62 6.94 -1.24 -4.72 115.26 113.61 1qfy n ASN 720 Ca 0.00 -2.07 -0.28 0.00 -0.02 0.00 0.00 54.58 52.20 1qfy n ASN 720 Cb 0.00 -0.34 -0.16 0.00 -2.36 0.00 0.00 39.78 36.91 1qfy n ASN 720 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1qfy s PHE 721 N -1.48 1.71 -0.07 -2.53 5.36 -1.00 -0.86 117.98 119.12 1qfy s PHE 721 Ca 0.07 -1.06 0.03 0.00 -0.96 0.00 0.00 56.93 55.01 1qfy s PHE 721 Cb 0.05 -1.33 -0.02 0.00 -0.34 0.00 0.00 43.02 41.38 1qfy s PHE 721 CO 0.03 -0.61 -0.13 1.03 -1.46 0.00 0.00 175.22 174.08 1qfy s ARG 722 N 1.63 2.71 -0.06 10.12 0.52 0.07 -4.78 118.95 129.17 1qfy s ARG 722 Ca 0.01 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1qfy s ARG 722 Cb -0.15 -2.45 0.02 0.00 0.52 0.00 0.00 34.95 32.89 1qfy s ARG 722 CO -0.08 0.54 -0.08 -1.17 0.02 0.00 0.00 175.30 174.53 1qfy s LEU 723 N -0.50 1.46 -0.04 2.53 2.96 -1.26 -0.91 118.68 122.92 1qfy s LEU 723 Ca 0.07 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1qfy s LEU 723 Cb -0.12 -0.63 0.03 0.00 0.50 0.00 0.00 46.19 45.97 1qfy s LEU 723 CO 0.02 -0.02 -0.00 -1.81 -1.32 0.00 0.00 176.35 173.22 1qfy s ASP 724 N 0.83 0.70 -0.02 3.68 1.01 -0.61 -5.01 116.67 117.24 1qfy s ASP 724 Ca -0.12 -0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.09 1qfy s ASP 724 Cb -0.15 -0.27 -0.04 0.00 1.01 0.00 0.00 42.92 43.47 1qfy s ASP 724 CO 0.01 -0.12 0.09 -0.36 0.21 0.00 0.00 175.17 175.00 1qfy s PHE 725 N 1.21 3.33 -0.48 4.23 0.08 -1.26 -1.43 117.98 123.66 1qfy s PHE 725 Ca -0.07 0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.26 1qfy s PHE 725 Cb -0.13 -1.77 0.13 0.00 -0.57 0.00 0.00 43.02 40.68 1qfy s PHE 725 CO -0.02 0.57 0.26 0.00 -0.10 0.00 0.00 175.22 175.93 1qfy s ALA 726 N -1.16 2.72 -0.85 5.36 0.00 -0.14 -4.93 121.76 122.76 1qfy s ALA 726 Ca 0.21 -2.94 -0.20 0.00 0.00 0.00 0.00 51.96 49.03 1qfy s ALA 726 Cb -0.12 -2.02 0.11 0.00 0.00 0.00 0.00 23.12 21.09 1qfy s ALA 726 CO 0.12 -2.04 1.10 0.08 0.00 0.00 0.00 175.76 175.01 1qfy s VAL 727 N -0.01 4.54 0.42 0.00 1.01 -1.24 -2.17 120.40 122.95 1qfy s VAL 727 Ca 0.18 -1.13 0.16 0.00 0.00 0.00 0.00 61.98 61.20 1qfy s VAL 727 Cb -0.24 -4.77 0.37 0.00 0.00 0.00 0.00 36.38 31.74 1qfy s VAL 727 CO -0.01 -1.52 1.88 0.77 0.00 0.00 0.00 175.10 176.22 1qfy h SER 728 N 9.15 0.41 -0.32 3.32 4.64 -1.02 0.10 113.55 129.83 1qfy h SER 728 Ca 0.02 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1qfy h SER 728 Cb 1.04 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1qfy h SER 728 CO 1.16 0.19 0.00 0.54 -0.87 0.00 0.00 176.83 177.85 1qfy n ARG 729 N -4.50 2.30 0.00 4.77 1.74 -0.61 -4.05 116.66 116.31 1qfy n ARG 729 Ca 0.17 -1.96 0.00 0.00 -0.77 0.00 0.00 57.85 55.29 1qfy n ARG 729 Cb 0.61 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 1qfy n ARG 729 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qfy n GLU 730 N 1.18 3.11 -4.31 5.56 1.02 -0.93 -5.01 120.64 121.26 1qfy n GLU 730 Ca 0.18 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.10 1qfy n GLU 730 Cb 0.53 -0.31 -0.12 0.00 -0.02 0.00 0.00 31.44 31.53 1qfy n GLU 730 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1qfy s GLN 731 N -0.52 1.19 -0.03 3.49 -0.21 -0.02 -5.06 119.66 118.50 1qfy s GLN 731 Ca 0.00 -1.29 -0.13 0.00 0.02 0.00 0.00 55.36 53.97 1qfy s GLN 731 Cb 0.00 -1.33 0.02 0.00 1.00 0.00 0.00 33.01 32.70 1qfy s GLN 731 CO 0.00 0.29 0.28 0.08 -2.12 0.00 0.00 175.29 173.81 1qfy s VAL 732 N -1.66 0.05 0.62 1.09 1.01 -1.26 -0.91 120.40 119.34 1qfy s VAL 732 Ca 0.11 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1qfy s VAL 732 Cb -0.08 -0.55 0.14 0.00 0.00 0.00 0.00 36.38 35.89 1qfy s VAL 732 CO 0.05 -0.24 0.84 -0.46 0.00 0.00 0.00 175.10 175.29 1qfy n ASN 733 N 1.57 0.42 0.26 3.32 0.23 -0.40 -4.87 115.26 115.79 1qfy n ASN 733 Ca -0.20 -1.52 0.10 0.00 -0.53 0.00 0.00 54.58 52.42 1qfy n ASN 733 Cb 0.56 -0.61 0.68 0.00 -2.08 0.00 0.00 39.78 38.33 1qfy n ASN 733 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1qfy h ASP 734 N -0.91 0.00 0.04 0.53 3.32 -2.02 -0.63 116.42 116.76 1qfy h ASP 734 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1qfy h ASP 734 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1qfy h ASP 734 CO 0.23 0.07 0.00 0.29 -1.72 0.00 0.00 179.24 178.10 1qfy n LYS 735 N -4.20 0.94 -1.15 3.56 5.02 -1.26 -4.88 118.16 116.19 1qfy n LYS 735 Ca -0.03 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1qfy n LYS 735 Cb 0.15 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1qfy n LYS 735 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qfy n GLY 736 N 1.00 0.39 3.76 0.72 0.00 -0.24 -5.03 105.19 105.78 1qfy n GLY 736 Ca 0.23 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 1qfy n GLY 736 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qfy s GLU 737 N -2.30 4.25 0.22 1.61 2.02 -1.26 -4.79 118.70 118.45 1qfy s GLU 737 Ca 0.00 0.57 -0.31 0.00 0.02 0.00 0.00 54.97 55.25 1qfy s GLU 737 Cb 0.00 -3.35 -0.15 0.00 0.10 0.00 0.00 34.13 30.73 1qfy s GLU 737 CO 0.00 0.36 1.11 1.63 0.02 0.00 0.00 175.26 178.38 1qfy n LYS 738 N 2.87 1.28 -2.54 1.61 5.02 -1.26 -1.27 118.16 123.87 1qfy n LYS 738 Ca -0.08 0.45 -0.42 0.00 -2.02 0.00 0.00 58.31 56.24 1qfy n LYS 738 Cb 0.51 -1.90 -0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1qfy n LYS 738 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1qfy n MET 739 N 1.38 3.07 -2.30 1.97 0.00 -0.09 -4.82 117.12 116.34 1qfy n MET 739 Ca 0.13 -3.22 -0.26 0.00 -0.00 0.00 0.00 57.70 54.35 1qfy n MET 739 Cb 0.28 -3.52 0.13 0.00 0.00 0.00 0.00 33.22 30.11 1qfy n MET 739 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1qfy s TYR 740 N 4.77 1.73 0.20 1.12 2.02 -1.26 -2.37 117.35 123.56 1qfy s TYR 740 Ca 0.55 0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 57.16 1qfy s TYR 740 Cb 0.04 -3.44 0.16 0.00 -0.40 0.00 0.00 41.96 38.32 1qfy s TYR 740 CO 0.08 -2.03 1.85 0.97 -1.57 0.00 0.00 175.55 174.85 1qfy h ILE 741 N -0.96 1.13 0.00 2.71 2.10 -1.93 -2.21 117.51 118.35 1qfy h ILE 741 Ca -0.40 -0.30 -0.05 0.00 1.08 0.00 0.00 64.86 65.18 1qfy h ILE 741 Cb 1.26 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 1qfy h ILE 741 CO 0.41 0.16 -0.26 0.06 -1.08 0.00 0.00 178.15 177.44 1qfy h GLN 742 N 0.87 0.00 -0.47 2.19 -0.00 -1.94 -1.58 115.11 114.18 1qfy h GLN 742 Ca 0.26 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.78 1qfy h GLN 742 Cb -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.43 1qfy h GLN 742 CO -0.08 0.26 -0.24 1.15 -0.00 0.00 0.00 178.83 179.92 1qfy h THR 743 N 0.00 1.27 -0.10 1.86 2.02 -1.73 -1.96 112.91 114.26 1qfy h THR 743 Ca -0.00 -1.40 -0.18 0.00 0.77 0.00 0.00 66.41 65.59 1qfy h THR 743 Cb 0.52 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1qfy h THR 743 CO 0.03 0.48 -0.69 -0.09 0.37 0.00 0.00 175.52 175.63 1qfy h ARG 744 N 0.85 0.45 -0.14 6.66 9.65 -1.00 -3.09 114.38 127.78 1qfy h ARG 744 Ca 0.11 -0.35 -0.08 0.00 -1.10 0.00 0.00 59.98 58.56 1qfy h ARG 744 Cb 0.82 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 1qfy h ARG 744 CO 0.07 0.98 -0.26 0.52 2.80 0.00 0.00 179.97 184.08 1qfy h MET 745 N 0.32 0.25 0.00 0.20 2.86 -1.21 -2.70 114.93 114.64 1qfy h MET 745 Ca -0.02 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1qfy h MET 745 Cb 1.26 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 1qfy h MET 745 CO 0.12 0.50 -0.08 0.00 1.06 0.00 0.00 176.91 178.52 1qfy h ALA 746 N 1.50 1.59 0.00 6.32 0.00 -1.26 -0.98 119.26 126.43 1qfy h ALA 746 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qfy h ALA 746 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1qfy h ALA 746 CO 0.04 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.43 1qfy n GLN 747 N -4.03 0.08 -0.27 0.00 6.02 -1.02 -2.73 117.38 115.42 1qfy n GLN 747 Ca -0.03 0.23 0.07 0.00 -0.01 0.00 0.00 57.00 57.26 1qfy n GLN 747 Cb 0.16 -1.62 0.10 0.00 1.02 0.00 0.00 30.24 29.90 1qfy n GLN 747 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1qfy n TYR 748 N -1.76 0.00 -0.24 1.08 4.01 -0.43 -4.89 117.16 114.93 1qfy n TYR 748 Ca 0.04 -0.70 0.25 0.00 -0.16 0.00 0.00 57.90 57.33 1qfy n TYR 748 Cb 0.25 -0.12 0.61 0.00 -0.31 0.00 0.00 39.34 39.77 1qfy n TYR 748 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qfy h ALA 749 N 0.08 2.52 0.33 -0.72 0.00 -1.19 -1.25 119.26 119.03 1qfy h ALA 749 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qfy h ALA 749 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1qfy h ALA 749 CO 0.00 -0.83 -0.16 0.93 0.00 0.00 0.00 179.25 179.20 1qfy h GLU 750 N 0.22 -0.43 -0.53 0.00 4.39 -1.89 -2.70 114.58 113.63 1qfy h GLU 750 Ca 0.49 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.28 1qfy h GLU 750 Cb 1.53 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 30.22 1qfy h GLU 750 CO -0.13 -0.10 0.23 0.93 -1.16 0.00 0.00 179.01 178.78 1qfy h GLU 751 N -0.90 0.42 -0.70 2.33 3.07 -1.84 -1.38 114.58 115.58 1qfy h GLU 751 Ca -0.05 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1qfy h GLU 751 Cb 0.52 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 1qfy h GLU 751 CO 0.07 0.28 0.39 -0.07 -1.40 0.00 0.00 179.01 178.29 1qfy h LEU 752 N 0.44 0.87 -0.85 1.33 3.38 -1.33 -0.86 115.31 118.29 1qfy h LEU 752 Ca 0.25 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1qfy h LEU 752 Cb 0.23 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1qfy h LEU 752 CO -0.22 0.70 -0.02 -0.25 0.09 0.00 0.00 178.44 178.75 1qfy h TRP 753 N 0.96 0.91 -0.23 1.13 -0.00 -1.12 0.13 115.95 117.72 1qfy h TRP 753 Ca 0.25 -0.14 0.01 0.00 -0.00 0.00 0.00 58.89 59.01 1qfy h TRP 753 Cb 0.02 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 28.92 1qfy h TRP 753 CO -0.01 0.84 0.12 0.93 -0.00 0.00 0.00 178.44 180.32 1qfy h GLU 754 N 0.78 0.24 -0.17 2.65 4.39 -0.68 -2.37 114.58 119.43 1qfy h GLU 754 Ca 0.15 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1qfy h GLU 754 Cb 0.49 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1qfy h GLU 754 CO 0.02 0.16 0.08 -0.07 -1.16 0.00 0.00 179.01 178.05 1qfy h LEU 755 N 0.25 0.22 -2.35 1.33 3.38 -0.72 -2.83 115.31 114.60 1qfy h LEU 755 Ca 0.10 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1qfy h LEU 755 Cb 0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1qfy h LEU 755 CO -0.06 0.28 0.15 -0.07 0.09 0.00 0.00 178.44 178.83 1qfy h LEU 756 N 0.15 0.00 -0.10 1.67 3.38 -0.56 -0.75 115.31 119.11 1qfy h LEU 756 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1qfy h LEU 756 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1qfy h LEU 756 CO -0.01 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.63 1qfy h LYS 757 N 0.00 0.00 -7.45 1.13 1.57 -1.16 -3.46 116.57 107.19 1qfy h LYS 757 Ca 0.05 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.38 1qfy h LYS 757 Cb 0.35 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.82 1qfy h LYS 757 CO -0.00 0.00 0.24 0.15 -0.57 0.00 0.00 179.45 179.27 1qfy s LYS 758 N -3.22 0.43 0.02 3.15 1.02 -0.29 -5.00 119.74 115.85 1qfy s LYS 758 Ca 0.07 0.25 0.22 0.00 0.02 0.00 0.00 55.97 56.54 1qfy s LYS 758 Cb 0.07 -1.76 -0.08 0.00 -0.52 0.00 0.00 37.83 35.53 1qfy s LYS 758 CO 0.64 -2.67 0.92 -0.25 -0.92 0.00 0.00 175.35 173.07 1qfy n ASP 759 N -4.09 0.64 -1.45 2.83 8.00 -1.26 -4.28 116.55 116.94 1qfy n ASP 759 Ca 0.08 -0.46 0.08 0.00 0.71 0.00 0.00 54.79 55.19 1qfy n ASP 759 Cb 0.59 1.03 0.34 0.00 -0.02 0.00 0.00 41.12 43.06 1qfy n ASP 759 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1qfy n ASN 760 N -1.82 4.94 -4.63 -2.24 6.94 -1.26 -4.96 115.26 112.23 1qfy n ASN 760 Ca 0.02 -2.98 -0.38 0.00 -0.02 0.00 0.00 54.58 51.23 1qfy n ASN 760 Cb 0.41 -0.63 -0.09 0.00 -2.36 0.00 0.00 39.78 37.11 1qfy n ASN 760 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1qfy s THR 761 N -2.80 5.29 -0.06 5.53 2.01 -1.26 -0.47 115.64 123.87 1qfy s THR 761 Ca 0.49 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.86 1qfy s THR 761 Cb 0.39 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 1qfy s THR 761 CO 0.13 0.27 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.82 1qfy s PHE 762 N 1.46 2.69 -0.10 4.92 0.40 0.12 -4.86 117.98 122.61 1qfy s PHE 762 Ca 0.11 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1qfy s PHE 762 Cb -0.15 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 1qfy s PHE 762 CO 0.08 0.08 -0.12 0.08 0.70 0.00 0.00 175.22 176.04 1qfy s VAL 763 N -0.49 3.21 -0.02 -0.44 1.01 -0.51 -1.25 120.40 121.90 1qfy s VAL 763 Ca 0.06 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1qfy s VAL 763 Cb -0.12 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 1qfy s VAL 763 CO 0.02 0.55 -0.12 -0.31 0.00 0.00 0.00 175.10 175.24 1qfy s TYR 764 N -0.16 1.21 -0.03 5.22 1.51 -0.18 0.30 117.35 125.21 1qfy s TYR 764 Ca 0.00 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 1qfy s TYR 764 Cb -0.13 -0.81 0.01 0.00 -0.11 0.00 0.00 41.96 40.91 1qfy s TYR 764 CO 0.03 -0.08 -0.06 1.41 -1.11 0.00 0.00 175.55 175.74 1qfy s MET 765 N -0.03 0.79 -0.14 -0.62 1.75 0.44 -0.72 119.30 120.76 1qfy s MET 765 Ca -0.00 -0.19 -0.10 0.00 -1.25 0.00 0.00 55.69 54.15 1qfy s MET 765 Cb -0.08 -0.77 0.05 0.00 2.84 0.00 0.00 34.83 36.86 1qfy s MET 765 CO 0.00 0.02 0.36 0.00 -0.65 0.00 0.00 175.02 174.76 1qfy n GLY 767 N 3.58 0.46 3.77 0.00 0.00 -1.06 -2.62 105.19 109.32 1qfy n GLY 767 Ca -0.19 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 1qfy n GLY 767 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qfy s LEU 768 N 0.00 4.39 0.56 0.99 1.43 -1.26 -0.10 118.68 124.69 1qfy s LEU 768 Ca 0.00 2.43 0.25 0.00 -1.03 0.00 0.00 54.13 55.78 1qfy s LEU 768 Cb 0.00 -3.77 1.54 0.00 0.03 0.00 0.00 46.19 44.00 1qfy s LEU 768 CO 0.00 -0.44 2.12 0.11 0.23 0.00 0.00 176.35 178.37 1qfy h LYS 769 N 3.28 0.00 0.00 1.70 1.57 -1.85 -3.04 116.57 118.24 1qfy h LYS 769 Ca -0.48 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 1qfy h LYS 769 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1qfy h LYS 769 CO 0.65 0.00 -0.41 0.78 -0.57 0.00 0.00 179.45 179.90 1qfy h GLY 770 N 0.00 0.00 1.08 3.86 0.00 -1.92 -3.34 103.07 102.75 1qfy h GLY 770 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.50 1qfy h GLY 770 CO -0.00 0.00 0.37 0.00 0.00 0.00 0.00 176.54 176.91 1qfy h MET 771 N 0.00 0.00 -0.29 4.80 -0.00 -1.94 -3.22 114.93 114.28 1qfy h MET 771 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.78 1qfy h MET 771 Cb 1.01 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.60 1qfy h MET 771 CO 0.05 0.00 0.23 0.93 -0.00 0.00 0.00 176.91 178.13 1qfy h GLU 772 N 0.00 0.00 0.06 -0.10 5.08 -1.82 -3.36 114.58 114.44 1qfy h GLU 772 Ca 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1qfy h GLU 772 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1qfy h GLU 772 CO -0.00 0.00 -0.03 -0.22 -1.00 0.00 0.00 179.01 177.76 1qfy h LYS 773 N 0.00 -0.07 -0.35 2.33 1.63 -1.88 -3.36 116.57 114.87 1qfy h LYS 773 Ca 0.14 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.04 1qfy h LYS 773 Cb 0.60 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 1qfy h LYS 773 CO -0.00 0.53 0.59 0.78 -3.45 0.00 0.00 179.45 177.90 1qfy h GLY 774 N -0.85 0.00 1.11 5.01 0.00 -1.85 -2.20 103.07 104.30 1qfy h GLY 774 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1qfy h GLY 774 CO 0.01 0.00 -0.05 -2.22 0.00 0.00 0.00 176.54 174.28 1qfy h ILE 775 N 0.00 1.27 -0.49 2.60 2.04 -1.80 -2.94 117.51 118.18 1qfy h ILE 775 Ca 0.16 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.73 1qfy h ILE 775 Cb 1.35 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1qfy h ILE 775 CO -0.00 0.43 -0.06 0.44 0.00 0.00 0.00 178.15 178.96 1qfy h ASP 776 N 0.94 0.85 0.14 1.72 3.32 -1.61 -2.29 116.42 119.50 1qfy h ASP 776 Ca 0.16 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1qfy h ASP 776 Cb 0.61 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1qfy h ASP 776 CO 0.04 0.95 -0.25 0.44 -1.72 0.00 0.00 179.24 178.70 1qfy h ASP 777 N 0.79 0.19 0.02 6.45 3.32 -1.63 -1.47 116.42 124.09 1qfy h ASP 777 Ca 0.14 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1qfy h ASP 777 Cb 0.56 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1qfy h ASP 777 CO 0.03 0.45 -0.01 0.40 -1.72 0.00 0.00 179.24 178.39 1qfy h ILE 778 N 0.17 1.46 -0.02 0.35 2.04 -1.34 -3.38 117.51 116.79 1qfy h ILE 778 Ca 0.03 -1.61 -0.17 0.00 1.00 0.00 0.00 64.86 64.11 1qfy h ILE 778 Cb 0.55 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1qfy h ILE 778 CO 0.04 0.40 -0.75 0.24 0.00 0.00 0.00 178.15 178.08 1qfy h MET 779 N -0.74 0.15 -0.86 2.37 2.86 -1.36 -3.40 114.93 113.95 1qfy h MET 779 Ca -0.00 -0.14 0.22 0.00 -2.06 0.00 0.00 59.70 57.72 1qfy h MET 779 Cb 0.68 0.03 -0.13 0.00 0.06 0.00 0.00 31.60 32.25 1qfy h MET 779 CO 0.00 0.83 0.28 -0.24 1.06 0.00 0.00 176.91 178.85 1qfy h VAL 780 N 0.10 0.40 0.00 -2.22 3.04 -1.45 -2.50 116.25 113.61 1qfy h VAL 780 Ca -0.02 -0.10 -0.10 0.00 -1.01 0.00 0.00 66.70 65.48 1qfy h VAL 780 Cb 1.32 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 1qfy h VAL 780 CO 0.11 0.05 -0.73 0.77 -1.01 0.00 0.00 177.57 176.76 1qfy h SER 781 N 0.28 0.00 -0.24 3.17 4.64 -1.84 -2.86 113.55 116.70 1qfy h SER 781 Ca 0.54 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.73 1qfy h SER 781 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1qfy h SER 781 CO -0.59 0.40 -0.31 -0.07 -0.87 0.00 0.00 176.83 175.39 1qfy h LEU 782 N 0.00 0.78 -0.16 5.97 3.38 -1.69 0.01 115.31 123.60 1qfy h LEU 782 Ca -0.04 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 1qfy h LEU 782 Cb 1.34 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1qfy h LEU 782 CO 0.04 1.03 -0.45 0.00 0.09 0.00 0.00 178.44 179.16 1qfy h ALA 783 N 1.02 0.27 -0.43 1.53 0.00 -1.54 -3.10 119.26 117.00 1qfy h ALA 783 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1qfy h ALA 783 Cb 0.83 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1qfy h ALA 783 CO 0.07 0.40 0.04 0.00 0.00 0.00 0.00 179.25 179.76 1qfy h ALA 784 N 0.55 1.25 -0.12 0.00 0.00 -0.98 0.66 119.26 120.62 1qfy h ALA 784 Ca -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1qfy h ALA 784 Cb 1.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1qfy h ALA 784 CO 0.10 0.50 0.12 0.87 0.00 0.00 0.00 179.25 180.84 1qfy h LYS 785 N 0.65 0.00 -0.48 0.00 1.57 -0.92 0.40 116.57 117.79 1qfy h LYS 785 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1qfy h LYS 785 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1qfy h LYS 785 CO 0.01 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 1qfy n ASP 786 N -3.99 3.42 -1.89 0.86 9.92 -0.34 -4.96 116.55 119.57 1qfy n ASP 786 Ca -0.00 -1.96 -0.10 0.00 -0.53 0.00 0.00 54.79 52.20 1qfy n ASP 786 Cb 0.23 -0.31 0.04 0.00 -0.64 0.00 0.00 41.12 40.43 1qfy n ASP 786 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qfy n GLY 787 N 1.28 0.26 3.01 0.44 0.00 0.14 -5.05 105.19 105.26 1qfy n GLY 787 Ca 0.19 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1qfy n GLY 787 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfy s ILE 788 N -3.14 0.79 -0.30 -0.61 1.01 0.22 -4.94 121.20 114.22 1qfy s ILE 788 Ca 0.20 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.27 1qfy s ILE 788 Cb -0.09 -0.69 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 1qfy s ILE 788 CO 0.32 0.24 0.62 -0.62 0.00 0.00 0.00 174.94 175.50 1qfy s ASP 789 N 0.12 6.49 0.21 3.58 2.15 -1.26 -1.39 116.67 126.58 1qfy s ASP 789 Ca -0.02 0.44 -0.09 0.00 0.43 0.00 0.00 52.55 53.32 1qfy s ASP 789 Cb -0.08 -2.33 0.27 0.00 -0.30 0.00 0.00 42.92 40.49 1qfy s ASP 789 CO 0.00 -0.46 1.78 -0.25 -0.17 0.00 0.00 175.17 176.07 1qfy h TRP 790 N 8.16 0.58 -0.82 -5.34 2.91 -1.89 -0.92 115.95 118.62 1qfy h TRP 790 Ca -0.27 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.76 1qfy h TRP 790 Cb 1.12 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 29.57 1qfy h TRP 790 CO 0.76 0.23 0.43 0.82 -1.03 0.00 0.00 178.44 179.64 1qfy h ILE 791 N 0.57 1.25 0.00 2.65 1.08 -1.96 0.16 117.51 121.27 1qfy h ILE 791 Ca 0.31 -0.66 -0.08 0.00 -0.39 0.00 0.00 64.86 64.04 1qfy h ILE 791 Cb 0.29 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 1qfy h ILE 791 CO -0.24 0.29 -0.38 -0.08 -0.69 0.00 0.00 178.15 177.05 1qfy h GLU 792 N 1.16 0.00 0.03 2.37 4.57 -1.92 -2.22 114.58 118.57 1qfy h GLU 792 Ca 0.29 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1qfy h GLU 792 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1qfy h GLU 792 CO -0.04 0.38 -0.02 -0.92 -1.18 0.00 0.00 179.01 177.23 1qfy h TYR 793 N 0.00 -0.04 -0.97 0.92 3.20 -0.43 -2.70 116.97 116.95 1qfy h TYR 793 Ca -0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1qfy h TYR 793 Cb 1.03 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.24 1qfy h TYR 793 CO 0.00 0.52 0.61 -0.22 -1.64 0.00 0.00 178.16 177.43 1qfy h LYS 794 N -0.64 1.03 -0.72 1.82 3.64 -0.67 -0.82 116.57 120.21 1qfy h LYS 794 Ca -0.00 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1qfy h LYS 794 Cb 0.58 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1qfy h LYS 794 CO 0.01 0.68 0.35 -0.09 -2.27 0.00 0.00 179.45 178.13 1qfy h ARG 795 N 1.06 1.04 0.00 1.90 1.12 -1.42 -0.75 114.38 117.33 1qfy h ARG 795 Ca 0.44 -0.15 -0.13 0.00 -1.11 0.00 0.00 59.98 59.03 1qfy h ARG 795 Cb 0.29 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.04 1qfy h ARG 795 CO -0.21 0.81 -0.63 1.79 -3.11 0.00 0.00 179.97 178.62 1qfy h THR 796 N 1.01 1.41 -0.27 0.20 1.35 -0.95 -2.72 112.91 112.95 1qfy h THR 796 Ca 0.25 -2.19 -0.19 0.00 -0.55 0.00 0.00 66.41 63.73 1qfy h THR 796 Cb 0.11 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1qfy h THR 796 CO -0.03 0.62 -0.58 -0.07 -0.25 0.00 0.00 175.52 175.20 1qfy h LEU 797 N 0.00 0.98 -1.22 3.87 3.38 -0.77 -0.96 115.31 120.58 1qfy h LEU 797 Ca -0.01 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1qfy h LEU 797 Cb 1.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1qfy h LEU 797 CO 0.08 1.35 0.27 0.11 0.09 0.00 0.00 178.44 180.34 1qfy h LYS 798 N 0.65 0.81 0.00 1.13 1.57 -1.08 0.19 116.57 119.84 1qfy h LYS 798 Ca 0.00 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1qfy h LYS 798 Cb 1.20 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1qfy h LYS 798 CO 0.13 0.64 -0.50 0.87 -0.57 0.00 0.00 179.45 180.02 1qfy h LYS 799 N 0.81 0.00 -0.10 3.15 1.57 -1.36 -3.04 116.57 117.60 1qfy h LYS 799 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1qfy h LYS 799 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1qfy h LYS 799 CO -0.03 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 1qfy n ALA 800 N -2.25 2.55 -1.82 3.86 0.00 -0.38 -4.88 120.51 117.59 1qfy n ALA 800 Ca 0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 1qfy n ALA 800 Cb 0.69 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1qfy n ALA 800 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qfy n GLU 801 N -0.19 -0.86 -0.28 0.00 1.02 -1.00 -4.93 120.64 114.40 1qfy n GLU 801 Ca 0.13 0.71 0.08 0.00 -0.02 0.00 0.00 57.16 58.06 1qfy n GLU 801 Cb 0.19 -4.78 0.20 0.00 -0.02 0.00 0.00 31.44 27.02 1qfy n GLU 801 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1qfy n GLN 802 N -2.35 2.40 -3.31 3.49 6.02 0.61 -4.82 117.38 119.41 1qfy n GLN 802 Ca -0.13 -2.62 -0.09 0.00 -0.01 0.00 0.00 57.00 54.16 1qfy n GLN 802 Cb 0.50 -1.64 -0.06 0.00 1.02 0.00 0.00 30.24 30.06 1qfy n GLN 802 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 1qfy s TRP 803 N -2.59 -0.97 -0.10 1.08 -0.11 -1.21 -1.43 118.94 113.61 1qfy s TRP 803 Ca 0.35 0.45 0.03 0.00 1.22 0.00 0.00 56.10 58.14 1qfy s TRP 803 Cb 0.28 -0.11 -0.01 0.00 -1.50 0.00 0.00 33.47 32.14 1qfy s TRP 803 CO 0.07 -0.93 -0.20 -0.80 -4.62 0.00 0.00 176.95 170.47 1qfy s ASN 804 N 2.55 3.39 0.01 5.86 0.01 0.15 -4.53 114.94 122.38 1qfy s ASN 804 Ca 0.10 -0.48 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 1qfy s ASN 804 Cb -0.13 -1.41 -0.01 0.00 0.41 0.00 0.00 41.25 40.10 1qfy s ASN 804 CO -0.27 0.17 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.68 1qfy s VAL 805 N 0.28 0.94 -0.34 1.60 1.01 -1.26 -0.42 120.40 122.20 1qfy s VAL 805 Ca -0.15 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1qfy s VAL 805 Cb -0.17 -0.82 0.15 0.00 0.00 0.00 0.00 36.38 35.55 1qfy s VAL 805 CO 0.07 0.15 0.38 -0.70 0.00 0.00 0.00 175.10 175.00 1qfy s GLU 806 N -0.59 0.55 0.15 2.72 2.12 -0.83 -4.96 118.70 117.86 1qfy s GLU 806 Ca 0.03 -0.51 0.09 0.00 0.36 0.00 0.00 54.97 54.94 1qfy s GLU 806 Cb -0.06 -0.59 -0.04 0.00 0.26 0.00 0.00 34.13 33.71 1qfy s GLU 806 CO 0.00 -1.14 -0.21 0.14 -0.54 0.00 0.00 175.26 173.51 1qfy s VAL 807 N 1.83 1.94 0.00 3.70 -7.23 -1.26 -2.56 120.40 116.82 1qfy s VAL 807 Ca 0.14 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1qfy s VAL 807 Cb -0.14 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1qfy s VAL 807 CO -0.14 -0.15 0.00 -1.54 -0.31 0.00 0.00 175.10 172.96