#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyz s ALA 517 N 0.00 3.05 0.25 5.41 0.00 -1.26 -4.95 121.76 124.26 1xyz s ALA 517 Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 1xyz s ALA 517 Cb 0.00 -2.98 0.40 0.00 0.00 0.00 0.00 23.12 20.54 1xyz s ALA 517 CO 0.00 -0.88 1.82 -0.07 0.00 0.00 0.00 175.76 176.63 1xyz h LEU 518 N -0.42 0.73 -2.12 0.00 3.38 -1.88 -1.43 115.31 113.58 1xyz h LEU 518 Ca -0.45 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1xyz h LEU 518 Cb 1.23 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xyz h LEU 518 CO 0.63 0.42 -0.06 0.08 0.09 0.00 0.00 178.44 179.60 1xyz h ARG 519 N 0.85 0.00 -0.15 1.13 0.11 -1.47 -0.96 114.38 113.89 1xyz h ARG 519 Ca 0.40 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.38 1xyz h ARG 519 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1xyz h ARG 519 CO -0.23 0.06 -0.33 -0.44 0.10 0.00 0.00 179.97 179.13 1xyz h ASP 520 N 0.00 0.54 -0.04 0.08 3.32 -1.56 -0.27 116.42 118.49 1xyz h ASP 520 Ca -0.00 -0.57 -0.15 0.00 0.02 0.00 0.00 57.03 56.34 1xyz h ASP 520 Cb 0.13 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1xyz h ASP 520 CO 0.01 1.01 -0.48 1.88 -1.72 0.00 0.00 179.24 179.94 1xyz h TYR 521 N 0.10 0.72 -0.05 4.55 0.05 -1.41 -2.38 116.97 118.55 1xyz h TYR 521 Ca 0.00 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.54 1xyz h TYR 521 Cb 0.93 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.52 1xyz h TYR 521 CO 0.10 0.95 0.00 0.00 -1.05 0.00 0.00 178.16 178.17 1xyz h ALA 522 N 1.01 0.07 -0.92 3.88 0.00 -1.16 -2.93 119.26 119.20 1xyz h ALA 522 Ca 0.03 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.90 1xyz h ALA 522 Cb 1.01 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1xyz h ALA 522 CO 0.09 -0.27 0.54 0.93 0.00 0.00 0.00 179.25 180.54 1xyz h GLU 523 N -0.20 0.80 0.00 0.00 5.08 -1.00 0.64 114.58 119.89 1xyz h GLU 523 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xyz h GLU 523 Cb 0.32 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1xyz h GLU 523 CO 0.00 0.53 -0.04 0.00 -1.00 0.00 0.00 179.01 178.50 1xyz h ALA 524 N 1.54 1.36 -0.15 3.43 0.00 -1.27 -1.30 119.26 122.87 1xyz h ALA 524 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1xyz h ALA 524 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xyz h ALA 524 CO -0.30 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.54 1xyz n ARG 525 N -3.65 2.15 -1.86 0.00 5.12 0.16 -4.98 116.66 113.60 1xyz n ARG 525 Ca -0.03 -1.94 -0.06 0.00 -1.93 0.00 0.00 57.85 53.90 1xyz n ARG 525 Cb 0.14 -1.44 -0.01 0.00 -1.16 0.00 0.00 32.46 29.99 1xyz n ARG 525 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xyz n GLY 526 N 1.27 0.32 3.43 -0.13 0.00 -0.49 -5.05 105.19 104.53 1xyz n GLY 526 Ca 0.14 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1xyz n GLY 526 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xyz s ILE 527 N -2.26 2.71 -0.17 -0.61 -1.09 -0.96 -4.90 121.20 113.92 1xyz s ILE 527 Ca 0.00 -1.08 -0.08 0.00 -2.23 0.00 0.00 60.65 57.27 1xyz s ILE 527 Cb 0.00 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 1xyz s ILE 527 CO 0.00 0.44 0.08 -0.54 -1.23 0.00 0.00 174.94 173.69 1xyz s LYS 528 N -1.13 3.87 -0.13 2.79 -0.14 -0.55 -3.60 119.74 120.84 1xyz s LYS 528 Ca 0.13 -0.29 0.01 0.00 -1.36 0.00 0.00 55.97 54.46 1xyz s LYS 528 Cb -0.10 -3.22 -0.00 0.00 -1.68 0.00 0.00 37.83 32.82 1xyz s LYS 528 CO 0.03 0.39 -0.17 -1.50 -0.76 0.00 0.00 175.35 173.34 1xyz s ILE 529 N 0.06 2.55 0.11 2.17 2.07 -1.26 -1.33 121.20 125.57 1xyz s ILE 529 Ca 0.07 -0.83 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 1xyz s ILE 529 Cb -0.12 -2.05 -0.00 0.00 0.13 0.00 0.00 42.46 40.42 1xyz s ILE 529 CO 0.00 0.53 0.13 0.61 -1.91 0.00 0.00 174.94 174.31 1xyz n GLY 530 N 3.81 3.17 3.36 1.50 0.00 -0.33 -0.98 105.19 115.72 1xyz n GLY 530 Ca -0.19 -1.58 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 1xyz n GLY 530 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xyz s THR 531 N -2.51 0.04 0.54 2.61 -1.32 -1.02 -1.36 115.64 112.63 1xyz s THR 531 Ca 0.11 -0.36 -0.17 0.00 -1.21 0.00 0.00 61.69 60.06 1xyz s THR 531 Cb 0.00 -1.03 -0.07 0.00 -1.51 0.00 0.00 72.50 69.90 1xyz s THR 531 CO 0.08 -0.20 1.02 0.00 -2.21 0.00 0.00 174.62 173.30 1xyz s VAL 533 N -2.47 4.79 0.71 0.00 1.01 -0.05 -4.31 120.40 120.08 1xyz s VAL 533 Ca 0.62 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 1xyz s VAL 533 Cb -0.13 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1xyz s VAL 533 CO 0.31 0.17 1.08 0.20 0.00 0.00 0.00 175.10 176.86 1xyz s ASN 534 N 1.67 5.39 0.35 3.32 0.01 -1.26 -3.53 114.94 120.88 1xyz s ASN 534 Ca 0.06 1.31 0.12 0.00 -0.71 0.00 0.00 52.86 53.63 1xyz s ASN 534 Cb -0.16 -2.16 0.92 0.00 0.41 0.00 0.00 41.25 40.26 1xyz s ASN 534 CO 0.07 -1.40 1.77 0.22 -1.51 0.00 0.00 177.10 176.26 1xyz h TYR 535 N -0.69 0.88 -0.27 2.20 3.20 -2.01 -2.41 116.97 117.87 1xyz h TYR 535 Ca -0.45 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.53 1xyz h TYR 535 Cb 1.24 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 1xyz h TYR 535 CO 0.55 0.14 0.34 -1.35 -1.64 0.00 0.00 178.16 176.20 1xyz h PRO 536 N 0.58 0.00 -0.49 1.82 0.11 -1.98 -1.81 132.00 130.23 1xyz h PRO 536 Ca 0.58 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.77 1xyz h PRO 536 Cb 1.17 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 1xyz h PRO 536 CO -0.35 0.00 0.15 0.35 -0.21 0.00 0.00 178.00 177.94 1xyz h PHE 537 N 0.00 0.26 -0.33 0.65 3.57 -1.78 -2.02 116.94 117.28 1xyz h PHE 537 Ca 0.13 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1xyz h PHE 537 Cb 0.81 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1xyz h PHE 537 CO 0.00 0.07 0.10 1.88 -2.23 0.00 0.00 178.31 178.13 1xyz h TYR 538 N 0.31 0.54 -0.30 0.41 0.05 -1.55 -3.13 116.97 113.31 1xyz h TYR 538 Ca 0.24 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1xyz h TYR 538 Cb 0.27 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1xyz h TYR 538 CO -0.18 0.54 0.00 0.27 -1.05 0.00 0.00 178.16 177.74 1xyz n ASN 539 N -4.66 2.43 -2.19 3.88 0.23 -1.20 -4.95 115.26 108.80 1xyz n ASN 539 Ca -0.02 -1.86 -0.21 0.00 -0.53 0.00 0.00 54.58 51.97 1xyz n ASN 539 Cb 0.17 -0.19 -0.03 0.00 -2.08 0.00 0.00 39.78 37.65 1xyz n ASN 539 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1xyz n ASN 540 N 0.82 -5.81 0.06 0.53 3.02 -0.77 -4.89 115.26 108.22 1xyz n ASN 540 Ca 0.17 0.11 0.12 0.00 -0.03 0.00 0.00 54.58 54.95 1xyz n ASN 540 Cb 0.44 -4.90 0.47 0.00 -0.61 0.00 0.00 39.78 35.18 1xyz n ASN 540 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xyz n SER 541 N -1.83 0.39 -3.52 6.41 3.41 -1.19 -4.38 113.62 112.91 1xyz n SER 541 Ca -0.24 0.56 -0.29 0.00 -0.26 0.00 0.00 58.87 58.64 1xyz n SER 541 Cb 0.69 -0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 63.86 1xyz n SER 541 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xyz s ASP 542 N -3.73 2.92 0.33 4.04 -1.08 -1.26 -5.00 116.67 112.89 1xyz s ASP 542 Ca 0.10 -2.49 0.03 0.00 -0.52 0.00 0.00 52.55 49.67 1xyz s ASP 542 Cb 0.13 -0.59 0.62 0.00 -1.46 0.00 0.00 42.92 41.62 1xyz s ASP 542 CO 0.48 -0.27 1.93 -0.65 0.52 0.00 0.00 175.17 177.17 1xyz h PRO 543 N 6.66 0.89 -0.68 4.34 0.11 -1.95 -2.19 132.00 139.19 1xyz h PRO 543 Ca 0.08 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.06 1xyz h PRO 543 Cb 0.94 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1xyz h PRO 543 CO 0.35 0.59 0.13 1.15 -0.21 0.00 0.00 178.00 180.00 1xyz h THR 544 N 0.92 1.26 0.11 -1.15 2.02 -1.98 -1.18 112.91 112.91 1xyz h THR 544 Ca 0.36 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.54 1xyz h THR 544 Cb 0.24 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1xyz h THR 544 CO -0.13 0.39 -0.23 0.22 0.37 0.00 0.00 175.52 176.14 1xyz h TYR 545 N 1.05 -0.60 -0.52 3.16 5.03 -1.83 -2.11 116.97 121.15 1xyz h TYR 545 Ca 0.21 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 1xyz h TYR 545 Cb 0.42 0.25 -0.03 0.00 1.55 0.00 0.00 36.73 38.92 1xyz h TYR 545 CO 0.03 -0.32 0.25 -0.91 -1.32 0.00 0.00 178.16 175.88 1xyz h ASN 546 N -0.42 0.65 -0.05 -2.11 4.21 -1.31 -1.08 115.58 115.48 1xyz h ASN 546 Ca 0.03 -0.06 -0.14 0.00 1.21 0.00 0.00 56.30 57.34 1xyz h ASN 546 Cb 0.44 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 1xyz h ASN 546 CO -0.13 0.56 -0.44 0.77 -1.29 0.00 0.00 177.43 176.90 1xyz h SER 547 N 0.73 0.63 -0.11 5.81 4.64 -0.86 -2.13 113.55 122.26 1xyz h SER 547 Ca 0.18 -0.30 -0.16 0.00 -0.47 0.00 0.00 61.79 61.04 1xyz h SER 547 Cb 0.08 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1xyz h SER 547 CO -0.02 0.98 -0.57 0.40 -0.87 0.00 0.00 176.83 176.75 1xyz h ILE 548 N 0.47 1.35 -0.23 0.95 2.04 -1.15 -3.12 117.51 117.82 1xyz h ILE 548 Ca 0.03 -1.87 0.06 0.00 1.00 0.00 0.00 64.86 64.09 1xyz h ILE 548 Cb 0.96 2.16 -0.06 0.00 -0.74 0.00 0.00 36.82 39.14 1xyz h ILE 548 CO 0.09 0.57 -0.19 0.25 0.00 0.00 0.00 178.15 178.87 1xyz h LEU 549 N 0.20 -0.60 -1.10 1.44 5.85 -1.11 -1.74 115.31 118.26 1xyz h LEU 549 Ca -0.04 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1xyz h LEU 549 Cb 1.21 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.54 1xyz h LEU 549 CO 0.12 -0.23 0.00 0.06 -0.34 0.00 0.00 178.44 178.05 1xyz h GLN 550 N -0.19 0.00 0.06 1.25 3.07 -1.47 -3.27 115.11 114.57 1xyz h GLN 550 Ca 0.13 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.54 1xyz h GLN 550 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.91 1xyz h GLN 550 CO -0.34 0.00 -1.88 -2.13 0.09 0.00 0.00 178.83 174.57 1xyz n ARG 551 N -2.70 0.67 0.05 0.06 0.63 -0.93 -4.71 116.66 109.74 1xyz n ARG 551 Ca 0.01 0.35 0.08 0.00 -0.92 0.00 0.00 57.85 57.36 1xyz n ARG 551 Cb 0.27 -1.68 -0.07 0.00 0.45 0.00 0.00 32.46 31.44 1xyz n ARG 551 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1xyz n GLU 552 N -3.81 0.63 -4.16 -0.14 -0.58 -0.70 -4.74 120.64 107.13 1xyz n GLU 552 Ca -0.36 0.06 -0.30 0.00 -0.42 0.00 0.00 57.16 56.15 1xyz n GLU 552 Cb 0.92 -1.73 -0.08 0.00 -0.57 0.00 0.00 31.44 29.97 1xyz n GLU 552 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1xyz s PHE 553 N -3.26 2.92 -1.13 -0.32 0.08 -1.23 -1.25 117.98 113.80 1xyz s PHE 553 Ca -0.03 -0.07 0.10 0.00 0.12 0.00 0.00 56.93 57.05 1xyz s PHE 553 Cb 0.10 -1.50 0.18 0.00 -0.57 0.00 0.00 43.02 41.24 1xyz s PHE 553 CO 0.83 0.47 1.03 -1.13 -0.10 0.00 0.00 175.22 176.31 1xyz n SER 554 N 0.52 2.35 -3.73 1.36 3.41 -0.15 -4.89 113.62 112.49 1xyz n SER 554 Ca -0.11 -1.70 -0.13 0.00 -0.26 0.00 0.00 58.87 56.66 1xyz n SER 554 Cb 0.52 -0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 1xyz n SER 554 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1xyz s MET 555 N -0.94 0.53 0.11 4.33 -2.45 -1.04 -1.38 119.30 118.47 1xyz s MET 555 Ca 0.17 0.46 0.04 0.00 -1.25 0.00 0.00 55.69 55.11 1xyz s MET 555 Cb 0.10 0.25 -0.04 0.00 1.25 0.00 0.00 34.83 36.40 1xyz s MET 555 CO 0.14 -0.08 -0.11 0.14 1.05 0.00 0.00 175.02 176.16 1xyz s VAL 556 N -0.04 1.08 -0.02 10.11 -7.23 -0.67 -2.42 120.40 121.20 1xyz s VAL 556 Ca -0.02 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 58.34 1xyz s VAL 556 Cb -0.03 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.40 1xyz s VAL 556 CO 0.01 -0.58 0.10 -0.69 -0.31 0.00 0.00 175.10 173.64 1xyz s VAL 557 N -2.60 0.04 -0.00 1.32 1.01 -0.94 -1.68 120.40 117.54 1xyz s VAL 557 Ca 0.09 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1xyz s VAL 557 Cb -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1xyz s VAL 557 CO 0.01 -0.19 1.14 0.00 0.00 0.00 0.00 175.10 176.05 1xyz h GLU 559 N 7.03 0.40 0.00 0.00 4.81 -1.92 -3.42 114.58 121.48 1xyz h GLU 559 Ca -0.38 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1xyz h GLU 559 Cb 1.19 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1xyz h GLU 559 CO 0.82 0.77 -0.09 0.09 -0.73 0.00 0.00 179.01 179.88 1xyz n ASN 560 N -4.52 0.44 0.00 1.04 3.02 -1.26 -4.89 115.26 109.09 1xyz n ASN 560 Ca -0.06 -0.06 0.09 0.00 -0.03 0.00 0.00 54.58 54.52 1xyz n ASN 560 Cb 0.38 0.20 0.40 0.00 -0.61 0.00 0.00 39.78 40.15 1xyz n ASN 560 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xyz n GLU 561 N -0.24 0.02 -0.15 3.52 4.71 -1.26 -2.97 120.64 124.27 1xyz n GLU 561 Ca 0.00 0.18 0.09 0.00 -0.01 0.00 0.00 57.16 57.42 1xyz n GLU 561 Cb 0.00 -1.50 0.16 0.00 -1.01 0.00 0.00 31.44 29.09 1xyz n GLU 561 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1xyz n MET 562 N -1.49 1.80 -1.87 3.49 2.81 -1.26 -4.47 117.12 116.14 1xyz n MET 562 Ca 0.05 -2.54 -0.31 0.00 -1.81 0.00 0.00 57.70 53.09 1xyz n MET 562 Cb 0.21 -1.53 0.01 0.00 -0.71 0.00 0.00 33.22 31.20 1xyz n MET 562 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1xyz s LYS 563 N -2.68 3.52 0.23 0.03 1.02 -1.16 -2.80 119.74 117.90 1xyz s LYS 563 Ca 0.32 0.73 -0.07 0.00 0.02 0.00 0.00 55.97 56.96 1xyz s LYS 563 Cb 0.27 -2.07 0.39 0.00 -0.52 0.00 0.00 37.83 35.90 1xyz s LYS 563 CO 0.04 -0.62 1.71 0.35 -0.92 0.00 0.00 175.35 175.91 1xyz h PHE 564 N -0.36 0.32 -0.03 3.18 3.04 -1.73 -1.63 116.94 119.73 1xyz h PHE 564 Ca -0.44 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.50 1xyz h PHE 564 Cb 1.20 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 1xyz h PHE 564 CO 0.64 -0.01 -0.22 0.38 -2.02 0.00 0.00 178.31 177.08 1xyz h ASP 565 N 0.32 0.05 0.21 0.41 2.03 -1.77 -0.92 116.42 116.75 1xyz h ASP 565 Ca 0.37 -0.01 -0.31 0.00 -0.73 0.00 0.00 57.03 56.36 1xyz h ASP 565 Cb 0.58 -0.01 0.03 0.00 -0.83 0.00 0.00 39.33 39.10 1xyz h ASP 565 CO -0.43 0.28 -1.32 0.00 -1.03 0.00 0.00 179.24 176.73 1xyz h ALA 566 N 1.73 -0.12 0.10 4.15 0.00 -1.62 -3.23 119.26 120.26 1xyz h ALA 566 Ca 0.01 -0.81 -0.27 0.00 0.00 0.00 0.00 54.91 53.84 1xyz h ALA 566 Cb 0.43 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1xyz h ALA 566 CO 0.03 0.64 -1.16 -0.07 0.00 0.00 0.00 179.25 178.68 1xyz h LEU 567 N 0.10 0.54 -6.23 0.00 3.38 -1.26 -3.41 115.31 108.43 1xyz h LEU 567 Ca -0.22 -0.52 -0.58 0.00 0.09 0.00 0.00 57.88 56.65 1xyz h LEU 567 Cb 2.03 -0.17 -0.40 0.00 0.09 0.00 0.00 40.66 42.21 1xyz h LEU 567 CO 0.25 1.36 -0.86 1.67 0.09 0.00 0.00 178.44 180.95 1xyz n GLN 568 N -3.64 1.37 0.24 1.13 7.27 -0.36 -0.63 117.38 122.75 1xyz n GLN 568 Ca -0.09 -3.84 0.09 0.00 0.07 0.00 0.00 57.00 53.23 1xyz n GLN 568 Cb 0.96 -1.74 0.62 0.00 2.41 0.00 0.00 30.24 32.49 1xyz n GLN 568 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1xyz h PRO 569 N 4.44 0.00 -4.94 3.69 0.13 -1.61 -3.43 132.00 130.27 1xyz h PRO 569 Ca 0.15 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.96 1xyz h PRO 569 Cb 0.80 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.75 1xyz h PRO 569 CO 0.60 0.16 -0.73 1.03 -0.23 0.00 0.00 178.00 178.82 1xyz s ARG 570 N -4.41 0.83 0.13 0.86 0.52 -1.26 -4.85 118.95 110.77 1xyz s ARG 570 Ca -0.03 -1.14 -0.31 0.00 -0.52 0.00 0.00 55.73 53.73 1xyz s ARG 570 Cb 0.14 -0.52 -0.10 0.00 0.52 0.00 0.00 34.95 34.99 1xyz s ARG 570 CO 0.64 0.08 1.82 -1.14 0.02 0.00 0.00 175.30 176.72 1xyz s GLN 571 N -2.73 4.14 -1.83 3.54 0.74 -1.26 -1.92 119.66 120.33 1xyz s GLN 571 Ca 0.05 2.59 0.00 0.00 0.05 0.00 0.00 55.36 58.05 1xyz s GLN 571 Cb -0.03 -3.57 0.00 0.00 1.10 0.00 0.00 33.01 30.51 1xyz s GLN 571 CO -0.00 -0.84 0.00 0.09 -0.55 0.00 0.00 175.29 173.99 1xyz n ASN 572 N 5.59 -5.33 -4.13 6.67 3.02 -1.26 -5.01 115.26 114.82 1xyz n ASN 572 Ca 0.18 0.27 -0.33 0.00 -0.03 0.00 0.00 54.58 54.66 1xyz n ASN 572 Cb 0.38 -4.44 -0.16 0.00 -0.61 0.00 0.00 39.78 34.95 1xyz n ASN 572 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xyz s VAL 573 N -2.80 2.15 -0.13 2.41 1.01 -0.81 -5.12 120.40 117.13 1xyz s VAL 573 Ca 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1xyz s VAL 573 Cb 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1xyz s VAL 573 CO 0.00 0.46 -0.10 -0.36 0.00 0.00 0.00 175.10 175.10 1xyz s PHE 574 N 1.28 2.88 -0.36 5.22 0.40 -1.26 -3.61 117.98 122.53 1xyz s PHE 574 Ca 0.03 -0.45 -0.03 0.00 -0.60 0.00 0.00 56.93 55.88 1xyz s PHE 574 Cb -0.14 -1.85 0.08 0.00 0.51 0.00 0.00 43.02 41.62 1xyz s PHE 574 CO -0.11 -0.08 0.12 0.34 0.70 0.00 0.00 175.22 176.18 1xyz s ASP 575 N 0.18 5.14 0.00 1.36 -1.08 0.19 -4.93 116.67 117.53 1xyz s ASP 575 Ca -0.05 -1.61 0.23 0.00 -0.52 0.00 0.00 52.55 50.59 1xyz s ASP 575 Cb -0.15 -1.80 0.42 0.00 -1.46 0.00 0.00 42.92 39.93 1xyz s ASP 575 CO 0.04 -0.41 1.39 0.49 0.52 0.00 0.00 175.17 177.20 1xyz n PHE 576 N 4.64 0.49 0.02 -5.34 3.72 -1.26 -4.51 117.46 115.22 1xyz n PHE 576 Ca -0.08 -0.25 -0.11 0.00 -0.05 0.00 0.00 57.45 56.96 1xyz n PHE 576 Cb 0.43 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.92 1xyz n PHE 576 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xyz h SER 577 N 4.41 -1.01 -0.43 4.37 4.64 -1.97 -0.72 113.55 122.85 1xyz h SER 577 Ca 0.00 0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 1xyz h SER 577 Cb 0.98 0.42 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 1xyz h SER 577 CO 0.00 -0.37 -0.24 0.11 -0.87 0.00 0.00 176.83 175.46 1xyz h LYS 578 N -0.43 0.92 -0.65 4.77 1.57 -1.91 -2.14 116.57 118.69 1xyz h LYS 578 Ca 0.08 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 58.38 1xyz h LYS 578 Cb 0.56 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1xyz h LYS 578 CO -0.33 1.07 0.15 0.78 -0.57 0.00 0.00 179.45 180.56 1xyz h GLY 579 N 0.75 1.12 1.69 3.86 0.00 -1.80 -1.17 103.07 107.52 1xyz h GLY 579 Ca 0.09 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.60 1xyz h GLY 579 CO 0.07 0.64 -0.51 -0.55 0.00 0.00 0.00 176.54 176.19 1xyz h ASP 580 N 0.99 0.36 -0.39 0.19 5.19 -1.05 -1.52 116.42 120.18 1xyz h ASP 580 Ca 0.21 -0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 1xyz h ASP 580 Cb 0.36 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 1xyz h ASP 580 CO 0.00 0.81 0.08 -0.61 -3.12 0.00 0.00 179.24 176.40 1xyz h GLN 581 N 0.26 0.63 -0.54 3.56 4.15 -0.98 -1.89 115.11 120.30 1xyz h GLN 581 Ca 0.01 -0.16 -0.11 0.00 0.77 0.00 0.00 58.65 59.16 1xyz h GLN 581 Cb 0.99 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 1xyz h GLN 581 CO 0.08 0.67 -0.09 1.25 -1.93 0.00 0.00 178.83 178.82 1xyz h LEU 582 N 0.49 1.00 -0.77 -2.39 5.85 -1.04 -2.74 115.31 115.70 1xyz h LEU 582 Ca 0.12 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 1xyz h LEU 582 Cb 0.33 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1xyz h LEU 582 CO 0.00 1.10 0.29 0.25 -0.34 0.00 0.00 178.44 179.74 1xyz h LEU 583 N 0.90 1.09 -0.73 2.25 5.85 -1.21 -0.34 115.31 123.11 1xyz h LEU 583 Ca 0.14 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1xyz h LEU 583 Cb 0.64 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1xyz h LEU 583 CO 0.04 0.98 0.39 0.00 -0.34 0.00 0.00 178.44 179.52 1xyz h ALA 584 N 1.15 0.94 -0.38 1.25 0.00 -1.25 -0.92 119.26 120.06 1xyz h ALA 584 Ca 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xyz h ALA 584 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xyz h ALA 584 CO -0.02 0.47 0.16 0.35 0.00 0.00 0.00 179.25 180.21 1xyz h PHE 585 N 1.02 0.57 -0.46 0.00 3.57 -1.16 -2.50 116.94 117.97 1xyz h PHE 585 Ca 0.26 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1xyz h PHE 585 Cb 0.05 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1xyz h PHE 585 CO 0.00 0.51 0.26 0.00 -2.23 0.00 0.00 178.31 176.85 1xyz h ALA 586 N 1.00 0.59 -0.71 2.41 0.00 -0.62 -2.45 119.26 119.48 1xyz h ALA 586 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1xyz h ALA 586 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xyz h ALA 586 CO -0.01 -0.07 0.23 0.93 0.00 0.00 0.00 179.25 180.33 1xyz h GLU 587 N 0.52 1.09 0.00 0.00 5.08 -1.09 0.08 114.58 120.26 1xyz h GLU 587 Ca 0.19 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xyz h GLU 587 Cb 0.05 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1xyz h GLU 587 CO -0.10 0.92 0.00 2.89 -1.00 0.00 0.00 179.01 181.72 1xyz n ARG 588 N -4.26 0.39 -0.19 2.33 1.85 -0.95 -2.95 116.66 112.88 1xyz n ARG 588 Ca 0.06 0.01 0.05 0.00 -1.00 0.00 0.00 57.85 56.97 1xyz n ARG 588 Cb 0.22 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 30.27 1xyz n ARG 588 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1xyz n ASN 589 N -1.30 2.89 -3.45 2.89 3.02 -0.75 -4.99 115.26 113.58 1xyz n ASN 589 Ca 0.13 -2.26 -0.24 0.00 -0.03 0.00 0.00 54.58 52.18 1xyz n ASN 589 Cb 0.24 -0.26 0.06 0.00 -0.61 0.00 0.00 39.78 39.22 1xyz n ASN 589 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xyz n GLY 590 N -0.00 -0.54 3.65 7.41 0.00 -0.68 -5.01 105.19 110.02 1xyz n GLY 590 Ca 0.11 0.21 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1xyz n GLY 590 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xyz s MET 591 N -6.15 2.41 0.46 1.61 -1.94 -0.07 -4.93 119.30 110.69 1xyz s MET 591 Ca 0.51 -0.95 0.03 0.00 -1.71 0.00 0.00 55.69 53.57 1xyz s MET 591 Cb -0.23 -2.44 0.01 0.00 2.01 0.00 0.00 34.83 34.18 1xyz s MET 591 CO 0.63 0.51 0.66 -0.65 -0.01 0.00 0.00 175.02 176.16 1xyz s GLN 592 N -2.44 2.86 0.01 2.03 -0.21 -0.48 -4.36 119.66 117.08 1xyz s GLN 592 Ca 0.25 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.87 1xyz s GLN 592 Cb -0.11 -2.60 -0.01 0.00 1.00 0.00 0.00 33.01 31.28 1xyz s GLN 592 CO 0.17 -0.37 -0.07 1.41 -2.12 0.00 0.00 175.29 174.31 1xyz s MET 593 N -4.54 0.53 0.02 2.91 -2.45 -1.26 -1.67 119.30 112.85 1xyz s MET 593 Ca 0.52 -0.42 0.00 0.00 -1.25 0.00 0.00 55.69 54.54 1xyz s MET 593 Cb -0.10 -0.45 -0.04 0.00 1.25 0.00 0.00 34.83 35.49 1xyz s MET 593 CO 0.36 0.11 0.10 1.03 1.05 0.00 0.00 175.02 177.68 1xyz s ARG 594 N -0.66 3.11 -0.21 4.11 0.52 -0.68 -2.66 118.95 122.48 1xyz s ARG 594 Ca -0.01 -0.50 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 1xyz s ARG 594 Cb -0.05 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 1xyz s ARG 594 CO 0.00 0.63 0.19 0.20 0.02 0.00 0.00 175.30 176.34 1xyz s GLY 595 N -1.96 2.04 -0.09 -3.53 0.00 0.40 -4.40 107.32 99.79 1xyz s GLY 595 Ca 0.26 -0.73 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 1xyz s GLY 595 CO 0.17 0.35 0.11 -1.58 0.00 0.00 0.00 173.10 172.15 1xyz s HIS 596 N 0.76 -0.02 -0.01 1.90 5.04 -1.26 -0.78 115.29 120.91 1xyz s HIS 596 Ca 0.10 0.29 -0.21 0.00 -1.54 0.00 0.00 55.06 53.70 1xyz s HIS 596 Cb -0.13 -0.43 0.04 0.00 0.04 0.00 0.00 32.58 32.11 1xyz s HIS 596 CO 0.02 -0.29 0.46 -0.08 -2.34 0.00 0.00 174.74 172.51 1xyz s THR 597 N 2.22 0.04 -0.11 0.89 -1.32 -1.12 -3.89 115.64 112.35 1xyz s THR 597 Ca 0.04 -0.30 -0.02 0.00 -1.21 0.00 0.00 61.69 60.19 1xyz s THR 597 Cb -0.13 -0.82 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 1xyz s THR 597 CO -0.05 -0.17 0.02 -0.07 -2.21 0.00 0.00 174.62 172.13 1xyz h LEU 598 N 3.38 0.00 -8.40 9.08 3.38 -1.49 -3.37 115.31 117.90 1xyz h LEU 598 Ca -0.29 -0.05 -0.66 0.00 0.09 0.00 0.00 57.88 56.97 1xyz h LEU 598 Cb 1.17 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.65 1xyz h LEU 598 CO 0.40 0.55 -0.68 -0.63 0.09 0.00 0.00 178.44 178.17 1xyz s ILE 599 N -1.66 3.60 0.10 1.22 -1.09 -0.01 -4.64 121.20 118.73 1xyz s ILE 599 Ca -0.03 -0.58 -0.12 0.00 -2.23 0.00 0.00 60.65 57.69 1xyz s ILE 599 Cb 0.00 -2.74 0.02 0.00 -1.58 0.00 0.00 42.46 38.16 1xyz s ILE 599 CO 0.06 0.28 0.30 0.86 -1.23 0.00 0.00 174.94 175.20 1xyz s TRP 600 N 1.48 -0.03 -0.98 3.97 -0.00 -1.26 -1.44 118.94 120.68 1xyz s TRP 600 Ca 0.04 -0.32 0.26 0.00 -0.00 0.00 0.00 56.10 56.08 1xyz s TRP 600 Cb -0.16 0.10 0.66 0.00 -0.00 0.00 0.00 33.47 34.07 1xyz s TRP 600 CO -0.01 -0.61 1.52 -2.39 -0.00 0.00 0.00 176.95 175.47 1xyz n HIS 601 N -0.07 0.04 -4.18 5.86 1.44 -1.26 -4.89 115.22 112.15 1xyz n HIS 601 Ca -0.16 0.01 -0.23 0.00 -2.01 0.00 0.00 57.72 55.33 1xyz n HIS 601 Cb 0.63 -0.33 -0.06 0.00 0.12 0.00 0.00 29.99 30.34 1xyz n HIS 601 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1xyz s ASN 602 N -3.08 4.77 -1.31 4.39 0.01 -1.26 -4.75 114.94 113.71 1xyz s ASN 602 Ca 0.11 -0.62 -0.01 0.00 -0.71 0.00 0.00 52.86 51.63 1xyz s ASN 602 Cb 0.18 -0.90 0.01 0.00 0.41 0.00 0.00 41.25 40.94 1xyz s ASN 602 CO 0.66 -0.12 0.76 0.00 -1.51 0.00 0.00 177.10 176.89 1xyz n GLN 603 N -1.04 -5.19 -4.04 -0.60 6.02 -1.26 -4.90 117.38 106.36 1xyz n GLN 603 Ca -0.05 0.65 -0.36 0.00 -0.01 0.00 0.00 57.00 57.23 1xyz n GLN 603 Cb 0.60 -5.29 -0.07 0.00 1.02 0.00 0.00 30.24 26.50 1xyz n GLN 603 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xyz s ASN 604 N -4.28 5.99 0.61 1.08 0.01 -1.26 -2.47 114.94 114.62 1xyz s ASN 604 Ca 0.05 0.34 -0.18 0.00 -0.71 0.00 0.00 52.86 52.36 1xyz s ASN 604 Cb -0.03 -1.85 -0.03 0.00 0.41 0.00 0.00 41.25 39.76 1xyz s ASN 604 CO 0.80 0.38 1.17 -2.16 -1.51 0.00 0.00 177.10 175.78 1xyz s PRO 605 N -1.13 2.93 0.37 -0.60 0.04 -1.26 -4.82 135.00 130.52 1xyz s PRO 605 Ca 0.16 1.69 0.07 0.00 0.04 0.00 0.00 61.00 62.97 1xyz s PRO 605 Cb -0.12 -1.94 0.79 0.00 0.04 0.00 0.00 34.50 33.27 1xyz s PRO 605 CO 0.06 -1.21 1.95 0.66 0.04 0.00 0.00 177.00 178.50 1xyz h SER 606 N 0.67 0.62 -0.15 6.66 4.64 -1.97 -0.93 113.55 123.09 1xyz h SER 606 Ca -0.49 0.01 0.04 0.00 -0.47 0.00 0.00 61.79 60.88 1xyz h SER 606 Cb 1.28 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1xyz h SER 606 CO 0.55 0.39 0.12 4.11 -0.87 0.00 0.00 176.83 181.13 1xyz h TRP 607 N 0.70 0.00 0.00 4.77 5.08 -1.92 -1.15 115.95 123.44 1xyz h TRP 607 Ca 0.32 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.26 1xyz h TRP 607 Cb 0.34 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.50 1xyz h TRP 607 CO -0.00 0.00 -0.27 1.25 -1.28 0.00 0.00 178.44 178.14 1xyz h LEU 608 N 0.00 0.00 -2.20 0.11 5.85 -1.55 -3.09 115.31 114.43 1xyz h LEU 608 Ca 0.07 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1xyz h LEU 608 Cb 0.32 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1xyz h LEU 608 CO -0.00 0.82 -0.06 0.71 -0.34 0.00 0.00 178.44 179.57 1xyz h THR 609 N -1.00 0.42 -0.50 1.05 1.35 -1.34 -1.96 112.91 110.93 1xyz h THR 609 Ca -0.05 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1xyz h THR 609 Cb 0.55 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1xyz h THR 609 CO -0.03 0.06 0.00 0.59 -0.25 0.00 0.00 175.52 175.89 1xyz n ASN 610 N -3.56 3.65 -4.59 5.36 5.03 -0.44 -5.01 115.26 115.69 1xyz n ASN 610 Ca -0.02 -2.19 -0.28 0.00 0.87 0.00 0.00 54.58 52.96 1xyz n ASN 610 Cb 0.17 -0.40 0.12 0.00 -1.02 0.00 0.00 39.78 38.66 1xyz n ASN 610 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1xyz s GLY 611 N -1.08 1.71 -0.42 7.41 0.00 -0.74 -5.01 107.32 109.19 1xyz s GLY 611 Ca 0.37 -1.08 -0.08 0.00 0.00 0.00 0.00 44.72 43.94 1xyz s GLY 611 CO 0.21 -0.50 0.26 0.54 0.00 0.00 0.00 173.10 173.62 1xyz s ASN 612 N -4.70 5.56 0.30 1.64 4.22 -1.26 -5.06 114.94 115.63 1xyz s ASN 612 Ca 0.67 -1.67 0.11 0.00 -2.14 0.00 0.00 52.86 49.83 1xyz s ASN 612 Cb -0.07 -1.95 -0.05 0.00 1.28 0.00 0.00 41.25 40.45 1xyz s ASN 612 CO 0.49 -0.56 -0.16 0.26 -2.04 0.00 0.00 177.10 175.08 1xyz s TRP 613 N 1.36 2.34 0.29 1.54 0.52 -1.26 -5.03 118.94 118.70 1xyz s TRP 613 Ca 0.04 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 55.81 1xyz s TRP 613 Cb -0.24 -1.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.93 1xyz s TRP 613 CO 0.00 0.68 0.14 0.54 0.02 0.00 0.00 176.95 178.33 1xyz s ASN 614 N -3.55 1.47 0.17 2.95 2.20 -1.26 -4.99 114.94 111.93 1xyz s ASN 614 Ca 0.31 -1.52 -0.19 0.00 -0.94 0.00 0.00 52.86 50.52 1xyz s ASN 614 Cb -0.03 0.34 0.10 0.00 -2.00 0.00 0.00 41.25 39.65 1xyz s ASN 614 CO 0.16 -0.85 1.63 -0.09 -2.94 0.00 0.00 177.10 175.00 1xyz h ARG 615 N 2.25 -0.14 -0.47 3.55 2.43 -1.90 -1.06 114.38 119.04 1xyz h ARG 615 Ca -0.35 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 1xyz h ARG 615 Cb 1.25 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1xyz h ARG 615 CO 0.54 -0.09 0.20 -0.44 -1.51 0.00 0.00 179.97 178.67 1xyz h ASP 616 N -0.14 0.64 0.53 -3.80 3.32 -1.96 -1.73 116.42 113.27 1xyz h ASP 616 Ca 0.19 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 1xyz h ASP 616 Cb 0.45 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1xyz h ASP 616 CO -0.49 0.61 -0.63 0.77 -1.72 0.00 0.00 179.24 177.78 1xyz h SER 617 N 0.61 0.11 0.42 6.45 4.64 -1.90 -2.75 113.55 121.14 1xyz h SER 617 Ca 0.16 -0.07 -0.20 0.00 -0.47 0.00 0.00 61.79 61.21 1xyz h SER 617 Cb 0.17 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1xyz h SER 617 CO -0.02 0.72 -0.83 0.25 -0.87 0.00 0.00 176.83 176.08 1xyz h LEU 618 N 0.07 0.39 -1.17 5.97 5.85 -1.12 -2.51 115.31 122.79 1xyz h LEU 618 Ca -0.01 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1xyz h LEU 618 Cb 1.13 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1xyz h LEU 618 CO 0.09 1.06 0.20 -0.07 -0.34 0.00 0.00 178.44 179.37 1xyz h LEU 619 N 0.19 0.71 -0.51 2.25 3.38 -1.26 -0.71 115.31 119.36 1xyz h LEU 619 Ca -0.05 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1xyz h LEU 619 Cb 1.44 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1xyz h LEU 619 CO 0.14 0.65 -0.02 0.00 0.09 0.00 0.00 178.44 179.30 1xyz h ALA 620 N 1.45 0.68 -0.54 1.53 0.00 -1.29 -0.57 119.26 120.52 1xyz h ALA 620 Ca 0.18 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xyz h ALA 620 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xyz h ALA 620 CO -0.01 0.51 0.22 0.28 0.00 0.00 0.00 179.25 180.25 1xyz h VAL 621 N 0.77 1.22 -0.18 0.00 2.07 -1.06 -1.44 116.25 117.62 1xyz h VAL 621 Ca 0.14 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1xyz h VAL 621 Cb 0.55 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1xyz h VAL 621 CO 0.03 0.26 0.12 -0.03 0.02 0.00 0.00 177.57 177.97 1xyz h MET 622 N 0.74 0.23 -0.80 1.57 -1.53 -0.90 -1.30 114.93 112.94 1xyz h MET 622 Ca 0.18 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.39 1xyz h MET 622 Cb 0.19 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 31.15 1xyz h MET 622 CO -0.02 0.15 0.36 -0.22 0.14 0.00 0.00 176.91 177.33 1xyz h LYS 623 N 0.24 1.17 -0.53 0.39 3.64 -1.00 -1.49 116.57 118.99 1xyz h LYS 623 Ca 0.07 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.15 1xyz h LYS 623 Cb -0.02 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 1xyz h LYS 623 CO -0.02 0.92 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.98 1xyz h ASN 624 N 1.14 1.02 0.21 4.20 -1.24 -1.04 -1.47 115.58 118.41 1xyz h ASN 624 Ca 0.27 -0.34 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 1xyz h ASN 624 Cb 0.15 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.92 1xyz h ASN 624 CO -0.03 1.14 -0.10 -0.74 -1.29 0.00 0.00 177.43 176.40 1xyz h HIS 625 N 0.89 -0.26 -0.26 0.67 2.76 -1.04 -1.56 115.15 116.35 1xyz h HIS 625 Ca 0.14 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1xyz h HIS 625 Cb 0.69 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 1xyz h HIS 625 CO 0.05 0.03 0.16 0.82 -1.30 0.00 0.00 177.93 177.68 1xyz h ILE 626 N -0.56 1.04 -0.33 6.26 2.04 -1.30 -2.12 117.51 122.55 1xyz h ILE 626 Ca -0.03 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1xyz h ILE 626 Cb 0.41 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1xyz h ILE 626 CO 0.05 0.06 -0.02 0.74 0.00 0.00 0.00 178.15 178.98 1xyz h THR 627 N 0.32 1.26 -0.37 -0.27 2.02 -1.30 -1.61 112.91 112.97 1xyz h THR 627 Ca 0.10 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 1xyz h THR 627 Cb -0.02 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1xyz h THR 627 CO -0.04 0.33 0.12 0.74 0.37 0.00 0.00 175.52 177.04 1xyz h THR 628 N 0.38 1.21 -0.02 3.16 2.02 -1.26 -1.59 112.91 116.81 1xyz h THR 628 Ca 0.09 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1xyz h THR 628 Cb 0.48 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1xyz h THR 628 CO 0.02 0.24 -0.01 0.58 0.37 0.00 0.00 175.52 176.71 1xyz h VAL 629 N 0.45 1.36 -0.42 3.16 2.07 -1.40 -2.85 116.25 118.62 1xyz h VAL 629 Ca 0.12 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 1xyz h VAL 629 Cb 0.25 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1xyz h VAL 629 CO -0.00 0.29 -0.04 0.24 0.02 0.00 0.00 177.57 178.08 1xyz h MET 630 N -0.40 0.70 -0.03 1.57 2.86 -1.32 -2.64 114.93 115.67 1xyz h MET 630 Ca 0.00 -0.19 -0.12 0.00 -2.06 0.00 0.00 59.70 57.34 1xyz h MET 630 Cb 0.48 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1xyz h MET 630 CO 0.00 0.74 -0.54 1.79 1.06 0.00 0.00 176.91 179.96 1xyz h THR 631 N 0.65 1.38 -0.32 2.22 1.35 -1.34 -0.54 112.91 116.30 1xyz h THR 631 Ca 0.13 -1.84 -0.02 0.00 -0.55 0.00 0.00 66.41 64.12 1xyz h THR 631 Cb 0.46 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 1xyz h THR 631 CO 0.02 0.53 0.09 -0.74 -0.25 0.00 0.00 175.52 175.18 1xyz h HIS 632 N 0.05 0.46 -0.35 4.73 6.17 -1.22 -2.67 115.15 122.32 1xyz h HIS 632 Ca -0.00 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.06 1xyz h HIS 632 Cb 0.97 -0.14 -0.00 0.00 2.52 0.00 0.00 27.41 30.75 1xyz h HIS 632 CO 0.01 0.40 0.00 0.66 0.71 0.00 0.00 177.93 179.70 1xyz n TYR 633 N -4.37 1.27 -1.67 5.26 4.01 -1.04 -5.03 117.16 115.59 1xyz n TYR 633 Ca 0.02 -0.84 -0.48 0.00 -0.16 0.00 0.00 57.90 56.44 1xyz n TYR 633 Cb 0.16 -0.37 -0.05 0.00 -0.31 0.00 0.00 39.34 38.77 1xyz n TYR 633 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1xyz n LYS 634 N -0.20 2.05 -0.87 -0.72 4.81 -0.24 -0.70 118.16 122.29 1xyz n LYS 634 Ca 0.23 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 1xyz n LYS 634 Cb 0.99 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.51 1xyz n LYS 634 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xyz n GLY 635 N 3.69 0.63 0.00 3.14 0.00 -1.26 -4.83 105.19 106.56 1xyz n GLY 635 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1xyz n GLY 635 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xyz n LYS 636 N -1.96 1.06 -3.99 1.61 5.02 0.13 -4.91 118.16 115.12 1xyz n LYS 636 Ca 0.00 -0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.86 1xyz n LYS 636 Cb 0.03 -1.26 -0.15 0.00 -0.02 0.00 0.00 35.03 33.63 1xyz n LYS 636 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xyz s ILE 637 N -2.74 2.80 0.18 -0.18 1.01 -1.22 -4.59 121.20 116.47 1xyz s ILE 637 Ca -0.02 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1xyz s ILE 637 Cb 0.09 -2.33 -0.12 0.00 0.01 0.00 0.00 42.46 40.11 1xyz s ILE 637 CO 0.56 0.34 1.43 -0.37 0.00 0.00 0.00 174.94 176.90 1xyz h VAL 638 N 5.98 1.44 -3.74 2.92 -1.51 -1.86 -3.44 116.25 116.04 1xyz h VAL 638 Ca -0.38 -2.34 -0.41 0.00 -1.23 0.00 0.00 66.70 62.34 1xyz h VAL 638 Cb 1.13 2.27 -0.31 0.00 -2.13 0.00 0.00 31.29 32.25 1xyz h VAL 638 CO 0.60 0.69 -0.78 -1.61 -1.23 0.00 0.00 177.57 175.24 1xyz s GLU 639 N -3.44 0.85 -0.10 5.19 2.02 -1.26 -2.03 118.70 119.94 1xyz s GLU 639 Ca -0.04 -0.24 0.04 0.00 0.02 0.00 0.00 54.97 54.75 1xyz s GLU 639 Cb 0.11 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.53 1xyz s GLU 639 CO 0.83 0.07 -0.23 -1.58 0.02 0.00 0.00 175.26 174.36 1xyz s TRP 640 N 0.32 2.50 -0.87 1.61 0.52 -0.36 -0.45 118.94 122.22 1xyz s TRP 640 Ca -0.05 -1.05 -0.21 0.00 0.02 0.00 0.00 56.10 54.81 1xyz s TRP 640 Cb -0.09 -1.68 0.09 0.00 -1.15 0.00 0.00 33.47 30.64 1xyz s TRP 640 CO 0.00 -0.43 1.18 -0.51 0.02 0.00 0.00 176.95 177.21 1xyz s ASP 641 N 0.41 6.44 0.11 2.95 1.01 0.04 -0.62 116.67 127.00 1xyz s ASP 641 Ca -0.18 -1.51 -0.16 0.00 0.71 0.00 0.00 52.55 51.42 1xyz s ASP 641 Cb -0.18 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1xyz s ASP 641 CO 0.08 -1.33 1.53 0.58 0.21 0.00 0.00 175.17 176.24 1xyz h VAL 642 N 6.12 1.27 -4.03 -1.27 2.07 -1.47 -2.42 116.25 116.52 1xyz h VAL 642 Ca 0.02 -1.05 -0.45 0.00 0.82 0.00 0.00 66.70 66.05 1xyz h VAL 642 Cb 1.03 1.26 -0.24 0.00 -1.52 0.00 0.00 31.29 31.83 1xyz h VAL 642 CO 1.22 0.34 -0.79 0.00 0.02 0.00 0.00 177.57 178.36 1xyz s ALA 643 N -4.90 1.20 -0.04 1.67 0.00 -1.22 -0.83 121.76 117.64 1xyz s ALA 643 Ca -0.13 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1xyz s ALA 643 Cb 0.09 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1xyz s ALA 643 CO 0.78 0.22 -0.02 1.21 0.00 0.00 0.00 175.76 177.95 1xyz s ASN 644 N -1.23 0.80 -1.39 0.00 2.47 -0.52 -1.74 114.94 113.32 1xyz s ASN 644 Ca 0.01 -0.08 -0.01 0.00 0.42 0.00 0.00 52.86 53.20 1xyz s ASN 644 Cb -0.08 -0.36 -0.00 0.00 -1.45 0.00 0.00 41.25 39.36 1xyz s ASN 644 CO 0.01 -0.09 0.43 -0.62 -3.72 0.00 0.00 177.10 173.12 1xyz n GLU 645 N 4.18 -3.21 0.01 0.43 1.02 0.23 -4.53 120.64 118.77 1xyz n GLU 645 Ca -0.24 0.41 0.12 0.00 -0.02 0.00 0.00 57.16 57.42 1xyz n GLU 645 Cb 0.51 -4.50 0.14 0.00 -0.02 0.00 0.00 31.44 27.57 1xyz n GLU 645 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xyz s MET 647 N -3.05 4.13 0.55 0.00 -2.45 -1.26 -0.56 119.30 116.67 1xyz s MET 647 Ca 0.09 0.55 -0.21 0.00 -1.25 0.00 0.00 55.69 54.87 1xyz s MET 647 Cb 0.16 -3.28 -0.05 0.00 1.25 0.00 0.00 34.83 32.92 1xyz s MET 647 CO 0.75 0.53 1.27 0.34 1.05 0.00 0.00 175.02 178.96 1xyz s ASP 648 N -0.64 5.34 0.64 1.11 2.15 0.00 -4.65 116.67 120.62 1xyz s ASP 648 Ca 0.26 2.55 0.39 0.00 0.43 0.00 0.00 52.55 56.18 1xyz s ASP 648 Cb -0.17 -2.62 2.18 0.00 -0.30 0.00 0.00 42.92 42.01 1xyz s ASP 648 CO 0.15 -1.50 2.32 0.44 -0.17 0.00 0.00 175.17 176.41 1xyz h ASP 649 N 1.30 0.00 1.13 -0.34 3.32 -1.97 -1.00 116.42 118.86 1xyz h ASP 649 Ca -0.50 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 1xyz h ASP 649 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1xyz h ASP 649 CO 0.57 0.00 -0.38 0.77 -1.72 0.00 0.00 179.24 178.48 1xyz h SER 650 N 0.00 0.00 0.00 6.45 4.64 -1.93 -3.43 113.55 119.28 1xyz h SER 650 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xyz h SER 650 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1xyz h SER 650 CO 0.00 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 1xyz n GLY 651 N 0.60 0.69 0.11 -0.77 0.00 -0.38 -4.42 105.19 101.03 1xyz n GLY 651 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1xyz n GLY 651 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xyz h ASN 652 N 0.00 0.00 0.00 1.61 2.35 -1.91 -3.43 115.58 114.20 1xyz h ASN 652 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xyz h ASN 652 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1xyz h ASN 652 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 1xyz n GLY 653 N 1.20 -2.44 3.76 2.83 0.00 -1.26 -5.06 105.19 104.23 1xyz n GLY 653 Ca 0.05 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 1xyz n GLY 653 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xyz s LEU 654 N 0.00 4.02 0.40 0.99 1.43 -1.26 -0.82 118.68 123.44 1xyz s LEU 654 Ca 0.00 2.49 -0.25 0.00 -1.03 0.00 0.00 54.13 55.34 1xyz s LEU 654 Cb 0.00 -4.18 -0.08 0.00 0.03 0.00 0.00 46.19 41.96 1xyz s LEU 654 CO 0.00 -1.06 1.16 -0.60 0.23 0.00 0.00 176.35 176.08 1xyz s ARG 655 N -2.65 4.05 0.27 1.70 3.52 0.28 -4.61 118.95 121.51 1xyz s ARG 655 Ca 0.64 1.81 -0.29 0.00 -0.13 0.00 0.00 55.73 57.76 1xyz s ARG 655 Cb -0.33 -2.65 -0.09 0.00 -1.56 0.00 0.00 34.95 30.31 1xyz s ARG 655 CO 0.41 -0.32 1.09 -1.54 -0.81 0.00 0.00 175.30 174.13 1xyz s SER 656 N -1.18 7.28 0.25 -2.12 1.04 -1.26 -4.77 113.70 112.94 1xyz s SER 656 Ca 0.57 2.25 -0.22 0.00 0.48 0.00 0.00 55.95 59.03 1xyz s SER 656 Cb -0.30 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.23 1xyz s SER 656 CO 0.37 -0.13 0.79 -0.94 0.98 0.00 0.00 173.24 174.31 1xyz s SER 657 N -0.85 -0.23 0.24 7.02 1.04 -1.26 -4.99 113.70 114.68 1xyz s SER 657 Ca 0.45 -0.57 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 1xyz s SER 657 Cb -0.32 0.66 0.34 0.00 0.10 0.00 0.00 66.02 66.81 1xyz s SER 657 CO 0.40 -1.23 1.85 -0.29 0.98 0.00 0.00 173.24 174.95 1xyz h ILE 658 N 2.00 1.04 -0.10 -1.02 2.10 -1.93 0.44 117.51 120.03 1xyz h ILE 658 Ca -0.21 -0.33 -0.01 0.00 1.08 0.00 0.00 64.86 65.39 1xyz h ILE 658 Cb 1.24 -0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 36.95 1xyz h ILE 658 CO 0.24 0.18 0.01 -0.50 -1.08 0.00 0.00 178.15 177.00 1xyz h TRP 659 N 0.97 0.19 -0.31 2.19 4.06 -1.96 -2.11 115.95 118.98 1xyz h TRP 659 Ca 0.38 -0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.26 1xyz h TRP 659 Cb 0.18 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 1xyz h TRP 659 CO -0.03 0.40 0.06 -0.09 -3.56 0.00 0.00 178.44 175.21 1xyz h ARG 660 N -0.07 0.52 -0.32 0.49 9.65 -1.77 -1.93 114.38 120.94 1xyz h ARG 660 Ca 0.03 -0.14 -0.13 0.00 -1.10 0.00 0.00 59.98 58.65 1xyz h ARG 660 Cb 0.31 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1xyz h ARG 660 CO 0.00 0.61 -0.30 -0.91 2.80 0.00 0.00 179.97 182.17 1xyz h ASN 661 N 0.35 0.82 0.09 -3.80 2.35 -0.91 -2.06 115.58 112.41 1xyz h ASN 661 Ca 0.10 -0.46 -0.13 0.00 -0.55 0.00 0.00 56.30 55.26 1xyz h ASN 661 Cb 0.34 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.49 1xyz h ASN 661 CO 0.01 1.11 -0.57 0.58 -1.65 0.00 0.00 177.43 176.91 1xyz h VAL 662 N 0.54 1.57 0.07 2.81 2.07 -1.45 -3.39 116.25 118.48 1xyz h VAL 662 Ca 0.05 -2.46 -0.12 0.00 0.82 0.00 0.00 66.70 65.00 1xyz h VAL 662 Cb 0.87 3.22 0.01 0.00 -1.52 0.00 0.00 31.29 33.88 1xyz h VAL 662 CO 0.08 0.67 -0.53 0.40 0.02 0.00 0.00 177.57 178.21 1xyz h ILE 663 N -0.61 1.56 0.00 4.57 2.04 -1.49 -3.29 117.51 120.30 1xyz h ILE 663 Ca -0.11 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.43 1xyz h ILE 663 Cb 1.41 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 40.56 1xyz h ILE 663 CO 0.08 0.65 0.00 0.61 0.00 0.00 0.00 178.15 179.49 1xyz n GLY 664 N 1.45 0.55 0.26 5.37 0.00 -0.77 -4.83 105.19 107.22 1xyz n GLY 664 Ca -0.12 -2.26 0.18 0.00 0.00 0.00 0.00 46.02 43.82 1xyz n GLY 664 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1xyz h GLN 665 N 8.73 0.00 -0.67 1.61 3.07 -1.94 -2.87 115.11 123.04 1xyz h GLN 665 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xyz h GLN 665 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1xyz h GLN 665 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 178.83 178.52 1xyz n ASP 666 N -2.90 4.80 -0.14 0.06 5.75 -1.26 -4.62 116.55 118.25 1xyz n ASP 666 Ca -0.00 -2.43 0.11 0.00 -0.01 0.00 0.00 54.79 52.45 1xyz n ASP 666 Cb 0.21 -0.59 0.45 0.00 -1.03 0.00 0.00 41.12 40.16 1xyz n ASP 666 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 1xyz h TYR 667 N 4.18 0.57 0.00 2.11 -0.00 -1.83 -2.07 116.97 119.93 1xyz h TYR 667 Ca 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 58.73 58.66 1xyz h TYR 667 Cb 1.46 -0.18 -0.01 0.00 -0.00 0.00 0.00 36.73 37.99 1xyz h TYR 667 CO 0.78 0.27 -0.39 -0.07 -0.00 0.00 0.00 178.16 178.75 1xyz h LEU 668 N 0.53 0.00 -0.90 0.10 3.38 -1.88 -2.65 115.31 113.89 1xyz h LEU 668 Ca 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 1xyz h LEU 668 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1xyz h LEU 668 CO -0.10 0.39 0.39 0.44 0.09 0.00 0.00 178.44 179.65 1xyz h ASP 669 N 0.00 1.07 -0.30 -0.43 3.32 -1.73 -2.02 116.42 116.33 1xyz h ASP 669 Ca -0.00 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 1xyz h ASP 669 Cb 0.77 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1xyz h ASP 669 CO 0.05 0.90 -0.15 1.88 -1.72 0.00 0.00 179.24 180.21 1xyz h TYR 670 N 1.17 0.72 -0.36 4.55 0.05 -1.53 -2.21 116.97 119.37 1xyz h TYR 670 Ca 0.28 -0.18 0.04 0.00 0.05 0.00 0.00 58.73 58.92 1xyz h TYR 670 Cb 0.12 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.65 1xyz h TYR 670 CO 0.01 0.86 0.14 0.00 -1.05 0.00 0.00 178.16 178.13 1xyz h ALA 671 N 0.76 0.42 -0.60 3.88 0.00 -1.12 -0.22 119.26 122.38 1xyz h ALA 671 Ca 0.07 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1xyz h ALA 671 Cb 0.67 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1xyz h ALA 671 CO 0.04 -0.24 -0.01 0.74 0.00 0.00 0.00 179.25 179.78 1xyz h PHE 672 N 0.30 1.16 -0.38 0.00 0.04 -1.39 -1.74 116.94 114.93 1xyz h PHE 672 Ca 0.16 -0.20 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 1xyz h PHE 672 Cb 0.11 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 1xyz h PHE 672 CO -0.13 1.02 0.15 0.00 -0.60 0.00 0.00 178.31 178.75 1xyz h ARG 673 N 0.97 0.58 -0.88 1.51 3.08 -0.98 -1.29 114.38 117.36 1xyz h ARG 673 Ca 0.17 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1xyz h ARG 673 Cb 0.57 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1xyz h ARG 673 CO 0.03 0.55 0.49 1.88 -1.07 0.00 0.00 179.97 181.85 1xyz h TYR 674 N 0.47 1.20 -0.38 3.04 0.05 -0.97 -1.93 116.97 118.46 1xyz h TYR 674 Ca 0.13 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 1xyz h TYR 674 Cb 0.20 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 1xyz h TYR 674 CO -0.00 0.83 -0.02 0.00 -1.05 0.00 0.00 178.16 177.92 1xyz h ALA 675 N 1.26 0.51 -0.55 3.88 0.00 -1.12 -1.91 119.26 121.33 1xyz h ALA 675 Ca 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xyz h ALA 675 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xyz h ALA 675 CO -0.05 0.29 0.19 -0.09 0.00 0.00 0.00 179.25 179.60 1xyz h ARG 676 N 0.49 0.80 -0.46 0.00 9.65 -0.92 -2.28 114.38 121.66 1xyz h ARG 676 Ca 0.10 -0.13 -0.14 0.00 -1.10 0.00 0.00 59.98 58.72 1xyz h ARG 676 Cb 0.49 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1xyz h ARG 676 CO 0.02 0.68 -0.25 0.93 2.80 0.00 0.00 179.97 184.15 1xyz h GLU 677 N 0.79 0.97 -0.51 0.20 5.08 -1.17 -2.79 114.58 117.14 1xyz h GLU 677 Ca 0.18 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1xyz h GLU 677 Cb 0.20 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1xyz h GLU 677 CO -0.01 1.10 0.16 0.00 -1.00 0.00 0.00 179.01 179.25 1xyz h ALA 678 N 0.88 0.67 -2.11 3.43 0.00 -0.88 -3.39 119.26 117.85 1xyz h ALA 678 Ca 0.10 -0.19 -0.41 0.00 0.00 0.00 0.00 54.91 54.41 1xyz h ALA 678 Cb 0.83 -0.20 -0.33 0.00 0.00 0.00 0.00 17.79 18.09 1xyz h ALA 678 CO 0.07 0.32 -0.72 0.34 0.00 0.00 0.00 179.25 179.26 1xyz s ASP 679 N -6.08 1.61 0.12 0.00 -1.08 -0.90 -4.53 116.67 105.80 1xyz s ASP 679 Ca -0.13 -1.66 0.10 0.00 -0.52 0.00 0.00 52.55 50.34 1xyz s ASP 679 Cb 0.12 0.34 0.51 0.00 -1.46 0.00 0.00 42.92 42.42 1xyz s ASP 679 CO 0.79 -0.28 1.31 -0.81 0.52 0.00 0.00 175.17 176.70 1xyz n PRO 680 N 4.27 0.06 0.01 4.34 -0.04 -1.06 -2.13 135.00 140.45 1xyz n PRO 680 Ca 0.10 0.51 0.11 0.00 -0.04 0.00 0.00 63.50 64.18 1xyz n PRO 680 Cb 0.43 -1.67 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 1xyz n PRO 680 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xyz n ASP 681 N -1.79 0.66 -4.77 3.54 8.00 -1.26 -4.95 116.55 115.98 1xyz n ASP 681 Ca 0.00 -0.41 -0.38 0.00 0.71 0.00 0.00 54.79 54.71 1xyz n ASP 681 Cb 0.05 0.79 -0.04 0.00 -0.02 0.00 0.00 41.12 41.90 1xyz n ASP 681 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xyz s ALA 682 N -3.12 3.21 -0.14 2.24 0.00 -0.91 -5.01 121.76 118.04 1xyz s ALA 682 Ca 0.06 0.76 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 1xyz s ALA 682 Cb 0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1xyz s ALA 682 CO 0.80 -0.17 0.60 -0.51 0.00 0.00 0.00 175.76 176.49 1xyz s LEU 683 N -2.15 4.23 -0.22 0.00 1.43 -0.86 -4.98 118.68 116.12 1xyz s LEU 683 Ca 0.52 0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1xyz s LEU 683 Cb -0.26 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 1xyz s LEU 683 CO 0.32 -0.15 0.20 -0.76 0.23 0.00 0.00 176.35 176.19 1xyz s LEU 684 N 1.24 4.15 0.12 1.79 1.43 -1.26 -1.22 118.68 124.93 1xyz s LEU 684 Ca 0.30 0.22 0.10 0.00 -1.03 0.00 0.00 54.13 53.73 1xyz s LEU 684 Cb -0.16 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1xyz s LEU 684 CO 0.12 0.07 -0.25 -0.36 0.23 0.00 0.00 176.35 176.17 1xyz s PHE 685 N 0.90 2.37 -0.21 0.29 0.40 0.21 -1.29 117.98 120.65 1xyz s PHE 685 Ca 0.10 -0.35 -0.06 0.00 -0.60 0.00 0.00 56.93 56.02 1xyz s PHE 685 Cb -0.13 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1xyz s PHE 685 CO 0.04 0.33 0.02 -0.47 0.70 0.00 0.00 175.22 175.84 1xyz s TYR 686 N -1.06 3.07 -0.07 0.36 5.04 -1.00 -1.23 117.35 122.47 1xyz s TYR 686 Ca 0.15 -0.38 0.05 0.00 -2.44 0.00 0.00 57.07 54.44 1xyz s TYR 686 Cb -0.10 -2.12 -0.01 0.00 0.35 0.00 0.00 41.96 40.08 1xyz s TYR 686 CO 0.07 -0.21 -0.21 1.21 -1.34 0.00 0.00 175.55 175.06 1xyz s ASN 687 N 1.05 3.39 0.26 4.32 2.47 -0.71 -0.35 114.94 125.37 1xyz s ASN 687 Ca 0.03 -0.43 -0.22 0.00 0.42 0.00 0.00 52.86 52.66 1xyz s ASN 687 Cb -0.14 -1.00 0.03 0.00 -1.45 0.00 0.00 41.25 38.69 1xyz s ASN 687 CO 0.02 0.24 0.76 -0.62 -3.72 0.00 0.00 177.10 173.79 1xyz s ASP 688 N -0.15 -0.24 0.24 -4.21 -1.08 -0.85 -0.61 116.67 109.77 1xyz s ASP 688 Ca -0.03 -0.58 0.09 0.00 -0.52 0.00 0.00 52.55 51.51 1xyz s ASP 688 Cb -0.14 0.69 -0.04 0.00 -1.46 0.00 0.00 42.92 41.97 1xyz s ASP 688 CO 0.04 -1.28 -0.02 -0.72 0.52 0.00 0.00 175.17 173.72 1xyz s TYR 689 N -3.77 2.71 -1.64 -5.34 -0.85 -1.26 -1.71 117.35 105.48 1xyz s TYR 689 Ca 0.11 -0.21 -0.03 0.00 -0.52 0.00 0.00 57.07 56.42 1xyz s TYR 689 Cb -0.05 -1.23 0.00 0.00 0.38 0.00 0.00 41.96 41.06 1xyz s TYR 689 CO 0.06 0.59 0.39 0.09 -1.52 0.00 0.00 175.55 175.17 1xyz n ASN 690 N -0.67 -6.06 -0.06 -0.18 3.02 -1.26 -4.88 115.26 105.18 1xyz n ASN 690 Ca -0.07 -0.19 0.03 0.00 -0.03 0.00 0.00 54.58 54.31 1xyz n ASN 690 Cb 0.58 -4.95 0.04 0.00 -0.61 0.00 0.00 39.78 34.84 1xyz n ASN 690 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1xyz n ILE 691 N -4.34 1.02 0.05 2.41 -5.35 -1.26 -3.96 119.36 107.93 1xyz n ILE 691 Ca -0.16 -1.13 -0.04 0.00 -0.27 0.00 0.00 62.75 61.15 1xyz n ILE 691 Cb 0.65 0.36 -0.09 0.00 -1.74 0.00 0.00 39.64 38.82 1xyz n ILE 691 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1xyz h GLU 692 N 0.00 0.00 0.00 6.28 3.07 -1.92 -3.43 114.58 118.58 1xyz h GLU 692 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xyz h GLU 692 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1xyz h GLU 692 CO 0.00 0.67 0.00 -0.40 -1.40 0.00 0.00 179.01 177.88 1xyz n ASP 693 N -3.18 0.00 -0.65 1.42 5.68 -1.26 -3.99 116.55 114.56 1xyz n ASP 693 Ca -0.05 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.28 1xyz n ASP 693 Cb 0.91 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 41.09 1xyz n ASP 693 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1xyz n LEU 694 N 0.00 2.99 -4.88 -2.12 4.77 -1.26 -4.78 117.00 111.71 1xyz n LEU 694 Ca 0.00 -3.74 -0.30 0.00 -0.03 0.00 0.00 56.01 51.94 1xyz n LEU 694 Cb 0.00 -0.54 0.21 0.00 -2.33 0.00 0.00 43.42 40.76 1xyz n LEU 694 CO 0.00 1.26 0.85 -0.83 -1.33 0.00 0.00 177.39 177.34 1xyz s GLY 695 N -3.00 1.78 0.23 -0.72 0.00 -1.26 -4.74 107.32 99.60 1xyz s GLY 695 Ca 0.39 -1.25 -0.07 0.00 0.00 0.00 0.00 44.72 43.79 1xyz s GLY 695 CO -0.04 -0.42 1.80 -0.56 0.00 0.00 0.00 173.10 173.88 1xyz h PRO 696 N -1.88 0.66 -0.42 2.90 0.13 -1.94 -0.60 132.00 130.85 1xyz h PRO 696 Ca -0.44 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1xyz h PRO 696 Cb 1.23 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1xyz h PRO 696 CO 0.33 0.44 -0.23 -0.22 -0.23 0.00 0.00 178.00 178.09 1xyz h LYS 697 N 0.68 0.85 -0.52 0.86 3.64 -1.82 -0.85 116.57 119.41 1xyz h LYS 697 Ca 0.35 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1xyz h LYS 697 Cb 0.31 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1xyz h LYS 697 CO -0.24 0.99 0.25 1.03 -2.27 0.00 0.00 179.45 179.22 1xyz h SER 698 N 0.74 0.68 -0.46 4.20 0.87 -1.55 -1.60 113.55 116.43 1xyz h SER 698 Ca 0.10 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 1xyz h SER 698 Cb 0.77 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1xyz h SER 698 CO 0.06 0.62 0.02 0.78 -0.53 0.00 0.00 176.83 177.79 1xyz h ASN 699 N 0.70 0.83 -0.53 6.23 2.35 -0.88 -1.10 115.58 123.19 1xyz h ASN 699 Ca 0.18 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1xyz h ASN 699 Cb 0.12 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1xyz h ASN 699 CO -0.02 0.88 0.15 0.00 -1.65 0.00 0.00 177.43 176.79 1xyz h ALA 700 N 1.21 0.69 -0.37 -0.83 0.00 -0.81 -1.83 119.26 117.33 1xyz h ALA 700 Ca 0.16 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1xyz h ALA 700 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xyz h ALA 700 CO 0.02 0.37 -0.18 0.28 0.00 0.00 0.00 179.25 179.74 1xyz h VAL 701 N 0.73 1.28 -0.25 0.00 2.07 -1.13 -1.46 116.25 117.49 1xyz h VAL 701 Ca 0.17 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1xyz h VAL 701 Cb 0.30 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1xyz h VAL 701 CO -0.00 0.43 0.16 0.15 0.02 0.00 0.00 177.57 178.33 1xyz h PHE 702 N 0.56 0.32 -0.34 1.57 3.57 -1.14 -1.04 116.94 120.44 1xyz h PHE 702 Ca 0.08 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1xyz h PHE 702 Cb 0.73 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1xyz h PHE 702 CO 0.06 0.22 -0.11 -0.91 -2.23 0.00 0.00 178.31 175.34 1xyz h ASN 703 N 0.33 0.57 -0.11 0.41 2.35 -1.31 0.06 115.58 117.88 1xyz h ASN 703 Ca 0.09 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1xyz h ASN 703 Cb -0.02 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1xyz h ASN 703 CO -0.02 0.71 0.05 -0.03 -1.65 0.00 0.00 177.43 176.49 1xyz h MET 704 N 0.54 0.16 -0.46 0.81 4.05 -0.88 -0.95 114.93 118.20 1xyz h MET 704 Ca 0.10 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.39 1xyz h MET 704 Cb 0.51 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1xyz h MET 704 CO 0.03 0.24 -0.11 0.82 0.23 0.00 0.00 176.91 178.13 1xyz h ILE 705 N 0.04 1.27 -0.51 1.77 2.04 -0.98 -0.88 117.51 120.27 1xyz h ILE 705 Ca 0.04 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.68 1xyz h ILE 705 Cb 0.14 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1xyz h ILE 705 CO -0.00 0.42 0.33 0.50 0.00 0.00 0.00 178.15 179.40 1xyz h LYS 706 N 0.74 0.65 -0.52 2.37 3.64 -0.91 -1.84 116.57 120.70 1xyz h LYS 706 Ca 0.12 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1xyz h LYS 706 Cb 0.66 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1xyz h LYS 706 CO 0.05 0.43 0.11 1.03 -2.27 0.00 0.00 179.45 178.79 1xyz h SER 707 N 0.67 0.80 -0.37 4.20 0.87 -0.96 -1.81 113.55 116.94 1xyz h SER 707 Ca 0.19 -0.24 0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1xyz h SER 707 Cb -0.05 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.66 1xyz h SER 707 CO -0.06 0.84 0.15 0.24 -0.53 0.00 0.00 176.83 177.47 1xyz h MET 708 N 0.73 0.30 -0.60 2.24 2.86 -0.91 -1.94 114.93 117.62 1xyz h MET 708 Ca 0.16 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1xyz h MET 708 Cb 0.36 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1xyz h MET 708 CO 0.01 0.20 0.20 0.87 1.06 0.00 0.00 176.91 179.24 1xyz h LYS 709 N 0.31 0.90 0.00 1.72 1.57 -1.16 -1.35 116.57 118.56 1xyz h LYS 709 Ca 0.17 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xyz h LYS 709 Cb 0.12 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1xyz h LYS 709 CO -0.15 0.77 0.00 0.93 -0.57 0.00 0.00 179.45 180.42 1xyz h GLU 710 N 0.88 0.00 -0.55 3.15 5.08 -0.61 -2.15 114.58 120.38 1xyz h GLU 710 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1xyz h GLU 710 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1xyz h GLU 710 CO -0.01 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.54 1xyz n ARG 711 N -2.58 3.32 -1.07 2.33 1.74 -0.71 -4.97 116.66 114.71 1xyz n ARG 711 Ca 0.01 -2.68 -0.03 0.00 -0.77 0.00 0.00 57.85 54.38 1xyz n ARG 711 Cb 0.20 -1.71 -0.01 0.00 -1.02 0.00 0.00 32.46 29.92 1xyz n ARG 711 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xyz n GLY 712 N 0.86 0.57 3.71 -0.13 0.00 -0.81 -5.01 105.19 104.38 1xyz n GLY 712 Ca 0.22 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1xyz n GLY 712 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyz s VAL 713 N -1.95 4.76 -0.60 1.61 1.01 -0.59 -4.98 120.40 119.66 1xyz s VAL 713 Ca 0.00 1.99 -0.27 0.00 0.00 0.00 0.00 61.98 63.70 1xyz s VAL 713 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1xyz s VAL 713 CO 0.00 0.16 1.54 -2.16 0.00 0.00 0.00 175.10 174.64 1xyz s PRO 714 N 0.98 3.07 -0.03 2.72 0.04 -1.26 -4.26 135.00 136.25 1xyz s PRO 714 Ca 0.53 0.41 0.01 0.00 0.04 0.00 0.00 61.00 61.98 1xyz s PRO 714 Cb -0.22 -4.22 0.03 0.00 0.04 0.00 0.00 34.50 30.12 1xyz s PRO 714 CO 0.28 -2.22 -0.01 -1.50 0.04 0.00 0.00 177.00 173.59 1xyz s ILE 715 N 6.97 0.28 -0.20 0.56 2.07 -1.26 -4.72 121.20 124.90 1xyz s ILE 715 Ca 0.55 0.03 0.10 0.00 -1.41 0.00 0.00 60.65 59.91 1xyz s ILE 715 Cb -0.11 -0.36 -0.19 0.00 0.13 0.00 0.00 42.46 41.93 1xyz s ILE 715 CO 0.22 0.17 -0.05 0.47 -1.91 0.00 0.00 174.94 173.84 1xyz n ASP 716 N 4.15 1.35 -4.08 4.50 8.00 -0.41 -4.99 116.55 125.07 1xyz n ASP 716 Ca -0.25 -0.05 -0.10 0.00 0.71 0.00 0.00 54.79 55.09 1xyz n ASP 716 Cb 0.50 0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 41.91 1xyz n ASP 716 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1xyz s GLY 717 N -5.59 0.90 -0.07 0.44 0.00 -0.45 -2.05 107.32 100.49 1xyz s GLY 717 Ca -0.18 -1.23 0.05 0.00 0.00 0.00 0.00 44.72 43.35 1xyz s GLY 717 CO 0.63 -1.02 -0.21 0.54 0.00 0.00 0.00 173.10 173.05 1xyz s VAL 718 N -4.06 1.78 -0.31 1.40 0.11 -0.13 -2.37 120.40 116.81 1xyz s VAL 718 Ca 0.28 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 58.33 1xyz s VAL 718 Cb 0.04 -1.53 -0.02 0.00 -1.53 0.00 0.00 36.38 33.33 1xyz s VAL 718 CO 0.08 0.50 0.20 -0.83 -3.33 0.00 0.00 175.10 171.71 1xyz s GLY 719 N 0.14 1.92 -0.41 6.54 0.00 0.53 -1.77 107.32 114.27 1xyz s GLY 719 Ca -0.10 -1.30 -0.22 0.00 0.00 0.00 0.00 44.72 43.11 1xyz s GLY 719 CO 0.05 0.71 0.70 -1.36 0.00 0.00 0.00 173.10 173.20 1xyz s PHE 720 N 1.70 3.07 0.36 1.90 0.40 0.17 -2.02 117.98 123.57 1xyz s PHE 720 Ca 0.06 0.20 0.05 0.00 -0.60 0.00 0.00 56.93 56.64 1xyz s PHE 720 Cb -0.17 -3.38 0.69 0.00 0.51 0.00 0.00 43.02 40.67 1xyz s PHE 720 CO 0.09 -0.82 1.94 1.96 0.70 0.00 0.00 175.22 179.10 1xyz h GLN 721 N 8.74 0.55 -5.44 0.44 4.20 -1.62 -0.62 115.11 121.36 1xyz h GLN 721 Ca -0.25 -0.08 -0.33 0.00 0.06 0.00 0.00 58.65 58.04 1xyz h GLN 721 Cb 1.10 -0.10 0.15 0.00 0.30 0.00 0.00 27.48 28.92 1xyz h GLN 721 CO 0.90 0.49 -0.68 0.00 -0.67 0.00 0.00 178.83 178.86 1xyz s HIS 723 N -3.32 3.28 0.27 0.00 3.76 -1.26 -2.15 115.29 115.86 1xyz s HIS 723 Ca 0.22 -1.59 0.06 0.00 -0.15 0.00 0.00 55.06 53.60 1xyz s HIS 723 Cb -0.10 -4.21 -0.03 0.00 1.11 0.00 0.00 32.58 29.35 1xyz s HIS 723 CO 0.68 -1.40 0.32 -0.06 -0.85 0.00 0.00 174.74 173.43 1xyz s PHE 724 N 2.12 3.22 -0.09 1.40 0.08 -0.68 -4.94 117.98 119.09 1xyz s PHE 724 Ca 0.32 -0.12 -0.05 0.00 0.12 0.00 0.00 56.93 57.20 1xyz s PHE 724 Cb -0.05 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.74 1xyz s PHE 724 CO -0.08 0.36 0.11 0.42 -0.10 0.00 0.00 175.22 175.93 1xyz s ILE 725 N -2.10 5.18 0.29 0.64 1.01 -1.26 -1.51 121.20 123.44 1xyz s ILE 725 Ca 0.36 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.75 1xyz s ILE 725 Cb -0.08 -3.27 -0.13 0.00 0.01 0.00 0.00 42.46 38.99 1xyz s ILE 725 CO 0.28 0.57 1.29 -3.20 0.00 0.00 0.00 174.94 173.88 1xyz n ASN 726 N 1.86 2.49 -0.00 3.58 5.15 -0.10 -3.84 115.26 124.39 1xyz n ASN 726 Ca -0.18 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 54.97 1xyz n ASN 726 Cb 0.54 -1.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.37 1xyz n ASN 726 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xyz n GLY 727 N 1.45 1.77 3.72 8.20 0.00 -1.26 -5.02 105.19 114.05 1xyz n GLY 727 Ca 0.09 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1xyz n GLY 727 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xyz n MET 728 N -0.87 2.52 -2.11 1.61 2.81 -1.25 -4.99 117.12 114.84 1xyz n MET 728 Ca 0.00 0.90 -0.30 0.00 -1.81 0.00 0.00 57.70 56.48 1xyz n MET 728 Cb 0.03 -2.64 0.00 0.00 -0.71 0.00 0.00 33.22 29.90 1xyz n MET 728 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xyz s SER 729 N 0.45 6.26 0.40 7.83 1.04 -1.26 -4.93 113.70 123.49 1xyz s SER 729 Ca 0.65 1.29 0.11 0.00 0.48 0.00 0.00 55.95 58.49 1xyz s SER 729 Cb -0.54 -2.41 0.83 0.00 0.10 0.00 0.00 66.02 64.00 1xyz s SER 729 CO 0.49 -0.77 1.93 -0.65 0.98 0.00 0.00 173.24 175.21 1xyz h PRO 730 N -0.10 0.17 -0.30 4.02 0.11 -1.99 -1.56 132.00 132.35 1xyz h PRO 730 Ca -0.45 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1xyz h PRO 730 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1xyz h PRO 730 CO 0.62 0.33 -0.38 0.93 -0.21 0.00 0.00 178.00 179.29 1xyz h GLU 731 N 0.16 0.70 -0.01 1.05 3.07 -1.98 0.11 114.58 117.67 1xyz h GLU 731 Ca 0.03 -0.35 -0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1xyz h GLU 731 Cb 0.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1xyz h GLU 731 CO 0.02 0.96 0.00 -0.92 -1.40 0.00 0.00 179.01 177.67 1xyz h TYR 732 N 0.58 0.02 -0.92 4.33 3.20 -1.82 -1.68 116.97 120.68 1xyz h TYR 732 Ca 0.05 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1xyz h TYR 732 Cb 0.91 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 1xyz h TYR 732 CO 0.04 0.28 0.60 -0.07 -1.64 0.00 0.00 178.16 177.38 1xyz h LEU 733 N -0.24 1.01 -1.19 2.82 3.38 -1.18 -0.86 115.31 119.04 1xyz h LEU 733 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1xyz h LEU 733 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1xyz h LEU 733 CO 0.00 0.70 0.10 0.00 0.09 0.00 0.00 178.44 179.33 1xyz h ALA 734 N 1.46 1.35 -0.07 1.53 0.00 -0.52 -2.58 119.26 120.42 1xyz h ALA 734 Ca 0.36 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1xyz h ALA 734 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xyz h ALA 734 CO -0.10 0.46 -0.45 0.66 0.00 0.00 0.00 179.25 179.82 1xyz h SER 735 N 0.64 0.17 -0.34 0.00 4.64 -0.21 -2.40 113.55 116.05 1xyz h SER 735 Ca 0.15 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 1xyz h SER 735 Cb 0.26 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1xyz h SER 735 CO -0.00 0.60 0.02 0.40 -0.87 0.00 0.00 176.83 176.98 1xyz h ILE 736 N 0.14 1.25 -0.52 0.95 2.04 -1.08 -1.05 117.51 119.24 1xyz h ILE 736 Ca 0.01 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 64.95 1xyz h ILE 736 Cb 0.85 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1xyz h ILE 736 CO 0.07 0.31 0.34 -0.78 0.00 0.00 0.00 178.15 178.08 1xyz h ASP 737 N 0.40 0.59 -0.58 1.72 3.58 -1.30 -1.24 116.42 119.58 1xyz h ASP 737 Ca 0.10 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 1xyz h ASP 737 Cb 0.42 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1xyz h ASP 737 CO 0.01 0.42 0.13 1.56 -2.88 0.00 0.00 179.24 178.49 1xyz h GLN 738 N 0.69 0.97 -0.74 0.28 4.20 -1.28 -2.14 115.11 117.09 1xyz h GLN 738 Ca 0.19 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1xyz h GLN 738 Cb -0.07 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 1xyz h GLN 738 CO -0.05 0.88 0.31 -0.97 -0.67 0.00 0.00 178.83 178.33 1xyz h ASN 739 N 0.92 1.01 -0.89 1.46 -1.24 -0.70 -2.10 115.58 114.05 1xyz h ASN 739 Ca 0.19 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 1xyz h ASN 739 Cb 0.36 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.10 1xyz h ASN 739 CO 0.00 0.90 0.50 0.40 -1.29 0.00 0.00 177.43 177.94 1xyz h ILE 740 N 1.06 1.25 -0.61 2.57 2.04 -0.81 -2.39 117.51 120.63 1xyz h ILE 740 Ca 0.25 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 1xyz h ILE 740 Cb 0.19 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 1xyz h ILE 740 CO -0.02 0.28 0.09 0.11 0.00 0.00 0.00 178.15 178.61 1xyz h LYS 741 N 1.24 0.99 -0.03 2.37 1.57 -1.03 -1.90 116.57 119.78 1xyz h LYS 741 Ca 0.31 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1xyz h LYS 741 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1xyz h LYS 741 CO -0.05 0.92 -0.42 0.07 -0.57 0.00 0.00 179.45 179.40 1xyz h ARG 742 N 0.93 0.07 -0.44 3.15 0.11 -0.91 -2.22 114.38 115.08 1xyz h ARG 742 Ca 0.19 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 60.12 1xyz h ARG 742 Cb 0.42 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 1xyz h ARG 742 CO 0.01 0.48 -0.20 1.88 0.10 0.00 0.00 179.97 182.24 1xyz h TYR 743 N 0.06 0.98 -0.57 4.08 0.05 -1.05 -2.72 116.97 117.81 1xyz h TYR 743 Ca 0.00 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.55 1xyz h TYR 743 Cb 0.77 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 1xyz h TYR 743 CO 0.00 0.99 0.32 0.00 -1.05 0.00 0.00 178.16 178.42 1xyz h ALA 744 N 1.01 1.50 0.00 3.88 0.00 -0.89 -1.08 119.26 123.68 1xyz h ALA 744 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xyz h ALA 744 Cb 0.74 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xyz h ALA 744 CO 0.06 0.42 -0.07 0.93 0.00 0.00 0.00 179.25 180.60 1xyz h GLU 745 N 0.78 0.00 -0.55 0.00 5.08 -1.09 -1.00 114.58 117.80 1xyz h GLU 745 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1xyz h GLU 745 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xyz h GLU 745 CO -0.03 0.07 0.00 0.44 -1.00 0.00 0.00 179.01 178.48 1xyz n ILE 746 N -3.34 1.43 -2.05 3.13 -5.35 -0.71 -4.98 119.36 107.49 1xyz n ILE 746 Ca -0.01 -1.16 -0.10 0.00 -0.27 0.00 0.00 62.75 61.21 1xyz n ILE 746 Cb 0.23 0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 38.41 1xyz n ILE 746 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xyz n GLY 747 N 0.93 0.15 3.62 3.28 0.00 -0.38 -5.03 105.19 107.76 1xyz n GLY 747 Ca 0.21 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1xyz n GLY 747 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyz s VAL 748 N -2.46 4.19 0.29 1.61 1.01 -0.49 -4.98 120.40 119.56 1xyz s VAL 748 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1xyz s VAL 748 Cb 0.00 -2.78 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 1xyz s VAL 748 CO 0.00 0.56 0.58 0.27 0.00 0.00 0.00 175.10 176.51 1xyz s ILE 749 N -0.46 4.97 -0.06 2.22 -4.36 -0.87 -3.87 121.20 118.77 1xyz s ILE 749 Ca 0.08 0.23 0.06 0.00 -0.26 0.00 0.00 60.65 60.76 1xyz s ILE 749 Cb -0.12 -3.70 -0.01 0.00 1.25 0.00 0.00 42.46 39.88 1xyz s ILE 749 CO 0.02 -0.28 -0.24 -0.69 0.24 0.00 0.00 174.94 173.99 1xyz s VAL 750 N -2.05 2.16 -0.02 8.37 1.01 0.27 -0.96 120.40 129.18 1xyz s VAL 750 Ca 0.46 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1xyz s VAL 750 Cb -0.11 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1xyz s VAL 750 CO 0.28 0.57 -0.24 -0.44 0.00 0.00 0.00 175.10 175.27 1xyz s SER 751 N -0.14 2.78 -0.33 3.32 0.01 -0.73 -3.83 113.70 114.77 1xyz s SER 751 Ca -0.04 -0.43 -0.20 0.00 1.31 0.00 0.00 55.95 56.59 1xyz s SER 751 Cb -0.14 -0.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.78 1xyz s SER 751 CO 0.04 0.29 0.60 -0.36 0.41 0.00 0.00 173.24 174.22 1xyz s PHE 752 N -0.56 3.18 -0.05 2.43 0.08 -0.55 -0.65 117.98 121.86 1xyz s PHE 752 Ca 0.09 0.41 0.14 0.00 0.12 0.00 0.00 56.93 57.69 1xyz s PHE 752 Cb -0.09 -3.03 -0.21 0.00 -0.57 0.00 0.00 43.02 39.12 1xyz s PHE 752 CO -0.01 -0.54 0.25 0.25 -0.10 0.00 0.00 175.22 175.07 1xyz n THR 753 N 5.47 0.25 -2.72 0.64 -2.24 -0.24 -0.89 114.28 114.56 1xyz n THR 753 Ca -0.02 -0.40 -0.05 0.00 -2.27 0.00 0.00 64.05 61.31 1xyz n THR 753 Cb 0.49 -0.05 0.07 0.00 -2.10 0.00 0.00 70.33 68.73 1xyz n THR 753 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xyz n GLU 754 N -2.14 1.36 -1.71 -0.78 1.02 -0.56 -4.61 120.64 113.22 1xyz n GLU 754 Ca -0.08 -2.78 -0.43 0.00 -0.02 0.00 0.00 57.16 53.85 1xyz n GLU 754 Cb 0.53 -0.90 -0.03 0.00 -0.02 0.00 0.00 31.44 31.02 1xyz n GLU 754 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1xyz n ILE 755 N -0.53 0.06 -3.65 -3.67 5.41 -0.45 -3.96 119.36 112.56 1xyz n ILE 755 Ca 0.02 -0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.61 1xyz n ILE 755 Cb 0.83 -1.94 -0.08 0.00 -0.71 0.00 0.00 39.64 37.74 1xyz n ILE 755 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1xyz s ASP 756 N 1.38 -0.44 -0.37 4.38 1.47 -0.92 -0.74 116.67 121.44 1xyz s ASP 756 Ca 0.77 0.50 0.01 0.00 1.18 0.00 0.00 52.55 55.01 1xyz s ASP 756 Cb -0.53 0.53 0.11 0.00 -0.34 0.00 0.00 42.92 42.69 1xyz s ASP 756 CO 0.34 -0.47 0.14 -0.63 0.68 0.00 0.00 175.17 175.22 1xyz s ILE 757 N -1.01 1.48 0.25 2.11 1.01 -0.97 -1.69 121.20 122.38 1xyz s ILE 757 Ca -0.10 -2.08 -0.30 0.00 0.00 0.00 0.00 60.65 58.17 1xyz s ILE 757 Cb -0.03 -2.08 -0.09 0.00 0.01 0.00 0.00 42.46 40.27 1xyz s ILE 757 CO 0.06 -0.73 0.99 0.00 0.00 0.00 0.00 174.94 175.27 1xyz s ARG 758 N 0.97 4.78 -0.13 2.79 1.70 -0.57 -4.24 118.95 124.25 1xyz s ARG 758 Ca 0.13 1.59 0.00 0.00 -0.47 0.00 0.00 55.73 56.98 1xyz s ARG 758 Cb -0.20 -3.25 -0.01 0.00 -0.57 0.00 0.00 34.95 30.91 1xyz s ARG 758 CO -0.12 0.41 -0.14 0.42 -1.08 0.00 0.00 175.30 174.79 1xyz s ILE 759 N -1.15 3.00 0.24 4.99 1.01 -0.68 -0.93 121.20 127.68 1xyz s ILE 759 Ca 0.42 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 60.08 1xyz s ILE 759 Cb -0.28 -2.26 -0.12 0.00 0.01 0.00 0.00 42.46 39.81 1xyz s ILE 759 CO 0.35 0.53 1.65 -2.65 0.00 0.00 0.00 174.94 174.81 1xyz n PRO 760 N 3.54 2.68 0.20 2.79 -0.02 -1.26 -1.25 135.00 141.68 1xyz n PRO 760 Ca -0.18 0.96 0.18 0.00 -2.02 0.00 0.00 63.50 62.44 1xyz n PRO 760 Cb 0.53 -2.77 0.83 0.00 -0.02 0.00 0.00 33.50 32.07 1xyz n PRO 760 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1xyz h GLN 761 N 5.77 0.00 0.00 -0.52 5.75 -0.60 -2.05 115.11 123.46 1xyz h GLN 761 Ca -0.45 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.01 1xyz h GLN 761 Cb 1.22 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.76 1xyz h GLN 761 CO 0.88 0.00 -0.72 0.66 -2.65 0.00 0.00 178.83 177.00 1xyz h SER 762 N 0.00 0.00 -4.15 -0.69 4.64 -1.89 -3.48 113.55 107.98 1xyz h SER 762 Ca 0.10 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.88 1xyz h SER 762 Cb 0.68 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.92 1xyz h SER 762 CO -0.00 0.16 0.44 -1.61 -0.87 0.00 0.00 176.83 174.95 1xyz s GLU 763 N -3.20 2.29 -0.07 4.77 2.02 -0.77 -4.94 118.70 118.79 1xyz s GLU 763 Ca 0.02 1.88 -0.30 0.00 0.02 0.00 0.00 54.97 56.59 1xyz s GLU 763 Cb 0.08 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.44 1xyz s GLU 763 CO 0.75 -1.75 1.25 1.21 0.02 0.00 0.00 175.26 176.74 1xyz s ASN 764 N -1.77 6.99 0.15 -0.19 2.47 -1.26 -4.95 114.94 116.39 1xyz s ASN 764 Ca 0.78 1.84 -0.21 0.00 0.42 0.00 0.00 52.86 55.68 1xyz s ASN 764 Cb -0.32 -2.55 0.04 0.00 -1.45 0.00 0.00 41.25 36.96 1xyz s ASN 764 CO 0.43 -0.65 1.64 -0.65 -3.72 0.00 0.00 177.10 174.15 1xyz h PRO 765 N 7.71 -0.18 -0.47 0.43 0.11 -1.94 -0.91 132.00 136.74 1xyz h PRO 765 Ca -0.33 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.87 1xyz h PRO 765 Cb 1.15 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1xyz h PRO 765 CO 0.90 -0.12 0.11 0.00 -0.21 0.00 0.00 178.00 178.69 1xyz h ALA 766 N 0.94 0.54 0.07 -0.75 0.00 -2.00 0.05 119.26 118.12 1xyz h ALA 766 Ca 0.15 0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.88 1xyz h ALA 766 Cb 0.41 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1xyz h ALA 766 CO -0.38 -0.29 -1.32 1.79 0.00 0.00 0.00 179.25 179.05 1xyz h THR 767 N 0.26 1.37 -0.73 0.00 1.35 -1.97 -3.26 112.91 109.93 1xyz h THR 767 Ca 0.23 -3.04 0.01 0.00 -0.55 0.00 0.00 66.41 63.06 1xyz h THR 767 Cb 0.29 2.80 -0.04 0.00 -1.73 0.00 0.00 68.15 69.47 1xyz h THR 767 CO -0.29 0.85 0.48 0.00 -0.25 0.00 0.00 175.52 176.31 1xyz h ALA 768 N 0.71 1.48 -0.05 6.62 0.00 -0.90 -2.15 119.26 124.98 1xyz h ALA 768 Ca -0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1xyz h ALA 768 Cb 1.93 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1xyz h ALA 768 CO 0.16 0.48 -0.20 0.74 0.00 0.00 0.00 179.25 180.43 1xyz h PHE 769 N 0.98 0.09 -0.24 0.00 -1.00 -1.03 -1.24 116.94 114.51 1xyz h PHE 769 Ca 0.27 -0.01 -0.17 0.00 2.81 0.00 0.00 57.97 60.87 1xyz h PHE 769 Cb -0.11 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 39.43 1xyz h PHE 769 CO -0.00 0.28 -0.52 1.96 -1.61 0.00 0.00 178.31 178.43 1xyz h GLN 770 N 0.08 0.77 -0.26 1.51 4.20 -1.44 -1.55 115.11 118.42 1xyz h GLN 770 Ca 0.01 -0.51 -0.02 0.00 0.06 0.00 0.00 58.65 58.20 1xyz h GLN 770 Cb 0.40 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1xyz h GLN 770 CO 0.03 1.13 0.09 0.28 -0.67 0.00 0.00 178.83 179.69 1xyz h VAL 771 N 0.50 1.19 -0.72 -0.54 2.07 -1.19 -2.29 116.25 115.28 1xyz h VAL 771 Ca 0.00 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1xyz h VAL 771 Cb 1.13 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 1xyz h VAL 771 CO 0.11 0.20 0.41 -0.61 0.02 0.00 0.00 177.57 177.70 1xyz h GLN 772 N 0.26 0.72 -0.75 1.57 4.15 -1.22 -0.84 115.11 119.00 1xyz h GLN 772 Ca 0.09 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1xyz h GLN 772 Cb 0.23 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 1xyz h GLN 772 CO -0.00 0.47 0.49 0.00 -1.93 0.00 0.00 178.83 177.87 1xyz h ALA 773 N 1.37 0.96 -0.27 3.38 0.00 -1.07 -0.53 119.26 123.10 1xyz h ALA 773 Ca 0.32 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1xyz h ALA 773 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xyz h ALA 773 CO -0.19 0.36 -0.27 -0.91 0.00 0.00 0.00 179.25 178.23 1xyz h ASN 774 N 1.01 0.55 -0.32 0.00 -0.26 -0.80 -0.98 115.58 114.77 1xyz h ASN 774 Ca 0.28 -0.20 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 1xyz h ASN 774 Cb -0.10 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.00 1xyz h ASN 774 CO -0.07 0.80 -0.02 0.78 -1.06 0.00 0.00 177.43 177.87 1xyz h ASN 775 N 0.47 0.56 -0.74 5.81 -0.26 -0.68 -1.02 115.58 119.71 1xyz h ASN 775 Ca 0.06 -0.32 -0.00 0.00 -0.56 0.00 0.00 56.30 55.48 1xyz h ASN 775 Cb 0.72 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.79 1xyz h ASN 775 CO 0.06 0.75 0.45 1.88 -1.06 0.00 0.00 177.43 179.50 1xyz h TYR 776 N 0.36 0.98 -0.32 1.19 0.05 -0.95 -1.81 116.97 116.47 1xyz h TYR 776 Ca 0.09 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 1xyz h TYR 776 Cb 0.47 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1xyz h TYR 776 CO 0.04 0.66 0.19 -0.22 -1.05 0.00 0.00 178.16 177.78 1xyz h LYS 777 N 1.01 0.44 -0.74 4.88 3.64 -0.97 -1.94 116.57 122.89 1xyz h LYS 777 Ca 0.27 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1xyz h LYS 777 Cb -0.03 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1xyz h LYS 777 CO -0.05 0.34 0.31 0.93 -2.27 0.00 0.00 179.45 178.72 1xyz h GLU 778 N 0.42 1.08 -0.44 1.90 4.39 -0.98 -1.40 114.58 119.55 1xyz h GLU 778 Ca 0.12 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1xyz h GLU 778 Cb 0.02 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 1xyz h GLU 778 CO -0.02 0.87 0.23 -0.07 -1.16 0.00 0.00 179.01 178.85 1xyz h LEU 779 N 1.07 0.57 -0.92 1.33 3.38 -1.06 -1.94 115.31 117.73 1xyz h LEU 779 Ca 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1xyz h LEU 779 Cb 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1xyz h LEU 779 CO -0.02 0.52 0.52 -0.03 0.09 0.00 0.00 178.44 179.51 1xyz h MET 780 N 0.57 1.27 -0.41 1.13 4.05 -1.09 -1.74 114.93 118.72 1xyz h MET 780 Ca 0.15 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 1xyz h MET 780 Cb 0.09 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 1xyz h MET 780 CO -0.02 0.92 0.14 0.87 0.23 0.00 0.00 176.91 179.04 1xyz h LYS 781 N 1.28 0.58 -0.51 0.39 1.57 -0.87 -0.32 116.57 118.70 1xyz h LYS 781 Ca 0.33 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1xyz h LYS 781 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1xyz h LYS 781 CO -0.06 0.51 -0.19 0.82 -0.57 0.00 0.00 179.45 179.96 1xyz h ILE 782 N 0.58 1.27 -0.25 1.86 2.04 -0.81 -1.93 117.51 120.26 1xyz h ILE 782 Ca 0.14 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.64 1xyz h ILE 782 Cb 0.16 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1xyz h ILE 782 CO -0.01 0.47 0.13 0.00 0.00 0.00 0.00 178.15 178.74 1xyz h LEU 784 N 0.29 0.00 0.00 0.00 3.38 -0.95 -2.89 115.31 115.14 1xyz h LEU 784 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xyz h LEU 784 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1xyz h LEU 784 CO -0.01 0.14 -0.31 0.00 0.09 0.00 0.00 178.44 178.34 1xyz n ALA 785 N -2.39 2.88 -3.66 1.53 0.00 -0.74 -4.78 120.51 113.35 1xyz n ALA 785 Ca -0.02 -0.21 -0.35 0.00 0.00 0.00 0.00 53.44 52.86 1xyz n ALA 785 Cb 0.22 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 1xyz n ALA 785 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1xyz s ASN 786 N -3.46 4.36 0.59 0.00 0.01 -1.09 -5.01 114.94 110.34 1xyz s ASN 786 Ca 0.11 -0.80 0.31 0.00 -0.71 0.00 0.00 52.86 51.76 1xyz s ASN 786 Cb 0.16 -1.69 1.85 0.00 0.41 0.00 0.00 41.25 41.99 1xyz s ASN 786 CO 0.64 -0.12 2.26 -0.65 -1.51 0.00 0.00 177.10 177.72 1xyz h PRO 787 N 8.04 0.00 -0.53 -0.60 0.11 -1.86 -2.33 132.00 134.83 1xyz h PRO 787 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1xyz h PRO 787 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xyz h PRO 787 CO 0.58 0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 1xyz n ASN 788 N -3.78 2.85 -3.74 -2.05 6.94 -1.26 -4.76 115.26 109.46 1xyz n ASN 788 Ca -0.03 -2.15 -0.29 0.00 -0.02 0.00 0.00 54.58 52.09 1xyz n ASN 788 Cb 0.09 -0.39 -0.15 0.00 -2.36 0.00 0.00 39.78 36.97 1xyz n ASN 788 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xyz n ASN 790 N 4.88 0.88 -4.02 0.00 3.02 -1.25 -4.68 115.26 114.09 1xyz n ASN 790 Ca -0.04 -2.26 -0.28 0.00 -0.03 0.00 0.00 54.58 51.97 1xyz n ASN 790 Cb 0.43 -0.24 -0.17 0.00 -0.61 0.00 0.00 39.78 39.19 1xyz n ASN 790 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xyz s THR 791 N -1.00 1.40 -0.40 3.41 2.01 -1.26 -1.48 115.64 118.32 1xyz s THR 791 Ca 0.10 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1xyz s THR 791 Cb 0.09 -1.31 0.12 0.00 0.01 0.00 0.00 72.50 71.41 1xyz s THR 791 CO 0.01 0.42 0.17 0.12 -0.69 0.00 0.00 174.62 174.65 1xyz s PHE 792 N 1.19 2.41 -0.13 4.92 2.19 -0.44 -1.49 117.98 126.63 1xyz s PHE 792 Ca -0.03 -2.46 -0.00 0.00 0.33 0.00 0.00 56.93 54.77 1xyz s PHE 792 Cb -0.14 -2.17 -0.02 0.00 -1.31 0.00 0.00 43.02 39.38 1xyz s PHE 792 CO -0.04 -0.83 -0.12 0.08 1.83 0.00 0.00 175.22 176.13 1xyz s VAL 793 N 0.70 3.15 0.06 3.12 1.01 -0.06 -1.19 120.40 127.18 1xyz s VAL 793 Ca 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1xyz s VAL 793 Cb -0.22 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1xyz s VAL 793 CO -0.08 0.52 0.20 -0.04 0.00 0.00 0.00 175.10 175.70 1xyz s MET 794 N 0.33 3.38 -1.40 2.72 -1.94 -0.46 -1.34 119.30 120.59 1xyz s MET 794 Ca -0.10 -0.46 -0.09 0.00 -1.71 0.00 0.00 55.69 53.33 1xyz s MET 794 Cb -0.16 -3.01 0.07 0.00 2.01 0.00 0.00 34.83 33.75 1xyz s MET 794 CO 0.05 0.61 2.35 1.87 -0.01 0.00 0.00 175.02 179.89 1xyz n TRP 795 N 0.33 2.78 0.00 -0.03 -0.00 0.09 -2.42 117.44 118.18 1xyz n TRP 795 Ca -0.06 -2.90 0.00 0.00 -0.00 0.00 0.00 57.50 54.55 1xyz n TRP 795 Cb 0.51 -2.12 0.00 0.00 -0.00 0.00 0.00 31.31 29.70 1xyz n TRP 795 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1xyz n GLY 796 N 2.78 1.68 0.00 5.87 0.00 -1.26 -4.86 105.19 109.41 1xyz n GLY 796 Ca 0.58 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1xyz n GLY 796 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1xyz n PHE 797 N -0.37 0.00 -5.02 1.61 1.16 -1.26 -4.81 117.46 108.77 1xyz n PHE 797 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.30 1xyz n PHE 797 Cb 0.00 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 37.71 1xyz n PHE 797 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1xyz s THR 798 N -0.50 1.70 -0.03 1.97 -1.32 -1.26 -1.08 115.64 115.13 1xyz s THR 798 Ca 0.00 -0.87 0.20 0.00 -1.21 0.00 0.00 61.69 59.81 1xyz s THR 798 Cb 0.00 -1.45 0.20 0.00 -1.51 0.00 0.00 72.50 69.74 1xyz s THR 798 CO 0.00 0.48 1.56 0.44 -2.21 0.00 0.00 174.62 174.89 1xyz h ASP 799 N 6.15 0.00 -0.44 8.08 3.32 -1.02 -2.24 116.42 130.27 1xyz h ASP 799 Ca -0.32 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 1xyz h ASP 799 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1xyz h ASP 799 CO 0.47 0.00 0.22 0.50 -1.72 0.00 0.00 179.24 178.71 1xyz h LYS 800 N 0.00 0.67 -4.28 3.56 3.64 -1.83 -3.40 116.57 114.93 1xyz h LYS 800 Ca 0.00 -0.08 -0.62 0.00 -1.27 0.00 0.00 60.65 58.68 1xyz h LYS 800 Cb 0.28 -0.13 -0.39 0.00 -0.41 0.00 0.00 32.23 31.58 1xyz h LYS 800 CO 0.00 0.53 -0.77 0.71 -2.27 0.00 0.00 179.45 177.66 1xyz s TYR 801 N -5.38 2.58 -0.21 1.91 2.02 -0.84 -5.09 117.35 112.34 1xyz s TYR 801 Ca -0.09 -2.05 -0.23 0.00 -0.37 0.00 0.00 57.07 54.33 1xyz s TYR 801 Cb 0.17 -1.92 0.06 0.00 -0.40 0.00 0.00 41.96 39.87 1xyz s TYR 801 CO 0.76 -0.84 0.65 -0.08 -1.57 0.00 0.00 175.55 174.47 1xyz s THR 802 N 1.32 0.00 -0.98 -0.71 -1.32 -1.26 -4.70 115.64 107.99 1xyz s THR 802 Ca 0.01 -0.01 0.25 0.00 -1.21 0.00 0.00 61.69 60.72 1xyz s THR 802 Cb -0.19 -0.91 0.21 0.00 -1.51 0.00 0.00 72.50 70.10 1xyz s THR 802 CO -0.10 -0.01 1.79 -2.67 -2.21 0.00 0.00 174.62 171.42 1xyz n TRP 803 N 2.46 0.05 -0.03 9.09 4.27 -1.26 -4.40 117.44 127.62 1xyz n TRP 803 Ca -0.15 0.01 -0.08 0.00 -3.89 0.00 0.00 57.50 53.39 1xyz n TRP 803 Cb 0.56 -0.52 -0.02 0.00 -1.36 0.00 0.00 31.31 29.96 1xyz n TRP 803 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 1xyz h ILE 804 N 0.00 0.47 -0.39 -1.67 1.08 -1.95 -2.77 117.51 112.27 1xyz h ILE 804 Ca 0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1xyz h ILE 804 Cb 0.44 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1xyz h ILE 804 CO 0.00 0.00 0.27 -0.65 -0.69 0.00 0.00 178.15 177.08 1xyz h PRO 805 N -0.22 0.26 0.00 2.37 0.11 -1.77 0.19 132.00 132.94 1xyz h PRO 805 Ca 0.12 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 1xyz h PRO 805 Cb 0.41 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1xyz h PRO 805 CO -0.34 0.17 -0.42 0.78 -0.21 0.00 0.00 178.00 177.99 1xyz h GLY 806 N 0.27 0.00 0.00 -0.55 0.00 -1.80 -3.06 103.07 97.93 1xyz h GLY 806 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.16 1xyz h GLY 806 CO -0.03 0.00 -2.30 2.41 0.00 0.00 0.00 176.54 176.62 1xyz n THR 807 N -3.33 1.30 -3.76 4.70 -1.04 -0.81 -4.67 114.28 106.67 1xyz n THR 807 Ca 0.01 -0.77 -0.28 0.00 -2.04 0.00 0.00 64.05 60.98 1xyz n THR 807 Cb 0.63 -0.60 -0.11 0.00 -1.82 0.00 0.00 70.33 68.43 1xyz n THR 807 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1xyz n PHE 808 N -2.75 2.44 -1.76 -1.42 3.72 0.60 -5.09 117.46 113.20 1xyz n PHE 808 Ca -0.32 -4.10 -0.41 0.00 -0.05 0.00 0.00 57.45 52.56 1xyz n PHE 808 Cb 1.09 -0.45 -0.01 0.00 -0.94 0.00 0.00 39.48 39.18 1xyz n PHE 808 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1xyz n PRO 809 N 2.02 2.68 0.00 -1.08 -0.04 -1.16 -1.97 135.00 135.45 1xyz n PRO 809 Ca 0.23 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.63 1xyz n PRO 809 Cb 0.38 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 1xyz n PRO 809 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xyz n GLY 810 N 1.13 0.13 3.50 0.55 0.00 -1.26 -5.07 105.19 104.17 1xyz n GLY 810 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 1xyz n GLY 810 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyz s TYR 811 N -2.00 2.38 0.00 1.61 1.51 -0.83 0.19 117.35 120.20 1xyz s TYR 811 Ca 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1xyz s TYR 811 Cb 0.00 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.79 1xyz s TYR 811 CO 0.00 0.66 0.00 0.41 -1.11 0.00 0.00 175.55 175.51 1xyz n GLY 812 N -0.49 1.05 4.07 0.71 0.00 -0.38 -4.01 105.19 106.14 1xyz n GLY 812 Ca -0.07 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1xyz n GLY 812 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xyz n ASN 813 N -0.04 -3.60 -0.47 1.61 5.03 -1.26 -1.69 115.26 114.84 1xyz n ASN 813 Ca 0.00 -1.21 0.13 0.00 0.87 0.00 0.00 54.58 54.37 1xyz n ASN 813 Cb 0.00 -1.45 0.38 0.00 -1.02 0.00 0.00 39.78 37.69 1xyz n ASN 813 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1xyz n PRO 814 N -4.75 1.45 -3.06 3.52 -0.05 -1.26 -4.58 135.00 126.27 1xyz n PRO 814 Ca -0.11 -0.94 -0.16 0.00 -0.05 0.00 0.00 63.50 62.24 1xyz n PRO 814 Cb 0.52 -1.48 -0.02 0.00 -0.05 0.00 0.00 33.50 32.47 1xyz n PRO 814 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 1xyz n LEU 815 N 0.05 0.00 0.02 1.53 4.77 -1.26 -2.30 117.00 119.80 1xyz n LEU 815 Ca 0.15 -1.62 0.12 0.00 -0.03 0.00 0.00 56.01 54.64 1xyz n LEU 815 Cb 0.39 0.07 0.20 0.00 -2.33 0.00 0.00 43.42 41.76 1xyz n LEU 815 CO 0.20 -0.35 0.37 2.30 -1.33 0.00 0.00 177.39 178.58 1xyz n ILE 816 N -0.97 0.12 -4.74 -0.08 -5.35 -1.20 -4.81 119.36 102.33 1xyz n ILE 816 Ca -0.06 -0.10 -0.28 0.00 -0.27 0.00 0.00 62.75 62.04 1xyz n ILE 816 Cb 0.34 0.15 -0.14 0.00 -1.74 0.00 0.00 39.64 38.25 1xyz n ILE 816 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1xyz s TYR 817 N -3.07 2.05 0.71 4.28 1.51 -0.24 -0.92 117.35 121.67 1xyz s TYR 817 Ca 0.09 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.64 1xyz s TYR 817 Cb 0.16 -1.22 0.16 0.00 -0.11 0.00 0.00 41.96 40.96 1xyz s TYR 817 CO 0.72 0.12 0.97 -0.40 -1.11 0.00 0.00 175.55 175.85 1xyz n ASP 818 N 1.76 0.08 0.21 2.29 5.68 -0.27 -0.65 116.55 125.65 1xyz n ASP 818 Ca -0.17 -1.36 0.15 0.00 -0.50 0.00 0.00 54.79 52.91 1xyz n ASP 818 Cb 0.53 -0.74 0.71 0.00 -1.14 0.00 0.00 41.12 40.47 1xyz n ASP 818 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1xyz h SER 819 N -1.27 0.00 -0.60 -1.12 0.02 -1.89 -2.23 113.55 106.46 1xyz h SER 819 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1xyz h SER 819 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1xyz h SER 819 CO 0.22 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.50 1xyz n ASN 820 N -2.57 4.01 -1.17 3.07 4.13 -1.26 -4.73 115.26 116.75 1xyz n ASN 820 Ca -0.00 -2.21 -0.12 0.00 1.68 0.00 0.00 54.58 53.92 1xyz n ASN 820 Cb 0.15 -0.47 -0.03 0.00 -1.54 0.00 0.00 39.78 37.89 1xyz n ASN 820 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1xyz n TYR 821 N 1.11 -0.28 -3.27 3.10 4.01 -0.84 -5.00 117.16 115.99 1xyz n TYR 821 Ca 0.22 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.58 1xyz n TYR 821 Cb 0.69 -2.51 -0.06 0.00 -0.31 0.00 0.00 39.34 37.15 1xyz n TYR 821 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1xyz s ASN 822 N -2.67 6.82 0.27 7.72 0.01 -1.26 -4.83 114.94 121.01 1xyz s ASN 822 Ca 0.00 0.97 -0.30 0.00 -0.71 0.00 0.00 52.86 52.83 1xyz s ASN 822 Cb 0.00 -2.32 -0.10 0.00 0.41 0.00 0.00 41.25 39.24 1xyz s ASN 822 CO 0.00 0.05 1.40 -2.84 -1.51 0.00 0.00 177.10 174.20 1xyz s PRO 823 N 0.24 4.29 0.71 -0.60 0.02 -1.26 -1.11 135.00 137.27 1xyz s PRO 823 Ca 0.29 2.29 -0.04 0.00 0.02 0.00 0.00 61.00 63.55 1xyz s PRO 823 Cb -0.16 -3.10 0.09 0.00 0.02 0.00 0.00 34.50 31.35 1xyz s PRO 823 CO 0.13 -0.36 1.00 0.15 -0.33 0.00 0.00 177.00 177.59 1xyz s LYS 824 N -0.81 1.93 0.49 5.54 1.02 -0.10 -4.85 119.74 122.96 1xyz s LYS 824 Ca 0.56 -0.63 0.20 0.00 0.02 0.00 0.00 55.97 56.13 1xyz s LYS 824 Cb -0.41 -2.24 1.24 0.00 -0.52 0.00 0.00 37.83 35.90 1xyz s LYS 824 CO 0.47 -1.33 1.99 -1.35 -0.92 0.00 0.00 175.35 174.20 1xyz h PRO 825 N -0.57 0.16 -0.77 -1.68 0.11 -1.86 -1.98 132.00 125.42 1xyz h PRO 825 Ca -0.42 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.76 1xyz h PRO 825 Cb 1.29 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 1xyz h PRO 825 CO 0.50 0.11 0.50 0.00 -0.21 0.00 0.00 178.00 178.90 1xyz h ALA 826 N 1.73 1.71 -0.15 -0.75 0.00 -1.85 -1.56 119.26 118.38 1xyz h ALA 826 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xyz h ALA 826 Cb 0.82 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xyz h ALA 826 CO -0.04 0.16 0.08 -0.92 0.00 0.00 0.00 179.25 178.53 1xyz h TYR 827 N 0.77 0.20 -0.19 0.00 5.03 -1.51 -1.12 116.97 120.16 1xyz h TYR 827 Ca 0.34 -0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.53 1xyz h TYR 827 Cb 0.32 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1xyz h TYR 827 CO -0.00 0.20 -0.37 -0.91 -1.32 0.00 0.00 178.16 175.76 1xyz h ASN 828 N 0.15 0.43 -0.69 -2.11 2.35 -1.57 -2.41 115.58 111.72 1xyz h ASN 828 Ca 0.05 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1xyz h ASN 828 Cb 0.06 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1xyz h ASN 828 CO -0.01 0.76 0.31 0.00 -1.65 0.00 0.00 177.43 176.85 1xyz h ALA 829 N 1.26 0.90 -0.34 -0.83 0.00 -0.97 0.20 119.26 119.47 1xyz h ALA 829 Ca 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xyz h ALA 829 Cb 0.81 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xyz h ALA 829 CO 0.07 0.48 0.04 0.82 0.00 0.00 0.00 179.25 180.66 1xyz h ILE 830 N 0.97 1.24 -0.85 0.00 2.04 -1.07 -2.05 117.51 117.80 1xyz h ILE 830 Ca 0.24 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.27 1xyz h ILE 830 Cb 0.15 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1xyz h ILE 830 CO -0.03 0.29 0.54 0.50 0.00 0.00 0.00 178.15 179.45 1xyz h LYS 831 N 0.41 1.00 -0.62 2.37 3.64 -1.15 -1.95 116.57 120.26 1xyz h LYS 831 Ca 0.10 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1xyz h LYS 831 Cb 0.38 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1xyz h LYS 831 CO 0.01 0.66 0.25 0.93 -2.27 0.00 0.00 179.45 179.02 1xyz h GLU 832 N 1.03 0.93 -0.96 1.90 5.08 -0.73 -2.12 114.58 119.71 1xyz h GLU 832 Ca 0.35 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1xyz h GLU 832 Cb 0.07 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1xyz h GLU 832 CO -0.14 0.79 0.62 0.00 -1.00 0.00 0.00 179.01 179.28 1xyz h ALA 833 N 1.10 1.29 0.00 3.43 0.00 -0.93 -2.58 119.26 121.56 1xyz h ALA 833 Ca 0.21 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1xyz h ALA 833 Cb 0.21 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xyz h ALA 833 CO -0.02 0.65 -0.26 -0.07 0.00 0.00 0.00 179.25 179.55 1xyz h LEU 834 N 1.31 0.00 -0.54 0.00 3.38 -0.96 -3.48 115.31 115.02 1xyz h LEU 834 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1xyz h LEU 834 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1xyz h LEU 834 CO -0.07 0.26 0.00 0.23 0.09 0.00 0.00 178.44 178.95