#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 2.68 0.29 5.41 0.00 -1.26 -4.94 121.76 123.93 1xyz s ALA 517 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.12 1xyz s ALA 517 Cb 0.00 -3.18 0.61 0.00 0.00 0.00 0.00 23.12 20.55 1xyz s ALA 517 CO 0.00 -1.17 1.80 -0.07 0.00 0.00 0.00 175.76 176.32 1xyz h LEU 518 N -0.56 0.81 -1.72 0.00 3.38 -1.88 -1.89 115.31 113.45 1xyz h LEU 518 Ca -0.44 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1xyz h LEU 518 Cb 1.21 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1xyz h LEU 518 CO 0.57 0.37 0.14 0.08 0.09 0.00 0.00 178.44 179.68 1xyz h ARG 519 N 0.85 0.32 -0.41 1.13 0.11 -1.57 -1.45 114.38 113.36 1xyz h ARG 519 Ca 0.52 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 60.48 1xyz h ARG 519 Cb 0.66 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.66 1xyz h ARG 519 CO -0.32 0.24 -0.13 -0.44 0.10 0.00 0.00 179.97 179.42 1xyz h ASP 520 N 0.33 0.82 0.10 0.08 3.32 -1.65 -0.15 116.42 119.27 1xyz h ASP 520 Ca 0.09 -0.37 -0.16 0.00 0.02 0.00 0.00 57.03 56.60 1xyz h ASP 520 Cb -0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1xyz h ASP 520 CO -0.02 1.01 -0.59 1.88 -1.72 0.00 0.00 179.24 179.80 1xyz h TYR 521 N 0.62 0.63 -0.25 4.55 0.05 -1.49 -2.69 116.97 118.40 1xyz h TYR 521 Ca 0.10 -0.24 -0.03 0.00 0.05 0.00 0.00 58.73 58.61 1xyz h TYR 521 Cb 0.66 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1xyz h TYR 521 CO 0.05 0.96 0.03 0.00 -1.05 0.00 0.00 178.16 178.15 1xyz h ALA 522 N 0.98 0.33 -0.95 3.88 0.00 -1.17 -2.84 119.26 119.50 1xyz h ALA 522 Ca -0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1xyz h ALA 522 Cb 1.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1xyz h ALA 522 CO 0.11 0.03 0.62 1.49 0.00 0.00 0.00 179.25 181.49 1xyz h GLU 523 N 0.22 1.18 -0.02 0.00 4.57 -1.03 -1.20 114.58 118.30 1xyz h GLU 523 Ca 0.07 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1xyz h GLU 523 Cb 0.35 -0.27 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1xyz h GLU 523 CO 0.01 0.78 0.01 0.00 -1.18 0.00 0.00 179.01 178.63 1xyz h ALA 524 N 1.38 1.86 -0.34 2.92 0.00 -1.29 -1.57 119.26 122.22 1xyz h ALA 524 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xyz h ALA 524 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xyz h ALA 524 CO -0.11 -0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.66 1xyz n ARG 525 N -4.30 2.45 -1.39 0.00 5.12 -0.54 -4.97 116.66 113.04 1xyz n ARG 525 Ca -0.03 -2.18 -0.04 0.00 -1.93 0.00 0.00 57.85 53.68 1xyz n ARG 525 Cb 0.10 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 29.89 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 1.47 0.54 3.37 -0.13 0.00 -0.59 -5.05 105.19 104.80 1xyz n GLY 526 Ca 0.19 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 1xyz n GLY 526 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xyz s ILE 527 N -2.15 2.00 -0.15 -0.61 -4.36 -0.71 -4.93 121.20 110.28 1xyz s ILE 527 Ca 0.00 -2.09 -0.05 0.00 -0.26 0.00 0.00 60.65 58.24 1xyz s ILE 527 Cb 0.00 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 1xyz s ILE 527 CO 0.00 -0.37 0.03 -0.54 0.24 0.00 0.00 174.94 174.31 1xyz s LYS 528 N -3.11 3.68 -0.11 0.37 -0.14 -0.81 -3.58 119.74 116.05 1xyz s LYS 528 Ca 0.21 -0.38 0.03 0.00 -1.36 0.00 0.00 55.97 54.47 1xyz s LYS 528 Cb -0.05 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 1xyz s LYS 528 CO 0.09 0.39 -0.22 -1.50 -0.76 0.00 0.00 175.35 173.34 1xyz s ILE 529 N 0.03 2.16 0.00 2.17 2.07 -1.26 -1.13 121.20 125.24 1xyz s ILE 529 Ca 0.04 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.31 1xyz s ILE 529 Cb -0.12 -1.84 0.00 0.00 0.13 0.00 0.00 42.46 40.62 1xyz s ILE 529 CO 0.01 0.55 0.00 0.61 -1.91 0.00 0.00 174.94 174.21 1xyz n GLY 530 N 3.68 3.52 3.41 1.50 0.00 -0.28 -0.92 105.19 116.09 1xyz n GLY 530 Ca -0.19 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.25 0.02 0.54 2.61 -1.32 -1.03 -1.45 115.64 112.76 1xyz s THR 531 Ca 0.00 -0.18 -0.15 0.00 -1.21 0.00 0.00 61.69 60.15 1xyz s THR 531 Cb 0.00 -1.01 -0.07 0.00 -1.51 0.00 0.00 72.50 69.91 1xyz s THR 531 CO 0.00 -0.10 1.00 0.00 -2.21 0.00 0.00 174.62 173.31 1xyz s VAL 533 N -2.72 4.70 0.70 0.00 1.01 0.01 -4.33 120.40 119.78 1xyz s VAL 533 Ca 0.58 -0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.42 1xyz s VAL 533 Cb -0.10 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1xyz s VAL 533 CO 0.36 0.31 1.08 0.20 0.00 0.00 0.00 175.10 177.05 1xyz s ASN 534 N 1.60 5.32 0.47 3.32 0.01 -1.26 -3.43 114.94 120.98 1xyz s ASN 534 Ca 0.06 1.01 0.25 0.00 -0.71 0.00 0.00 52.86 53.47 1xyz s ASN 534 Cb -0.15 -1.79 1.29 0.00 0.41 0.00 0.00 41.25 41.01 1xyz s ASN 534 CO 0.06 -1.39 1.84 0.10 -1.51 0.00 0.00 177.10 176.21 1xyz h TYR 535 N -0.64 0.31 -0.38 2.20 -0.00 -2.01 -2.53 116.97 113.92 1xyz h TYR 535 Ca -0.45 0.01 0.11 0.00 0.00 0.00 0.00 58.73 58.40 1xyz h TYR 535 Cb 1.27 -0.09 -0.02 0.00 0.00 0.00 0.00 36.73 37.89 1xyz h TYR 535 CO 0.47 0.06 0.28 -1.35 -0.00 0.00 0.00 178.16 177.61 1xyz h PRO 536 N 0.21 0.00 -0.80 0.10 0.11 -1.97 -1.70 132.00 127.95 1xyz h PRO 536 Ca 0.49 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.66 1xyz h PRO 536 Cb 1.57 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.62 1xyz h PRO 536 CO -0.12 0.00 0.48 0.35 -0.21 0.00 0.00 178.00 178.50 1xyz h PHE 537 N 0.00 0.89 -0.04 0.65 3.57 -1.81 -1.32 116.94 118.89 1xyz h PHE 537 Ca 0.18 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.52 1xyz h PHE 537 Cb 0.73 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1xyz h PHE 537 CO 0.00 0.45 -0.78 1.88 -2.23 0.00 0.00 178.31 177.64 1xyz h TYR 538 N 0.89 0.39 -0.43 0.41 0.05 -1.51 -3.32 116.97 113.45 1xyz h TYR 538 Ca 0.35 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1xyz h TYR 538 Cb 0.16 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.85 1xyz h TYR 538 CO -0.04 0.95 0.00 0.27 -1.05 0.00 0.00 178.16 178.28 1xyz n ASN 539 N -3.77 3.26 -4.10 3.88 2.04 -1.20 -5.02 115.26 110.36 1xyz n ASN 539 Ca -0.04 -2.08 -0.29 0.00 -0.44 0.00 0.00 54.58 51.73 1xyz n ASN 539 Cb 0.74 -0.31 -0.05 0.00 -2.53 0.00 0.00 39.78 37.62 1xyz n ASN 539 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1xyz n ASN 540 N 0.70 -0.29 -0.66 0.53 4.13 -0.50 -4.91 115.26 114.25 1xyz n ASN 540 Ca 0.15 -1.14 0.12 0.00 1.68 0.00 0.00 54.58 55.39 1xyz n ASN 540 Cb 0.51 -2.37 0.06 0.00 -1.54 0.00 0.00 39.78 36.44 1xyz n ASN 540 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1xyz n SER 541 N -2.87 2.36 -3.39 6.41 3.41 -1.22 -4.71 113.62 113.61 1xyz n SER 541 Ca -0.29 -1.68 -0.24 0.00 -0.26 0.00 0.00 58.87 56.40 1xyz n SER 541 Cb 0.68 0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 64.81 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 -2.29 1.91 0.50 4.04 -1.08 -1.26 -5.01 116.67 113.47 1xyz s ASP 542 Ca 0.23 -2.15 0.17 0.00 -0.52 0.00 0.00 52.55 50.27 1xyz s ASP 542 Cb 0.19 -0.00 1.22 0.00 -1.46 0.00 0.00 42.92 42.87 1xyz s ASP 542 CO 0.46 -0.25 2.08 1.55 0.52 0.00 0.00 175.17 179.53 1xyz h PRO 543 N 6.67 0.11 -0.45 4.34 0.13 -1.95 -1.74 132.00 139.11 1xyz h PRO 543 Ca 0.10 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.11 1xyz h PRO 543 Cb 0.99 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1xyz h PRO 543 CO 0.25 0.07 -0.16 1.15 -0.23 0.00 0.00 178.00 179.09 1xyz h THR 544 N 0.12 1.27 -0.28 1.56 2.02 -2.00 -2.09 112.91 113.52 1xyz h THR 544 Ca 0.11 -1.30 0.06 0.00 0.77 0.00 0.00 66.41 66.05 1xyz h THR 544 Cb 0.29 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 1xyz h THR 544 CO -0.01 0.44 -0.12 0.22 0.37 0.00 0.00 175.52 176.42 1xyz h TYR 545 N 0.75 -0.30 -0.80 3.16 3.20 -1.75 -2.44 116.97 118.79 1xyz h TYR 545 Ca 0.11 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1xyz h TYR 545 Cb 0.72 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1xyz h TYR 545 CO 0.05 -0.19 0.36 -0.91 -1.64 0.00 0.00 178.16 175.83 1xyz h ASN 546 N -0.08 1.06 0.18 -2.11 4.21 -1.35 -1.99 115.58 115.51 1xyz h ASN 546 Ca 0.14 -0.14 -0.12 0.00 1.21 0.00 0.00 56.30 57.40 1xyz h ASN 546 Cb 0.30 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1xyz h ASN 546 CO -0.33 0.91 -0.44 0.77 -1.29 0.00 0.00 177.43 177.06 1xyz h SER 547 N 1.15 0.34 -0.12 5.81 4.64 -0.93 -1.94 113.55 122.49 1xyz h SER 547 Ca 0.27 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 1xyz h SER 547 Cb 0.15 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1xyz h SER 547 CO -0.03 0.73 -0.30 0.40 -0.87 0.00 0.00 176.83 176.76 1xyz h ILE 548 N 0.26 1.38 -0.28 0.95 2.04 -1.32 -2.99 117.51 117.55 1xyz h ILE 548 Ca 0.02 -1.60 0.06 0.00 1.00 0.00 0.00 64.86 64.34 1xyz h ILE 548 Cb 0.88 2.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.99 1xyz h ILE 548 CO 0.07 0.47 -0.12 0.25 0.00 0.00 0.00 178.15 178.82 1xyz h LEU 549 N 0.01 -0.41 -0.89 1.44 5.85 -1.28 -0.73 115.31 119.30 1xyz h LEU 549 Ca -0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1xyz h LEU 549 Cb 0.91 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1xyz h LEU 549 CO 0.07 -0.15 0.00 0.06 -0.34 0.00 0.00 178.44 178.07 1xyz h GLN 550 N -0.08 0.00 0.04 1.25 3.07 -1.39 -3.28 115.11 114.72 1xyz h GLN 550 Ca 0.14 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.52 1xyz h GLN 550 Cb 0.29 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.81 1xyz h GLN 550 CO -0.33 0.00 -2.06 -2.13 0.09 0.00 0.00 178.83 174.40 1xyz n ARG 551 N -2.65 0.65 0.10 0.06 0.63 -0.82 -4.73 116.66 109.91 1xyz n ARG 551 Ca 0.02 0.31 0.11 0.00 -0.92 0.00 0.00 57.85 57.37 1xyz n ARG 551 Cb 0.30 -1.63 -0.01 0.00 0.45 0.00 0.00 32.46 31.58 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 0.61 -4.25 -0.14 -0.58 -0.34 -4.74 120.64 107.38 1xyz n GLU 552 Ca -0.40 0.12 -0.28 0.00 -0.42 0.00 0.00 57.16 56.17 1xyz n GLU 552 Cb 0.91 -1.82 -0.09 0.00 -0.57 0.00 0.00 31.44 29.87 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 -3.36 2.71 -1.04 -0.32 0.08 -1.23 -1.54 117.98 113.27 1xyz s PHE 553 Ca -0.01 -0.18 0.10 0.00 0.12 0.00 0.00 56.93 56.96 1xyz s PHE 553 Cb 0.10 -1.37 0.18 0.00 -0.57 0.00 0.00 43.02 41.35 1xyz s PHE 553 CO 0.79 0.47 1.02 -1.13 -0.10 0.00 0.00 175.22 176.28 1xyz n SER 554 N 0.33 2.33 -3.72 1.36 3.41 -0.09 -4.87 113.62 112.37 1xyz n SER 554 Ca -0.12 -1.71 -0.13 0.00 -0.26 0.00 0.00 58.87 56.65 1xyz n SER 554 Cb 0.54 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.92 0.54 0.15 4.33 -2.45 -1.02 -1.16 119.30 118.77 1xyz s MET 555 Ca 0.16 0.64 0.05 0.00 -1.25 0.00 0.00 55.69 55.29 1xyz s MET 555 Cb 0.10 0.26 -0.04 0.00 1.25 0.00 0.00 34.83 36.40 1xyz s MET 555 CO 0.13 -0.06 -0.12 0.14 1.05 0.00 0.00 175.02 176.16 1xyz s VAL 556 N 0.24 1.31 -0.03 10.11 -7.23 -0.67 -2.47 120.40 121.66 1xyz s VAL 556 Ca -0.00 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.07 1xyz s VAL 556 Cb -0.03 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 35.09 1xyz s VAL 556 CO 0.01 -0.66 0.16 -0.69 -0.31 0.00 0.00 175.10 173.60 1xyz s VAL 557 N -3.05 0.04 -0.08 1.32 1.01 -0.99 -1.85 120.40 116.81 1xyz s VAL 557 Ca 0.16 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 1xyz s VAL 557 Cb 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1xyz s VAL 557 CO 0.02 -0.20 1.02 0.00 0.00 0.00 0.00 175.10 175.94 1xyz h GLU 559 N 7.07 0.95 0.00 0.00 4.81 -1.91 -3.42 114.58 122.08 1xyz h GLU 559 Ca -0.33 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 1xyz h GLU 559 Cb 1.16 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1xyz h GLU 559 CO 0.84 0.94 0.00 0.09 -0.73 0.00 0.00 179.01 180.15 1xyz n ASN 560 N -4.30 0.00 0.00 1.04 3.02 -1.26 -4.91 115.26 108.85 1xyz n ASN 560 Ca 0.02 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.65 1xyz n ASN 560 Cb 0.31 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 39.83 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 0.00 0.03 -0.12 3.52 4.71 -1.26 -2.90 120.64 124.62 1xyz n GLU 561 Ca 0.00 0.21 0.07 0.00 -0.01 0.00 0.00 57.16 57.43 1xyz n GLU 561 Cb 0.00 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.06 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 -1.47 2.04 -1.59 3.49 2.81 -1.26 -4.47 117.12 116.67 1xyz n MET 562 Ca 0.04 -2.34 -0.30 0.00 -1.81 0.00 0.00 57.70 53.30 1xyz n MET 562 Cb 0.18 -1.42 0.09 0.00 -0.71 0.00 0.00 33.22 31.35 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 -2.32 2.10 0.16 0.03 1.02 -1.14 -2.78 119.74 116.81 1xyz s LYS 563 Ca 0.26 0.59 -0.16 0.00 0.02 0.00 0.00 55.97 56.67 1xyz s LYS 563 Cb 0.21 -1.92 0.07 0.00 -0.52 0.00 0.00 37.83 35.67 1xyz s LYS 563 CO 0.04 -1.60 1.72 0.35 -0.92 0.00 0.00 175.35 174.95 1xyz h PHE 564 N -1.07 0.08 0.00 3.18 3.04 -1.72 -1.88 116.94 118.57 1xyz h PHE 564 Ca -0.47 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.47 1xyz h PHE 564 Cb 1.27 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.79 1xyz h PHE 564 CO 0.45 -0.00 -0.14 0.38 -2.02 0.00 0.00 178.31 176.99 1xyz h ASP 565 N 0.17 0.00 0.40 0.41 2.03 -1.76 -1.22 116.42 116.44 1xyz h ASP 565 Ca 0.17 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 56.15 1xyz h ASP 565 Cb 0.20 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.72 1xyz h ASP 565 CO -0.24 0.14 -1.45 0.00 -1.03 0.00 0.00 179.24 176.66 1xyz h ALA 566 N 1.86 0.02 0.14 4.15 0.00 -1.75 -3.19 119.26 120.51 1xyz h ALA 566 Ca -0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 54.91 53.68 1xyz h ALA 566 Cb 0.25 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xyz h ALA 566 CO 0.02 0.89 -1.33 -0.07 0.00 0.00 0.00 179.25 178.76 1xyz h LEU 567 N 0.11 0.46 -6.15 0.00 3.38 -1.19 -3.41 115.31 108.51 1xyz h LEU 567 Ca -0.23 -0.52 -0.58 0.00 0.09 0.00 0.00 57.88 56.64 1xyz h LEU 567 Cb 2.08 -0.15 -0.40 0.00 0.09 0.00 0.00 40.66 42.28 1xyz h LEU 567 CO 0.22 1.41 -0.91 1.67 0.09 0.00 0.00 178.44 180.93 1xyz n GLN 568 N -3.53 1.28 0.26 1.13 7.27 -0.48 -0.86 117.38 122.45 1xyz n GLN 568 Ca -0.11 -3.73 0.12 0.00 0.07 0.00 0.00 57.00 53.35 1xyz n GLN 568 Cb 1.04 -1.64 0.72 0.00 2.41 0.00 0.00 30.24 32.77 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 4.29 0.00 -5.01 3.69 0.13 -1.61 -3.42 132.00 130.06 1xyz h PRO 569 Ca 0.13 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.92 1xyz h PRO 569 Cb 0.81 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.74 1xyz h PRO 569 CO 0.58 0.12 -0.75 1.03 -0.23 0.00 0.00 178.00 178.75 1xyz s ARG 570 N -4.28 0.77 0.04 0.86 0.52 -1.26 -4.80 118.95 110.81 1xyz s ARG 570 Ca -0.03 -1.01 -0.32 0.00 -0.52 0.00 0.00 55.73 53.85 1xyz s ARG 570 Cb 0.14 -0.59 -0.11 0.00 0.52 0.00 0.00 34.95 34.91 1xyz s ARG 570 CO 0.59 0.11 1.85 0.94 0.02 0.00 0.00 175.30 178.81 1xyz n GLN 571 N 0.99 2.51 -1.65 3.54 7.27 -1.26 -1.61 117.38 127.17 1xyz n GLN 571 Ca -0.19 0.92 -0.17 0.00 0.07 0.00 0.00 57.00 57.63 1xyz n GLN 571 Cb 0.56 -2.79 -0.06 0.00 2.41 0.00 0.00 30.24 30.36 1xyz n GLN 571 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1xyz n ASN 572 N 6.06 -5.01 -4.17 1.69 3.02 -1.26 -4.99 115.26 110.60 1xyz n ASN 572 Ca 0.20 0.33 -0.34 0.00 -0.03 0.00 0.00 54.58 54.74 1xyz n ASN 572 Cb 0.34 -4.01 -0.15 0.00 -0.61 0.00 0.00 39.78 35.35 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 -2.67 2.66 -0.18 2.41 1.01 -0.63 -5.11 120.40 117.89 1xyz s VAL 573 Ca 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 1xyz s VAL 573 Cb 0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1xyz s VAL 573 CO 0.00 0.19 -0.00 -0.36 0.00 0.00 0.00 175.10 174.92 1xyz s PHE 574 N 1.28 3.08 -0.40 5.22 0.40 -1.26 -3.63 117.98 122.67 1xyz s PHE 574 Ca -0.01 -0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 56.01 1xyz s PHE 574 Cb -0.17 -2.03 0.09 0.00 0.51 0.00 0.00 43.02 41.43 1xyz s PHE 574 CO -0.05 -0.05 0.21 0.34 0.70 0.00 0.00 175.22 176.36 1xyz s ASP 575 N 0.57 5.37 0.00 1.36 -1.08 -0.04 -4.92 116.67 117.93 1xyz s ASP 575 Ca -0.01 -1.74 0.23 0.00 -0.52 0.00 0.00 52.55 50.52 1xyz s ASP 575 Cb -0.14 -1.88 0.47 0.00 -1.46 0.00 0.00 42.92 39.91 1xyz s ASP 575 CO 0.02 -0.51 1.43 0.49 0.52 0.00 0.00 175.17 177.12 1xyz n PHE 576 N 4.73 0.56 0.02 -5.34 3.72 -1.26 -4.55 117.46 115.35 1xyz n PHE 576 Ca -0.07 -0.28 -0.11 0.00 -0.05 0.00 0.00 57.45 56.95 1xyz n PHE 576 Cb 0.42 0.00 -0.04 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 4.39 -0.83 -0.22 4.37 4.64 -1.97 -0.45 113.55 123.49 1xyz h SER 577 Ca 0.00 0.12 -0.20 0.00 -0.47 0.00 0.00 61.79 61.24 1xyz h SER 577 Cb 0.97 0.35 0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1xyz h SER 577 CO 0.00 -0.33 -0.65 0.11 -0.87 0.00 0.00 176.83 175.09 1xyz h LYS 578 N -0.37 0.82 -0.74 4.77 1.57 -1.91 -2.37 116.57 118.35 1xyz h LYS 578 Ca 0.09 -0.60 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 1xyz h LYS 578 Cb 0.49 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1xyz h LYS 578 CO -0.29 1.22 0.32 0.78 -0.57 0.00 0.00 179.45 180.91 1xyz h GLY 579 N 0.58 1.17 2.00 3.86 0.00 -1.80 -1.45 103.07 107.44 1xyz h GLY 579 Ca -0.02 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 1xyz h GLY 579 CO 0.14 0.58 -0.46 -0.55 0.00 0.00 0.00 176.54 176.25 1xyz h ASP 580 N 1.05 0.00 -0.28 0.19 5.19 -1.07 -1.47 116.42 120.03 1xyz h ASP 580 Ca 0.25 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.60 1xyz h ASP 580 Cb 0.17 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1xyz h ASP 580 CO -0.03 0.46 -0.06 -0.61 -3.12 0.00 0.00 179.24 175.89 1xyz h GLN 581 N 0.00 0.54 -0.63 3.56 4.15 -0.85 -2.13 115.11 119.76 1xyz h GLN 581 Ca -0.00 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 59.13 1xyz h GLN 581 Cb 0.81 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 1xyz h GLN 581 CO 0.06 0.73 0.05 1.25 -1.93 0.00 0.00 178.83 178.99 1xyz h LEU 582 N 0.30 1.04 -0.60 -2.39 5.85 -1.11 -2.69 115.31 115.70 1xyz h LEU 582 Ca 0.07 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1xyz h LEU 582 Cb 0.53 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1xyz h LEU 582 CO 0.03 1.06 0.39 0.25 -0.34 0.00 0.00 178.44 179.83 1xyz h LEU 583 N 0.98 0.68 -0.75 2.25 5.85 -1.18 -0.23 115.31 122.91 1xyz h LEU 583 Ca 0.18 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1xyz h LEU 583 Cb 0.50 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1xyz h LEU 583 CO 0.02 0.49 0.47 0.00 -0.34 0.00 0.00 178.44 179.08 1xyz h ALA 584 N 1.22 0.95 -0.40 1.25 0.00 -1.27 -0.43 119.26 120.59 1xyz h ALA 584 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xyz h ALA 584 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1xyz h ALA 584 CO -0.05 0.40 0.24 0.35 0.00 0.00 0.00 179.25 180.19 1xyz h PHE 585 N 1.02 0.54 -0.62 0.00 3.57 -1.11 -1.96 116.94 118.38 1xyz h PHE 585 Ca 0.27 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.79 1xyz h PHE 585 Cb -0.06 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 1xyz h PHE 585 CO -0.01 0.39 0.38 0.00 -2.23 0.00 0.00 178.31 176.84 1xyz h ALA 586 N 1.10 0.79 -0.59 2.41 0.00 -0.61 -2.49 119.26 119.87 1xyz h ALA 586 Ca 0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1xyz h ALA 586 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xyz h ALA 586 CO -0.03 0.14 0.12 0.93 0.00 0.00 0.00 179.25 180.41 1xyz h GLU 587 N 0.76 0.97 0.00 0.00 5.08 -0.86 -0.42 114.58 120.12 1xyz h GLU 587 Ca 0.24 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xyz h GLU 587 Cb -0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1xyz h GLU 587 CO -0.09 0.90 0.00 2.89 -1.00 0.00 0.00 179.01 181.71 1xyz n ARG 588 N -4.33 0.32 -0.21 2.33 1.85 -0.76 -3.18 116.66 112.69 1xyz n ARG 588 Ca 0.03 0.03 0.06 0.00 -1.00 0.00 0.00 57.85 56.97 1xyz n ARG 588 Cb 0.26 -1.50 0.15 0.00 -1.05 0.00 0.00 32.46 30.32 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 -1.32 2.97 -3.12 2.89 3.02 -0.90 -4.99 115.26 113.81 1xyz n ASN 589 Ca 0.12 -2.34 -0.23 0.00 -0.03 0.00 0.00 54.58 52.10 1xyz n ASN 589 Cb 0.23 -0.29 0.04 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.06 -0.52 3.78 7.41 0.00 -0.86 -5.01 105.19 109.94 1xyz n GLY 590 Ca 0.12 0.14 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.80 2.84 0.33 1.61 -1.94 -0.22 -4.93 119.30 111.18 1xyz s MET 591 Ca 0.34 -0.92 0.07 0.00 -1.71 0.00 0.00 55.69 53.47 1xyz s MET 591 Cb -0.16 -2.60 -0.01 0.00 2.01 0.00 0.00 34.83 34.08 1xyz s MET 591 CO 0.43 0.47 0.45 -0.65 -0.01 0.00 0.00 175.02 175.70 1xyz s GLN 592 N -3.17 3.09 0.00 2.03 -0.21 -0.31 -4.45 119.66 116.64 1xyz s GLN 592 Ca 0.31 -1.03 0.03 0.00 0.02 0.00 0.00 55.36 54.68 1xyz s GLN 592 Cb -0.10 -2.79 -0.01 0.00 1.00 0.00 0.00 33.01 31.12 1xyz s GLN 592 CO 0.23 0.08 -0.09 1.41 -2.12 0.00 0.00 175.29 174.79 1xyz s MET 593 N -4.15 0.74 0.02 2.91 -2.45 -1.26 -1.67 119.30 113.44 1xyz s MET 593 Ca 0.44 -0.40 0.01 0.00 -1.25 0.00 0.00 55.69 54.49 1xyz s MET 593 Cb -0.09 -0.71 -0.04 0.00 1.25 0.00 0.00 34.83 35.24 1xyz s MET 593 CO 0.31 0.19 0.07 1.03 1.05 0.00 0.00 175.02 177.67 1xyz s ARG 594 N -0.39 3.00 -0.21 4.11 0.52 -0.77 -2.53 118.95 122.68 1xyz s ARG 594 Ca 0.02 -0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 1xyz s ARG 594 Cb -0.04 -2.81 -0.05 0.00 0.52 0.00 0.00 34.95 32.56 1xyz s ARG 594 CO -0.00 0.63 0.17 0.20 0.02 0.00 0.00 175.30 176.32 1xyz s GLY 595 N -1.87 2.03 -0.10 -3.53 0.00 0.16 -4.40 107.32 99.61 1xyz s GLY 595 Ca 0.24 -0.74 -0.03 0.00 0.00 0.00 0.00 44.72 44.19 1xyz s GLY 595 CO 0.16 0.31 0.11 -1.58 0.00 0.00 0.00 173.10 172.10 1xyz s HIS 596 N 0.72 -0.01 0.03 1.90 5.04 -1.26 -0.82 115.29 120.88 1xyz s HIS 596 Ca 0.09 0.23 -0.20 0.00 -1.54 0.00 0.00 55.06 53.64 1xyz s HIS 596 Cb -0.12 -0.45 0.04 0.00 0.04 0.00 0.00 32.58 32.09 1xyz s HIS 596 CO 0.02 -0.33 0.46 -0.08 -2.34 0.00 0.00 174.74 172.47 1xyz s THR 597 N 2.22 0.04 -0.11 0.89 -1.32 -1.12 -3.85 115.64 112.39 1xyz s THR 597 Ca 0.04 -0.36 -0.03 0.00 -1.21 0.00 0.00 61.69 60.13 1xyz s THR 597 Cb -0.13 -0.94 -0.02 0.00 -1.51 0.00 0.00 72.50 69.90 1xyz s THR 597 CO -0.06 -0.20 -0.02 -0.07 -2.21 0.00 0.00 174.62 172.06 1xyz h LEU 598 N 3.00 0.00 -8.34 9.08 3.38 -1.50 -3.36 115.31 117.57 1xyz h LEU 598 Ca -0.31 -0.03 -0.66 0.00 0.09 0.00 0.00 57.88 56.97 1xyz h LEU 598 Cb 1.20 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.67 1xyz h LEU 598 CO 0.42 0.59 -0.72 -0.63 0.09 0.00 0.00 178.44 178.19 1xyz s ILE 599 N -1.75 3.30 0.09 1.22 -1.09 -0.29 -4.59 121.20 118.10 1xyz s ILE 599 Ca -0.04 -0.63 -0.13 0.00 -2.23 0.00 0.00 60.65 57.62 1xyz s ILE 599 Cb 0.00 -2.56 0.02 0.00 -1.58 0.00 0.00 42.46 38.35 1xyz s ILE 599 CO 0.08 0.35 0.31 0.86 -1.23 0.00 0.00 174.94 175.30 1xyz s TRP 600 N 1.45 -0.06 -0.86 3.97 -0.00 -1.26 -1.49 118.94 120.67 1xyz s TRP 600 Ca 0.04 -0.24 0.26 0.00 -0.00 0.00 0.00 56.10 56.16 1xyz s TRP 600 Cb -0.15 0.11 0.64 0.00 -0.00 0.00 0.00 33.47 34.08 1xyz s TRP 600 CO -0.03 -0.60 1.53 -2.39 -0.00 0.00 0.00 176.95 175.46 1xyz n HIS 601 N 0.04 0.26 -4.06 5.86 1.44 -1.26 -4.88 115.22 112.63 1xyz n HIS 601 Ca -0.16 0.08 -0.23 0.00 -2.01 0.00 0.00 57.72 55.40 1xyz n HIS 601 Cb 0.62 -0.50 -0.06 0.00 0.12 0.00 0.00 29.99 30.18 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 -3.52 4.87 -1.37 4.39 0.01 -1.26 -4.74 114.94 113.32 1xyz s ASN 602 Ca 0.10 -0.66 -0.04 0.00 -0.71 0.00 0.00 52.86 51.55 1xyz s ASN 602 Cb 0.16 -0.84 0.02 0.00 0.41 0.00 0.00 41.25 41.00 1xyz s ASN 602 CO 0.66 -0.26 0.82 0.00 -1.51 0.00 0.00 177.10 176.81 1xyz n GLN 603 N -1.18 -5.35 -3.96 -0.60 6.02 -1.26 -4.89 117.38 106.16 1xyz n GLN 603 Ca -0.03 0.64 -0.35 0.00 -0.01 0.00 0.00 57.00 57.24 1xyz n GLN 603 Cb 0.60 -5.34 -0.06 0.00 1.02 0.00 0.00 30.24 26.46 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 -4.01 6.20 0.64 1.08 0.01 -1.26 -2.40 114.94 115.20 1xyz s ASN 604 Ca 0.22 0.36 -0.15 0.00 -0.71 0.00 0.00 52.86 52.58 1xyz s ASN 604 Cb -0.11 -1.94 -0.01 0.00 0.41 0.00 0.00 41.25 39.60 1xyz s ASN 604 CO 0.81 0.34 1.09 -2.16 -1.51 0.00 0.00 177.10 175.67 1xyz s PRO 605 N -1.42 2.95 0.32 -0.60 0.04 -1.26 -4.82 135.00 130.22 1xyz s PRO 605 Ca 0.20 1.30 0.08 0.00 0.04 0.00 0.00 61.00 62.62 1xyz s PRO 605 Cb -0.12 -1.98 0.81 0.00 0.04 0.00 0.00 34.50 33.25 1xyz s PRO 605 CO 0.10 -1.12 1.78 0.77 0.04 0.00 0.00 177.00 178.57 1xyz h SER 606 N 0.07 0.72 0.10 6.66 0.02 -1.97 -1.37 113.55 117.78 1xyz h SER 606 Ca -0.46 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 1xyz h SER 606 Cb 1.23 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1xyz h SER 606 CO 0.55 0.24 -0.10 4.11 -1.14 0.00 0.00 176.83 180.49 1xyz h TRP 607 N 0.69 0.00 0.00 3.45 5.08 -1.93 0.24 115.95 123.49 1xyz h TRP 607 Ca 0.58 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.50 1xyz h TRP 607 Cb 1.00 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.15 1xyz h TRP 607 CO -0.00 0.10 -0.31 1.25 -1.28 0.00 0.00 178.44 178.19 1xyz h LEU 608 N 0.00 0.00 -1.35 0.11 5.85 -1.64 -2.87 115.31 115.41 1xyz h LEU 608 Ca -0.00 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 1xyz h LEU 608 Cb 0.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1xyz h LEU 608 CO 0.01 0.90 -0.18 0.71 -0.34 0.00 0.00 178.44 179.54 1xyz h THR 609 N -1.00 1.20 -0.04 1.05 1.35 -1.37 -2.72 112.91 111.38 1xyz h THR 609 Ca -0.07 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1xyz h THR 609 Cb 0.68 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1xyz h THR 609 CO -0.04 0.27 0.00 0.59 -0.25 0.00 0.00 175.52 176.09 1xyz n ASN 610 N -4.23 2.14 -4.71 5.36 3.02 0.07 -4.98 115.26 111.92 1xyz n ASN 610 Ca -0.01 -1.72 -0.29 0.00 -0.03 0.00 0.00 54.58 52.54 1xyz n ASN 610 Cb 0.30 -0.01 0.15 0.00 -0.61 0.00 0.00 39.78 39.61 1xyz n ASN 610 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xyz s GLY 611 N -1.96 1.58 -0.39 7.41 0.00 -1.03 -5.02 107.32 107.90 1xyz s GLY 611 Ca 0.34 -0.52 -0.06 0.00 0.00 0.00 0.00 44.72 44.48 1xyz s GLY 611 CO 0.32 0.06 0.19 0.21 0.00 0.00 0.00 173.10 173.89 1xyz s ASN 612 N -3.92 5.38 0.22 1.64 2.47 -1.26 -5.04 114.94 114.43 1xyz s ASN 612 Ca 0.65 -1.64 0.08 0.00 0.42 0.00 0.00 52.86 52.37 1xyz s ASN 612 Cb -0.15 -1.88 -0.05 0.00 -1.45 0.00 0.00 41.25 37.71 1xyz s ASN 612 CO 0.54 -0.49 -0.13 0.26 -3.72 0.00 0.00 177.10 173.56 1xyz s TRP 613 N 1.30 1.80 0.33 0.43 0.52 -1.26 -5.04 118.94 117.02 1xyz s TRP 613 Ca 0.03 -0.58 0.04 0.00 0.02 0.00 0.00 56.10 55.61 1xyz s TRP 613 Cb -0.22 -0.87 -0.04 0.00 -1.15 0.00 0.00 33.47 31.19 1xyz s TRP 613 CO -0.01 0.38 0.16 0.54 0.02 0.00 0.00 176.95 178.04 1xyz s ASN 614 N -3.36 1.84 0.17 2.95 2.20 -1.26 -4.99 114.94 112.49 1xyz s ASN 614 Ca 0.24 -1.59 -0.17 0.00 -0.94 0.00 0.00 52.86 50.41 1xyz s ASN 614 Cb -0.00 0.40 0.11 0.00 -2.00 0.00 0.00 41.25 39.76 1xyz s ASN 614 CO 0.08 -0.90 1.66 -0.09 -2.94 0.00 0.00 177.10 174.92 1xyz h ARG 615 N 2.12 -0.00 -0.47 3.55 2.43 -1.90 -1.07 114.38 119.03 1xyz h ARG 615 Ca -0.33 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.71 1xyz h ARG 615 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1xyz h ARG 615 CO 0.52 -0.00 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.34 1xyz h ASP 616 N -0.00 0.98 0.23 -3.80 3.32 -1.96 -1.36 116.42 113.82 1xyz h ASP 616 Ca 0.21 -0.36 -0.19 0.00 0.02 0.00 0.00 57.03 56.70 1xyz h ASP 616 Cb 0.32 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1xyz h ASP 616 CO -0.45 1.14 -0.77 0.77 -1.72 0.00 0.00 179.24 178.22 1xyz h SER 617 N 0.83 0.53 0.38 6.45 4.64 -1.93 -2.57 113.55 121.87 1xyz h SER 617 Ca 0.11 -0.36 -0.16 0.00 -0.47 0.00 0.00 61.79 60.91 1xyz h SER 617 Cb 0.77 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1xyz h SER 617 CO 0.06 1.12 -0.67 0.25 -0.87 0.00 0.00 176.83 176.72 1xyz h LEU 618 N 0.29 0.31 -0.89 5.97 5.85 -1.13 -2.55 115.31 123.16 1xyz h LEU 618 Ca -0.04 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1xyz h LEU 618 Cb 1.36 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1xyz h LEU 618 CO 0.13 0.89 0.31 -0.07 -0.34 0.00 0.00 178.44 179.36 1xyz h LEU 619 N 0.19 1.03 -0.71 2.25 3.38 -1.20 -1.08 115.31 119.16 1xyz h LEU 619 Ca -0.02 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1xyz h LEU 619 Cb 1.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1xyz h LEU 619 CO 0.11 0.90 0.17 0.00 0.09 0.00 0.00 178.44 179.71 1xyz h ALA 620 N 1.24 0.94 -0.55 1.53 0.00 -1.32 -0.43 119.26 120.68 1xyz h ALA 620 Ca 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xyz h ALA 620 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xyz h ALA 620 CO -0.02 0.67 0.23 0.28 0.00 0.00 0.00 179.25 180.41 1xyz h VAL 621 N 1.09 1.21 -0.20 0.00 2.07 -1.10 -1.84 116.25 117.48 1xyz h VAL 621 Ca 0.22 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1xyz h VAL 621 Cb 0.38 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1xyz h VAL 621 CO 0.00 0.25 0.12 -0.03 0.02 0.00 0.00 177.57 177.94 1xyz h MET 622 N 0.74 0.25 -0.40 1.57 -1.53 -0.87 -1.49 114.93 113.20 1xyz h MET 622 Ca 0.18 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.43 1xyz h MET 622 Cb 0.17 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.15 1xyz h MET 622 CO -0.02 0.16 0.27 -0.22 0.14 0.00 0.00 176.91 177.24 1xyz h LYS 623 N 0.25 0.53 -0.58 0.39 3.64 -1.00 -1.29 116.57 118.51 1xyz h LYS 623 Ca 0.08 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1xyz h LYS 623 Cb -0.01 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1xyz h LYS 623 CO -0.03 0.36 0.23 -0.97 -2.27 0.00 0.00 179.45 176.76 1xyz h ASN 624 N 0.55 0.81 0.11 4.20 -1.24 -1.14 -0.86 115.58 118.01 1xyz h ASN 624 Ca 0.15 -0.17 -0.01 0.00 0.71 0.00 0.00 56.30 56.98 1xyz h ASN 624 Cb -0.06 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 38.78 1xyz h ASN 624 CO -0.03 0.76 -0.05 -0.74 -1.29 0.00 0.00 177.43 176.08 1xyz h HIS 625 N 0.80 -0.14 -0.33 0.67 2.76 -1.12 -0.34 115.15 117.46 1xyz h HIS 625 Ca 0.19 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1xyz h HIS 625 Cb 0.21 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 1xyz h HIS 625 CO 0.01 0.12 0.20 0.82 -1.30 0.00 0.00 177.93 177.79 1xyz h ILE 626 N -0.39 1.11 -0.21 6.26 2.04 -1.21 -1.65 117.51 123.47 1xyz h ILE 626 Ca -0.02 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1xyz h ILE 626 Cb 0.32 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1xyz h ILE 626 CO 0.02 0.11 0.01 0.74 0.00 0.00 0.00 178.15 179.03 1xyz h THR 627 N 0.44 1.25 -0.38 -0.27 2.02 -1.16 -1.13 112.91 113.68 1xyz h THR 627 Ca 0.12 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1xyz h THR 627 Cb -0.00 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1xyz h THR 627 CO -0.02 0.26 0.16 0.74 0.37 0.00 0.00 175.52 177.03 1xyz h THR 628 N 0.14 1.19 0.08 3.16 2.02 -0.96 -1.36 112.91 117.17 1xyz h THR 628 Ca 0.06 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1xyz h THR 628 Cb 0.38 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1xyz h THR 628 CO 0.01 0.21 -0.04 0.58 0.37 0.00 0.00 175.52 176.65 1xyz h VAL 629 N 0.47 1.11 -0.20 3.16 2.07 -1.31 -2.77 116.25 118.79 1xyz h VAL 629 Ca 0.13 -0.70 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 1xyz h VAL 629 Cb 0.18 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1xyz h VAL 629 CO -0.01 0.17 -0.23 0.24 0.02 0.00 0.00 177.57 177.76 1xyz h MET 630 N -0.43 0.35 -0.09 1.57 2.86 -1.21 -2.69 114.93 115.30 1xyz h MET 630 Ca -0.01 -0.12 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 1xyz h MET 630 Cb 0.36 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1xyz h MET 630 CO 0.02 0.57 -0.51 1.79 1.06 0.00 0.00 176.91 179.84 1xyz h THR 631 N 0.32 1.35 -0.08 2.22 1.35 -1.27 -0.27 112.91 116.53 1xyz h THR 631 Ca 0.05 -1.77 -0.04 0.00 -0.55 0.00 0.00 66.41 64.11 1xyz h THR 631 Cb 0.59 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1xyz h THR 631 CO 0.04 0.52 -0.12 -0.74 -0.25 0.00 0.00 175.52 174.98 1xyz h HIS 632 N 0.19 0.12 -0.33 4.73 6.17 -1.18 -2.45 115.15 122.41 1xyz h HIS 632 Ca 0.01 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 1xyz h HIS 632 Cb 0.97 -0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.86 1xyz h HIS 632 CO 0.02 0.24 0.01 0.66 0.71 0.00 0.00 177.93 179.57 1xyz n TYR 633 N -4.33 1.17 -1.66 5.26 4.01 -1.00 -5.03 117.16 115.57 1xyz n TYR 633 Ca -0.02 -0.90 -0.50 0.00 -0.16 0.00 0.00 57.90 56.32 1xyz n TYR 633 Cb 0.23 -0.37 -0.05 0.00 -0.31 0.00 0.00 39.34 38.84 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 -0.36 1.76 -0.93 -0.72 4.81 -0.15 -0.97 118.16 121.60 1xyz n LYS 634 Ca 0.24 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 1xyz n LYS 634 Cb 0.96 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.63 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 3.67 0.46 0.01 3.14 0.00 -1.26 -4.85 105.19 106.36 1xyz n GLY 635 Ca 0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.77 0.51 -4.01 1.61 4.76 -0.15 -4.93 118.16 114.18 1xyz n LYS 636 Ca 0.00 -0.12 -0.34 0.00 -2.87 0.00 0.00 58.31 54.99 1xyz n LYS 636 Cb 0.10 -1.31 -0.15 0.00 -1.84 0.00 0.00 35.03 31.83 1xyz n LYS 636 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1xyz s ILE 637 N -2.90 2.58 0.20 -0.18 1.01 -1.24 -4.56 121.20 116.11 1xyz s ILE 637 Ca -0.04 -1.20 -0.05 0.00 0.00 0.00 0.00 60.65 59.35 1xyz s ILE 637 Cb 0.09 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1xyz s ILE 637 CO 0.56 0.17 1.58 1.62 0.00 0.00 0.00 174.94 178.87 1xyz h VAL 638 N 6.29 1.28 -3.78 2.92 3.04 -1.85 -3.43 116.25 120.72 1xyz h VAL 638 Ca -0.30 -1.44 -0.42 0.00 -1.01 0.00 0.00 66.70 63.52 1xyz h VAL 638 Cb 1.09 1.31 -0.31 0.00 -2.01 0.00 0.00 31.29 31.37 1xyz h VAL 638 CO 0.55 0.48 -0.79 -1.61 -1.01 0.00 0.00 177.57 175.19 1xyz s GLU 639 N -4.49 0.95 -0.11 4.17 2.02 -1.25 -1.52 118.70 118.47 1xyz s GLU 639 Ca -0.09 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 54.64 1xyz s GLU 639 Cb 0.12 -0.89 0.00 0.00 0.10 0.00 0.00 34.13 33.47 1xyz s GLU 639 CO 0.85 0.10 -0.23 -1.58 0.02 0.00 0.00 175.26 174.41 1xyz s TRP 640 N 0.25 2.56 -0.90 1.61 0.52 -0.30 -0.67 118.94 122.01 1xyz s TRP 640 Ca -0.04 -1.11 -0.22 0.00 0.02 0.00 0.00 56.10 54.75 1xyz s TRP 640 Cb -0.09 -1.72 0.08 0.00 -1.15 0.00 0.00 33.47 30.59 1xyz s TRP 640 CO 0.01 -0.47 1.23 -0.51 0.02 0.00 0.00 176.95 177.23 1xyz s ASP 641 N 0.47 6.47 0.12 2.95 1.01 -0.00 -0.54 116.67 127.15 1xyz s ASP 641 Ca -0.16 -1.53 -0.15 0.00 0.71 0.00 0.00 52.55 51.42 1xyz s ASP 641 Cb -0.17 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1xyz s ASP 641 CO 0.06 -1.35 1.60 0.58 0.21 0.00 0.00 175.17 176.27 1xyz h VAL 642 N 6.21 1.24 -4.00 -1.27 2.07 -1.55 -2.46 116.25 116.49 1xyz h VAL 642 Ca 0.06 -0.89 -0.45 0.00 0.82 0.00 0.00 66.70 66.24 1xyz h VAL 642 Cb 1.03 1.07 -0.23 0.00 -1.52 0.00 0.00 31.29 31.63 1xyz h VAL 642 CO 1.25 0.30 -0.79 0.00 0.02 0.00 0.00 177.57 178.34 1xyz s ALA 643 N -5.15 1.28 -0.04 1.67 0.00 -1.21 -1.14 121.76 117.16 1xyz s ALA 643 Ca -0.13 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 1xyz s ALA 643 Cb 0.10 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1xyz s ALA 643 CO 0.78 0.23 0.02 1.21 0.00 0.00 0.00 175.76 178.00 1xyz s ASN 644 N -1.43 0.90 -1.36 0.00 3.04 -0.56 -1.52 114.94 114.02 1xyz s ASN 644 Ca 0.01 0.00 -0.05 0.00 0.04 0.00 0.00 52.86 52.87 1xyz s ASN 644 Cb -0.09 -0.23 0.02 0.00 -1.54 0.00 0.00 41.25 39.41 1xyz s ASN 644 CO 0.02 -0.17 0.87 -0.62 -3.04 0.00 0.00 177.10 174.15 1xyz n GLU 645 N 4.75 -5.64 0.07 0.43 1.02 0.09 -4.48 120.64 116.89 1xyz n GLU 645 Ca -0.14 0.67 0.12 0.00 -0.02 0.00 0.00 57.16 57.78 1xyz n GLU 645 Cb 0.50 -5.43 0.14 0.00 -0.02 0.00 0.00 31.44 26.63 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 -3.20 4.25 0.53 0.00 -2.45 -1.26 -0.49 119.30 116.67 1xyz s MET 647 Ca 0.05 0.77 -0.21 0.00 -1.25 0.00 0.00 55.69 55.06 1xyz s MET 647 Cb 0.13 -3.26 -0.06 0.00 1.25 0.00 0.00 34.83 32.89 1xyz s MET 647 CO 0.73 0.58 1.17 0.34 1.05 0.00 0.00 175.02 178.90 1xyz s ASP 648 N -0.94 5.74 0.62 1.11 2.15 0.25 -4.60 116.67 121.00 1xyz s ASP 648 Ca 0.30 2.29 0.37 0.00 0.43 0.00 0.00 52.55 55.94 1xyz s ASP 648 Cb -0.20 -2.59 2.05 0.00 -0.30 0.00 0.00 42.92 41.88 1xyz s ASP 648 CO 0.19 -1.21 2.28 0.44 -0.17 0.00 0.00 175.17 176.70 1xyz h ASP 649 N 1.42 0.00 0.43 -0.34 3.32 -1.97 -1.24 116.42 118.05 1xyz h ASP 649 Ca -0.50 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 1xyz h ASP 649 Cb 1.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1xyz h ASP 649 CO 0.58 0.01 -0.27 0.77 -1.72 0.00 0.00 179.24 178.61 1xyz h SER 650 N 0.00 0.00 0.00 6.45 4.64 -1.92 -3.42 113.55 119.30 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 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1xyz h SER 650 CO 0.00 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 1xyz n GLY 651 N -0.48 0.70 0.16 -0.77 0.00 -0.47 -4.50 105.19 99.82 1xyz n GLY 651 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.26 -1.90 -3.43 115.58 111.61 1xyz h ASN 652 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1xyz h ASN 652 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1xyz h ASN 652 CO 0.00 0.41 0.00 0.61 -1.06 0.00 0.00 177.43 177.39 1xyz n GLY 653 N 1.15 -1.48 3.77 2.83 0.00 -1.26 -5.07 105.19 105.13 1xyz n GLY 653 Ca 0.02 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 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 4.09 0.54 0.99 1.43 -1.26 -0.58 118.68 123.89 1xyz s LEU 654 Ca 0.00 2.42 -0.16 0.00 -1.03 0.00 0.00 54.13 55.37 1xyz s LEU 654 Cb 0.00 -4.11 -0.07 0.00 0.03 0.00 0.00 46.19 42.04 1xyz s LEU 654 CO 0.00 -0.89 1.00 0.00 0.23 0.00 0.00 176.35 176.70 1xyz s ARG 655 N -2.50 3.78 0.23 1.70 1.70 0.35 -4.58 118.95 119.63 1xyz s ARG 655 Ca 0.61 0.97 -0.30 0.00 -0.47 0.00 0.00 55.73 56.54 1xyz s ARG 655 Cb -0.32 -2.11 -0.09 0.00 -0.57 0.00 0.00 34.95 31.86 1xyz s ARG 655 CO 0.40 -0.41 1.36 0.45 -1.08 0.00 0.00 175.30 176.02 1xyz s SER 656 N -3.18 6.79 0.17 -2.89 0.15 -1.26 -4.77 113.70 108.71 1xyz s SER 656 Ca 0.59 2.53 -0.24 0.00 0.70 0.00 0.00 55.95 59.53 1xyz s SER 656 Cb -0.11 -2.62 0.06 0.00 -1.71 0.00 0.00 66.02 61.64 1xyz s SER 656 CO 0.35 -0.60 0.95 -0.94 1.20 0.00 0.00 173.24 174.21 1xyz s SER 657 N 0.28 -0.16 0.26 5.45 1.04 -1.26 -4.99 113.70 114.32 1xyz s SER 657 Ca 0.57 -0.46 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 1xyz s SER 657 Cb -0.39 0.51 0.31 0.00 0.10 0.00 0.00 66.02 66.55 1xyz s SER 657 CO 0.41 -0.95 1.91 -0.29 0.98 0.00 0.00 173.24 175.30 1xyz h ILE 658 N 2.00 1.24 -0.10 -1.02 2.10 -1.94 -0.63 117.51 119.17 1xyz h ILE 658 Ca -0.24 -0.51 -0.02 0.00 1.08 0.00 0.00 64.86 65.16 1xyz h ILE 658 Cb 1.23 -0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 36.92 1xyz h ILE 658 CO 0.27 0.25 -0.02 -0.50 -1.08 0.00 0.00 178.15 177.07 1xyz h TRP 659 N 1.24 0.21 -0.47 2.19 4.06 -1.96 -2.52 115.95 118.70 1xyz h TRP 659 Ca 0.33 -0.04 -0.06 0.00 2.06 0.00 0.00 58.89 61.18 1xyz h TRP 659 Cb -0.07 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 1xyz h TRP 659 CO 0.00 0.49 0.07 -0.09 -3.56 0.00 0.00 178.44 175.36 1xyz h ARG 660 N -0.13 0.78 -0.10 0.49 9.65 -1.79 -2.33 114.38 120.93 1xyz h ARG 660 Ca 0.03 -0.21 -0.06 0.00 -1.10 0.00 0.00 59.98 58.63 1xyz h ARG 660 Cb 0.42 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1xyz h ARG 660 CO 0.01 0.79 -0.18 -0.91 2.80 0.00 0.00 179.97 182.48 1xyz h ASN 661 N 0.64 0.34 -0.02 -3.80 2.35 -1.15 -2.26 115.58 111.69 1xyz h ASN 661 Ca 0.14 -0.55 -0.07 0.00 -0.55 0.00 0.00 56.30 55.27 1xyz h ASN 661 Cb 0.39 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1xyz h ASN 661 CO 0.01 0.82 -0.26 0.58 -1.65 0.00 0.00 177.43 176.93 1xyz h VAL 662 N -0.13 1.50 0.01 2.81 2.07 -1.54 -3.39 116.25 117.59 1xyz h VAL 662 Ca 0.01 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.67 1xyz h VAL 662 Cb 0.76 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1xyz h VAL 662 CO 0.04 0.51 -0.00 0.40 0.02 0.00 0.00 177.57 178.54 1xyz h ILE 663 N -0.40 1.58 0.00 4.57 2.04 -1.56 -3.29 117.51 120.44 1xyz h ILE 663 Ca -0.03 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.76 1xyz h ILE 663 Cb 0.98 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 1xyz h ILE 663 CO 0.05 0.51 0.00 0.61 0.00 0.00 0.00 178.15 179.33 1xyz n GLY 664 N 1.44 0.75 0.30 5.37 0.00 -0.85 -4.85 105.19 107.35 1xyz n GLY 664 Ca -0.09 -2.12 0.19 0.00 0.00 0.00 0.00 46.02 44.00 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 8.09 0.00 -0.65 1.61 3.07 -1.94 -2.84 115.11 122.45 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 0.03 0.00 -0.40 0.09 0.00 0.00 178.83 178.55 1xyz n ASP 666 N -3.22 4.46 -0.07 0.06 5.75 -1.26 -4.61 116.55 117.66 1xyz n ASP 666 Ca -0.01 -2.45 0.11 0.00 -0.01 0.00 0.00 54.79 52.43 1xyz n ASP 666 Cb 0.20 -0.56 0.49 0.00 -1.03 0.00 0.00 41.12 40.21 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 3.72 0.45 -0.07 2.11 -0.00 -1.84 -2.21 116.97 119.13 1xyz h TYR 667 Ca 0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 58.73 58.62 1xyz h TYR 667 Cb 1.39 -0.15 -0.01 0.00 -0.00 0.00 0.00 36.73 37.96 1xyz h TYR 667 CO 0.73 0.22 -0.49 -0.07 -0.00 0.00 0.00 178.16 178.56 1xyz h LEU 668 N 0.43 0.18 -0.99 0.10 3.38 -1.88 -2.57 115.31 113.97 1xyz h LEU 668 Ca 0.25 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1xyz h LEU 668 Cb 0.44 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1xyz h LEU 668 CO -0.07 0.65 0.65 0.44 0.09 0.00 0.00 178.44 180.20 1xyz h ASP 669 N 0.14 1.09 -0.25 -0.43 3.32 -1.75 -2.13 116.42 116.41 1xyz h ASP 669 Ca 0.01 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1xyz h ASP 669 Cb 0.91 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1xyz h ASP 669 CO 0.07 0.76 -0.12 1.88 -1.72 0.00 0.00 179.24 180.10 1xyz h TYR 670 N 1.27 0.61 -0.34 4.55 0.05 -1.52 -1.94 116.97 119.65 1xyz h TYR 670 Ca 0.39 -0.15 0.06 0.00 0.05 0.00 0.00 58.73 59.07 1xyz h TYR 670 Cb -0.03 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.52 1xyz h TYR 670 CO -0.00 0.79 0.02 0.00 -1.05 0.00 0.00 178.16 177.91 1xyz h ALA 671 N 0.72 0.32 -0.51 3.88 0.00 -1.20 0.10 119.26 122.57 1xyz h ALA 671 Ca 0.05 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1xyz h ALA 671 Cb 0.63 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1xyz h ALA 671 CO 0.04 -0.39 -0.15 0.74 0.00 0.00 0.00 179.25 179.49 1xyz h PHE 672 N 0.12 1.12 -0.55 0.00 0.04 -1.40 -1.86 116.94 114.41 1xyz h PHE 672 Ca 0.16 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 1xyz h PHE 672 Cb 0.21 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1xyz h PHE 672 CO -0.22 1.06 0.24 0.00 -0.60 0.00 0.00 178.31 178.79 1xyz h ARG 673 N 0.88 0.81 -0.77 1.51 3.08 -0.92 -1.50 114.38 117.47 1xyz h ARG 673 Ca 0.13 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1xyz h ARG 673 Cb 0.72 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 1xyz h ARG 673 CO 0.05 0.69 0.34 1.88 -1.07 0.00 0.00 179.97 181.87 1xyz h TYR 674 N 0.75 1.13 -0.55 3.04 0.05 -0.92 -2.27 116.97 118.20 1xyz h TYR 674 Ca 0.19 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 1xyz h TYR 674 Cb 0.17 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 1xyz h TYR 674 CO 0.00 0.84 0.04 0.00 -1.05 0.00 0.00 178.16 178.00 1xyz h ALA 675 N 1.17 0.74 -0.83 3.88 0.00 -1.12 -2.15 119.26 120.97 1xyz h ALA 675 Ca 0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xyz h ALA 675 Cb 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1xyz h ALA 675 CO -0.03 0.53 0.39 -0.09 0.00 0.00 0.00 179.25 180.05 1xyz h ARG 676 N 0.83 1.20 -0.32 0.00 9.65 -1.04 -2.33 114.38 122.37 1xyz h ARG 676 Ca 0.16 -0.18 -0.11 0.00 -1.10 0.00 0.00 59.98 58.74 1xyz h ARG 676 Cb 0.48 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1xyz h ARG 676 CO 0.02 0.93 -0.27 0.93 2.80 0.00 0.00 179.97 184.38 1xyz h GLU 677 N 1.18 0.65 -0.43 0.20 5.08 -1.23 -2.91 114.58 117.12 1xyz h GLU 677 Ca 0.28 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1xyz h GLU 677 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1xyz h GLU 677 CO -0.03 0.85 -0.22 0.00 -1.00 0.00 0.00 179.01 178.61 1xyz h ALA 678 N 1.14 0.60 -2.10 3.43 0.00 -1.03 -3.40 119.26 117.90 1xyz h ALA 678 Ca 0.07 -0.39 -0.35 0.00 0.00 0.00 0.00 54.91 54.25 1xyz h ALA 678 Cb 0.76 -0.14 -0.33 0.00 0.00 0.00 0.00 17.79 18.08 1xyz h ALA 678 CO 0.06 0.59 -0.66 0.34 0.00 0.00 0.00 179.25 179.58 1xyz s ASP 679 N -6.64 1.56 0.60 0.00 -1.08 -0.91 -4.56 116.67 105.64 1xyz s ASP 679 Ca -0.12 -1.05 0.40 0.00 -0.52 0.00 0.00 52.55 51.26 1xyz s ASP 679 Cb 0.11 0.50 2.01 0.00 -1.46 0.00 0.00 42.92 44.08 1xyz s ASP 679 CO 0.86 -0.35 2.20 -0.65 0.52 0.00 0.00 175.17 177.75 1xyz h PRO 680 N 7.86 0.00 0.00 4.34 0.11 -1.74 -2.90 132.00 139.67 1xyz h PRO 680 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1xyz h PRO 680 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xyz h PRO 680 CO 0.29 0.00 -0.57 -0.25 -0.21 0.00 0.00 178.00 177.26 1xyz n ASP 681 N -3.00 0.55 -4.78 -2.05 8.00 -1.26 -4.93 116.55 109.09 1xyz n ASP 681 Ca -0.02 -0.14 -0.37 0.00 0.71 0.00 0.00 54.79 54.97 1xyz n ASP 681 Cb 0.14 0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 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 -3.06 3.22 -0.10 2.24 0.00 -1.09 -4.98 121.76 117.98 1xyz s ALA 682 Ca 0.09 0.53 -0.22 0.00 0.00 0.00 0.00 51.96 52.36 1xyz s ALA 682 Cb 0.16 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1xyz s ALA 682 CO 0.71 0.18 0.66 -0.51 0.00 0.00 0.00 175.76 176.80 1xyz s LEU 683 N -1.97 4.28 -0.20 0.00 1.43 -0.57 -4.97 118.68 116.67 1xyz s LEU 683 Ca 0.49 1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 1xyz s LEU 683 Cb -0.19 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 42.98 1xyz s LEU 683 CO 0.24 -0.13 0.18 -0.76 0.23 0.00 0.00 176.35 176.11 1xyz s LEU 684 N 1.00 4.20 0.10 1.79 1.43 -1.26 -1.15 118.68 124.79 1xyz s LEU 684 Ca 0.34 0.28 0.09 0.00 -1.03 0.00 0.00 54.13 53.82 1xyz s LEU 684 Cb -0.17 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1xyz s LEU 684 CO 0.15 0.13 -0.24 -0.36 0.23 0.00 0.00 176.35 176.26 1xyz s PHE 685 N 0.55 2.07 -0.21 0.29 0.40 0.30 -1.20 117.98 120.18 1xyz s PHE 685 Ca 0.10 -0.40 -0.06 0.00 -0.60 0.00 0.00 56.93 55.97 1xyz s PHE 685 Cb -0.12 -1.15 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 1xyz s PHE 685 CO 0.01 0.24 0.04 -0.47 0.70 0.00 0.00 175.22 175.75 1xyz s TYR 686 N -1.05 3.12 -0.07 0.36 5.04 -0.98 -1.44 117.35 122.33 1xyz s TYR 686 Ca 0.10 -0.25 0.04 0.00 -2.44 0.00 0.00 57.07 54.52 1xyz s TYR 686 Cb -0.10 -2.13 -0.02 0.00 0.35 0.00 0.00 41.96 40.07 1xyz s TYR 686 CO 0.05 -0.13 -0.19 1.21 -1.34 0.00 0.00 175.55 175.14 1xyz s ASN 687 N 0.96 3.58 0.21 4.32 3.04 -0.57 0.13 114.94 126.62 1xyz s ASN 687 Ca 0.03 -0.36 -0.22 0.00 0.04 0.00 0.00 52.86 52.34 1xyz s ASN 687 Cb -0.14 -0.97 0.05 0.00 -1.54 0.00 0.00 41.25 38.64 1xyz s ASN 687 CO 0.02 0.27 0.71 -0.62 -3.04 0.00 0.00 177.10 174.44 1xyz s ASP 688 N -0.28 -0.37 0.23 -4.21 -1.08 -0.65 -0.73 116.67 109.58 1xyz s ASP 688 Ca 0.01 -0.35 0.08 0.00 -0.52 0.00 0.00 52.55 51.76 1xyz s ASP 688 Cb -0.13 0.65 -0.04 0.00 -1.46 0.00 0.00 42.92 41.94 1xyz s ASP 688 CO 0.03 -1.14 0.08 -0.72 0.52 0.00 0.00 175.17 173.93 1xyz s TYR 689 N -3.77 2.93 -1.48 -5.34 -0.85 -1.26 -1.53 117.35 106.05 1xyz s TYR 689 Ca 0.07 -0.14 -0.07 0.00 -0.52 0.00 0.00 57.07 56.42 1xyz s TYR 689 Cb -0.04 -1.35 0.02 0.00 0.38 0.00 0.00 41.96 40.98 1xyz s TYR 689 CO -0.01 0.55 0.66 -1.71 -1.52 0.00 0.00 175.55 173.51 1xyz n ASN 690 N -0.73 -5.58 -0.06 -0.18 5.15 -1.26 -4.87 115.26 107.74 1xyz n ASN 690 Ca -0.08 -0.36 0.03 0.00 -0.60 0.00 0.00 54.58 53.57 1xyz n ASN 690 Cb 0.57 -4.51 0.04 0.00 -0.53 0.00 0.00 39.78 35.35 1xyz n ASN 690 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1xyz n ILE 691 N -4.45 0.99 0.07 -1.44 -5.35 -1.26 -3.98 119.36 103.93 1xyz n ILE 691 Ca -0.07 -1.08 -0.04 0.00 -0.27 0.00 0.00 62.75 61.28 1xyz n ILE 691 Cb 0.59 0.39 -0.08 0.00 -1.74 0.00 0.00 39.64 38.81 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 -3.42 114.58 118.59 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 0.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1xyz h GLU 692 CO 0.00 0.73 0.00 -0.40 -1.40 0.00 0.00 179.01 177.94 1xyz n ASP 693 N -3.23 0.00 -0.71 1.42 5.68 -1.26 -4.08 116.55 114.37 1xyz n ASP 693 Ca -0.02 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.30 1xyz n ASP 693 Cb 0.89 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 41.06 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 3.19 0.00 -2.12 4.77 -1.26 -4.76 117.00 116.82 1xyz n LEU 694 Ca 0.00 -3.67 -0.20 0.00 -0.03 0.00 0.00 56.01 52.12 1xyz n LEU 694 Cb 0.00 -0.55 0.14 0.00 -2.33 0.00 0.00 43.42 40.68 1xyz n LEU 694 CO 0.00 1.19 0.58 0.61 -1.33 0.00 0.00 177.39 178.44 1xyz n GLY 695 N -1.13 -1.44 0.14 -0.72 0.00 -1.26 -4.73 105.19 96.05 1xyz n GLY 695 Ca 0.23 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 1xyz n GLY 695 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xyz h PRO 696 N 0.00 0.02 -0.55 1.61 0.11 -1.95 -0.87 132.00 130.38 1xyz h PRO 696 Ca -0.29 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1xyz h PRO 696 Cb 0.79 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1xyz h PRO 696 CO 0.20 0.02 0.17 -0.22 -0.21 0.00 0.00 178.00 177.96 1xyz h LYS 697 N 0.02 0.85 -0.64 1.05 3.64 -1.82 -1.62 116.57 118.06 1xyz h LYS 697 Ca 0.16 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1xyz h LYS 697 Cb 0.23 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1xyz h LYS 697 CO -0.31 0.78 0.42 1.03 -2.27 0.00 0.00 179.45 179.09 1xyz h SER 698 N 0.76 0.74 -0.52 4.20 0.87 -1.58 -2.05 113.55 115.96 1xyz h SER 698 Ca 0.18 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 1xyz h SER 698 Cb 0.28 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1xyz h SER 698 CO -0.01 0.54 0.02 0.78 -0.53 0.00 0.00 176.83 177.64 1xyz h ASN 699 N 0.86 0.91 -0.46 6.23 2.35 -0.98 -0.65 115.58 123.85 1xyz h ASN 699 Ca 0.23 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1xyz h ASN 699 Cb -0.09 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 1xyz h ASN 699 CO -0.05 0.96 0.25 0.00 -1.65 0.00 0.00 177.43 176.94 1xyz h ALA 700 N 1.14 0.59 -0.44 -0.83 0.00 -1.07 -1.02 119.26 117.63 1xyz h ALA 700 Ca 0.17 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1xyz h ALA 700 Cb 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xyz h ALA 700 CO 0.02 0.12 -0.23 0.28 0.00 0.00 0.00 179.25 179.44 1xyz h VAL 701 N 0.61 1.27 -0.14 0.00 2.07 -1.22 -1.39 116.25 117.45 1xyz h VAL 701 Ca 0.16 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1xyz h VAL 701 Cb 0.06 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1xyz h VAL 701 CO -0.03 0.47 0.09 0.15 0.02 0.00 0.00 177.57 178.27 1xyz h PHE 702 N 0.76 0.18 -0.71 1.57 3.57 -1.00 -0.63 116.94 120.69 1xyz h PHE 702 Ca 0.09 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1xyz h PHE 702 Cb 0.81 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 1xyz h PHE 702 CO 0.06 0.15 0.47 -0.91 -2.23 0.00 0.00 178.31 175.84 1xyz h ASN 703 N 0.16 0.81 -0.18 0.41 2.35 -1.11 0.14 115.58 118.15 1xyz h ASN 703 Ca 0.05 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1xyz h ASN 703 Cb 0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1xyz h ASN 703 CO -0.01 0.58 0.05 -0.03 -1.65 0.00 0.00 177.43 176.37 1xyz h MET 704 N 0.95 0.12 -0.44 0.81 4.05 -0.93 -0.17 114.93 119.31 1xyz h MET 704 Ca 0.26 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.57 1xyz h MET 704 Cb -0.10 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 1xyz h MET 704 CO -0.06 0.08 -0.14 0.82 0.23 0.00 0.00 176.91 177.84 1xyz h ILE 705 N 0.12 1.26 -0.47 1.77 2.04 -0.83 -1.05 117.51 120.36 1xyz h ILE 705 Ca 0.08 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1xyz h ILE 705 Cb 0.06 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1xyz h ILE 705 CO -0.10 0.42 0.25 0.50 0.00 0.00 0.00 178.15 179.23 1xyz h LYS 706 N 0.74 0.67 -0.48 2.37 3.64 -0.39 -1.26 116.57 121.87 1xyz h LYS 706 Ca 0.12 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1xyz h LYS 706 Cb 0.65 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1xyz h LYS 706 CO 0.05 0.54 0.13 1.03 -2.27 0.00 0.00 179.45 178.93 1xyz h SER 707 N 0.62 0.72 -0.54 4.20 0.87 -0.78 -1.55 113.55 117.09 1xyz h SER 707 Ca 0.17 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1xyz h SER 707 Cb 0.08 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1xyz h SER 707 CO -0.02 0.76 0.33 0.24 -0.53 0.00 0.00 176.83 177.60 1xyz h MET 708 N 0.65 0.64 -0.73 2.24 2.86 -0.92 -0.74 114.93 118.93 1xyz h MET 708 Ca 0.15 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1xyz h MET 708 Cb 0.31 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1xyz h MET 708 CO -0.00 0.42 0.48 0.87 1.06 0.00 0.00 176.91 179.74 1xyz h LYS 709 N 0.66 0.97 -0.27 1.72 1.79 -0.97 -0.87 116.57 119.60 1xyz h LYS 709 Ca 0.21 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.57 1xyz h LYS 709 Cb 0.01 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 1xyz h LYS 709 CO -0.09 0.65 -0.08 0.93 -1.08 0.00 0.00 179.45 179.78 1xyz h GLU 710 N 0.99 0.42 -0.32 3.15 5.08 -0.51 -2.76 114.58 120.63 1xyz h GLU 710 Ca 0.27 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xyz h GLU 710 Cb -0.10 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1xyz h GLU 710 CO -0.06 0.51 0.00 0.54 -1.00 0.00 0.00 179.01 179.01 1xyz n ARG 711 N -4.26 1.80 -1.03 2.33 1.74 -0.36 -4.95 116.66 111.93 1xyz n ARG 711 Ca 0.01 -1.24 -0.01 0.00 -0.77 0.00 0.00 57.85 55.83 1xyz n ARG 711 Cb 0.27 -1.30 -0.01 0.00 -1.02 0.00 0.00 32.46 30.41 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 1.08 0.49 3.71 -0.13 0.00 -1.04 -5.02 105.19 104.28 1xyz n GLY 712 Ca 0.13 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.93 4.17 -0.85 1.61 1.01 -0.36 -4.95 120.40 119.10 1xyz s VAL 713 Ca 0.00 1.55 -0.25 0.00 0.00 0.00 0.00 61.98 63.29 1xyz s VAL 713 Cb 0.00 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1xyz s VAL 713 CO 0.00 0.12 1.75 -2.16 0.00 0.00 0.00 175.10 174.80 1xyz s PRO 714 N 1.09 2.87 -0.06 2.72 0.04 -1.26 -4.39 135.00 136.00 1xyz s PRO 714 Ca 0.58 -0.27 0.02 0.00 0.04 0.00 0.00 61.00 61.37 1xyz s PRO 714 Cb -0.28 -4.89 0.01 0.00 0.04 0.00 0.00 34.50 29.39 1xyz s PRO 714 CO 0.29 -2.85 -0.11 -1.50 0.04 0.00 0.00 177.00 172.87 1xyz s ILE 715 N 8.27 1.03 -0.19 0.56 2.07 -1.26 -4.74 121.20 126.94 1xyz s ILE 715 Ca 0.60 -0.42 0.11 0.00 -1.41 0.00 0.00 60.65 59.53 1xyz s ILE 715 Cb -0.07 -0.95 -0.19 0.00 0.13 0.00 0.00 42.46 41.39 1xyz s ILE 715 CO 0.04 0.33 -0.03 0.47 -1.91 0.00 0.00 174.94 173.84 1xyz n ASP 716 N 3.79 1.30 -4.01 4.50 8.00 -0.34 -4.98 116.55 124.82 1xyz n ASP 716 Ca -0.23 -0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.14 1xyz n ASP 716 Cb 0.52 0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 42.05 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 -5.45 0.59 -0.06 0.44 0.00 -0.55 -1.82 107.32 100.48 1xyz s GLY 717 Ca -0.16 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 43.69 1xyz s GLY 717 CO 0.63 -0.70 -0.22 0.54 0.00 0.00 0.00 173.10 173.35 1xyz s VAL 718 N -4.02 1.84 -0.28 1.40 0.11 0.16 -2.32 120.40 117.29 1xyz s VAL 718 Ca 0.23 -0.94 -0.10 0.00 -2.93 0.00 0.00 61.98 58.24 1xyz s VAL 718 Cb 0.00 -1.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.25 1xyz s VAL 718 CO 0.08 0.52 0.15 -0.83 -3.33 0.00 0.00 175.10 171.69 1xyz s GLY 719 N -0.05 1.87 -0.42 6.54 0.00 0.12 -1.75 107.32 113.63 1xyz s GLY 719 Ca -0.05 -1.20 -0.19 0.00 0.00 0.00 0.00 44.72 43.29 1xyz s GLY 719 CO 0.04 0.64 0.52 -1.36 0.00 0.00 0.00 173.10 172.94 1xyz s PHE 720 N 1.68 3.13 0.25 1.90 0.40 -0.03 -1.63 117.98 123.69 1xyz s PHE 720 Ca 0.06 -0.19 -0.05 0.00 -0.60 0.00 0.00 56.93 56.16 1xyz s PHE 720 Cb -0.16 -3.07 0.30 0.00 0.51 0.00 0.00 43.02 40.60 1xyz s PHE 720 CO 0.08 -0.74 1.92 1.96 0.70 0.00 0.00 175.22 179.13 1xyz h GLN 721 N 8.75 1.27 -4.86 0.44 4.20 -1.57 -0.39 115.11 122.96 1xyz h GLN 721 Ca -0.26 -0.08 -0.30 0.00 0.06 0.00 0.00 58.65 58.08 1xyz h GLN 721 Cb 1.11 -0.29 0.12 0.00 0.30 0.00 0.00 27.48 28.72 1xyz h GLN 721 CO 0.83 0.84 -0.56 0.00 -0.67 0.00 0.00 178.83 179.27 1xyz s HIS 723 N -3.27 3.26 0.28 0.00 3.76 -1.26 -2.32 115.29 115.74 1xyz s HIS 723 Ca 0.29 -1.73 0.04 0.00 -0.15 0.00 0.00 55.06 53.52 1xyz s HIS 723 Cb -0.13 -4.33 -0.03 0.00 1.11 0.00 0.00 32.58 29.20 1xyz s HIS 723 CO 0.58 -1.47 0.42 -0.06 -0.85 0.00 0.00 174.74 173.36 1xyz s PHE 724 N 2.31 3.42 -0.13 1.40 0.08 -0.50 -4.96 117.98 119.60 1xyz s PHE 724 Ca 0.39 0.05 -0.06 0.00 0.12 0.00 0.00 56.93 57.43 1xyz s PHE 724 Cb -0.03 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 1xyz s PHE 724 CO -0.04 0.30 0.08 0.42 -0.10 0.00 0.00 175.22 175.88 1xyz s ILE 725 N -2.09 5.01 0.43 0.64 1.01 -1.26 -1.63 121.20 123.31 1xyz s ILE 725 Ca 0.37 0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.81 1xyz s ILE 725 Cb -0.09 -3.19 -0.10 0.00 0.01 0.00 0.00 42.46 39.09 1xyz s ILE 725 CO 0.31 0.56 1.03 -3.20 0.00 0.00 0.00 174.94 173.64 1xyz n ASN 726 N 2.53 1.35 -0.11 3.58 5.15 -0.45 -3.85 115.26 123.45 1xyz n ASN 726 Ca -0.18 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.82 1xyz n ASN 726 Cb 0.54 -1.37 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 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 1.16 1.13 3.73 8.20 0.00 -1.26 -5.02 105.19 113.13 1xyz n GLY 727 Ca 0.09 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1xyz n GLY 727 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xyz s MET 728 N -2.26 4.21 0.65 1.61 -1.94 -1.25 -5.00 119.30 115.33 1xyz s MET 728 Ca 0.00 2.39 -0.12 0.00 -1.71 0.00 0.00 55.69 56.25 1xyz s MET 728 Cb 0.00 -3.12 -0.02 0.00 2.01 0.00 0.00 34.83 33.71 1xyz s MET 728 CO 0.00 -0.57 1.05 -1.54 -0.01 0.00 0.00 175.02 173.95 1xyz s SER 729 N 0.84 5.70 0.41 3.03 1.04 -1.26 -4.91 113.70 118.55 1xyz s SER 729 Ca 0.66 1.61 0.11 0.00 0.48 0.00 0.00 55.95 58.81 1xyz s SER 729 Cb -0.44 -2.50 0.85 0.00 0.10 0.00 0.00 66.02 64.03 1xyz s SER 729 CO 0.37 -1.23 1.95 -0.65 0.98 0.00 0.00 173.24 174.66 1xyz h PRO 730 N -0.32 0.19 -0.20 4.02 0.11 -1.99 -1.71 132.00 132.10 1xyz h PRO 730 Ca -0.45 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 1xyz h PRO 730 Cb 1.21 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xyz h PRO 730 CO 0.58 0.32 -0.56 0.93 -0.21 0.00 0.00 178.00 179.06 1xyz h GLU 731 N 0.19 0.62 0.05 1.05 3.07 -1.98 -0.62 114.58 116.96 1xyz h GLU 731 Ca 0.04 -0.39 -0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1xyz h GLU 731 Cb 0.32 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1xyz h GLU 731 CO 0.02 1.01 -0.03 -0.92 -1.40 0.00 0.00 179.01 177.69 1xyz h TYR 732 N 0.47 -0.07 -0.71 4.33 3.20 -1.78 -1.83 116.97 120.58 1xyz h TYR 732 Ca 0.01 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1xyz h TYR 732 Cb 1.12 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 1xyz h TYR 732 CO 0.05 0.25 0.47 -0.07 -1.64 0.00 0.00 178.16 177.22 1xyz h LEU 733 N -0.39 0.73 -0.60 2.82 3.38 -1.32 -1.75 115.31 118.18 1xyz h LEU 733 Ca -0.01 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1xyz h LEU 733 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1xyz h LEU 733 CO 0.01 0.50 0.06 0.00 0.09 0.00 0.00 178.44 179.10 1xyz h ALA 734 N 1.59 0.80 -0.22 1.53 0.00 -0.95 -2.37 119.26 119.63 1xyz h ALA 734 Ca 0.29 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1xyz h ALA 734 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xyz h ALA 734 CO -0.09 0.58 -0.17 0.66 0.00 0.00 0.00 179.25 180.24 1xyz h SER 735 N 0.91 0.36 -0.13 0.00 4.64 -0.49 -1.46 113.55 117.38 1xyz h SER 735 Ca 0.18 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1xyz h SER 735 Cb 0.47 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1xyz h SER 735 CO 0.02 0.55 0.04 0.40 -0.87 0.00 0.00 176.83 176.97 1xyz h ILE 736 N 0.34 1.18 -0.98 0.95 2.04 -1.12 -0.51 117.51 119.41 1xyz h ILE 736 Ca 0.06 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1xyz h ILE 736 Cb 0.50 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1xyz h ILE 736 CO 0.03 0.16 0.63 -0.78 0.00 0.00 0.00 178.15 178.19 1xyz h ASP 737 N 0.02 1.15 -0.31 1.72 3.58 -1.16 -0.63 116.42 120.80 1xyz h ASP 737 Ca 0.04 -0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1xyz h ASP 737 Cb 0.22 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 1xyz h ASP 737 CO -0.00 0.86 -0.18 1.56 -2.88 0.00 0.00 179.24 178.59 1xyz h GLN 738 N 1.34 0.77 -0.51 0.28 7.50 -1.11 -2.29 115.11 121.10 1xyz h GLN 738 Ca 0.36 -0.29 -0.03 0.00 0.50 0.00 0.00 58.65 59.18 1xyz h GLN 738 Cb -0.11 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.35 1xyz h GLN 738 CO -0.07 0.90 0.20 -0.97 -1.50 0.00 0.00 178.83 177.39 1xyz h ASN 739 N 0.68 0.71 -0.85 1.46 -1.24 -0.30 -2.15 115.58 113.89 1xyz h ASN 739 Ca 0.10 -0.17 0.02 0.00 0.71 0.00 0.00 56.30 56.96 1xyz h ASN 739 Cb 0.68 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.51 1xyz h ASN 739 CO 0.05 0.69 0.56 0.40 -1.29 0.00 0.00 177.43 177.84 1xyz h ILE 740 N 0.69 1.18 -0.38 2.57 2.04 -0.89 -2.45 117.51 120.27 1xyz h ILE 740 Ca 0.17 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 1xyz h ILE 740 Cb 0.20 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1xyz h ILE 740 CO -0.01 0.20 -0.15 0.11 0.00 0.00 0.00 178.15 178.30 1xyz h LYS 741 N 1.11 0.70 -0.10 2.37 1.57 -0.90 -1.73 116.57 119.59 1xyz h LYS 741 Ca 0.33 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1xyz h LYS 741 Cb -0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1xyz h LYS 741 CO -0.09 0.81 -0.44 0.07 -0.57 0.00 0.00 179.45 179.24 1xyz h ARG 742 N 0.63 0.22 -0.44 3.15 0.11 -0.94 -2.15 114.38 114.96 1xyz h ARG 742 Ca 0.10 -0.11 -0.10 0.00 0.10 0.00 0.00 59.98 59.97 1xyz h ARG 742 Cb 0.60 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.67 1xyz h ARG 742 CO 0.04 0.62 -0.13 1.88 0.10 0.00 0.00 179.97 182.49 1xyz h TYR 743 N 0.18 0.90 -0.48 4.08 0.05 -1.16 -2.64 116.97 117.91 1xyz h TYR 743 Ca 0.01 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.60 1xyz h TYR 743 Cb 0.85 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 1xyz h TYR 743 CO 0.01 0.89 0.22 0.00 -1.05 0.00 0.00 178.16 178.24 1xyz h ALA 744 N 1.12 1.50 0.00 3.88 0.00 -0.80 -1.76 119.26 123.21 1xyz h ALA 744 Ca 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xyz h ALA 744 Cb 0.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xyz h ALA 744 CO 0.04 0.40 -0.13 0.93 0.00 0.00 0.00 179.25 180.49 1xyz h GLU 745 N 0.67 0.00 -0.61 0.00 5.08 -1.02 -2.02 114.58 116.66 1xyz h GLU 745 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xyz h GLU 745 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xyz h GLU 745 CO -0.02 0.13 0.00 0.44 -1.00 0.00 0.00 179.01 178.56 1xyz n ILE 746 N -3.61 1.56 -2.08 3.13 -5.35 -0.73 -4.97 119.36 107.31 1xyz n ILE 746 Ca -0.02 -1.17 -0.07 0.00 -0.27 0.00 0.00 62.75 61.22 1xyz n ILE 746 Cb 0.26 0.24 -0.01 0.00 -1.74 0.00 0.00 39.64 38.40 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 1.09 0.12 3.53 3.28 0.00 -0.76 -5.05 105.19 107.41 1xyz n GLY 747 Ca 0.24 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.36 3.83 0.48 1.61 1.01 -0.76 -4.97 120.40 119.23 1xyz s VAL 748 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1xyz s VAL 748 Cb 0.00 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 1xyz s VAL 748 CO 0.00 0.54 0.98 -0.63 0.00 0.00 0.00 175.10 175.98 1xyz s ILE 749 N -0.11 4.40 -0.08 2.22 -1.09 -0.76 -3.99 121.20 121.79 1xyz s ILE 749 Ca 0.02 1.32 0.03 0.00 -2.23 0.00 0.00 60.65 59.79 1xyz s ILE 749 Cb -0.13 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1xyz s ILE 749 CO 0.03 -0.49 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.37 1xyz s VAL 750 N -2.38 1.62 -0.02 2.92 1.01 0.06 -0.67 120.40 122.95 1xyz s VAL 750 Ca 0.61 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1xyz s VAL 750 Cb -0.10 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1xyz s VAL 750 CO 0.23 0.46 -0.26 -0.44 0.00 0.00 0.00 175.10 175.09 1xyz s SER 751 N 0.51 3.00 -0.31 3.32 0.01 -0.72 -3.71 113.70 115.79 1xyz s SER 751 Ca -0.17 -0.46 -0.20 0.00 1.31 0.00 0.00 55.95 56.43 1xyz s SER 751 Cb -0.17 -0.33 -0.01 0.00 0.21 0.00 0.00 66.02 65.72 1xyz s SER 751 CO 0.06 0.31 0.62 -0.36 0.41 0.00 0.00 173.24 174.29 1xyz s PHE 752 N -0.60 3.20 -0.13 2.43 0.08 -0.30 -0.85 117.98 121.81 1xyz s PHE 752 Ca 0.10 0.53 0.16 0.00 0.12 0.00 0.00 56.93 57.83 1xyz s PHE 752 Cb -0.10 -3.01 -0.22 0.00 -0.57 0.00 0.00 43.02 39.12 1xyz s PHE 752 CO -0.01 -0.50 0.15 0.25 -0.10 0.00 0.00 175.22 175.01 1xyz n THR 753 N 5.43 0.84 -2.72 0.64 -2.24 -0.16 -0.75 114.28 115.32 1xyz n THR 753 Ca -0.01 -0.63 -0.06 0.00 -2.27 0.00 0.00 64.05 61.08 1xyz n THR 753 Cb 0.49 -0.39 0.05 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.49 1.33 -1.75 -0.78 1.02 -0.56 -4.57 120.64 112.84 1xyz n GLU 754 Ca -0.21 -3.11 -0.42 0.00 -0.02 0.00 0.00 57.16 53.40 1xyz n GLU 754 Cb 0.89 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 31.11 1xyz n GLU 754 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xyz s ILE 755 N -2.90 2.09 -0.16 -3.67 1.01 -0.19 -4.00 121.20 113.37 1xyz s ILE 755 Ca 0.26 0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.77 1xyz s ILE 755 Cb 0.41 -3.04 0.05 0.00 0.01 0.00 0.00 42.46 39.90 1xyz s ILE 755 CO -0.00 0.01 0.54 1.51 0.00 0.00 0.00 174.94 176.99 1xyz s ASP 756 N 1.11 -0.54 -0.40 3.58 1.47 -0.98 -0.65 116.67 120.26 1xyz s ASP 756 Ca 0.73 0.94 0.03 0.00 1.18 0.00 0.00 52.55 55.43 1xyz s ASP 756 Cb -0.49 0.95 0.11 0.00 -0.34 0.00 0.00 42.92 43.16 1xyz s ASP 756 CO 0.33 -0.28 0.15 -0.63 0.68 0.00 0.00 175.17 175.43 1xyz s ILE 757 N -0.09 2.00 0.13 2.11 1.01 -1.01 -1.41 121.20 123.93 1xyz s ILE 757 Ca -0.03 -2.52 -0.30 0.00 0.00 0.00 0.00 60.65 57.80 1xyz s ILE 757 Cb -0.03 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.93 1xyz s ILE 757 CO 0.02 -0.72 1.03 0.00 0.00 0.00 0.00 174.94 175.28 1xyz s ARG 758 N 0.57 4.63 -0.20 2.79 1.70 -0.65 -4.17 118.95 123.62 1xyz s ARG 758 Ca 0.14 1.58 -0.07 0.00 -0.47 0.00 0.00 55.73 56.90 1xyz s ARG 758 Cb -0.22 -3.34 -0.04 0.00 -0.57 0.00 0.00 34.95 30.79 1xyz s ARG 758 CO -0.07 0.12 0.07 0.42 -1.08 0.00 0.00 175.30 174.76 1xyz s ILE 759 N 0.00 4.67 0.30 4.99 1.01 -0.54 -1.35 121.20 130.29 1xyz s ILE 759 Ca 0.49 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.77 1xyz s ILE 759 Cb -0.26 -3.13 -0.11 0.00 0.01 0.00 0.00 42.46 38.97 1xyz s ILE 759 CO 0.32 0.42 1.57 -2.84 0.00 0.00 0.00 174.94 174.41 1xyz s PRO 760 N 0.74 4.12 0.86 2.79 0.02 -1.26 -1.65 135.00 140.62 1xyz s PRO 760 Ca 0.03 2.57 -0.12 0.00 0.02 0.00 0.00 61.00 63.51 1xyz s PRO 760 Cb -0.13 -3.02 0.11 0.00 0.02 0.00 0.00 34.50 31.48 1xyz s PRO 760 CO 0.02 -0.61 1.14 0.94 -0.33 0.00 0.00 177.00 178.16 1xyz n GLN 761 N 1.91 -0.12 -0.38 5.54 7.27 0.21 -3.50 117.38 128.30 1xyz n GLN 761 Ca 0.07 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1xyz n GLN 761 Cb 0.38 -2.38 0.00 0.00 2.41 0.00 0.00 30.24 30.65 1xyz n GLN 761 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1xyz n SER 762 N -3.59 -1.35 -4.83 1.69 7.64 -1.26 -4.91 113.62 106.99 1xyz n SER 762 Ca 0.13 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.68 1xyz n SER 762 Cb 0.51 -1.66 -0.03 0.00 -1.01 0.00 0.00 64.21 62.03 1xyz n SER 762 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1xyz s GLU 763 N -0.76 3.83 -0.31 1.43 -1.05 -1.23 -4.90 118.70 115.71 1xyz s GLU 763 Ca 0.00 1.01 -0.34 0.00 -0.15 0.00 0.00 54.97 55.49 1xyz s GLU 763 Cb 0.00 -2.12 -0.11 0.00 -0.44 0.00 0.00 34.13 31.47 1xyz s GLU 763 CO 0.00 -0.37 2.15 -1.71 0.95 0.00 0.00 175.26 176.28 1xyz n ASN 764 N -1.64 2.39 0.23 0.83 5.15 -1.26 -4.83 115.26 116.13 1xyz n ASN 764 Ca 0.07 0.46 0.13 0.00 -0.60 0.00 0.00 54.58 54.63 1xyz n ASN 764 Cb 0.54 -1.30 0.75 0.00 -0.53 0.00 0.00 39.78 39.23 1xyz n ASN 764 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1xyz h PRO 765 N 12.26 0.00 0.24 1.20 0.11 -1.96 -1.41 132.00 142.43 1xyz h PRO 765 Ca -0.31 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1xyz h PRO 765 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1xyz h PRO 765 CO 1.00 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.68 1xyz h ALA 766 N 1.94 -0.97 -0.17 -0.75 0.00 -2.00 -1.32 119.26 115.99 1xyz h ALA 766 Ca 0.04 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1xyz h ALA 766 Cb 0.18 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xyz h ALA 766 CO -0.00 -0.95 -0.44 1.79 0.00 0.00 0.00 179.25 179.66 1xyz h THR 767 N -0.35 1.31 -0.40 0.00 1.35 -1.97 -3.10 112.91 109.76 1xyz h THR 767 Ca -0.03 -1.61 0.04 0.00 -0.55 0.00 0.00 66.41 64.26 1xyz h THR 767 Cb 0.24 1.66 -0.04 0.00 -1.73 0.00 0.00 68.15 68.28 1xyz h THR 767 CO 0.05 0.49 0.16 0.00 -0.25 0.00 0.00 175.52 175.98 1xyz h ALA 768 N 1.20 0.48 0.00 6.62 0.00 -1.35 -1.86 119.26 124.35 1xyz h ALA 768 Ca 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xyz h ALA 768 Cb 0.90 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xyz h ALA 768 CO 0.08 -0.22 -0.11 0.74 0.00 0.00 0.00 179.25 179.74 1xyz h PHE 769 N 0.34 0.00 -0.05 0.00 -1.00 -1.16 -1.61 116.94 113.46 1xyz h PHE 769 Ca 0.18 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.72 1xyz h PHE 769 Cb 0.14 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.71 1xyz h PHE 769 CO -0.13 0.11 -0.90 1.96 -1.61 0.00 0.00 178.31 177.74 1xyz h GLN 770 N 0.00 0.69 -0.67 1.51 1.08 -1.32 -2.32 115.11 114.08 1xyz h GLN 770 Ca -0.00 -0.68 -0.05 0.00 -1.45 0.00 0.00 58.65 56.47 1xyz h GLN 770 Cb 0.21 0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 1xyz h GLN 770 CO 0.01 1.27 0.23 0.28 -0.95 0.00 0.00 178.83 179.68 1xyz h VAL 771 N 0.37 1.25 -0.69 -0.54 2.07 -1.03 -1.74 116.25 115.94 1xyz h VAL 771 Ca -0.10 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1xyz h VAL 771 Cb 1.55 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1xyz h VAL 771 CO 0.18 0.33 0.43 -0.61 0.02 0.00 0.00 177.57 177.92 1xyz h GLN 772 N 0.97 0.92 -0.59 1.57 4.15 -1.34 0.31 115.11 121.11 1xyz h GLN 772 Ca 0.22 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.58 1xyz h GLN 772 Cb 0.27 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1xyz h GLN 772 CO -0.01 0.63 0.38 0.00 -1.93 0.00 0.00 178.83 177.91 1xyz h ALA 773 N 1.23 0.75 -0.75 3.38 0.00 -1.04 -0.06 119.26 122.78 1xyz h ALA 773 Ca 0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1xyz h ALA 773 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1xyz h ALA 773 CO -0.05 0.16 0.30 -0.91 0.00 0.00 0.00 179.25 178.75 1xyz h ASN 774 N 0.78 1.03 -0.38 0.00 2.35 -0.66 -0.67 115.58 118.03 1xyz h ASN 774 Ca 0.22 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1xyz h ASN 774 Cb -0.06 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 1xyz h ASN 774 CO -0.06 0.91 0.17 0.78 -1.65 0.00 0.00 177.43 177.58 1xyz h ASN 775 N 1.07 0.52 -0.57 5.81 -0.26 -0.38 -0.52 115.58 121.26 1xyz h ASN 775 Ca 0.25 -0.15 -0.06 0.00 -0.56 0.00 0.00 56.30 55.78 1xyz h ASN 775 Cb 0.21 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1xyz h ASN 775 CO -0.02 0.53 0.14 1.88 -1.06 0.00 0.00 177.43 178.89 1xyz h TYR 776 N 0.48 0.95 -0.63 1.19 0.05 -0.86 -2.10 116.97 116.05 1xyz h TYR 776 Ca 0.13 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1xyz h TYR 776 Cb 0.16 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 1xyz h TYR 776 CO -0.01 0.82 0.38 -0.22 -1.05 0.00 0.00 178.16 178.08 1xyz h LYS 777 N 0.81 0.85 -0.55 4.88 3.64 -0.94 -1.58 116.57 123.68 1xyz h LYS 777 Ca 0.18 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1xyz h LYS 777 Cb 0.35 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1xyz h LYS 777 CO 0.00 0.60 0.00 0.93 -2.27 0.00 0.00 179.45 178.72 1xyz h GLU 778 N 0.85 0.95 -0.42 1.90 4.39 -0.90 -1.65 114.58 119.70 1xyz h GLU 778 Ca 0.22 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1xyz h GLU 778 Cb -0.03 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1xyz h GLU 778 CO -0.04 0.94 0.24 1.25 -1.16 0.00 0.00 179.01 180.23 1xyz h LEU 779 N 0.88 0.51 -0.95 1.33 5.85 -1.12 -1.48 115.31 120.32 1xyz h LEU 779 Ca 0.16 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1xyz h LEU 779 Cb 0.51 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1xyz h LEU 779 CO 0.03 0.43 0.12 -0.03 -0.34 0.00 0.00 178.44 178.65 1xyz h MET 780 N 0.55 0.88 -0.70 1.25 4.05 -1.07 -2.06 114.93 117.83 1xyz h MET 780 Ca 0.15 -0.19 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 1xyz h MET 780 Cb 0.03 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 1xyz h MET 780 CO -0.03 0.80 0.28 0.87 0.23 0.00 0.00 176.91 179.06 1xyz h LYS 781 N 0.84 1.04 -0.52 0.39 1.57 -0.91 -0.93 116.57 118.05 1xyz h LYS 781 Ca 0.18 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1xyz h LYS 781 Cb 0.34 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1xyz h LYS 781 CO 0.00 0.85 0.19 0.82 -0.57 0.00 0.00 179.45 180.74 1xyz h ILE 782 N 1.02 1.22 -0.35 1.86 2.04 -0.97 -0.36 117.51 121.97 1xyz h ILE 782 Ca 0.24 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1xyz h ILE 782 Cb 0.20 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1xyz h ILE 782 CO -0.02 0.27 0.22 0.00 0.00 0.00 0.00 178.15 178.61 1xyz h LEU 784 N 0.44 0.23 -0.59 0.00 3.38 -0.91 -3.01 115.31 114.85 1xyz h LEU 784 Ca 0.13 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1xyz h LEU 784 Cb -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xyz h LEU 784 CO -0.05 0.47 -0.36 0.00 0.09 0.00 0.00 178.44 178.59 1xyz h ALA 785 N 1.55 0.88 -2.94 1.53 0.00 -0.77 -3.44 119.26 116.06 1xyz h ALA 785 Ca 0.04 -0.33 -0.65 0.00 0.00 0.00 0.00 54.91 53.97 1xyz h ALA 785 Cb 0.53 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.04 1xyz h ALA 785 CO 0.04 0.45 -0.61 -0.80 0.00 0.00 0.00 179.25 178.32 1xyz s ASN 786 N -6.35 5.21 0.61 0.00 0.01 -1.03 -5.00 114.94 108.38 1xyz s ASN 786 Ca 0.02 -0.23 0.36 0.00 -0.71 0.00 0.00 52.86 52.30 1xyz s ASN 786 Cb 0.09 -1.94 1.96 0.00 0.41 0.00 0.00 41.25 41.77 1xyz s ASN 786 CO 0.69 -0.05 2.24 1.55 -1.51 0.00 0.00 177.10 180.02 1xyz h PRO 787 N 8.25 0.00 -0.59 -0.60 0.13 -1.85 -2.41 132.00 134.93 1xyz h PRO 787 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1xyz h PRO 787 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xyz h PRO 787 CO 0.58 0.03 0.00 0.27 -0.23 0.00 0.00 178.00 178.64 1xyz n ASN 788 N -3.38 3.36 -3.83 1.44 6.94 -1.26 -4.76 115.26 113.76 1xyz n ASN 788 Ca -0.02 -2.19 -0.30 0.00 -0.02 0.00 0.00 54.58 52.05 1xyz n ASN 788 Cb 0.14 -0.44 -0.16 0.00 -2.36 0.00 0.00 39.78 36.96 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 4.79 0.53 -3.88 0.00 4.13 -1.24 -4.68 115.26 114.90 1xyz n ASN 790 Ca -0.07 -2.21 -0.25 0.00 1.68 0.00 0.00 54.58 53.73 1xyz n ASN 790 Cb 0.44 -0.24 -0.17 0.00 -1.54 0.00 0.00 39.78 38.27 1xyz n ASN 790 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xyz s THR 791 N -0.64 0.81 -0.40 3.41 2.01 -1.26 -1.93 115.64 117.64 1xyz s THR 791 Ca 0.07 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1xyz s THR 791 Cb 0.06 -0.85 0.12 0.00 0.01 0.00 0.00 72.50 71.83 1xyz s THR 791 CO 0.01 0.32 0.16 0.12 -0.69 0.00 0.00 174.62 174.54 1xyz s PHE 792 N 1.56 2.68 -0.15 4.92 5.36 -0.29 -1.15 117.98 130.91 1xyz s PHE 792 Ca 0.01 -2.61 -0.00 0.00 -0.96 0.00 0.00 56.93 53.37 1xyz s PHE 792 Cb -0.13 -2.35 -0.01 0.00 -0.34 0.00 0.00 43.02 40.19 1xyz s PHE 792 CO -0.05 -0.84 -0.13 0.08 -1.46 0.00 0.00 175.22 172.82 1xyz s VAL 793 N 0.63 2.90 0.11 3.12 1.01 0.07 -1.13 120.40 127.11 1xyz s VAL 793 Ca 0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1xyz s VAL 793 Cb -0.22 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1xyz s VAL 793 CO -0.08 0.51 0.29 -0.04 0.00 0.00 0.00 175.10 175.78 1xyz s MET 794 N 0.67 3.50 -1.41 2.72 -1.94 -0.53 -1.02 119.30 121.30 1xyz s MET 794 Ca -0.07 -0.34 -0.07 0.00 -1.71 0.00 0.00 55.69 53.50 1xyz s MET 794 Cb -0.15 -2.95 0.06 0.00 2.01 0.00 0.00 34.83 33.80 1xyz s MET 794 CO 0.02 0.53 2.49 1.87 -0.01 0.00 0.00 175.02 179.93 1xyz n TRP 795 N 0.03 2.61 0.00 -0.03 -0.00 0.18 -2.38 117.44 117.85 1xyz n TRP 795 Ca -0.04 -2.90 0.00 0.00 -0.00 0.00 0.00 57.50 54.56 1xyz n TRP 795 Cb 0.52 -2.05 0.00 0.00 -0.00 0.00 0.00 31.31 29.78 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 2.39 2.18 0.00 5.87 0.00 -1.26 -4.85 105.19 109.52 1xyz n GLY 796 Ca 0.65 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.84 0.00 -5.24 1.61 -1.74 -1.26 -4.81 117.46 105.17 1xyz n PHE 797 Ca 0.00 0.00 -0.31 0.00 -0.56 0.00 0.00 57.45 56.58 1xyz n PHE 797 Cb 0.00 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 40.84 1xyz n PHE 797 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1xyz s THR 798 N -0.82 2.01 -0.32 1.97 -1.32 -1.26 -1.18 115.64 114.73 1xyz s THR 798 Ca 0.00 -1.05 0.17 0.00 -1.21 0.00 0.00 61.69 59.60 1xyz s THR 798 Cb 0.00 -1.70 0.17 0.00 -1.51 0.00 0.00 72.50 69.46 1xyz s THR 798 CO 0.00 0.56 1.51 0.47 -2.21 0.00 0.00 174.62 174.95 1xyz n ASP 799 N 2.91 0.44 0.12 8.08 8.00 -0.46 -1.78 116.55 133.85 1xyz n ASP 799 Ca -0.17 0.69 0.01 0.00 0.71 0.00 0.00 54.79 56.03 1xyz n ASP 799 Cb 0.52 -0.74 0.35 0.00 -0.02 0.00 0.00 41.12 41.22 1xyz n ASP 799 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1xyz h LYS 800 N 0.00 0.21 -4.08 -1.24 3.64 -1.84 -3.41 116.57 109.86 1xyz h LYS 800 Ca 0.00 -0.06 -0.60 0.00 -1.27 0.00 0.00 60.65 58.72 1xyz h LYS 800 Cb 0.06 -0.02 -0.39 0.00 -0.41 0.00 0.00 32.23 31.47 1xyz h LYS 800 CO 0.00 0.43 -0.76 0.71 -2.27 0.00 0.00 179.45 177.56 1xyz s TYR 801 N -4.53 2.24 -0.20 1.91 2.02 -0.74 -5.09 117.35 112.96 1xyz s TYR 801 Ca -0.05 -1.82 -0.26 0.00 -0.37 0.00 0.00 57.07 54.57 1xyz s TYR 801 Cb 0.15 -1.75 0.07 0.00 -0.40 0.00 0.00 41.96 40.03 1xyz s TYR 801 CO 0.74 -0.81 0.69 -0.08 -1.57 0.00 0.00 175.55 174.52 1xyz s THR 802 N 1.44 0.00 -0.53 -0.71 -1.32 -1.26 -4.68 115.64 108.59 1xyz s THR 802 Ca 0.02 -0.01 0.26 0.00 -1.21 0.00 0.00 61.69 60.74 1xyz s THR 802 Cb -0.18 -0.97 0.30 0.00 -1.51 0.00 0.00 72.50 70.14 1xyz s THR 802 CO -0.12 -0.00 1.75 4.11 -2.21 0.00 0.00 174.62 178.15 1xyz h TRP 803 N 4.44 0.00 0.10 9.09 5.08 -1.99 -3.40 115.95 129.28 1xyz h TRP 803 Ca -0.28 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.71 1xyz h TRP 803 Cb 1.16 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.27 1xyz h TRP 803 CO 0.39 0.00 -0.43 0.82 -1.28 0.00 0.00 178.44 177.94 1xyz h ILE 804 N 0.00 0.14 -0.82 0.12 1.08 -1.95 -2.59 117.51 113.49 1xyz h ILE 804 Ca 0.00 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.62 1xyz h ILE 804 Cb 0.70 0.14 -0.06 0.00 -3.07 0.00 0.00 36.82 34.53 1xyz h ILE 804 CO 0.00 0.00 0.54 -0.65 -0.69 0.00 0.00 178.15 177.35 1xyz h PRO 805 N -0.65 0.50 0.09 2.37 0.11 -1.77 0.60 132.00 133.25 1xyz h PRO 805 Ca 0.02 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.85 1xyz h PRO 805 Cb 0.68 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 1xyz h PRO 805 CO -0.26 0.33 -1.17 0.78 -0.21 0.00 0.00 178.00 177.47 1xyz h GLY 806 N 0.51 0.23 0.99 -0.55 0.00 -1.83 -3.28 103.07 99.15 1xyz h GLY 806 Ca 0.41 -0.58 -0.31 0.00 0.00 0.00 0.00 47.33 46.84 1xyz h GLY 806 CO -0.16 0.51 -1.71 -0.84 0.00 0.00 0.00 176.54 174.34 1xyz h THR 807 N 0.06 0.91 -3.02 4.70 2.02 -1.02 -3.41 112.91 113.15 1xyz h THR 807 Ca -0.10 -2.65 -0.62 0.00 0.77 0.00 0.00 66.41 63.81 1xyz h THR 807 Cb 1.90 2.56 -0.42 0.00 -1.74 0.00 0.00 68.15 70.46 1xyz h THR 807 CO 0.18 0.72 -0.62 -0.36 0.37 0.00 0.00 175.52 175.82 1xyz s PHE 808 N -2.60 3.28 0.23 3.16 0.08 0.21 -5.09 117.98 117.25 1xyz s PHE 808 Ca -0.11 -3.22 -0.31 0.00 0.12 0.00 0.00 56.93 53.41 1xyz s PHE 808 Cb 0.07 -2.52 -0.14 0.00 -0.57 0.00 0.00 43.02 39.87 1xyz s PHE 808 CO 0.82 -0.58 1.37 -2.30 -0.10 0.00 0.00 175.22 174.42 1xyz n PRO 809 N 2.11 1.90 -0.21 0.24 -0.02 -1.23 -1.91 135.00 135.88 1xyz n PRO 809 Ca 0.20 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1xyz n PRO 809 Cb 0.36 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1xyz n PRO 809 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xyz n GLY 810 N 2.13 0.67 3.41 -1.23 0.00 -1.26 -5.04 105.19 103.87 1xyz n GLY 810 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.48 2.14 0.00 1.61 1.51 -0.80 0.65 117.35 119.97 1xyz s TYR 811 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1xyz s TYR 811 Cb 0.00 -1.03 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 1xyz s TYR 811 CO 0.00 0.50 0.00 0.41 -1.11 0.00 0.00 175.55 175.35 1xyz n GLY 812 N 0.03 1.16 3.98 0.71 0.00 -0.66 -3.86 105.19 106.55 1xyz n GLY 812 Ca -0.11 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.09 -3.50 -0.31 1.61 5.03 -1.26 -1.46 115.26 115.28 1xyz n ASN 813 Ca 0.00 -1.07 0.13 0.00 0.87 0.00 0.00 54.58 54.51 1xyz n ASN 813 Cb 0.00 -1.33 0.36 0.00 -1.02 0.00 0.00 39.78 37.80 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 -4.17 0.99 -2.96 3.52 -0.05 -1.26 -4.56 135.00 126.51 1xyz n PRO 814 Ca -0.12 -0.61 -0.14 0.00 -0.05 0.00 0.00 63.50 62.58 1xyz n PRO 814 Cb 0.48 -1.49 -0.02 0.00 -0.05 0.00 0.00 33.50 32.43 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 -0.47 0.00 0.08 1.53 4.77 -1.26 -2.40 117.00 119.26 1xyz n LEU 815 Ca 0.13 -1.48 0.12 0.00 -0.03 0.00 0.00 56.01 54.75 1xyz n LEU 815 Cb 0.36 0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.71 1xyz n LEU 815 CO 0.25 -0.33 0.42 0.16 -1.33 0.00 0.00 177.39 176.56 1xyz h ILE 816 N 0.84 0.00 -4.29 -0.08 3.07 -1.86 -3.46 117.51 111.73 1xyz h ILE 816 Ca -0.19 -0.59 -0.70 0.00 1.55 0.00 0.00 64.86 64.94 1xyz h ILE 816 Cb 0.63 1.25 -0.26 0.00 -0.27 0.00 0.00 36.82 38.16 1xyz h ILE 816 CO 0.30 0.00 -0.88 -0.31 -1.05 0.00 0.00 178.15 176.22 1xyz s TYR 817 N -3.18 2.33 0.81 0.16 1.51 -0.32 -1.03 117.35 117.62 1xyz s TYR 817 Ca 0.06 -0.41 -0.14 0.00 -1.01 0.00 0.00 57.07 55.58 1xyz s TYR 817 Cb 0.12 -1.40 0.19 0.00 -0.11 0.00 0.00 41.96 40.76 1xyz s TYR 817 CO 0.71 0.13 1.10 -0.40 -1.11 0.00 0.00 175.55 175.97 1xyz n ASP 818 N 1.77 0.10 0.00 2.29 5.68 -0.02 -1.36 116.55 125.01 1xyz n ASP 818 Ca -0.17 -1.41 0.05 0.00 -0.50 0.00 0.00 54.79 52.76 1xyz n ASP 818 Cb 0.52 -0.84 0.23 0.00 -1.14 0.00 0.00 41.12 39.89 1xyz n ASP 818 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1xyz n SER 819 N -3.70 0.00 -0.82 -1.12 3.41 -1.26 -1.66 113.62 108.47 1xyz n SER 819 Ca 0.14 0.29 0.07 0.00 -0.26 0.00 0.00 58.87 59.11 1xyz n SER 819 Cb 0.48 -0.37 0.20 0.00 -0.26 0.00 0.00 64.21 64.26 1xyz n SER 819 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xyz n ASN 820 N -1.37 3.36 -1.36 4.04 3.02 -1.26 -4.69 115.26 116.99 1xyz n ASN 820 Ca 0.04 -2.27 -0.13 0.00 -0.03 0.00 0.00 54.58 52.18 1xyz n ASN 820 Cb 0.09 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 38.89 1xyz n ASN 820 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1xyz n TYR 821 N 0.39 -0.43 -3.47 3.10 4.01 -0.66 -5.02 117.16 115.07 1xyz n TYR 821 Ca 0.16 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.52 1xyz n TYR 821 Cb 0.58 -2.75 -0.06 0.00 -0.31 0.00 0.00 39.34 36.80 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 -2.54 6.66 0.27 7.72 0.01 -1.26 -4.84 114.94 120.96 1xyz s ASN 822 Ca 0.00 0.78 -0.30 0.00 -0.71 0.00 0.00 52.86 52.63 1xyz s ASN 822 Cb 0.00 -2.24 -0.10 0.00 0.41 0.00 0.00 41.25 39.32 1xyz s ASN 822 CO 0.00 0.17 1.47 -2.84 -1.51 0.00 0.00 177.10 174.39 1xyz s PRO 823 N -0.16 4.23 0.62 -0.60 0.02 -1.26 -0.84 135.00 137.01 1xyz s PRO 823 Ca 0.22 2.37 -0.02 0.00 0.02 0.00 0.00 61.00 63.59 1xyz s PRO 823 Cb -0.15 -3.08 0.05 0.00 0.02 0.00 0.00 34.50 31.34 1xyz s PRO 823 CO 0.10 -0.46 0.88 0.15 -0.33 0.00 0.00 177.00 177.34 1xyz s LYS 824 N -0.58 2.34 0.38 5.54 1.02 -0.20 -4.84 119.74 123.40 1xyz s LYS 824 Ca 0.59 -0.61 0.12 0.00 0.02 0.00 0.00 55.97 56.09 1xyz s LYS 824 Cb -0.43 -2.36 0.91 0.00 -0.52 0.00 0.00 37.83 35.43 1xyz s LYS 824 CO 0.46 -0.97 1.89 -1.35 -0.92 0.00 0.00 175.35 174.46 1xyz h PRO 825 N -0.23 0.56 -0.85 -1.68 0.11 -1.86 -1.19 132.00 126.87 1xyz h PRO 825 Ca -0.43 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.79 1xyz h PRO 825 Cb 1.30 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 1xyz h PRO 825 CO 0.54 0.37 0.55 0.00 -0.21 0.00 0.00 178.00 179.26 1xyz h ALA 826 N 1.62 1.89 0.02 -0.75 0.00 -1.85 -1.11 119.26 119.08 1xyz h ALA 826 Ca 0.42 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1xyz h ALA 826 Cb 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xyz h ALA 826 CO -0.17 -0.12 -0.01 -0.92 0.00 0.00 0.00 179.25 178.03 1xyz h TYR 827 N 0.63 -0.02 -0.70 0.00 5.03 -1.33 -2.19 116.97 118.39 1xyz h TYR 827 Ca 0.42 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.66 1xyz h TYR 827 Cb 0.73 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.99 1xyz h TYR 827 CO -0.00 0.02 0.16 -0.91 -1.32 0.00 0.00 178.16 176.11 1xyz h ASN 828 N -0.06 1.06 -0.80 -2.11 2.35 -1.45 -2.48 115.58 112.09 1xyz h ASN 828 Ca -0.00 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1xyz h ASN 828 Cb 0.05 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 1xyz h ASN 828 CO 0.00 1.02 0.49 0.00 -1.65 0.00 0.00 177.43 177.30 1xyz h ALA 829 N 1.10 1.02 -0.31 -0.83 0.00 -1.10 0.14 119.26 119.29 1xyz h ALA 829 Ca 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1xyz h ALA 829 Cb 0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xyz h ALA 829 CO 0.00 0.48 -0.05 0.82 0.00 0.00 0.00 179.25 180.50 1xyz h ILE 830 N 1.10 1.27 -0.73 0.00 2.04 -1.28 -0.92 117.51 118.99 1xyz h ILE 830 Ca 0.29 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 65.10 1xyz h ILE 830 Cb -0.05 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1xyz h ILE 830 CO -0.06 0.35 0.46 0.50 0.00 0.00 0.00 178.15 179.40 1xyz h LYS 831 N 0.37 0.88 -0.07 2.37 3.64 -1.00 -1.66 116.57 121.10 1xyz h LYS 831 Ca 0.08 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1xyz h LYS 831 Cb 0.53 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1xyz h LYS 831 CO 0.03 0.58 -0.51 1.05 -2.27 0.00 0.00 179.45 178.32 1xyz h GLU 832 N 0.90 0.19 -0.01 1.90 4.11 -0.55 -2.23 114.58 118.89 1xyz h GLU 832 Ca 0.29 -0.11 -0.03 0.00 0.07 0.00 0.00 59.36 59.58 1xyz h GLU 832 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1xyz h GLU 832 CO -0.10 0.66 -0.15 0.00 0.07 0.00 0.00 179.01 179.49 1xyz h ALA 833 N 1.32 1.73 0.00 1.06 0.00 -0.47 -2.71 119.26 120.20 1xyz h ALA 833 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1xyz h ALA 833 Cb 0.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1xyz h ALA 833 CO 0.08 0.20 -0.28 -0.07 0.00 0.00 0.00 179.25 179.18 1xyz h LEU 834 N 0.02 0.00 -0.37 0.00 3.38 -0.75 -3.47 115.31 114.11 1xyz h LEU 834 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xyz h LEU 834 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xyz h LEU 834 CO 0.02 0.28 0.00 0.23 0.09 0.00 0.00 178.44 179.06