#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukj s HIS 502 N 0.00 3.22 -0.31 2.03 0.09 -1.26 -4.87 115.29 114.19 1ukj s HIS 502 Ca 0.00 -0.47 0.18 0.00 -0.00 0.00 0.00 55.06 54.77 1ukj s HIS 502 Cb 0.00 -2.47 0.46 0.00 -0.00 0.00 0.00 32.58 30.57 1ukj s HIS 502 CO 0.00 -0.47 1.29 0.41 -0.00 0.00 0.00 174.74 175.97 1ukj n GLY 503 N 5.08 1.83 0.00 -2.22 0.00 -1.26 -4.21 105.19 104.41 1ukj n GLY 503 Ca -0.12 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1ukj n GLY 503 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ukj n SER 504 N -0.94 0.00 -1.52 1.61 7.64 -1.26 -4.59 113.62 114.56 1ukj n SER 504 Ca -0.04 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1ukj n SER 504 Cb 0.84 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 1ukj n SER 504 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ukj n ASN 505 N -0.82 -8.28 0.00 6.43 2.85 -1.26 -4.45 115.26 109.72 1ukj n ASN 505 Ca 0.00 1.22 0.00 0.00 -0.11 0.00 0.00 54.58 55.69 1ukj n ASN 505 Cb 0.00 -4.57 0.00 0.00 1.24 0.00 0.00 39.78 36.45 1ukj n ASN 505 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1ukj n LYS 506 N -0.96 0.00 -0.06 1.20 4.81 -1.26 -4.28 118.16 117.61 1ukj n LYS 506 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1ukj n LYS 506 Cb 0.02 -1.10 -0.01 0.00 0.02 0.00 0.00 35.03 33.95 1ukj n LYS 506 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ukj n LEU 507 N 0.00 1.61 -4.76 3.14 -0.00 -1.26 -4.92 117.00 110.80 1ukj n LEU 507 Ca 0.00 0.58 -0.38 0.00 -0.00 0.00 0.00 56.01 56.21 1ukj n LEU 507 Cb 0.00 -0.82 0.01 0.00 -0.00 0.00 0.00 43.42 42.60 1ukj n LEU 507 CO 0.00 -0.47 0.93 -2.84 -0.00 0.00 0.00 177.39 175.01 1ukj s PRO 508 N -2.13 3.64 0.98 1.96 0.02 -1.26 -4.95 135.00 133.25 1ukj s PRO 508 Ca -0.14 2.07 -0.13 0.00 0.02 0.00 0.00 61.00 62.83 1ukj s PRO 508 Cb 0.02 -2.49 0.07 0.00 0.02 0.00 0.00 34.50 32.12 1ukj s PRO 508 CO 0.20 -0.74 0.48 0.41 -0.33 0.00 0.00 177.00 177.03 1ukj n GLY 509 N 0.61 -1.85 0.16 0.52 0.00 -1.26 -4.68 105.19 98.70 1ukj n GLY 509 Ca 0.07 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 1ukj n GLY 509 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ukj h PHE 510 N -1.73 -0.45 -1.15 1.61 3.04 -1.98 -1.23 116.94 115.05 1ukj h PHE 510 Ca -0.45 0.00 0.35 0.00 3.98 0.00 0.00 57.97 61.85 1ukj h PHE 510 Cb 1.29 0.17 -0.12 0.00 2.56 0.00 0.00 35.95 39.85 1ukj h PHE 510 CO 0.37 -0.22 0.72 0.00 -2.02 0.00 0.00 178.31 177.15 1ukj h ALA 511 N -1.52 2.37 -0.07 2.41 0.00 -1.97 0.34 119.26 120.82 1ukj h ALA 511 Ca -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ukj h ALA 511 Cb 0.29 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ukj h ALA 511 CO -0.01 -0.92 0.02 1.15 0.00 0.00 0.00 179.25 179.49 1ukj h THR 512 N 0.25 1.18 0.00 0.00 2.02 -1.79 -3.05 112.91 111.52 1ukj h THR 512 Ca 0.72 -0.55 -0.12 0.00 0.77 0.00 0.00 66.41 67.23 1ukj h THR 512 Cb 1.99 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.80 1ukj h THR 512 CO -0.42 0.16 -0.59 0.03 0.37 0.00 0.00 175.52 175.07 1ukj h ARG 513 N -0.09 0.00 0.00 6.66 3.08 0.70 -1.33 114.38 123.41 1ukj h ARG 513 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ukj h ARG 513 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1ukj h ARG 513 CO -0.00 0.59 0.00 0.00 -1.07 0.00 0.00 179.97 179.49 1ukj n ALA 514 N -2.42 1.60 -0.02 0.04 0.00 0.71 -1.47 120.51 118.94 1ukj n ALA 514 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1ukj n ALA 514 Cb 0.60 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 1ukj n ALA 514 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1ukj n ILE 515 N -1.44 0.29 -0.04 0.00 5.41 -1.05 -3.95 119.36 118.57 1ukj n ILE 515 Ca 0.04 -0.13 -0.05 0.00 1.00 0.00 0.00 62.75 63.61 1ukj n ILE 515 Cb 0.13 -0.74 -0.06 0.00 -0.71 0.00 0.00 39.64 38.26 1ukj n ILE 515 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1ukj n HIS 516 N -2.51 0.00 -1.44 1.39 8.25 -0.53 -5.00 115.22 115.37 1ukj n HIS 516 Ca -0.08 0.00 -0.57 0.00 -0.26 0.00 0.00 57.72 56.81 1ukj n HIS 516 Cb 0.60 -0.40 -0.08 0.00 1.12 0.00 0.00 29.99 31.24 1ukj n HIS 516 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ukj n HIS 517 N -2.44 0.86 -0.64 4.41 -0.00 -0.55 -1.16 115.22 115.70 1ukj n HIS 517 Ca -0.15 1.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.57 1ukj n HIS 517 Cb 0.75 -1.96 0.00 0.00 -0.00 0.00 0.00 29.99 28.77 1ukj n HIS 517 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ukj n GLY 518 N 1.98 1.38 2.90 1.57 0.00 -1.26 -4.62 105.19 107.14 1ukj n GLY 518 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1ukj n GLY 518 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ukj s TYR 519 N -3.52 0.86 -0.20 1.61 6.14 -0.31 -5.01 117.35 116.91 1ukj s TYR 519 Ca 0.00 -0.27 0.01 0.00 0.64 0.00 0.00 57.07 57.46 1ukj s TYR 519 Cb 0.00 -0.75 0.04 0.00 0.42 0.00 0.00 41.96 41.67 1ukj s TYR 519 CO 0.00 -0.23 -0.13 0.34 0.64 0.00 0.00 175.55 176.18 1ukj s ASP 520 N 1.00 3.49 0.54 4.32 2.15 -1.26 -4.74 116.67 122.17 1ukj s ASP 520 Ca -0.10 -0.91 0.27 0.00 0.43 0.00 0.00 52.55 52.24 1ukj s ASP 520 Cb -0.14 -1.34 1.43 0.00 -0.30 0.00 0.00 42.92 42.56 1ukj s ASP 520 CO -0.00 -0.12 1.98 -0.65 -0.17 0.00 0.00 175.17 176.21 1ukj h PRO 521 N 7.93 0.00 -0.00 4.34 0.11 -1.90 -0.75 132.00 141.73 1ukj h PRO 521 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1ukj h PRO 521 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ukj h PRO 521 CO 0.51 0.00 0.04 0.37 -0.21 0.00 0.00 178.00 178.70 1ukj h GLN 522 N 0.00 0.00 -0.02 1.05 4.15 -1.89 0.46 115.11 118.86 1ukj h GLN 522 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1ukj h GLN 522 Cb 1.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1ukj h GLN 522 CO -0.00 0.00 -0.11 -0.25 -1.93 0.00 0.00 178.83 176.54 1ukj n ASP 523 N -3.14 1.86 -2.91 -0.69 8.00 -0.29 -4.46 116.55 114.92 1ukj n ASP 523 Ca -0.03 -1.51 -0.15 0.00 0.71 0.00 0.00 54.79 53.81 1ukj n ASP 523 Cb 0.10 0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1ukj n ASP 523 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ukj n HIS 524 N 0.29 1.02 -1.90 1.24 8.25 -0.05 -4.95 115.22 119.13 1ukj n HIS 524 Ca 0.15 -3.36 -0.20 0.00 -0.26 0.00 0.00 57.72 54.05 1ukj n HIS 524 Cb 0.43 -0.39 -0.06 0.00 1.12 0.00 0.00 29.99 31.10 1ukj n HIS 524 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ukj n GLY 525 N 0.06 1.02 2.25 -1.41 0.00 -1.24 -1.80 105.19 104.07 1ukj n GLY 525 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1ukj n GLY 525 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukj n GLY 526 N -0.69 0.42 3.64 -0.02 0.00 -0.06 -4.96 105.19 103.53 1ukj n GLY 526 Ca -0.22 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1ukj n GLY 526 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj s ALA 527 N -1.79 3.39 0.06 4.61 0.00 -0.74 -4.88 121.76 122.41 1ukj s ALA 527 Ca 0.00 0.96 -0.25 0.00 0.00 0.00 0.00 51.96 52.67 1ukj s ALA 527 Cb 0.00 -3.86 -0.17 0.00 0.00 0.00 0.00 23.12 19.10 1ukj s ALA 527 CO 0.00 -1.80 1.61 1.25 0.00 0.00 0.00 175.76 176.81 1ukj h LEU 528 N 11.46 -0.13 -9.36 0.00 5.85 -1.91 -3.40 115.31 117.83 1ukj h LEU 528 Ca -0.42 -0.09 -0.58 0.00 0.84 0.00 0.00 57.88 57.62 1ukj h LEU 528 Cb 1.21 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.18 1ukj h LEU 528 CO 0.96 0.01 -0.21 -0.69 -0.34 0.00 0.00 178.44 178.17 1ukj s VAL 529 N -5.73 5.21 0.36 1.05 1.01 -1.26 -4.87 120.40 116.18 1ukj s VAL 529 Ca -0.14 0.79 -0.28 0.00 0.00 0.00 0.00 61.98 62.35 1ukj s VAL 529 Cb 0.05 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 1ukj s VAL 529 CO 0.65 0.38 1.43 -2.84 0.00 0.00 0.00 175.10 174.71 1ukj s PRO 530 N 0.38 4.18 0.32 2.72 0.02 -1.26 -4.93 135.00 136.43 1ukj s PRO 530 Ca 0.22 2.45 -0.29 0.00 0.02 0.00 0.00 61.00 63.41 1ukj s PRO 530 Cb -0.14 -3.00 -0.11 0.00 0.02 0.00 0.00 34.50 31.27 1ukj s PRO 530 CO 0.08 -0.42 1.48 -2.14 -0.33 0.00 0.00 177.00 175.67 1ukj s PRO 531 N -2.01 4.18 -0.17 5.54 0.02 -1.26 -4.94 135.00 136.37 1ukj s PRO 531 Ca 0.52 2.46 -0.25 0.00 0.02 0.00 0.00 61.00 63.74 1ukj s PRO 531 Cb -0.44 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 1ukj s PRO 531 CO 0.60 -0.48 0.84 0.08 -0.33 0.00 0.00 177.00 177.71 1ukj s VAL 532 N -0.58 4.87 -1.25 3.83 1.01 -1.26 -4.84 120.40 122.18 1ukj s VAL 532 Ca 0.56 1.65 -0.11 0.00 0.00 0.00 0.00 61.98 64.09 1ukj s VAL 532 Cb -0.45 -4.15 0.17 0.00 0.00 0.00 0.00 36.38 31.96 1ukj s VAL 532 CO 0.53 0.02 1.71 -1.22 0.00 0.00 0.00 175.10 176.14 1ukj n TYR 533 N 5.27 3.65 -1.87 5.22 4.02 -1.26 -4.87 117.16 127.31 1ukj n TYR 533 Ca 0.05 -2.99 -0.42 0.00 -0.01 0.00 0.00 57.90 54.53 1ukj n TYR 533 Cb 0.49 -2.02 -0.00 0.00 -0.02 0.00 0.00 39.34 37.79 1ukj n TYR 533 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1ukj n GLN 534 N 4.42 3.16 -4.27 -0.72 -0.06 -1.26 -4.77 117.38 113.89 1ukj n GLN 534 Ca 0.38 -2.85 -0.15 0.00 -2.00 0.00 0.00 57.00 52.39 1ukj n GLN 534 Cb 0.38 -3.14 -0.10 0.00 -4.06 0.00 0.00 30.24 23.32 1ukj n GLN 534 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1ukj s THR 535 N 2.25 1.04 -0.12 1.69 -1.32 -1.26 -5.07 115.64 112.86 1ukj s THR 535 Ca 0.47 -2.04 0.02 0.00 -1.21 0.00 0.00 61.69 58.93 1ukj s THR 535 Cb 0.13 -2.02 -0.09 0.00 -1.51 0.00 0.00 72.50 69.02 1ukj s THR 535 CO -0.06 -0.60 -0.08 0.00 -2.21 0.00 0.00 174.62 171.67 1ukj n ALA 536 N -0.26 1.74 -2.66 11.08 0.00 -1.26 -4.68 120.51 124.47 1ukj n ALA 536 Ca -0.08 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.56 1ukj n ALA 536 Cb 0.62 0.19 -0.08 0.00 0.00 0.00 0.00 19.45 20.18 1ukj n ALA 536 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ukj s THR 537 N -2.24 3.70 -0.06 0.00 2.01 -1.26 -0.79 115.64 117.00 1ukj s THR 537 Ca -0.14 -1.48 0.01 0.00 0.31 0.00 0.00 61.69 60.39 1ukj s THR 537 Cb 0.04 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.69 1ukj s THR 537 CO 0.30 -0.14 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.64 1ukj s PHE 538 N -1.80 1.18 0.34 4.92 0.40 -1.21 -4.90 117.98 116.91 1ukj s PHE 538 Ca 0.28 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1ukj s PHE 538 Cb -0.09 -0.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.49 1ukj s PHE 538 CO 0.19 -0.27 0.52 0.95 0.70 0.00 0.00 175.22 177.31 1ukj s THR 539 N 0.89 4.67 0.19 0.64 -4.23 -1.26 -4.48 115.64 112.05 1ukj s THR 539 Ca -0.11 -0.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.77 1ukj s THR 539 Cb -0.15 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1ukj s THR 539 CO 0.01 -0.37 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.33 1ukj s PHE 540 N -2.26 2.76 -0.02 3.99 0.40 -1.26 -5.02 117.98 116.57 1ukj s PHE 540 Ca 0.42 -0.17 0.18 0.00 -0.60 0.00 0.00 56.93 56.76 1ukj s PHE 540 Cb -0.10 -1.33 0.44 0.00 0.51 0.00 0.00 43.02 42.54 1ukj s PHE 540 CO 0.34 0.53 1.61 -1.00 0.70 0.00 0.00 175.22 177.40 1ukj h PRO 541 N 2.68 0.00 -3.43 0.24 0.13 -2.00 -3.47 132.00 126.15 1ukj h PRO 541 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1ukj h PRO 541 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1ukj h PRO 541 CO 0.57 0.39 0.03 0.95 -0.23 0.00 0.00 178.00 179.71 1ukj s THR 542 N -3.29 0.00 -0.70 1.56 -4.23 -1.26 -5.03 115.64 102.68 1ukj s THR 542 Ca 0.02 -1.26 0.26 0.00 -1.18 0.00 0.00 61.69 59.53 1ukj s THR 542 Cb 0.09 -2.34 0.24 0.00 1.34 0.00 0.00 72.50 71.83 1ukj s THR 542 CO 0.70 0.00 1.68 1.33 -0.54 0.00 0.00 174.62 177.79 1ukj n VAL 543 N -0.46 0.57 0.11 2.29 0.24 -1.26 -2.98 118.33 116.84 1ukj n VAL 543 Ca -0.03 -0.29 0.02 0.00 -2.04 0.00 0.00 64.34 62.00 1ukj n VAL 543 Cb 0.61 -0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 32.48 1ukj n VAL 543 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1ukj h GLU 544 N 0.00 0.00 0.02 7.34 3.07 -1.98 -1.99 114.58 121.03 1ukj h GLU 544 Ca 0.00 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 1ukj h GLU 544 Cb 0.75 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 1ukj h GLU 544 CO 0.00 0.41 -1.09 -0.92 -1.40 0.00 0.00 179.01 176.00 1ukj h TYR 545 N 0.00 0.08 -0.30 4.33 3.20 -1.96 -2.23 116.97 120.10 1ukj h TYR 545 Ca -0.05 -0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.60 1ukj h TYR 545 Cb 1.42 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.69 1ukj h TYR 545 CO 0.00 1.05 -0.44 0.78 -1.64 0.00 0.00 178.16 177.91 1ukj h GLY 546 N 2.79 0.90 0.97 1.82 0.00 -1.52 0.01 103.07 108.04 1ukj h GLY 546 Ca -0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.27 1ukj h GLY 546 CO 0.14 0.90 -0.07 0.00 0.00 0.00 0.00 176.54 177.51 1ukj h ALA 547 N 0.69 -0.20 0.00 3.60 0.00 -1.33 -1.11 119.26 120.92 1ukj h ALA 547 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1ukj h ALA 547 Cb 1.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ukj h ALA 547 CO 0.10 -0.59 -0.18 0.00 0.00 0.00 0.00 179.25 178.58 1ukj h ALA 548 N 0.62 1.39 0.00 0.00 0.00 -1.41 0.39 119.26 120.24 1ukj h ALA 548 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ukj h ALA 548 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ukj h ALA 548 CO 0.03 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1ukj n PHE 550 N -1.34 0.00 0.02 0.00 0.99 0.30 -4.51 117.46 112.92 1ukj n PHE 550 Ca 0.11 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.61 1ukj n PHE 550 Cb 0.24 -0.28 0.24 0.00 -1.00 0.00 0.00 39.48 38.67 1ukj n PHE 550 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ukj n ALA 551 N -2.13 3.13 -1.27 4.37 0.00 0.11 -4.88 120.51 119.85 1ukj n ALA 551 Ca -0.08 -1.07 -0.09 0.00 0.00 0.00 0.00 53.44 52.19 1ukj n ALA 551 Cb 0.59 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 1ukj n ALA 551 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukj n GLY 552 N 0.58 0.97 0.13 0.00 0.00 -1.13 -4.86 105.19 100.88 1ukj n GLY 552 Ca 0.16 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1ukj n GLY 552 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ukj h GLU 553 N 0.09 0.43 -6.67 1.61 3.07 -0.65 -3.47 114.58 109.01 1ukj h GLU 553 Ca -0.19 -0.74 -0.68 0.00 -0.50 0.00 0.00 59.36 57.25 1ukj h GLU 553 Cb 0.95 0.28 -0.22 0.00 -0.84 0.00 0.00 28.75 28.92 1ukj h GLU 553 CO 0.28 1.35 -0.82 -1.14 -1.40 0.00 0.00 179.01 177.28 1ukj s GLN 554 N -2.62 1.89 -0.05 2.33 2.00 0.86 -4.96 119.66 119.11 1ukj s GLN 554 Ca -0.08 -1.09 -0.24 0.00 -2.00 0.00 0.00 55.36 51.96 1ukj s GLN 554 Cb 0.05 -2.11 -0.04 0.00 0.80 0.00 0.00 33.01 31.71 1ukj s GLN 554 CO 0.92 0.51 0.72 0.00 -0.50 0.00 0.00 175.29 176.94 1ukj s ALA 555 N -0.98 3.33 0.00 1.58 0.00 -1.26 -4.44 121.76 119.99 1ukj s ALA 555 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1ukj s ALA 555 Cb -0.10 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1ukj s ALA 555 CO 0.06 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1ukj n GLY 556 N 2.98 -1.80 3.66 0.00 0.00 -1.26 -5.06 105.19 103.71 1ukj n GLY 556 Ca -0.01 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1ukj n GLY 556 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ukj s HIS 557 N -2.52 2.15 0.00 1.61 3.76 -1.26 -5.04 115.29 113.99 1ukj s HIS 557 Ca 0.00 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 1ukj s HIS 557 Cb 0.00 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1ukj s HIS 557 CO 0.00 0.28 0.00 1.97 -0.85 0.00 0.00 174.74 176.14 1ukj n PHE 558 N -1.07 0.00 -3.32 1.40 -1.74 -1.26 -4.76 117.46 106.71 1ukj n PHE 558 Ca -0.11 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.80 1ukj n PHE 558 Cb 0.67 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.63 1ukj n PHE 558 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1ukj s TYR 559 N 0.00 -0.47 -0.97 2.97 6.14 -1.26 -3.33 117.35 120.43 1ukj s TYR 559 Ca 0.00 0.81 0.00 0.00 0.64 0.00 0.00 57.07 58.52 1ukj s TYR 559 Cb 0.00 0.28 0.00 0.00 0.42 0.00 0.00 41.96 42.66 1ukj s TYR 559 CO 0.00 -0.23 0.98 0.43 0.64 0.00 0.00 175.55 177.36 1ukj n SER 560 N 4.84 0.00 0.10 4.32 7.64 0.03 -1.86 113.62 128.70 1ukj n SER 560 Ca -0.08 0.48 -0.17 0.00 1.01 0.00 0.00 58.87 60.10 1ukj n SER 560 Cb 0.54 -0.48 -0.14 0.00 -1.01 0.00 0.00 64.21 63.12 1ukj n SER 560 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1ukj h ARG 561 N 0.00 0.31 0.05 1.43 2.43 -1.96 -3.35 114.38 113.29 1ukj h ARG 561 Ca 0.00 -0.53 -0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1ukj h ARG 561 Cb 0.04 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1ukj h ARG 561 CO 0.00 1.24 -0.02 0.82 -1.51 0.00 0.00 179.97 180.49 1ukj h ILE 562 N 0.08 1.23 -1.86 1.20 1.08 -1.77 -3.44 117.51 114.04 1ukj h ILE 562 Ca -0.17 -1.61 0.02 0.00 -0.39 0.00 0.00 64.86 62.71 1ukj h ILE 562 Cb 2.01 2.19 -0.23 0.00 -3.07 0.00 0.00 36.82 37.72 1ukj h ILE 562 CO 0.21 0.37 0.19 -0.55 -0.69 0.00 0.00 178.15 177.67 1ukj s SER 563 N -5.82 -0.73 -0.01 1.72 0.15 -1.00 -4.96 113.70 103.05 1ukj s SER 563 Ca -0.14 1.27 0.04 0.00 0.70 0.00 0.00 55.95 57.82 1ukj s SER 563 Cb -0.01 1.30 -0.01 0.00 -1.71 0.00 0.00 66.02 65.59 1ukj s SER 563 CO 0.54 -0.21 -0.12 0.21 1.20 0.00 0.00 173.24 174.86 1ukj s ASN 564 N 0.93 1.39 0.26 5.45 2.47 -1.26 -3.99 114.94 120.18 1ukj s ASN 564 Ca -0.04 -0.23 -0.02 0.00 0.42 0.00 0.00 52.86 52.98 1ukj s ASN 564 Cb -0.05 -0.15 0.49 0.00 -1.45 0.00 0.00 41.25 40.09 1ukj s ASN 564 CO -0.10 0.13 1.78 -0.65 -3.72 0.00 0.00 177.10 174.55 1ukj h PRO 565 N 5.77 0.68 -0.44 0.43 0.11 -1.97 0.21 132.00 136.79 1ukj h PRO 565 Ca -0.33 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.60 1ukj h PRO 565 Cb 1.17 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1ukj h PRO 565 CO 0.49 0.45 -0.26 1.15 -0.21 0.00 0.00 178.00 179.61 1ukj h THR 566 N 0.70 1.27 -0.07 -1.15 2.02 -1.88 -2.45 112.91 111.35 1ukj h THR 566 Ca 0.44 -1.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.07 1ukj h THR 566 Cb 0.54 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1ukj h THR 566 CO -0.32 0.48 -0.56 -0.07 0.37 0.00 0.00 175.52 175.42 1ukj h LEU 567 N 0.79 0.23 -1.08 2.58 4.07 -1.78 -2.50 115.31 117.61 1ukj h LEU 567 Ca 0.09 -0.12 -0.07 0.00 0.08 0.00 0.00 57.88 57.86 1ukj h LEU 567 Cb 0.83 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 1ukj h LEU 567 CO 0.07 0.75 -0.14 0.78 -1.08 0.00 0.00 178.44 178.82 1ukj h ASN 568 N 0.16 0.47 -0.15 -0.43 4.21 -0.39 0.24 115.58 119.69 1ukj h ASN 568 Ca -0.00 -0.13 -0.14 0.00 1.21 0.00 0.00 56.30 57.24 1ukj h ASN 568 Cb 1.04 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 1ukj h ASN 568 CO 0.09 0.64 -0.47 0.25 -1.29 0.00 0.00 177.43 176.65 1ukj h LEU 569 N 0.45 0.67 -0.44 1.61 6.46 -1.23 0.19 115.31 123.02 1ukj h LEU 569 Ca 0.08 -0.60 0.01 0.00 -0.12 0.00 0.00 57.88 57.25 1ukj h LEU 569 Cb 0.51 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 1ukj h LEU 569 CO 0.03 1.15 0.28 0.25 -0.62 0.00 0.00 178.44 179.53 1ukj h LEU 570 N 0.22 0.47 0.19 2.25 6.46 -1.17 -1.64 115.31 122.10 1ukj h LEU 570 Ca -0.02 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1ukj h LEU 570 Cb 1.09 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 1ukj h LEU 570 CO 0.10 0.34 -0.09 -0.33 -0.62 0.00 0.00 178.44 177.84 1ukj h GLU 571 N 0.57 -0.25 -0.77 1.25 5.08 -0.47 -1.09 114.58 118.91 1ukj h GLU 571 Ca 0.16 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1ukj h GLU 571 Cb -0.04 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1ukj h GLU 571 CO -0.05 -0.05 0.48 0.00 -1.00 0.00 0.00 179.01 178.39 1ukj h ALA 572 N 0.36 1.01 -0.16 3.43 0.00 -0.88 -0.79 119.26 122.24 1ukj h ALA 572 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ukj h ALA 572 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ukj h ALA 572 CO 0.04 0.26 0.04 -0.09 0.00 0.00 0.00 179.25 179.50 1ukj h ARG 573 N 0.92 0.25 -0.85 0.00 2.43 -1.25 -2.07 114.38 113.81 1ukj h ARG 573 Ca 0.31 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 1ukj h ARG 573 Cb 0.05 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 1ukj h ARG 573 CO -0.13 0.39 0.54 0.52 -1.51 0.00 0.00 179.97 179.79 1ukj h MET 574 N 0.06 0.99 -0.28 0.20 2.86 -0.89 -1.59 114.93 116.29 1ukj h MET 574 Ca 0.05 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1ukj h MET 574 Cb 0.25 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 1ukj h MET 574 CO 0.00 0.66 -0.05 0.00 1.06 0.00 0.00 176.91 178.58 1ukj h ALA 575 N 1.37 0.20 -0.99 6.32 0.00 -0.83 -1.91 119.26 123.42 1ukj h ALA 575 Ca 0.35 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.41 1ukj h ALA 575 Cb 0.08 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1ukj h ALA 575 CO -0.14 -0.46 0.65 1.03 0.00 0.00 0.00 179.25 180.33 1ukj h SER 576 N 0.02 1.06 0.38 0.00 0.87 -0.64 0.12 113.55 115.36 1ukj h SER 576 Ca 0.13 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1ukj h SER 576 Cb 0.20 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1ukj h SER 576 CO -0.27 0.71 -0.29 -0.07 -0.53 0.00 0.00 176.83 176.38 1ukj h LEU 577 N 1.22 0.00 -2.23 2.23 3.38 -0.58 -2.76 115.31 116.57 1ukj h LEU 577 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1ukj h LEU 577 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ukj h LEU 577 CO -0.14 0.29 0.00 -0.62 0.09 0.00 0.00 178.44 178.06 1ukj n GLU 578 N -4.00 2.46 -3.55 1.13 -0.58 -0.63 -4.76 120.64 110.72 1ukj n GLU 578 Ca -0.02 -2.20 -0.22 0.00 -0.42 0.00 0.00 57.16 54.30 1ukj n GLU 578 Cb 0.35 -1.51 0.08 0.00 -0.57 0.00 0.00 31.44 29.79 1ukj n GLU 578 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ukj n GLY 579 N 1.48 -0.49 3.59 0.62 0.00 -0.42 -4.57 105.19 105.40 1ukj n GLY 579 Ca 0.19 0.21 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 1ukj n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ukj s GLY 580 N -3.47 1.73 0.06 -0.02 0.00 -0.10 -4.79 107.32 100.74 1ukj s GLY 580 Ca 0.49 -1.70 -0.19 0.00 0.00 0.00 0.00 44.72 43.32 1ukj s GLY 580 CO 0.71 -1.77 1.39 0.83 0.00 0.00 0.00 173.10 174.26 1ukj h GLU 581 N 2.10 0.46 -3.59 2.90 5.08 -1.67 -3.40 114.58 116.47 1ukj h GLU 581 Ca -0.43 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 57.61 1ukj h GLU 581 Cb 1.25 -0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.34 1ukj h GLU 581 CO 0.60 0.78 -0.32 0.00 -1.00 0.00 0.00 179.01 179.06 1ukj s ALA 582 N -4.43 -0.43 0.29 3.43 0.00 0.51 -4.74 121.76 116.40 1ukj s ALA 582 Ca -0.14 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 51.54 1ukj s ALA 582 Cb 0.06 0.41 -0.06 0.00 0.00 0.00 0.00 23.12 23.53 1ukj s ALA 582 CO 0.77 -0.45 0.01 0.20 0.00 0.00 0.00 175.76 176.29 1ukj s GLY 583 N -2.45 1.90 -0.08 0.00 0.00 -1.26 -0.48 107.32 104.96 1ukj s GLY 583 Ca -0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 44.72 42.71 1ukj s GLY 583 CO -0.07 -1.80 0.20 -2.27 0.00 0.00 0.00 173.10 169.16 1ukj s LEU 584 N -3.44 0.68 -0.17 0.66 0.20 0.32 -4.84 118.68 112.09 1ukj s LEU 584 Ca 0.33 0.41 -0.07 0.00 0.69 0.00 0.00 54.13 55.48 1ukj s LEU 584 Cb 0.07 0.57 -0.04 0.00 -0.43 0.00 0.00 46.19 46.35 1ukj s LEU 584 CO 0.13 -0.14 0.08 0.00 -0.29 0.00 0.00 176.35 176.13 1ukj s ALA 585 N 1.04 3.54 0.25 5.97 0.00 -1.26 -0.78 121.76 130.51 1ukj s ALA 585 Ca -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1ukj s ALA 585 Cb -0.09 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 1ukj s ALA 585 CO -0.06 0.29 0.09 -0.51 0.00 0.00 0.00 175.76 175.57 1ukj s LEU 586 N 0.01 1.65 0.38 0.00 1.02 -0.66 -4.38 118.68 116.70 1ukj s LEU 586 Ca 0.07 -1.36 0.26 0.00 0.02 0.00 0.00 54.13 53.12 1ukj s LEU 586 Cb -0.12 0.03 1.36 0.00 0.02 0.00 0.00 46.19 47.48 1ukj s LEU 586 CO 0.00 -0.72 1.80 0.00 0.02 0.00 0.00 176.35 177.45 1ukj h ALA 587 N 2.42 1.00 -1.25 4.21 0.00 -0.00 -0.95 119.26 124.70 1ukj h ALA 587 Ca -0.38 0.00 0.36 0.00 0.00 0.00 0.00 54.91 54.89 1ukj h ALA 587 Cb 1.24 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 1ukj h ALA 587 CO 0.61 0.00 0.92 -1.54 0.00 0.00 0.00 179.25 179.23 1ukj s SER 588 N -4.32 -0.03 0.19 0.00 1.04 -1.26 -3.63 113.70 105.69 1ukj s SER 588 Ca -0.02 -0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.22 1ukj s SER 588 Cb 0.08 0.08 0.20 0.00 0.10 0.00 0.00 66.02 66.48 1ukj s SER 588 CO 0.28 -0.15 1.71 1.23 0.98 0.00 0.00 173.24 177.28 1ukj h GLY 589 N 2.00 0.60 2.00 7.32 0.00 -1.72 0.21 103.07 113.48 1ukj h GLY 589 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1ukj h GLY 589 CO 0.29 -0.09 0.00 -0.33 0.00 0.00 0.00 176.54 176.41 1ukj h MET 590 N 0.21 0.00 -0.12 4.80 2.86 -1.91 -1.12 114.93 119.64 1ukj h MET 590 Ca 0.26 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.73 1ukj h MET 590 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1ukj h MET 590 CO -0.36 0.00 -0.63 0.78 1.06 0.00 0.00 176.91 177.76 1ukj h GLY 591 N 1.58 0.49 0.52 8.32 0.00 -1.33 -1.49 103.07 111.16 1ukj h GLY 591 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.61 1ukj h GLY 591 CO 0.00 0.56 -0.41 0.00 0.00 0.00 0.00 176.54 176.69 1ukj h ALA 592 N 0.99 0.02 0.31 3.60 0.00 -0.97 -1.40 119.26 121.80 1ukj h ALA 592 Ca -0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ukj h ALA 592 Cb 1.18 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1ukj h ALA 592 CO 0.11 0.19 -0.28 0.82 0.00 0.00 0.00 179.25 180.10 1ukj h ILE 593 N -0.44 0.42 -0.20 0.00 2.04 -1.27 -0.18 117.51 117.88 1ukj h ILE 593 Ca -0.06 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 1ukj h ILE 593 Cb 1.20 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1ukj h ILE 593 CO 0.08 0.00 -0.42 0.71 0.00 0.00 0.00 178.15 178.52 1ukj h THR 594 N -0.61 1.31 -0.07 -0.27 1.35 -1.40 -2.17 112.91 111.05 1ukj h THR 594 Ca -0.02 -1.58 -0.11 0.00 -0.55 0.00 0.00 66.41 64.15 1ukj h THR 594 Cb 0.54 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 1ukj h THR 594 CO -0.04 0.49 -0.47 0.28 -0.25 0.00 0.00 175.52 175.53 1ukj h SER 595 N 0.38 0.19 0.41 5.36 0.02 -1.13 0.18 113.55 118.96 1ukj h SER 595 Ca 0.03 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1ukj h SER 595 Cb 0.90 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1ukj h SER 595 CO 0.08 0.64 -0.20 0.74 -1.14 0.00 0.00 176.83 176.94 1ukj h THR 596 N 0.15 0.11 -0.81 -2.27 2.02 -0.90 -3.29 112.91 107.92 1ukj h THR 596 Ca 0.01 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 1ukj h THR 596 Cb 0.89 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1ukj h THR 596 CO 0.07 0.03 0.33 -0.07 0.37 0.00 0.00 175.52 176.25 1ukj h LEU 597 N -1.12 1.11 -1.80 2.58 3.38 -1.42 -2.29 115.31 115.76 1ukj h LEU 597 Ca -0.06 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.86 1ukj h LEU 597 Cb 0.47 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1ukj h LEU 597 CO 0.09 0.97 0.36 -0.50 0.09 0.00 0.00 178.44 179.46 1ukj h TRP 598 N 1.18 0.24 0.00 1.13 -0.00 -1.09 -0.42 115.95 116.98 1ukj h TRP 598 Ca 0.27 0.01 -0.31 0.00 -0.00 0.00 0.00 58.89 58.86 1ukj h TRP 598 Cb 0.21 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 29.23 1ukj h TRP 598 CO 0.02 0.11 -1.88 0.25 -0.00 0.00 0.00 178.44 176.94 1ukj n THR 599 N -4.45 1.56 0.12 1.49 -2.24 -1.02 -4.36 114.28 105.38 1ukj n THR 599 Ca 0.09 -0.81 -0.20 0.00 -2.27 0.00 0.00 64.05 60.86 1ukj n THR 599 Cb 0.43 -0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 67.62 1ukj n THR 599 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ukj h LEU 600 N 0.00 0.64 -9.84 3.22 3.38 -1.16 -3.47 115.31 108.09 1ukj h LEU 600 Ca -0.35 -0.66 -0.61 0.00 0.09 0.00 0.00 57.88 56.35 1ukj h LEU 600 Cb 2.07 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 42.57 1ukj h LEU 600 CO 0.07 1.51 -0.39 -0.76 0.09 0.00 0.00 178.44 178.95 1ukj s LEU 601 N -7.43 4.34 0.30 1.67 1.43 -0.19 -5.02 118.68 113.78 1ukj s LEU 601 Ca -0.06 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1ukj s LEU 601 Cb 0.06 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1ukj s LEU 601 CO 0.91 0.19 0.13 -0.13 0.23 0.00 0.00 176.35 177.69 1ukj s ARG 602 N -2.10 1.56 0.13 1.70 1.81 -1.26 -4.79 118.95 116.00 1ukj s ARG 602 Ca 0.32 -1.88 -0.31 0.00 -1.72 0.00 0.00 55.73 52.14 1ukj s ARG 602 Cb -0.13 -0.21 -0.08 0.00 -0.45 0.00 0.00 34.95 34.07 1ukj s ARG 602 CO 0.20 -0.39 1.42 -2.14 -0.68 0.00 0.00 175.30 173.71 1ukj s PRO 603 N -3.89 4.30 0.00 3.54 0.02 -1.26 -2.50 135.00 135.21 1ukj s PRO 603 Ca 0.36 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1ukj s PRO 603 Cb 0.06 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1ukj s PRO 603 CO 0.16 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.78 1ukj n GLY 604 N 3.46 1.84 3.81 0.52 0.00 0.32 -4.95 105.19 110.19 1ukj n GLY 604 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1ukj n GLY 604 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ukj s ASP 605 N -0.21 4.82 0.17 1.61 -0.00 -1.04 -4.73 116.67 117.29 1ukj s ASP 605 Ca 0.00 1.46 0.11 0.00 -0.00 0.00 0.00 52.55 54.12 1ukj s ASP 605 Cb 0.00 -2.25 -0.04 0.00 -0.00 0.00 0.00 42.92 40.62 1ukj s ASP 605 CO 0.00 -1.78 -0.24 -0.70 -0.00 0.00 0.00 175.17 172.45 1ukj s GLU 606 N -5.09 1.45 -0.03 8.23 2.12 -0.72 -0.18 118.70 124.48 1ukj s GLU 606 Ca 0.60 -1.46 0.01 0.00 0.36 0.00 0.00 54.97 54.47 1ukj s GLU 606 Cb -0.14 -1.76 0.02 0.00 0.26 0.00 0.00 34.13 32.51 1ukj s GLU 606 CO 0.55 0.39 -0.02 0.54 -0.54 0.00 0.00 175.26 176.17 1ukj s VAL 607 N -1.60 0.29 -0.13 3.70 0.11 0.12 0.48 120.40 123.37 1ukj s VAL 607 Ca 0.18 -0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 59.06 1ukj s VAL 607 Cb -0.08 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 1ukj s VAL 607 CO 0.08 0.15 0.37 -0.76 -3.33 0.00 0.00 175.10 171.62 1ukj s LEU 608 N 0.77 4.28 0.22 2.54 2.01 -0.56 -2.17 118.68 125.76 1ukj s LEU 608 Ca -0.08 0.66 0.09 0.00 0.01 0.00 0.00 54.13 54.81 1ukj s LEU 608 Cb -0.12 -2.52 -0.04 0.00 0.01 0.00 0.00 46.19 43.53 1ukj s LEU 608 CO -0.01 0.08 -0.01 -0.76 1.01 0.00 0.00 176.35 176.67 1ukj s LEU 609 N 0.40 3.24 0.25 1.79 1.02 0.12 -0.87 118.68 124.63 1ukj s LEU 609 Ca 0.21 -0.53 -0.25 0.00 0.02 0.00 0.00 54.13 53.58 1ukj s LEU 609 Cb -0.14 -1.83 -0.09 0.00 0.02 0.00 0.00 46.19 44.15 1ukj s LEU 609 CO 0.07 0.04 0.86 -0.83 0.02 0.00 0.00 176.35 176.51 1ukj s GLY 610 N -3.30 2.83 0.13 -3.19 0.00 -0.91 0.21 107.32 103.09 1ukj s GLY 610 Ca 0.29 0.42 -0.15 0.00 0.00 0.00 0.00 44.72 45.28 1ukj s GLY 610 CO 0.19 0.88 0.98 0.70 0.00 0.00 0.00 173.10 175.85 1ukj n ASN 611 N 0.96 -0.53 -4.45 1.64 4.13 -1.25 -4.23 115.26 111.53 1ukj n ASN 611 Ca -0.01 1.11 -0.33 0.00 1.68 0.00 0.00 54.58 57.03 1ukj n ASN 611 Cb 0.49 -0.20 -0.13 0.00 -1.54 0.00 0.00 39.78 38.40 1ukj n ASN 611 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ukj s THR 612 N -5.47 3.18 0.42 3.41 2.01 -1.26 -5.00 115.64 112.93 1ukj s THR 612 Ca -0.08 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.30 1ukj s THR 612 Cb 0.10 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1ukj s THR 612 CO 0.42 0.56 0.09 -0.76 -0.69 0.00 0.00 174.62 174.25 1ukj s LEU 613 N -0.30 2.09 0.22 4.42 1.43 -1.26 -4.68 118.68 120.59 1ukj s LEU 613 Ca 0.03 -1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 51.20 1ukj s LEU 613 Cb -0.13 -0.27 -0.09 0.00 0.03 0.00 0.00 46.19 45.74 1ukj s LEU 613 CO 0.03 -0.87 1.28 -0.47 0.23 0.00 0.00 176.35 176.55 1ukj s TYR 614 N -3.15 3.28 0.07 0.29 5.04 -1.26 -4.80 117.35 116.82 1ukj s TYR 614 Ca 0.22 1.31 -0.14 0.00 -2.44 0.00 0.00 57.07 56.02 1ukj s TYR 614 Cb 0.03 -3.56 -0.03 0.00 0.35 0.00 0.00 41.96 38.75 1ukj s TYR 614 CO 0.13 -1.68 0.94 0.41 -1.34 0.00 0.00 175.55 174.01 1ukj n GLY 615 N 2.09 -1.94 0.27 8.97 0.00 -1.26 0.46 105.19 113.79 1ukj n GLY 615 Ca 0.05 0.68 0.02 0.00 0.00 0.00 0.00 46.02 46.77 1ukj n GLY 615 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj h THR 617 N 0.38 1.24 -0.25 0.00 2.02 -0.35 -0.05 112.91 115.89 1ukj h THR 617 Ca 0.09 -1.09 -0.09 0.00 0.77 0.00 0.00 66.41 66.09 1ukj h THR 617 Cb 0.24 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1ukj h THR 617 CO 0.00 0.34 -0.19 0.15 0.37 0.00 0.00 175.52 176.20 1ukj h PHE 618 N 0.35 0.66 -0.70 3.16 3.57 -0.11 -1.84 116.94 122.04 1ukj h PHE 618 Ca 0.06 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 1ukj h PHE 618 Cb 0.55 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1ukj h PHE 618 CO 0.01 0.86 0.34 0.00 -2.23 0.00 0.00 178.31 177.29 1ukj h ALA 619 N 0.70 0.90 -0.42 2.41 0.00 -0.99 0.19 119.26 122.05 1ukj h ALA 619 Ca 0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1ukj h ALA 619 Cb 0.72 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ukj h ALA 619 CO 0.05 0.46 -0.01 0.35 0.00 0.00 0.00 179.25 180.10 1ukj h PHE 620 N 0.97 0.82 0.15 0.00 3.57 -0.99 0.51 116.94 121.98 1ukj h PHE 620 Ca 0.24 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1ukj h PHE 620 Cb 0.12 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1ukj h PHE 620 CO 0.01 0.82 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.76 1ukj h LEU 621 N 0.58 -0.17 0.02 0.59 -0.00 -1.00 0.79 115.31 116.12 1ukj h LEU 621 Ca 0.12 -0.19 -0.23 0.00 -0.00 0.00 0.00 57.88 57.58 1ukj h LEU 621 Cb 0.50 0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 1ukj h LEU 621 CO 0.02 0.10 -1.11 0.45 -0.00 0.00 0.00 178.44 177.90 1ukj h HIS 622 N -0.45 0.07 -0.02 1.13 3.86 -0.65 -2.08 115.15 117.02 1ukj h HIS 622 Ca -0.02 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1ukj h HIS 622 Cb 0.35 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1ukj h HIS 622 CO 0.01 1.05 0.00 0.72 0.86 0.00 0.00 177.93 180.56 1ukj n HIS 623 N -3.35 0.01 0.00 2.45 8.25 0.18 -4.32 115.22 118.44 1ukj n HIS 623 Ca -0.03 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1ukj n HIS 623 Cb 0.96 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.07 1ukj n HIS 623 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ukj n GLY 624 N 0.34 0.44 0.42 -1.41 0.00 0.27 -4.58 105.19 100.68 1ukj n GLY 624 Ca 0.04 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.28 1ukj n GLY 624 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ukj h ILE 625 N 0.00 0.61 -0.61 -0.61 5.03 -1.54 -1.23 117.51 119.15 1ukj h ILE 625 Ca 0.00 -0.10 0.12 0.00 -0.12 0.00 0.00 64.86 64.76 1ukj h ILE 625 Cb 0.00 0.29 -0.09 0.00 -3.03 0.00 0.00 36.82 33.99 1ukj h ILE 625 CO 0.00 0.05 0.11 1.23 -0.68 0.00 0.00 178.15 178.86 1ukj h GLY 626 N 0.29 0.77 -0.68 5.37 0.00 -1.54 0.27 103.07 107.56 1ukj h GLY 626 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1ukj h GLY 626 CO -0.15 -0.14 0.00 1.18 0.00 0.00 0.00 176.54 177.43 1ukj n GLU 627 N -5.16 0.89 0.00 4.80 1.02 -0.46 -2.91 120.64 118.81 1ukj n GLU 627 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1ukj n GLU 627 Cb 0.34 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1ukj n GLU 627 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ukj n PHE 628 N -0.12 0.00 0.00 -0.32 3.01 0.96 -5.00 117.46 115.99 1ukj n PHE 628 Ca 0.00 -0.36 0.00 0.00 1.01 0.00 0.00 57.45 58.10 1ukj n PHE 628 Cb 0.15 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1ukj n PHE 628 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ukj n GLY 629 N -0.36 0.87 3.75 1.37 0.00 -1.15 -4.65 105.19 105.03 1ukj n GLY 629 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ukj n GLY 629 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukj s VAL 630 N -2.00 5.24 0.07 1.61 1.01 -1.24 -0.52 120.40 124.57 1ukj s VAL 630 Ca 0.00 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 1ukj s VAL 630 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1ukj s VAL 630 CO 0.00 0.42 0.88 -0.54 0.00 0.00 0.00 175.10 175.86 1ukj s LYS 631 N 0.15 4.60 0.04 2.72 1.02 0.74 -4.54 119.74 124.47 1ukj s LYS 631 Ca 0.20 1.28 0.09 0.00 0.02 0.00 0.00 55.97 57.56 1ukj s LYS 631 Cb -0.14 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1ukj s LYS 631 CO 0.07 0.21 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.94 1ukj s LEU 632 N 0.11 2.16 -0.19 3.17 1.43 -1.26 0.15 118.68 124.26 1ukj s LEU 632 Ca 0.44 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 1ukj s LEU 632 Cb -0.22 -1.27 0.07 0.00 0.03 0.00 0.00 46.19 44.80 1ukj s LEU 632 CO 0.27 0.25 0.44 -0.60 0.23 0.00 0.00 176.35 176.94 1ukj s ARG 633 N -1.22 0.41 -0.12 1.70 3.52 -0.92 -4.95 118.95 117.37 1ukj s ARG 633 Ca 0.11 0.89 -0.18 0.00 -0.13 0.00 0.00 55.73 56.42 1ukj s ARG 633 Cb -0.10 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.32 1ukj s ARG 633 CO 0.02 -0.18 0.49 -1.01 -0.81 0.00 0.00 175.30 173.81 1ukj s HIS 634 N 1.68 3.51 -0.03 5.12 3.76 -1.26 0.16 115.29 128.23 1ukj s HIS 634 Ca -0.08 0.90 0.01 0.00 -0.15 0.00 0.00 55.06 55.74 1ukj s HIS 634 Cb -0.09 -2.57 0.02 0.00 1.11 0.00 0.00 32.58 31.05 1ukj s HIS 634 CO -0.14 0.15 -0.01 0.08 -0.85 0.00 0.00 174.74 173.98 1ukj s VAL 635 N 0.69 0.21 -0.50 -0.90 1.01 0.13 -4.86 120.40 116.19 1ukj s VAL 635 Ca 0.26 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 1ukj s VAL 635 Cb -0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 36.38 35.87 1ukj s VAL 635 CO 0.11 0.14 2.42 -0.67 0.00 0.00 0.00 175.10 177.10 1ukj n ASP 636 N 4.00 2.29 0.00 3.32 -0.08 -1.26 -3.86 116.55 120.96 1ukj n ASP 636 Ca -0.25 -0.49 0.01 0.00 -1.51 0.00 0.00 54.79 52.55 1ukj n ASP 636 Cb 0.51 -1.57 0.08 0.00 2.34 0.00 0.00 41.12 42.48 1ukj n ASP 636 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1ukj n MET 637 N 8.99 0.12 0.01 -0.67 2.81 -1.26 -0.27 117.12 126.85 1ukj n MET 637 Ca 0.38 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.37 1ukj n MET 637 Cb 0.54 -1.34 -0.12 0.00 -0.71 0.00 0.00 33.22 31.58 1ukj n MET 637 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ukj n ALA 638 N -0.84 3.15 -3.20 3.04 0.00 -1.26 -3.00 120.51 118.40 1ukj n ALA 638 Ca 0.02 -0.49 -0.45 0.00 0.00 0.00 0.00 53.44 52.52 1ukj n ALA 638 Cb 0.01 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.59 1ukj n ALA 638 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ukj s ASP 639 N -4.30 6.16 0.47 0.00 -1.08 0.63 -4.77 116.67 113.78 1ukj s ASP 639 Ca -0.03 -1.67 0.28 0.00 -0.52 0.00 0.00 52.55 50.61 1ukj s ASP 639 Cb 0.14 -2.20 0.84 0.00 -1.46 0.00 0.00 42.92 40.24 1ukj s ASP 639 CO 0.88 -0.80 1.79 -0.07 0.52 0.00 0.00 175.17 177.49 1ukj h LEU 640 N 8.84 0.00 -0.03 -1.34 3.38 -1.85 -2.20 115.31 122.11 1ukj h LEU 640 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1ukj h LEU 640 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1ukj h LEU 640 CO 0.99 0.00 -0.02 -0.61 0.09 0.00 0.00 178.44 178.89 1ukj h GLN 641 N 0.00 0.06 -0.49 1.13 5.75 -1.94 -2.28 115.11 117.34 1ukj h GLN 641 Ca 0.00 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.35 1ukj h GLN 641 Cb 0.75 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 1ukj h GLN 641 CO 0.00 0.49 -0.18 0.00 -2.65 0.00 0.00 178.83 176.49 1ukj h ALA 642 N 0.57 0.75 0.22 3.38 0.00 -1.90 -2.20 119.26 120.08 1ukj h ALA 642 Ca 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1ukj h ALA 642 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ukj h ALA 642 CO 0.00 0.67 -0.25 1.25 0.00 0.00 0.00 179.25 180.92 1ukj h LEU 643 N 0.85 -0.69 -0.93 0.00 6.46 -1.41 0.39 115.31 119.98 1ukj h LEU 643 Ca 0.12 0.07 0.15 0.00 -0.12 0.00 0.00 57.88 58.09 1ukj h LEU 643 Cb 0.75 0.24 -0.09 0.00 -0.73 0.00 0.00 40.66 40.82 1ukj h LEU 643 CO 0.06 -0.36 0.54 -0.08 -0.62 0.00 0.00 178.44 177.97 1ukj h GLU 644 N -0.52 0.74 0.68 1.25 4.22 -1.35 -0.73 114.58 118.86 1ukj h GLU 644 Ca 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.36 1ukj h GLU 644 Cb 0.50 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1ukj h GLU 644 CO -0.07 0.49 -0.32 0.00 -2.18 0.00 0.00 179.01 176.92 1ukj h ALA 645 N 1.57 -0.91 -0.36 2.92 0.00 -0.62 -3.05 119.26 118.82 1ukj h ALA 645 Ca 0.50 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.30 1ukj h ALA 645 Cb 0.67 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1ukj h ALA 645 CO -0.34 -0.95 0.30 0.00 0.00 0.00 0.00 179.25 178.26 1ukj h ALA 646 N -0.79 2.20 -2.60 0.00 0.00 0.53 -3.44 119.26 115.16 1ukj h ALA 646 Ca -0.09 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.23 1ukj h ALA 646 Cb 0.73 0.03 0.17 0.00 0.00 0.00 0.00 17.79 18.71 1ukj h ALA 646 CO 0.15 -0.48 -0.22 -1.33 0.00 0.00 0.00 179.25 177.37 1ukj n MET 647 N -4.14 0.64 -4.01 0.00 2.00 -0.35 -5.00 117.12 106.26 1ukj n MET 647 Ca 0.06 0.25 -0.10 0.00 0.00 0.00 0.00 57.70 57.91 1ukj n MET 647 Cb 0.47 -1.85 -0.07 0.00 0.00 0.00 0.00 33.22 31.78 1ukj n MET 647 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1ukj s THR 648 N -1.64 0.03 -0.54 2.03 -4.23 -1.26 -5.01 115.64 105.02 1ukj s THR 648 Ca 0.71 -1.47 0.23 0.00 -1.18 0.00 0.00 61.69 59.97 1ukj s THR 648 Cb -0.44 -2.08 0.23 0.00 1.34 0.00 0.00 72.50 71.56 1ukj s THR 648 CO 0.52 -0.13 1.68 -2.65 -0.54 0.00 0.00 174.62 173.50 1ukj n PRO 649 N -0.29 0.17 0.03 3.99 -0.02 -1.26 -2.78 135.00 134.85 1ukj n PRO 649 Ca -0.04 0.40 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 1ukj n PRO 649 Cb 0.63 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.23 1ukj n PRO 649 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ukj n ALA 650 N -1.74 3.09 -1.82 3.55 0.00 -1.26 -4.89 120.51 117.42 1ukj n ALA 650 Ca 0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1ukj n ALA 650 Cb 0.22 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1ukj n ALA 650 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ukj s THR 651 N -3.32 3.28 -0.17 0.00 -1.32 -1.12 -1.75 115.64 111.24 1ukj s THR 651 Ca -0.01 0.33 -0.01 0.00 -1.21 0.00 0.00 61.69 60.79 1ukj s THR 651 Cb 0.13 -3.25 -0.23 0.00 -1.51 0.00 0.00 72.50 67.65 1ukj s THR 651 CO 0.83 -0.07 0.15 -1.14 -2.21 0.00 0.00 174.62 172.19 1ukj n ARG 652 N 7.65 0.71 -3.86 7.08 0.00 0.18 -4.64 116.66 123.77 1ukj n ARG 652 Ca 0.21 0.21 -0.11 0.00 -0.00 0.00 0.00 57.85 58.15 1ukj n ARG 652 Cb 0.43 -1.64 -0.11 0.00 0.00 0.00 0.00 32.46 31.14 1ukj n ARG 652 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1ukj s VAL 653 N -2.54 0.06 -0.18 5.15 -7.23 -1.21 -1.32 120.40 113.12 1ukj s VAL 653 Ca -0.25 -0.46 -0.05 0.00 -1.81 0.00 0.00 61.98 59.42 1ukj s VAL 653 Cb 0.08 -0.34 -0.03 0.00 0.56 0.00 0.00 36.38 36.65 1ukj s VAL 653 CO 0.71 -0.25 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.62 1ukj s ILE 654 N -0.85 3.98 -0.05 -0.62 1.01 -0.20 -1.49 121.20 122.97 1ukj s ILE 654 Ca -0.09 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1ukj s ILE 654 Cb -0.05 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.65 1ukj s ILE 654 CO 0.01 0.45 -0.09 -0.47 0.00 0.00 0.00 174.94 174.84 1ukj s TYR 655 N 0.75 1.12 0.22 3.97 5.04 -0.05 -1.10 117.35 127.30 1ukj s TYR 655 Ca -0.00 -0.37 -0.23 0.00 -2.44 0.00 0.00 57.07 54.03 1ukj s TYR 655 Cb -0.14 -0.86 0.04 0.00 0.35 0.00 0.00 41.96 41.35 1ukj s TYR 655 CO 0.02 -0.22 0.76 -0.59 -1.34 0.00 0.00 175.55 174.18 1ukj s PHE 656 N 0.71 -0.24 0.03 4.97 -0.71 -1.18 -2.15 117.98 119.42 1ukj s PHE 656 Ca -0.12 -0.14 0.08 0.00 -1.04 0.00 0.00 56.93 55.71 1ukj s PHE 656 Cb -0.15 0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 1ukj s PHE 656 CO 0.02 -1.06 -0.23 -1.21 -1.34 0.00 0.00 175.22 171.40 1ukj s GLU 657 N -3.71 1.95 -0.19 1.99 2.02 -1.26 -1.11 118.70 118.38 1ukj s GLU 657 Ca 0.10 -1.03 -0.05 0.00 0.02 0.00 0.00 54.97 54.00 1ukj s GLU 657 Cb -0.04 -2.07 0.09 0.00 0.10 0.00 0.00 34.13 32.22 1ukj s GLU 657 CO 0.02 0.53 0.36 0.45 0.02 0.00 0.00 175.26 176.64 1ukj s SER 658 N -1.20 0.11 1.12 -0.19 0.15 -1.26 -3.89 113.70 108.54 1ukj s SER 658 Ca 0.12 0.64 -0.14 0.00 0.70 0.00 0.00 55.95 57.28 1ukj s SER 658 Cb -0.10 1.07 0.25 0.00 -1.71 0.00 0.00 66.02 65.53 1ukj s SER 658 CO 0.03 -0.25 1.06 -2.84 1.20 0.00 0.00 173.24 172.43 1ukj s PRO 659 N 2.53 -0.53 0.33 5.44 0.02 -1.26 -4.80 135.00 136.73 1ukj s PRO 659 Ca 0.03 0.49 0.04 0.00 0.02 0.00 0.00 61.00 61.58 1ukj s PRO 659 Cb -0.13 -1.63 -0.06 0.00 0.02 0.00 0.00 34.50 32.70 1ukj s PRO 659 CO -0.12 -3.38 0.06 0.00 -0.33 0.00 0.00 177.00 173.23 1ukj s ALA 660 N -2.76 2.39 0.44 -1.55 0.00 -0.12 -4.86 121.76 115.30 1ukj s ALA 660 Ca 0.67 -2.03 0.03 0.00 0.00 0.00 0.00 51.96 50.63 1ukj s ALA 660 Cb -0.19 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1ukj s ALA 660 CO 0.60 -0.31 0.64 -0.80 0.00 0.00 0.00 175.76 175.89 1ukj s ASN 661 N -3.49 5.73 0.00 0.00 -0.87 -1.26 0.13 114.94 115.17 1ukj s ASN 661 Ca 0.36 0.04 0.18 0.00 -1.57 0.00 0.00 52.86 51.86 1ukj s ASN 661 Cb 0.09 -1.23 0.52 0.00 -0.02 0.00 0.00 41.25 40.61 1ukj s ASN 661 CO 0.15 -0.74 1.42 -0.81 -2.57 0.00 0.00 177.10 174.55 1ukj n PRO 662 N -2.01 2.04 -0.04 -0.60 -0.04 -1.26 -4.64 135.00 128.45 1ukj n PRO 662 Ca 0.03 -1.59 0.05 0.00 -0.04 0.00 0.00 63.50 61.94 1ukj n PRO 662 Cb 0.58 -1.40 0.06 0.00 -0.04 0.00 0.00 33.50 32.71 1ukj n PRO 662 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ukj n ASN 663 N 0.80 2.13 -2.77 3.54 2.04 -1.24 -4.86 115.26 114.89 1ukj n ASN 663 Ca 0.16 -2.49 -0.19 0.00 -0.44 0.00 0.00 54.58 51.63 1ukj n ASN 663 Cb 0.41 -0.20 0.05 0.00 -2.53 0.00 0.00 39.78 37.51 1ukj n ASN 663 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1ukj n MET 664 N -0.92 -5.40 -2.15 -3.83 2.81 0.34 -4.84 117.12 103.14 1ukj n MET 664 Ca 0.07 0.70 -0.42 0.00 -1.81 0.00 0.00 57.70 56.24 1ukj n MET 664 Cb 0.43 -5.22 -0.03 0.00 -0.71 0.00 0.00 33.22 27.69 1ukj n MET 664 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1ukj s HIS 665 N -3.17 2.67 0.50 2.03 5.04 -0.70 -4.39 115.29 117.26 1ukj s HIS 665 Ca 0.38 0.65 -0.00 0.00 -1.54 0.00 0.00 55.06 54.55 1ukj s HIS 665 Cb -0.17 -3.75 0.01 0.00 0.04 0.00 0.00 32.58 28.72 1ukj s HIS 665 CO 0.47 -2.86 0.74 -1.64 -2.34 0.00 0.00 174.74 169.10 1ukj s MET 666 N 2.67 2.87 0.34 2.88 -1.94 -1.26 -0.94 119.30 123.91 1ukj s MET 666 Ca 0.67 -0.52 0.06 0.00 -1.71 0.00 0.00 55.69 54.19 1ukj s MET 666 Cb -0.33 -2.50 -0.07 0.00 2.01 0.00 0.00 34.83 33.95 1ukj s MET 666 CO 0.27 -0.48 0.00 0.00 -0.01 0.00 0.00 175.02 174.81 1ukj s ALA 667 N -2.68 2.62 -1.03 3.03 0.00 -1.26 -4.52 121.76 117.92 1ukj s ALA 667 Ca 0.52 -2.09 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 1ukj s ALA 667 Cb -0.10 0.34 0.26 0.00 0.00 0.00 0.00 23.12 23.62 1ukj s ALA 667 CO 0.39 -0.16 1.00 0.34 0.00 0.00 0.00 175.76 177.33 1ukj s ASP 668 N -3.54 7.06 0.19 0.00 -1.08 -1.16 -4.92 116.67 113.21 1ukj s ASP 668 Ca 0.34 -3.42 -0.19 0.00 -0.52 0.00 0.00 52.55 48.76 1ukj s ASP 668 Cb 0.07 -2.18 0.14 0.00 -1.46 0.00 0.00 42.92 39.50 1ukj s ASP 668 CO 0.15 -0.33 1.61 0.40 0.52 0.00 0.00 175.17 177.51 1ukj h ILE 669 N 3.95 0.26 -0.07 4.11 2.04 -1.92 0.32 117.51 126.20 1ukj h ILE 669 Ca 0.16 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.95 1ukj h ILE 669 Cb 0.90 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1ukj h ILE 669 CO 0.94 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 178.81 1ukj h ALA 670 N 1.15 1.41 -0.16 1.87 0.00 -1.91 -1.33 119.26 120.29 1ukj h ALA 670 Ca 0.24 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ukj h ALA 670 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ukj h ALA 670 CO -0.62 0.42 0.10 0.78 0.00 0.00 0.00 179.25 179.93 1ukj h GLY 671 N 0.94 0.24 2.00 0.00 0.00 -0.75 -1.83 103.07 103.68 1ukj h GLY 671 Ca 0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 1ukj h GLY 671 CO 0.04 0.10 -0.40 -0.39 0.00 0.00 0.00 176.54 175.89 1ukj h VAL 672 N 0.18 0.74 -0.65 4.60 -1.51 -1.00 -3.15 116.25 115.46 1ukj h VAL 672 Ca 0.06 -1.86 -0.08 0.00 -1.23 0.00 0.00 66.70 63.59 1ukj h VAL 672 Cb 0.04 2.22 -0.03 0.00 -2.13 0.00 0.00 31.29 31.40 1ukj h VAL 672 CO -0.01 0.39 0.09 0.00 -1.23 0.00 0.00 177.57 176.82 1ukj h ALA 673 N 1.60 0.87 -0.30 5.19 0.00 -0.97 0.13 119.26 125.78 1ukj h ALA 673 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1ukj h ALA 673 Cb 1.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ukj h ALA 673 CO 0.05 0.65 0.10 -0.22 0.00 0.00 0.00 179.25 179.83 1ukj h LYS 674 N 1.01 0.46 -0.07 0.00 3.64 -1.31 -1.92 116.57 118.37 1ukj h LYS 674 Ca 0.20 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1ukj h LYS 674 Cb 0.46 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1ukj h LYS 674 CO 0.02 0.50 0.03 0.82 -2.27 0.00 0.00 179.45 178.55 1ukj h ILE 675 N 0.32 1.10 -0.59 2.00 2.04 -1.48 -2.74 117.51 118.16 1ukj h ILE 675 Ca 0.10 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.77 1ukj h ILE 675 Cb 0.23 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1ukj h ILE 675 CO -0.00 0.09 0.40 0.00 0.00 0.00 0.00 178.15 178.63 1ukj h ALA 676 N 0.92 2.06 -0.29 1.87 0.00 -0.64 -2.62 119.26 120.56 1ukj h ALA 676 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1ukj h ALA 676 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ukj h ALA 676 CO -0.00 -0.19 -0.04 -0.09 0.00 0.00 0.00 179.25 178.92 1ukj h ARG 677 N 0.37 0.54 0.22 0.00 9.65 -1.05 0.41 114.38 124.51 1ukj h ARG 677 Ca 0.27 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1ukj h ARG 677 Cb 0.59 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1ukj h ARG 677 CO -0.07 0.71 -0.11 0.87 2.80 0.00 0.00 179.97 184.18 1ukj h LYS 678 N 0.31 -0.29 -0.09 0.20 1.57 -1.31 -3.07 116.57 113.90 1ukj h LYS 678 Ca 0.08 0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 1ukj h LYS 678 Cb 0.50 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1ukj h LYS 678 CO 0.02 -0.18 -0.62 0.45 -0.57 0.00 0.00 179.45 178.55 1ukj h HIS 679 N -0.31 0.41 -0.17 -1.35 3.86 -1.57 -3.48 115.15 112.53 1ukj h HIS 679 Ca -0.03 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1ukj h HIS 679 Cb 0.24 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1ukj h HIS 679 CO -0.06 0.85 0.00 0.41 0.86 0.00 0.00 177.93 179.99 1ukj n GLY 680 N 0.32 0.86 3.68 2.45 0.00 0.10 -5.05 105.19 107.55 1ukj n GLY 680 Ca -0.03 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1ukj n GLY 680 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj s ALA 681 N -1.90 3.26 -0.31 4.61 0.00 0.10 -4.95 121.76 122.58 1ukj s ALA 681 Ca 0.00 -1.29 -0.17 0.00 0.00 0.00 0.00 51.96 50.50 1ukj s ALA 681 Cb 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 1ukj s ALA 681 CO 0.00 0.54 0.48 0.99 0.00 0.00 0.00 175.76 177.77 1ukj s THR 682 N -1.62 5.07 -0.26 0.00 2.01 -0.43 -4.50 115.64 115.91 1ukj s THR 682 Ca 0.27 0.55 -0.18 0.00 0.31 0.00 0.00 61.69 62.64 1ukj s THR 682 Cb -0.10 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1ukj s THR 682 CO 0.19 -0.05 0.52 -0.69 -0.69 0.00 0.00 174.62 173.90 1ukj s VAL 683 N 2.30 5.07 -0.13 3.82 1.01 -1.26 -1.04 120.40 130.17 1ukj s VAL 683 Ca 0.19 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1ukj s VAL 683 Cb -0.16 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1ukj s VAL 683 CO 0.11 0.09 -0.17 0.68 0.00 0.00 0.00 175.10 175.81 1ukj s VAL 684 N 2.28 1.69 -0.06 2.92 -7.23 -0.26 0.19 120.40 119.94 1ukj s VAL 684 Ca 0.21 -0.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.66 1ukj s VAL 684 Cb -0.16 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 1ukj s VAL 684 CO 0.09 0.48 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.58 1ukj s VAL 685 N 1.09 3.55 -0.74 1.32 1.01 -0.47 -3.08 120.40 123.09 1ukj s VAL 685 Ca -0.03 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 1ukj s VAL 685 Cb -0.14 -2.45 0.13 0.00 0.00 0.00 0.00 36.38 33.91 1ukj s VAL 685 CO -0.05 0.57 0.86 -0.62 0.00 0.00 0.00 175.10 175.87 1ukj s ASP 686 N -0.86 6.41 -0.20 3.32 -1.08 -0.27 -1.55 116.67 122.43 1ukj s ASP 686 Ca 0.13 -1.79 0.00 0.00 -0.52 0.00 0.00 52.55 50.38 1ukj s ASP 686 Cb -0.11 -2.33 0.21 0.00 -1.46 0.00 0.00 42.92 39.23 1ukj s ASP 686 CO 0.02 -1.04 1.67 -3.20 0.52 0.00 0.00 175.17 173.14 1ukj n ASN 687 N 6.12 4.71 0.14 -0.34 5.15 -0.99 -4.07 115.26 125.98 1ukj n ASN 687 Ca 0.05 -2.75 -0.14 0.00 -0.60 0.00 0.00 54.58 51.14 1ukj n ASN 687 Cb 0.45 -0.84 -0.08 0.00 -0.53 0.00 0.00 39.78 38.78 1ukj n ASN 687 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1ukj h THR 688 N 0.68 0.82 -0.75 -0.44 2.02 -1.91 -2.89 112.91 110.43 1ukj h THR 688 Ca 0.23 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 67.15 1ukj h THR 688 Cb 1.32 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 68.68 1ukj h THR 688 CO 0.49 0.07 0.44 1.88 0.37 0.00 0.00 175.52 178.78 1ukj h TYR 689 N -0.47 0.81 0.20 3.16 -1.99 -1.91 -3.30 116.97 113.48 1ukj h TYR 689 Ca -0.03 0.03 -0.30 0.00 2.00 0.00 0.00 58.73 60.42 1ukj h TYR 689 Cb 0.35 -0.26 0.03 0.00 2.00 0.00 0.00 36.73 38.85 1ukj h TYR 689 CO -0.02 0.40 -1.38 0.00 -0.00 0.00 0.00 178.16 177.16 1ukj n THR 691 N -3.81 -0.21 0.11 0.00 -2.24 -1.09 -3.28 114.28 103.76 1ukj n THR 691 Ca -0.19 0.14 0.01 0.00 -2.27 0.00 0.00 64.05 61.75 1ukj n THR 691 Cb 1.02 -0.23 0.06 0.00 -2.10 0.00 0.00 70.33 69.08 1ukj n THR 691 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ukj n PRO 692 N -2.05 0.05 0.06 -0.78 -0.04 -1.26 -1.80 135.00 129.19 1ukj n PRO 692 Ca -0.01 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1ukj n PRO 692 Cb 0.08 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 1ukj n PRO 692 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1ukj n TYR 693 N -1.08 0.80 0.03 0.54 9.36 -1.26 -4.22 117.16 121.33 1ukj n TYR 693 Ca 0.01 0.24 0.06 0.00 3.32 0.00 0.00 57.90 61.54 1ukj n TYR 693 Cb 0.01 -0.93 -0.10 0.00 -0.63 0.00 0.00 39.34 37.69 1ukj n TYR 693 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1ukj n LEU 694 N -2.68 0.04 -3.63 2.98 4.32 -0.75 -4.79 117.00 112.50 1ukj n LEU 694 Ca -0.04 -0.03 -0.12 0.00 -0.02 0.00 0.00 56.01 55.80 1ukj n LEU 694 Cb 0.65 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.38 1ukj n LEU 694 CO 0.42 0.01 0.59 -1.58 -1.22 0.00 0.00 177.39 175.61 1ukj s GLN 695 N -2.82 0.67 -0.61 3.23 0.74 -1.05 0.10 119.66 119.92 1ukj s GLN 695 Ca -0.04 0.77 0.05 0.00 0.05 0.00 0.00 55.36 56.19 1ukj s GLN 695 Cb 0.08 0.33 0.19 0.00 1.10 0.00 0.00 33.01 34.71 1ukj s GLN 695 CO 0.52 -0.08 0.53 0.54 -0.55 0.00 0.00 175.29 176.24 1ukj n ARG 696 N 2.39 1.59 -0.34 1.67 1.74 -1.26 -4.00 116.66 118.46 1ukj n ARG 696 Ca -0.13 -4.18 0.31 0.00 -0.77 0.00 0.00 57.85 53.07 1ukj n ARG 696 Cb 0.55 -2.08 0.57 0.00 -1.02 0.00 0.00 32.46 30.49 1ukj n ARG 696 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1ukj h PRO 697 N 5.04 0.08 -0.71 5.56 0.11 -1.94 0.30 132.00 140.45 1ukj h PRO 697 Ca 0.18 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.35 1ukj h PRO 697 Cb 0.77 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.82 1ukj h PRO 697 CO 0.66 0.05 0.47 -0.07 -0.21 0.00 0.00 178.00 178.90 1ukj h LEU 698 N 0.08 0.64 -0.31 2.35 4.07 -1.81 -0.37 115.31 119.96 1ukj h LEU 698 Ca 0.82 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.79 1ukj h LEU 698 Cb 2.15 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 43.75 1ukj h LEU 698 CO -0.70 0.41 0.00 -0.33 -1.08 0.00 0.00 178.44 176.74 1ukj h GLU 699 N 0.73 0.00 -0.00 1.13 5.08 -0.64 -2.88 114.58 118.00 1ukj h GLU 699 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1ukj h GLU 699 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ukj h GLU 699 CO -0.10 0.00 -0.18 1.28 -1.00 0.00 0.00 179.01 179.01 1ukj n LEU 700 N -2.95 0.57 0.00 1.33 4.32 -0.24 -4.91 117.00 115.12 1ukj n LEU 700 Ca 0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1ukj n LEU 700 Cb 0.46 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1ukj n LEU 700 CO 0.32 0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 1ukj n GLY 701 N 1.34 1.92 3.41 -0.72 0.00 -0.97 -3.46 105.19 106.72 1ukj n GLY 701 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1ukj n GLY 701 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj n ALA 702 N 0.00 -2.42 -0.10 4.61 0.00 -0.67 -4.90 120.51 117.03 1ukj n ALA 702 Ca 0.00 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 52.84 1ukj n ALA 702 Cb 0.00 -1.78 -0.15 0.00 0.00 0.00 0.00 19.45 17.52 1ukj n ALA 702 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ukj n ASP 703 N -0.70 0.36 -3.87 0.00 8.00 0.13 -4.52 116.55 115.95 1ukj n ASP 703 Ca 0.07 -0.02 -0.11 0.00 0.71 0.00 0.00 54.79 55.45 1ukj n ASP 703 Cb 0.52 0.80 -0.09 0.00 -0.02 0.00 0.00 41.12 42.33 1ukj n ASP 703 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ukj s LEU 704 N -5.61 1.52 -0.03 0.64 1.02 -0.86 -3.87 118.68 111.49 1ukj s LEU 704 Ca -0.13 -0.32 0.02 0.00 0.02 0.00 0.00 54.13 53.71 1ukj s LEU 704 Cb 0.06 0.78 0.01 0.00 0.02 0.00 0.00 46.19 47.06 1ukj s LEU 704 CO 0.78 -0.47 -0.07 0.68 0.02 0.00 0.00 176.35 177.30 1ukj s VAL 705 N -2.06 0.62 0.12 -1.59 -7.23 0.03 -1.37 120.40 108.92 1ukj s VAL 705 Ca -0.09 -0.25 0.08 0.00 -1.81 0.00 0.00 61.98 59.91 1ukj s VAL 705 Cb -0.04 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 1ukj s VAL 705 CO -0.01 0.21 -0.14 0.68 -0.31 0.00 0.00 175.10 175.53 1ukj s VAL 706 N 0.33 3.11 0.02 1.32 -7.23 -0.59 -1.05 120.40 116.31 1ukj s VAL 706 Ca -0.05 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1ukj s VAL 706 Cb -0.09 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1ukj s VAL 706 CO 0.00 0.07 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.80 1ukj s HIS 707 N -1.25 0.56 -0.75 2.82 3.76 0.26 -2.35 115.29 118.33 1ukj s HIS 707 Ca 0.20 -0.35 -0.09 0.00 -0.15 0.00 0.00 55.06 54.68 1ukj s HIS 707 Cb -0.11 -0.34 0.20 0.00 1.11 0.00 0.00 32.58 33.44 1ukj s HIS 707 CO 0.12 -0.06 0.64 0.45 -0.85 0.00 0.00 174.74 175.04 1ukj s SER 708 N -1.03 6.12 0.00 1.40 0.15 -1.26 -0.79 113.70 118.29 1ukj s SER 708 Ca -0.06 -2.82 0.11 0.00 0.70 0.00 0.00 55.95 53.88 1ukj s SER 708 Cb -0.07 -2.05 0.53 0.00 -1.71 0.00 0.00 66.02 62.72 1ukj s SER 708 CO 0.00 -0.47 1.24 0.00 1.20 0.00 0.00 173.24 175.22 1ukj n ALA 709 N 3.68 1.65 0.21 5.45 0.00 -0.03 -4.51 120.51 126.96 1ukj n ALA 709 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.52 1ukj n ALA 709 Cb 0.43 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1ukj n ALA 709 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ukj n THR 710 N -1.31 0.00 -0.26 0.00 -1.04 -1.03 -1.50 114.28 109.15 1ukj n THR 710 Ca 0.05 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.20 1ukj n THR 710 Cb 0.09 -0.62 0.26 0.00 -1.82 0.00 0.00 70.33 68.25 1ukj n THR 710 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1ukj n TYR 712 N -0.67 0.56 -0.08 -1.42 4.01 -1.25 -4.53 117.16 113.77 1ukj n TYR 712 Ca 0.01 0.90 -0.07 0.00 -0.16 0.00 0.00 57.90 58.58 1ukj n TYR 712 Cb 0.00 -1.11 -0.01 0.00 -0.31 0.00 0.00 39.34 37.91 1ukj n TYR 712 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1ukj h LEU 713 N 0.00 -0.78 -0.51 7.72 4.07 -1.84 0.06 115.31 124.02 1ukj h LEU 713 Ca 0.49 0.15 -0.16 0.00 0.08 0.00 0.00 57.88 58.44 1ukj h LEU 713 Cb 1.09 0.38 -0.01 0.00 1.08 0.00 0.00 40.66 43.20 1ukj h LEU 713 CO -0.68 -0.27 -0.50 -1.28 -1.08 0.00 0.00 178.44 174.63 1ukj h SER 714 N -0.21 0.70 0.00 -0.43 0.87 -1.55 -3.12 113.55 109.81 1ukj h SER 714 Ca 0.16 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1ukj h SER 714 Cb 0.46 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1ukj h SER 714 CO -0.43 1.08 0.00 0.61 -0.53 0.00 0.00 176.83 177.56 1ukj n GLY 715 N 0.19 0.55 0.29 5.77 0.00 0.00 -4.46 105.19 107.54 1ukj n GLY 715 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 1ukj n GLY 715 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ukj n HIS 716 N -1.64 0.16 -3.52 1.61 8.25 -1.26 -2.37 115.22 116.46 1ukj n HIS 716 Ca 0.00 -0.35 -0.26 0.00 -0.26 0.00 0.00 57.72 56.85 1ukj n HIS 716 Cb 0.00 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.09 1ukj n HIS 716 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ukj n GLY 717 N 0.10 -0.49 0.03 -1.41 0.00 -1.26 -4.86 105.19 97.30 1ukj n GLY 717 Ca 0.05 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.24 1ukj n GLY 717 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ukj n ASP 718 N -2.51 0.47 -4.22 1.61 3.85 -1.26 -5.02 116.55 109.47 1ukj n ASP 718 Ca -0.01 -0.73 -0.13 0.00 -0.71 0.00 0.00 54.79 53.20 1ukj n ASP 718 Cb 0.55 0.90 -0.10 0.00 -1.35 0.00 0.00 41.12 41.12 1ukj n ASP 718 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.20 176.46 1ukj s ILE 719 N -1.58 1.02 -0.13 2.12 -4.36 -1.26 -5.14 121.20 111.87 1ukj s ILE 719 Ca 0.03 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.48 1ukj s ILE 719 Cb 0.06 -1.74 0.01 0.00 1.25 0.00 0.00 42.46 42.03 1ukj s ILE 719 CO 0.28 -0.75 -0.23 -0.89 0.24 0.00 0.00 174.94 173.59 1ukj s THR 720 N -3.28 2.06 0.15 8.37 2.01 -1.26 -4.56 115.64 119.13 1ukj s THR 720 Ca 0.14 -0.99 -0.24 0.00 0.31 0.00 0.00 61.69 60.91 1ukj s THR 720 Cb 0.02 -1.81 0.07 0.00 0.01 0.00 0.00 72.50 70.80 1ukj s THR 720 CO -0.01 0.55 0.66 0.00 -0.69 0.00 0.00 174.62 175.13 1ukj s ALA 721 N 0.67 -1.59 0.19 7.40 0.00 -1.24 -4.47 121.76 122.72 1ukj s ALA 721 Ca -0.11 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.35 1ukj s ALA 721 Cb -0.16 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 1ukj s ALA 721 CO 0.01 -0.79 0.01 0.20 0.00 0.00 0.00 175.76 175.19 1ukj s GLY 722 N -2.74 1.33 -0.10 0.00 0.00 -0.36 -0.85 107.32 104.61 1ukj s GLY 722 Ca 0.03 -1.65 -0.09 0.00 0.00 0.00 0.00 44.72 43.01 1ukj s GLY 722 CO -0.10 -1.56 0.25 -0.42 0.00 0.00 0.00 173.10 171.27 1ukj s ILE 723 N -3.61 -0.00 -0.10 0.90 -1.09 0.03 -1.66 121.20 115.66 1ukj s ILE 723 Ca 0.26 0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.70 1ukj s ILE 723 Cb 0.06 -0.36 0.02 0.00 -1.58 0.00 0.00 42.46 40.59 1ukj s ILE 723 CO 0.06 0.00 -0.14 -0.69 -1.23 0.00 0.00 174.94 172.94 1ukj s VAL 724 N 0.20 1.43 -0.04 2.92 1.01 0.04 0.93 120.40 126.89 1ukj s VAL 724 Ca -0.01 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1ukj s VAL 724 Cb -0.02 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 1ukj s VAL 724 CO -0.00 0.43 -0.14 -0.69 0.00 0.00 0.00 175.10 174.69 1ukj s VAL 725 N 0.99 1.20 0.00 2.92 1.01 -0.22 0.12 120.40 126.43 1ukj s VAL 725 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1ukj s VAL 725 Cb -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1ukj s VAL 725 CO -0.01 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1ukj n GLY 726 N 3.20 1.58 3.83 4.51 0.00 0.37 -0.79 105.19 117.90 1ukj n GLY 726 Ca -0.18 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 1ukj n GLY 726 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ukj s SER 727 N 2.00 6.32 0.32 1.61 1.04 -1.25 -0.36 113.70 123.38 1ukj s SER 727 Ca 0.00 1.62 0.01 0.00 0.48 0.00 0.00 55.95 58.06 1ukj s SER 727 Cb 0.00 -2.51 0.55 0.00 0.10 0.00 0.00 66.02 64.16 1ukj s SER 727 CO 0.00 -0.80 1.96 -0.61 0.98 0.00 0.00 173.24 174.77 1ukj h GLN 728 N 0.60 0.96 -0.18 4.02 5.75 -1.89 0.16 115.11 124.53 1ukj h GLN 728 Ca -0.46 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 57.91 1ukj h GLN 728 Cb 1.20 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 29.53 1ukj h GLN 728 CO 0.60 0.64 -0.17 0.00 -2.65 0.00 0.00 178.83 177.24 1ukj h ALA 729 N 1.53 0.27 -0.04 3.38 0.00 -1.99 -0.43 119.26 121.97 1ukj h ALA 729 Ca 0.31 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ukj h ALA 729 Cb 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ukj h ALA 729 CO -0.09 0.17 0.01 -0.07 0.00 0.00 0.00 179.25 179.28 1ukj h LEU 730 N 0.10 0.06 -0.98 0.00 4.07 -1.84 -2.78 115.31 113.95 1ukj h LEU 730 Ca 0.03 -0.21 -0.09 0.00 0.08 0.00 0.00 57.88 57.68 1ukj h LEU 730 Cb 0.71 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 1ukj h LEU 730 CO 0.04 0.26 -0.28 0.58 -1.08 0.00 0.00 178.44 177.96 1ukj h VAL 731 N -0.14 1.27 -0.36 1.22 2.07 -0.73 -2.36 116.25 117.23 1ukj h VAL 731 Ca 0.01 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1ukj h VAL 731 Cb 0.22 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1ukj h VAL 731 CO -0.00 0.40 0.14 0.44 0.02 0.00 0.00 177.57 178.58 1ukj h ASP 732 N 0.35 0.49 -0.77 0.57 3.32 -1.04 -1.01 116.42 118.33 1ukj h ASP 732 Ca 0.05 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1ukj h ASP 732 Cb 0.68 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 1ukj h ASP 732 CO 0.05 0.52 0.44 0.03 -1.72 0.00 0.00 179.24 178.56 1ukj h ARG 733 N 0.43 1.06 -0.07 3.56 3.08 -1.34 0.68 114.38 121.77 1ukj h ARG 733 Ca 0.12 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1ukj h ARG 733 Cb 0.18 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1ukj h ARG 733 CO -0.01 0.77 -0.35 0.82 -1.07 0.00 0.00 179.97 180.13 1ukj h ILE 734 N 1.06 1.27 0.14 2.04 2.04 -1.22 -1.43 117.51 121.41 1ukj h ILE 734 Ca 0.27 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1ukj h ILE 734 Cb -0.00 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1ukj h ILE 734 CO -0.05 0.38 -0.07 -0.09 0.00 0.00 0.00 178.15 178.32 1ukj h ARG 735 N 0.12 -0.18 0.00 2.37 2.43 -0.53 -0.97 114.38 117.61 1ukj h ARG 735 Ca 0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1ukj h ARG 735 Cb 0.67 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1ukj h ARG 735 CO 0.05 0.26 0.00 1.28 -1.51 0.00 0.00 179.97 180.05 1ukj n LEU 736 N -4.90 0.00 0.08 3.80 4.32 0.17 -2.31 117.00 118.17 1ukj n LEU 736 Ca -0.08 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1ukj n LEU 736 Cb 0.27 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1ukj n LEU 736 CO 0.25 -0.16 -0.05 0.00 -1.22 0.00 0.00 177.39 176.21 1ukj n GLN 737 N -1.33 0.00 0.33 3.23 6.02 -0.55 -4.62 117.38 120.46 1ukj n GLN 737 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.88 1ukj n GLN 737 Cb 0.14 -0.16 -0.09 0.00 1.02 0.00 0.00 30.24 31.15 1ukj n GLN 737 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1ukj h GLY 738 N 0.00 -0.90 0.37 1.08 0.00 -1.41 -2.47 103.07 99.75 1ukj h GLY 738 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1ukj h GLY 738 CO 0.00 -0.33 -0.16 -2.00 0.00 0.00 0.00 176.54 174.05 1ukj h LEU 739 N -0.85 -0.39 -0.45 3.11 5.85 -1.29 -1.31 115.31 119.98 1ukj h LEU 739 Ca -0.08 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.69 1ukj h LEU 739 Cb 0.67 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 1ukj h LEU 739 CO 0.10 0.07 -0.20 0.50 -0.34 0.00 0.00 178.44 178.58 1ukj h LYS 740 N -1.09 -0.10 0.00 1.25 3.64 -1.59 1.02 116.57 119.70 1ukj h LYS 740 Ca -0.05 0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.04 1ukj h LYS 740 Cb 0.41 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 1ukj h LYS 740 CO 0.08 -0.06 -2.04 -0.25 -2.27 0.00 0.00 179.45 174.91 1ukj n ASP 741 N -5.39 1.87 -0.15 4.20 8.00 -1.03 -4.55 116.55 119.51 1ukj n ASP 741 Ca 0.03 0.10 0.13 0.00 0.71 0.00 0.00 54.79 55.76 1ukj n ASP 741 Cb 0.30 -0.44 0.39 0.00 -0.02 0.00 0.00 41.12 41.35 1ukj n ASP 741 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1ukj n MET 742 N -3.50 0.55 0.00 -1.24 2.81 -0.96 -4.66 117.12 110.11 1ukj n MET 742 Ca -0.35 -0.29 0.00 0.00 -1.81 0.00 0.00 57.70 55.25 1ukj n MET 742 Cb 0.79 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 1ukj n MET 742 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ukj n THR 743 N -0.97 0.00 -1.73 2.03 -1.04 -0.50 -5.00 114.28 107.07 1ukj n THR 743 Ca 0.11 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.93 1ukj n THR 743 Cb 0.33 -0.56 -0.06 0.00 -1.82 0.00 0.00 70.33 68.22 1ukj n THR 743 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ukj n GLY 744 N 1.84 1.32 2.55 3.41 0.00 0.35 -4.86 105.19 109.82 1ukj n GLY 744 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 1ukj n GLY 744 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj n ALA 745 N 0.62 6.13 -2.11 4.61 0.00 -1.26 -4.93 120.51 123.56 1ukj n ALA 745 Ca -0.20 -3.36 -0.41 0.00 0.00 0.00 0.00 53.44 49.48 1ukj n ALA 745 Cb 0.63 -3.39 -0.03 0.00 0.00 0.00 0.00 19.45 16.66 1ukj n ALA 745 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ukj s VAL 746 N 2.93 3.61 0.01 0.00 1.01 -1.26 0.60 120.40 127.30 1ukj s VAL 746 Ca 0.57 1.31 -0.19 0.00 0.00 0.00 0.00 61.98 63.67 1ukj s VAL 746 Cb 0.15 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 1ukj s VAL 746 CO -0.05 0.19 0.55 -0.22 0.00 0.00 0.00 175.10 175.57 1ukj s LEU 747 N 0.04 4.44 -0.10 3.92 2.96 -1.26 -4.15 118.68 124.54 1ukj s LEU 747 Ca 0.55 1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 55.29 1ukj s LEU 747 Cb -0.32 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 1ukj s LEU 747 CO 0.35 0.17 0.98 -0.55 -1.32 0.00 0.00 176.35 175.99 1ukj s SER 748 N -0.49 7.23 0.46 3.68 0.15 -1.26 -4.89 113.70 118.57 1ukj s SER 748 Ca 0.29 1.51 0.33 0.00 0.70 0.00 0.00 55.95 58.77 1ukj s SER 748 Cb -0.18 -2.55 1.46 0.00 -1.71 0.00 0.00 66.02 63.05 1ukj s SER 748 CO 0.16 -0.42 1.63 -0.65 1.20 0.00 0.00 173.24 175.16 1ukj h PRO 749 N 7.08 0.07 -0.60 5.44 0.11 -1.95 0.66 132.00 142.82 1ukj h PRO 749 Ca -0.32 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 1ukj h PRO 749 Cb 1.15 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1ukj h PRO 749 CO 0.84 0.05 0.27 1.25 -0.21 0.00 0.00 178.00 180.20 1ukj h HIS 750 N 0.08 0.88 -0.06 0.65 -0.00 -1.92 -1.59 115.15 113.18 1ukj h HIS 750 Ca 0.82 -0.05 -0.23 0.00 -0.00 0.00 0.00 60.37 60.91 1ukj h HIS 750 Cb 2.69 -0.27 0.02 0.00 -0.00 0.00 0.00 27.41 29.85 1ukj h HIS 750 CO -0.00 0.69 -0.86 -0.44 -0.00 0.00 0.00 177.93 177.31 1ukj h ASP 751 N 0.82 0.87 -0.48 3.26 5.19 -0.15 -2.63 116.42 123.30 1ukj h ASP 751 Ca 0.20 -0.69 0.05 0.00 -0.62 0.00 0.00 57.03 55.97 1ukj h ASP 751 Cb 0.15 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 1ukj h ASP 751 CO -0.02 1.44 0.32 0.00 -3.12 0.00 0.00 179.24 177.86 1ukj h ALA 752 N 0.45 1.89 -0.00 3.45 0.00 -0.95 0.38 119.26 124.47 1ukj h ALA 752 Ca -0.09 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1ukj h ALA 752 Cb 1.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1ukj h ALA 752 CO 0.17 0.03 -0.84 0.00 0.00 0.00 0.00 179.25 178.62 1ukj h ALA 753 N 1.74 0.58 -0.31 0.00 0.00 -1.25 -2.08 119.26 117.94 1ukj h ALA 753 Ca 0.21 -0.71 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1ukj h ALA 753 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ukj h ALA 753 CO -0.05 0.92 -0.36 -0.07 0.00 0.00 0.00 179.25 179.68 1ukj h LEU 754 N 0.09 0.74 -0.51 0.00 3.38 -0.80 -2.10 115.31 116.10 1ukj h LEU 754 Ca -0.03 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1ukj h LEU 754 Cb 1.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1ukj h LEU 754 CO 0.12 1.02 0.19 0.25 0.09 0.00 0.00 178.44 180.12 1ukj h LEU 755 N 0.58 0.71 -1.89 1.67 6.46 -0.85 -1.16 115.31 120.84 1ukj h LEU 755 Ca 0.06 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1ukj h LEU 755 Cb 0.89 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1ukj h LEU 755 CO 0.08 0.70 -0.08 0.24 -0.62 0.00 0.00 178.44 178.76 1ukj h MET 756 N 0.68 0.00 0.10 1.25 2.86 -1.17 0.49 114.93 119.15 1ukj h MET 756 Ca 0.17 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.53 1ukj h MET 756 Cb 0.21 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.89 1ukj h MET 756 CO -0.01 0.08 -1.18 -0.09 1.06 0.00 0.00 176.91 176.77 1ukj h ARG 757 N 0.00 0.44 -0.07 1.72 2.43 -0.67 -3.12 114.38 115.11 1ukj h ARG 757 Ca -0.00 -0.61 -0.03 0.00 -0.81 0.00 0.00 59.98 58.54 1ukj h ARG 757 Cb 0.37 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1ukj h ARG 757 CO 0.01 1.25 -0.06 0.78 -1.51 0.00 0.00 179.97 180.45 1ukj h GLY 758 N 0.99 0.18 0.42 2.80 0.00 -0.29 -3.02 103.07 104.14 1ukj h GLY 758 Ca -0.15 -0.17 0.23 0.00 0.00 0.00 0.00 47.33 47.24 1ukj h GLY 758 CO 0.21 0.16 0.57 -2.22 0.00 0.00 0.00 176.54 175.26 1ukj h ILE 759 N -0.26 0.61 0.00 2.60 2.04 -0.87 -0.24 117.51 121.39 1ukj h ILE 759 Ca 0.01 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1ukj h ILE 759 Cb 0.55 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1ukj h ILE 759 CO 0.01 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.46 1ukj n LYS 760 N -4.31 0.01 -0.20 2.37 5.02 -1.14 -0.82 118.16 119.10 1ukj n LYS 760 Ca 0.16 0.36 0.03 0.00 -2.02 0.00 0.00 58.31 56.84 1ukj n LYS 760 Cb 0.86 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.41 1ukj n LYS 760 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ukj n THR 761 N -1.38 0.72 -0.05 -0.18 -2.24 -0.11 -4.89 114.28 106.15 1ukj n THR 761 Ca 0.01 -0.84 -0.06 0.00 -2.27 0.00 0.00 64.05 60.89 1ukj n THR 761 Cb 0.02 0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 1ukj n THR 761 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ukj h LEU 762 N 0.00 -0.76 -0.57 3.22 5.85 -0.96 0.12 115.31 122.21 1ukj h LEU 762 Ca 0.00 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.93 1ukj h LEU 762 Cb 1.07 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 42.31 1ukj h LEU 762 CO 0.00 -0.17 0.03 -0.55 -0.34 0.00 0.00 178.44 177.40 1ukj h ASN 763 N -0.18 -0.20 -0.20 1.25 -0.00 -1.91 0.17 115.58 114.51 1ukj h ASN 763 Ca 0.03 0.13 0.01 0.00 -0.00 0.00 0.00 56.30 56.47 1ukj h ASN 763 Cb 0.25 0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.78 1ukj h ASN 763 CO -0.23 -0.07 0.10 -0.07 -0.00 0.00 0.00 177.43 177.15 1ukj h LEU 764 N 0.14 0.15 -0.48 6.14 3.38 -1.80 -1.42 115.31 121.43 1ukj h LEU 764 Ca 0.29 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 1ukj h LEU 764 Cb 0.46 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1ukj h LEU 764 CO -0.46 0.12 0.08 0.03 0.09 0.00 0.00 178.44 178.29 1ukj h ARG 765 N 0.21 0.80 -0.14 1.13 3.08 -0.02 -2.86 114.38 116.59 1ukj h ARG 765 Ca 0.08 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1ukj h ARG 765 Cb 0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1ukj h ARG 765 CO -0.06 0.81 -0.18 0.52 -1.07 0.00 0.00 179.97 179.99 1ukj h MET 766 N 0.67 0.23 -0.53 0.04 2.86 -0.53 -1.83 114.93 115.85 1ukj h MET 766 Ca 0.15 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1ukj h MET 766 Cb 0.40 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1ukj h MET 766 CO 0.01 0.42 -0.07 -0.44 1.06 0.00 0.00 176.91 177.88 1ukj h ASP 767 N 0.21 0.94 0.32 1.22 5.19 -1.09 -1.61 116.42 121.60 1ukj h ASP 767 Ca 0.04 -0.28 -0.19 0.00 -0.62 0.00 0.00 57.03 55.98 1ukj h ASP 767 Cb 0.46 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1ukj h ASP 767 CO 0.03 1.04 -0.75 -0.09 -3.12 0.00 0.00 179.24 176.34 1ukj h ARG 768 N 0.86 0.36 -0.20 3.56 9.65 -1.26 -1.31 114.38 126.04 1ukj h ARG 768 Ca 0.14 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1ukj h ARG 768 Cb 0.60 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1ukj h ARG 768 CO 0.04 0.96 0.08 0.45 2.80 0.00 0.00 179.97 184.30 1ukj h HIS 769 N 0.24 0.29 -0.27 2.20 3.86 -1.19 -0.05 115.15 120.24 1ukj h HIS 769 Ca -0.03 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.05 1ukj h HIS 769 Cb 1.33 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.70 1ukj h HIS 769 CO 0.04 0.33 -0.28 0.00 0.86 0.00 0.00 177.93 178.88 1ukj h ALA 771 N 1.23 0.43 -0.32 0.00 0.00 -1.05 -2.52 119.26 117.03 1ukj h ALA 771 Ca 0.06 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1ukj h ALA 771 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ukj h ALA 771 CO 0.06 0.37 -0.23 -0.91 0.00 0.00 0.00 179.25 178.54 1ukj h ASN 772 N 0.42 0.77 -0.38 0.00 4.21 -0.89 -3.16 115.58 116.55 1ukj h ASN 772 Ca 0.06 -0.44 -0.02 0.00 1.21 0.00 0.00 56.30 57.11 1ukj h ASN 772 Cb 0.74 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 1ukj h ASN 772 CO 0.05 1.04 0.16 0.00 -1.29 0.00 0.00 177.43 177.39 1ukj h ALA 773 N 0.75 0.49 -0.09 -0.83 0.00 -1.14 -2.33 119.26 116.11 1ukj h ALA 773 Ca 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ukj h ALA 773 Cb 0.79 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1ukj h ALA 773 CO 0.06 0.08 -0.25 1.96 0.00 0.00 0.00 179.25 181.11 1ukj h GLN 774 N 0.47 -0.32 -0.74 0.00 1.08 -1.50 0.32 115.11 114.41 1ukj h GLN 774 Ca 0.13 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.40 1ukj h GLN 774 Cb 0.17 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 1ukj h GLN 774 CO -0.01 -0.21 0.48 0.28 -0.95 0.00 0.00 178.83 178.42 1ukj h VAL 775 N -0.33 1.06 -0.21 -0.54 2.07 -1.50 0.16 116.25 116.95 1ukj h VAL 775 Ca 0.09 -0.28 -0.20 0.00 0.82 0.00 0.00 66.70 67.12 1ukj h VAL 775 Cb 0.46 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1ukj h VAL 775 CO -0.28 0.15 -0.65 -0.07 0.02 0.00 0.00 177.57 176.74 1ukj h LEU 776 N 0.83 0.94 -0.23 2.57 3.38 -0.72 -2.43 115.31 119.65 1ukj h LEU 776 Ca 0.31 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ukj h LEU 776 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ukj h LEU 776 CO -0.10 1.36 0.13 0.00 0.09 0.00 0.00 178.44 179.92 1ukj h ALA 777 N 0.60 0.30 -0.32 1.53 0.00 0.39 0.29 119.26 122.05 1ukj h ALA 777 Ca -0.02 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ukj h ALA 777 Cb 1.27 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1ukj h ALA 777 CO 0.14 -0.17 -0.20 1.49 0.00 0.00 0.00 179.25 180.50 1ukj h GLU 778 N 0.26 -0.16 0.54 0.00 4.57 -0.70 -0.97 114.58 118.13 1ukj h GLU 778 Ca 0.08 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1ukj h GLU 778 Cb 0.07 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1ukj h GLU 778 CO -0.01 -0.11 -0.26 0.35 -1.18 0.00 0.00 179.01 177.80 1ukj h PHE 779 N -0.17 -0.68 -0.98 0.92 3.04 -0.96 -2.95 116.94 115.17 1ukj h PHE 779 Ca 0.17 -0.02 0.18 0.00 3.98 0.00 0.00 57.97 62.28 1ukj h PHE 779 Cb 0.42 0.22 -0.10 0.00 2.56 0.00 0.00 35.95 39.05 1ukj h PHE 779 CO -0.40 -0.41 0.58 -0.07 -2.02 0.00 0.00 178.31 175.99 1ukj h LEU 780 N -0.76 0.74 0.12 0.59 3.38 -0.20 -2.56 115.31 116.62 1ukj h LEU 780 Ca -0.07 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ukj h LEU 780 Cb 0.57 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1ukj h LEU 780 CO 0.12 0.27 -0.41 0.00 0.09 0.00 0.00 178.44 178.51 1ukj h ALA 781 N 1.63 -0.73 0.00 1.53 0.00 -1.00 -1.56 119.26 119.13 1ukj h ALA 781 Ca 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1ukj h ALA 781 Cb 0.84 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1ukj h ALA 781 CO -0.38 -0.98 0.00 0.54 0.00 0.00 0.00 179.25 178.44 1ukj n ARG 782 N -5.46 0.49 -3.06 0.00 1.74 -0.97 -4.78 116.66 104.62 1ukj n ARG 782 Ca -0.07 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 1ukj n ARG 782 Cb 0.38 -1.13 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 1ukj n ARG 782 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ukj s GLN 783 N -2.00 4.43 0.58 5.56 -1.52 -0.59 -4.95 119.66 121.18 1ukj s GLN 783 Ca 0.06 0.86 0.36 0.00 -1.95 0.00 0.00 55.36 54.70 1ukj s GLN 783 Cb 0.03 -3.43 1.75 0.00 -0.22 0.00 0.00 33.01 31.14 1ukj s GLN 783 CO 0.05 0.10 2.14 -1.00 -0.25 0.00 0.00 175.29 176.33 1ukj h PRO 784 N 6.61 0.00 0.00 2.91 0.13 -1.87 -0.84 132.00 138.94 1ukj h PRO 784 Ca -0.41 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 1ukj h PRO 784 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1ukj h PRO 784 CO 0.75 0.03 -0.32 1.96 -0.23 0.00 0.00 178.00 180.19 1ukj h GLN 785 N 0.00 0.00 -5.73 0.86 7.50 -1.92 -3.44 115.11 112.38 1ukj h GLN 785 Ca -0.00 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.56 1ukj h GLN 785 Cb 0.30 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.74 1ukj h GLN 785 CO 0.00 0.32 0.22 0.08 -1.50 0.00 0.00 178.83 177.96 1ukj s VAL 786 N -3.15 4.96 -0.17 -0.54 1.01 -0.32 -2.18 120.40 120.01 1ukj s VAL 786 Ca 0.04 1.33 -0.15 0.00 0.00 0.00 0.00 61.98 63.20 1ukj s VAL 786 Cb 0.07 -4.01 -0.23 0.00 0.00 0.00 0.00 36.38 32.22 1ukj s VAL 786 CO 0.70 0.06 0.29 -0.08 0.00 0.00 0.00 175.10 176.08 1ukj h GLU 787 N 7.50 0.13 -4.76 2.72 4.57 -1.52 -3.46 114.58 119.76 1ukj h GLU 787 Ca -0.30 -0.21 -0.29 0.00 -1.18 0.00 0.00 59.36 57.38 1ukj h GLU 787 Cb 1.13 0.08 -0.19 0.00 -0.16 0.00 0.00 28.75 29.62 1ukj h GLU 787 CO 0.80 1.10 -0.73 -0.51 -1.18 0.00 0.00 179.01 178.49 1ukj s LEU 788 N -7.51 2.36 -0.06 1.64 1.43 -1.20 -4.99 118.68 110.35 1ukj s LEU 788 Ca -0.26 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.08 1ukj s LEU 788 Cb 0.06 -0.21 0.04 0.00 0.03 0.00 0.00 46.19 46.11 1ukj s LEU 788 CO 0.68 -0.27 0.12 -0.51 0.23 0.00 0.00 176.35 176.60 1ukj s ILE 789 N -2.20 -0.15 -0.56 -0.59 1.10 -1.26 -1.57 121.20 115.97 1ukj s ILE 789 Ca 0.00 0.30 -0.03 0.00 -0.51 0.00 0.00 60.65 60.41 1ukj s ILE 789 Cb -0.04 -0.23 0.15 0.00 0.15 0.00 0.00 42.46 42.49 1ukj s ILE 789 CO -0.01 0.12 0.37 -1.00 -2.11 0.00 0.00 174.94 172.32 1ukj s HIS 790 N 1.77 3.45 -0.12 3.50 3.76 0.41 -4.98 115.29 123.08 1ukj s HIS 790 Ca -0.02 -2.64 -0.03 0.00 -0.15 0.00 0.00 55.06 52.21 1ukj s HIS 790 Cb -0.12 -3.20 0.05 0.00 1.11 0.00 0.00 32.58 30.42 1ukj s HIS 790 CO -0.05 -0.87 0.06 -0.47 -0.85 0.00 0.00 174.74 172.56 1ukj s TYR 791 N 0.26 0.32 -0.76 1.40 5.04 -1.26 -2.18 117.35 120.16 1ukj s TYR 791 Ca 0.15 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1ukj s TYR 791 Cb -0.21 -0.68 0.00 0.00 0.35 0.00 0.00 41.96 41.42 1ukj s TYR 791 CO -0.03 -0.40 0.78 -2.30 -1.34 0.00 0.00 175.55 172.26 1ukj n PRO 792 N 5.24 0.00 0.00 4.97 -0.02 -1.26 -1.38 135.00 142.55 1ukj n PRO 792 Ca -0.06 0.30 0.13 0.00 -2.02 0.00 0.00 63.50 61.85 1ukj n PRO 792 Cb 0.49 -1.64 0.33 0.00 -0.02 0.00 0.00 33.50 32.67 1ukj n PRO 792 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ukj n GLY 793 N -1.28 -0.92 3.81 -1.23 0.00 -1.26 -4.86 105.19 99.45 1ukj n GLY 793 Ca 0.00 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1ukj n GLY 793 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ukj s LEU 794 N -2.73 4.52 0.09 0.99 1.02 -0.48 -4.96 118.68 117.14 1ukj s LEU 794 Ca 0.18 1.24 0.14 0.00 0.02 0.00 0.00 54.13 55.71 1ukj s LEU 794 Cb 0.18 -2.87 0.62 0.00 0.02 0.00 0.00 46.19 44.14 1ukj s LEU 794 CO 0.60 0.28 1.44 0.00 0.02 0.00 0.00 176.35 178.68 1ukj n ALA 795 N 1.72 1.44 1.06 4.21 0.00 -1.26 -1.49 120.51 126.19 1ukj n ALA 795 Ca -0.11 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1ukj n ALA 795 Cb 0.51 -1.22 0.31 0.00 0.00 0.00 0.00 19.45 19.05 1ukj n ALA 795 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ukj n SER 796 N -1.75 0.57 -4.58 0.00 3.41 -1.26 -4.89 113.62 105.10 1ukj n SER 796 Ca 0.02 -0.34 -0.47 0.00 -0.26 0.00 0.00 58.87 57.82 1ukj n SER 796 Cb 0.13 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 1ukj n SER 796 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1ukj n PHE 797 N -1.32 2.01 -0.22 7.33 7.35 -0.56 -4.83 117.46 127.22 1ukj n PHE 797 Ca 0.07 0.03 -0.03 0.00 -0.76 0.00 0.00 57.45 56.76 1ukj n PHE 797 Cb 0.34 -2.65 -0.02 0.00 0.35 0.00 0.00 39.48 37.50 1ukj n PHE 797 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1ukj n PRO 798 N 7.78 -0.18 -1.45 -7.13 -0.02 -1.26 0.53 135.00 133.27 1ukj n PRO 798 Ca 0.30 0.83 -0.36 0.00 -2.02 0.00 0.00 63.50 62.25 1ukj n PRO 798 Cb 0.32 -1.22 0.07 0.00 -0.02 0.00 0.00 33.50 32.65 1ukj n PRO 798 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ukj n GLN 799 N -4.74 2.73 -0.01 -0.52 6.02 -1.26 -4.75 117.38 114.85 1ukj n GLN 799 Ca 0.03 -3.36 -0.08 0.00 -0.01 0.00 0.00 57.00 53.59 1ukj n GLN 799 Cb 0.18 -2.29 -0.05 0.00 1.02 0.00 0.00 30.24 29.10 1ukj n GLN 799 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1ukj h TYR 800 N 2.17 -0.86 -0.35 1.08 3.20 -0.24 -1.01 116.97 120.96 1ukj h TYR 800 Ca 0.60 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.58 1ukj h TYR 800 Cb 0.70 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 39.27 1ukj h TYR 800 CO 1.38 -0.29 -0.19 1.15 -1.64 0.00 0.00 178.16 178.58 1ukj h THR 801 N -0.30 0.45 -0.28 1.81 2.02 -1.85 -2.10 112.91 112.66 1ukj h THR 801 Ca 0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.25 1ukj h THR 801 Cb 0.35 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1ukj h THR 801 CO -0.24 0.00 0.00 0.25 0.37 0.00 0.00 175.52 175.90 1ukj h LEU 802 N -0.13 -0.11 -0.55 2.58 6.46 -1.90 -2.60 115.31 119.07 1ukj h LEU 802 Ca 0.18 0.06 0.11 0.00 -0.12 0.00 0.00 57.88 58.11 1ukj h LEU 802 Cb 0.41 0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 40.34 1ukj h LEU 802 CO -0.43 -0.02 -0.13 0.00 -0.62 0.00 0.00 178.44 177.23 1ukj h ALA 803 N 1.24 0.37 0.00 1.25 0.00 -0.55 0.22 119.26 121.78 1ukj h ALA 803 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1ukj h ALA 803 Cb 0.17 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ukj h ALA 803 CO -0.22 -0.43 0.00 0.54 0.00 0.00 0.00 179.25 179.13 1ukj n ARG 804 N -5.38 0.34 0.06 0.00 1.74 -0.85 0.39 116.66 112.95 1ukj n ARG 804 Ca 0.06 0.09 0.08 0.00 -0.77 0.00 0.00 57.85 57.31 1ukj n ARG 804 Cb 0.29 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.17 1ukj n ARG 804 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1ukj n GLN 805 N -1.22 0.62 -0.03 5.56 7.27 0.73 -4.46 117.38 125.85 1ukj n GLN 805 Ca 0.10 0.07 -0.04 0.00 0.07 0.00 0.00 57.00 57.20 1ukj n GLN 805 Cb 0.13 -1.75 -0.05 0.00 2.41 0.00 0.00 30.24 30.97 1ukj n GLN 805 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1ukj n GLN 806 N -2.64 2.42 -3.88 3.69 6.02 -0.83 -5.01 117.38 117.16 1ukj n GLN 806 Ca -0.04 0.01 -0.36 0.00 -0.01 0.00 0.00 57.00 56.60 1ukj n GLN 806 Cb 0.63 -1.17 -0.12 0.00 1.02 0.00 0.00 30.24 30.60 1ukj n GLN 806 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1ukj s MET 807 N -2.16 3.73 0.47 -1.09 -1.94 0.16 -4.47 119.30 114.00 1ukj s MET 807 Ca -0.05 -0.45 0.32 0.00 -1.71 0.00 0.00 55.69 53.80 1ukj s MET 807 Cb 0.02 -3.26 1.47 0.00 2.01 0.00 0.00 34.83 35.08 1ukj s MET 807 CO 0.26 -0.04 1.96 0.66 -0.01 0.00 0.00 175.02 177.84 1ukj h SER 808 N 7.74 0.00 -5.04 3.03 4.64 0.41 -3.40 113.55 120.92 1ukj h SER 808 Ca -0.37 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1ukj h SER 808 Cb 1.18 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.15 1ukj h SER 808 CO 0.61 0.00 0.08 -1.10 -0.87 0.00 0.00 176.83 175.55 1ukj s GLN 809 N -3.67 1.23 0.00 4.77 -0.21 -1.26 -5.06 119.66 115.46 1ukj s GLN 809 Ca 0.00 -0.63 0.13 0.00 0.02 0.00 0.00 55.36 54.89 1ukj s GLN 809 Cb 0.10 0.54 0.79 0.00 1.00 0.00 0.00 33.01 35.43 1ukj s GLN 809 CO 0.43 -0.52 1.22 -2.30 -2.12 0.00 0.00 175.29 172.00 1ukj n PRO 810 N -0.32 0.48 -0.92 2.91 -0.02 -1.26 -4.99 135.00 130.88 1ukj n PRO 810 Ca -0.15 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.45 1ukj n PRO 810 Cb 0.64 -1.44 -0.04 0.00 -0.02 0.00 0.00 33.50 32.64 1ukj n PRO 810 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ukj n GLY 811 N -0.05 -2.20 0.73 -1.23 0.00 -1.26 -4.62 105.19 96.56 1ukj n GLY 811 Ca 0.10 -1.26 0.07 0.00 0.00 0.00 0.00 46.02 44.93 1ukj n GLY 811 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukj n GLY 812 N -3.49 3.63 3.86 -0.02 0.00 -1.26 -4.35 105.19 103.56 1ukj n GLY 812 Ca -0.02 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 1ukj n GLY 812 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ukj s MET 813 N -2.16 3.62 -0.01 1.61 -1.94 -1.26 -2.22 119.30 116.94 1ukj s MET 813 Ca 0.34 0.07 -0.03 0.00 -1.71 0.00 0.00 55.69 54.36 1ukj s MET 813 Cb 0.25 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.90 1ukj s MET 813 CO 0.10 0.74 0.07 -1.50 -0.01 0.00 0.00 175.02 174.41 1ukj s ILE 814 N -1.08 0.04 0.03 2.53 2.07 -0.13 -4.81 121.20 119.86 1ukj s ILE 814 Ca 0.19 -0.33 0.04 0.00 -1.41 0.00 0.00 60.65 59.14 1ukj s ILE 814 Cb -0.14 -0.21 -0.02 0.00 0.13 0.00 0.00 42.46 42.22 1ukj s ILE 814 CO 0.09 -0.18 -0.12 0.00 -1.91 0.00 0.00 174.94 172.81 1ukj s ALA 815 N -0.56 1.00 0.02 1.50 0.00 -0.93 0.86 121.76 123.66 1ukj s ALA 815 Ca -0.06 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 50.94 1ukj s ALA 815 Cb -0.04 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 22.98 1ukj s ALA 815 CO 0.00 0.17 0.46 -0.59 0.00 0.00 0.00 175.76 175.80 1ukj s PHE 816 N -0.86 -0.34 -0.13 0.00 -0.71 -0.15 0.16 117.98 115.95 1ukj s PHE 816 Ca -0.00 0.40 -0.01 0.00 -1.04 0.00 0.00 56.93 56.28 1ukj s PHE 816 Cb -0.08 0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.97 1ukj s PHE 816 CO 0.01 -0.57 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.01 1ukj s GLU 817 N -2.14 3.41 0.14 1.99 2.02 -0.61 -0.01 118.70 123.49 1ukj s GLU 817 Ca -0.07 -0.64 -0.27 0.00 0.02 0.00 0.00 54.97 54.01 1ukj s GLU 817 Cb -0.01 -2.69 -0.07 0.00 0.10 0.00 0.00 34.13 31.45 1ukj s GLU 817 CO 0.00 0.25 0.85 -0.51 0.02 0.00 0.00 175.26 175.87 1ukj s LEU 818 N 0.27 4.55 0.37 1.80 1.43 0.18 -1.42 118.68 125.86 1ukj s LEU 818 Ca -0.08 1.69 0.07 0.00 -1.03 0.00 0.00 54.13 54.78 1ukj s LEU 818 Cb -0.15 -3.41 0.72 0.00 0.03 0.00 0.00 46.19 43.38 1ukj s LEU 818 CO 0.05 0.09 1.93 0.11 0.23 0.00 0.00 176.35 178.76 1ukj h LYS 819 N 4.87 0.42 0.00 1.70 1.57 -1.77 -3.04 116.57 120.33 1ukj h LYS 819 Ca -0.45 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1ukj h LYS 819 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1ukj h LYS 819 CO 0.69 0.45 0.00 0.41 -0.57 0.00 0.00 179.45 180.43 1ukj n GLY 820 N -0.99 -0.71 7.00 3.86 0.00 -1.26 -5.01 105.19 108.07 1ukj n GLY 820 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1ukj n GLY 820 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukj n GLY 821 N 0.38 -0.89 0.34 -0.02 0.00 -1.15 -3.45 105.19 100.40 1ukj n GLY 821 Ca 0.14 -1.19 0.11 0.00 0.00 0.00 0.00 46.02 45.08 1ukj n GLY 821 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ukj h ILE 822 N 0.00 0.72 0.30 -0.61 3.07 -1.62 -1.32 117.51 118.05 1ukj h ILE 822 Ca 0.00 -0.25 -0.00 0.00 1.55 0.00 0.00 64.86 66.16 1ukj h ILE 822 Cb 0.00 -0.08 -0.03 0.00 -0.27 0.00 0.00 36.82 36.44 1ukj h ILE 822 CO 0.00 0.13 -0.49 1.23 -1.05 0.00 0.00 178.15 177.97 1ukj h GLY 823 N 0.73 -1.21 0.06 0.16 0.00 -1.85 0.33 103.07 101.29 1ukj h GLY 823 Ca 0.54 0.61 0.08 0.00 0.00 0.00 0.00 47.33 48.56 1ukj h GLY 823 CO -0.38 -0.32 -0.22 0.00 0.00 0.00 0.00 176.54 175.62 1ukj h ALA 824 N -0.78 0.01 -0.33 3.60 0.00 -1.38 -0.94 119.26 119.44 1ukj h ALA 824 Ca -0.03 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1ukj h ALA 824 Cb 0.77 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1ukj h ALA 824 CO -0.17 -0.60 -0.08 0.78 0.00 0.00 0.00 179.25 179.18 1ukj h GLY 825 N -0.17 0.24 0.76 0.00 0.00 -0.86 0.43 103.07 103.47 1ukj h GLY 825 Ca 0.17 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.66 1ukj h GLY 825 CO -0.45 -0.12 0.39 3.21 0.00 0.00 0.00 176.54 179.56 1ukj h ARG 826 N 0.00 0.71 -0.43 4.80 3.08 0.56 0.12 114.38 123.22 1ukj h ARG 826 Ca 0.16 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 1ukj h ARG 826 Cb 0.24 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1ukj h ARG 826 CO -0.34 0.47 -0.31 0.00 -1.07 0.00 0.00 179.97 178.72 1ukj h ARG 827 N 0.73 0.96 0.60 0.04 3.08 -0.54 -1.68 114.38 117.58 1ukj h ARG 827 Ca 0.28 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1ukj h ARG 827 Cb 0.12 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.17 1ukj h ARG 827 CO -0.15 1.13 -0.29 0.35 -1.07 0.00 0.00 179.97 179.94 1ukj h PHE 828 N 0.81 -0.75 0.15 3.04 3.04 0.42 -2.21 116.94 121.45 1ukj h PHE 828 Ca 0.08 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.03 1ukj h PHE 828 Cb 0.89 0.25 -0.04 0.00 2.56 0.00 0.00 35.95 39.62 1ukj h PHE 828 CO 0.06 -0.45 -0.32 0.52 -2.02 0.00 0.00 178.31 176.10 1ukj h MET 829 N -0.85 -0.54 -0.07 1.11 2.86 -0.81 -2.14 114.93 114.50 1ukj h MET 829 Ca -0.08 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1ukj h MET 829 Cb 0.63 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1ukj h MET 829 CO 0.14 -0.36 0.17 -0.91 1.06 0.00 0.00 176.91 177.01 1ukj h ASN 830 N -0.56 0.00 0.42 1.22 -0.26 -1.30 -0.88 115.58 114.23 1ukj h ASN 830 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1ukj h ASN 830 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1ukj h ASN 830 CO -0.17 0.00 -0.44 0.00 -1.06 0.00 0.00 177.43 175.76 1ukj n ALA 831 N -2.13 3.44 -2.02 -0.83 0.00 -0.82 -4.91 120.51 113.24 1ukj n ALA 831 Ca -0.01 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1ukj n ALA 831 Cb 0.25 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 1ukj n ALA 831 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ukj s LEU 832 N -2.87 4.38 -0.12 0.00 1.43 -0.34 -4.66 118.68 116.50 1ukj s LEU 832 Ca 0.14 2.48 0.02 0.00 -1.03 0.00 0.00 54.13 55.75 1ukj s LEU 832 Cb 0.18 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.72 1ukj s LEU 832 CO 0.65 -0.69 -0.09 0.00 0.23 0.00 0.00 176.35 176.45 1ukj n GLN 833 N 3.45 0.55 -0.03 1.70 1.13 -1.26 -4.77 117.38 118.15 1ukj n GLN 833 Ca 0.10 0.06 -0.20 0.00 -1.94 0.00 0.00 57.00 55.03 1ukj n GLN 833 Cb 0.41 -1.25 -0.13 0.00 0.11 0.00 0.00 30.24 29.38 1ukj n GLN 833 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1ukj n LEU 834 N -2.80 2.64 -4.78 1.08 7.94 -1.26 -4.88 117.00 114.93 1ukj n LEU 834 Ca -0.21 0.13 -0.36 0.00 -1.11 0.00 0.00 56.01 54.46 1ukj n LEU 834 Cb 0.74 -1.01 -0.03 0.00 0.53 0.00 0.00 43.42 43.65 1ukj n LEU 834 CO 0.13 0.86 0.74 -0.36 -1.11 0.00 0.00 177.39 177.65 1ukj s PHE 835 N -2.55 3.14 -0.07 1.96 0.40 -1.26 -4.70 117.98 114.90 1ukj s PHE 835 Ca -0.25 1.61 -0.02 0.00 -0.60 0.00 0.00 56.93 57.67 1ukj s PHE 835 Cb 0.07 -3.15 -0.04 0.00 0.51 0.00 0.00 43.02 40.41 1ukj s PHE 835 CO 0.73 -0.82 0.05 -1.12 0.70 0.00 0.00 175.22 174.76 1ukj s SER 836 N -1.63 5.59 -0.35 1.36 0.01 0.09 -4.88 113.70 113.88 1ukj s SER 836 Ca 0.61 0.21 -0.23 0.00 1.31 0.00 0.00 55.95 57.85 1ukj s SER 836 Cb -0.22 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.39 1ukj s SER 836 CO 0.27 0.35 0.75 -0.13 0.41 0.00 0.00 173.24 174.89 1ukj s ARG 837 N -1.17 3.76 0.00 12.44 0.52 -1.26 -0.04 118.95 133.19 1ukj s ARG 837 Ca 0.16 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.66 1ukj s ARG 837 Cb -0.12 -3.80 0.00 0.00 0.52 0.00 0.00 34.95 31.55 1ukj s ARG 837 CO 0.06 -0.80 0.00 0.00 0.02 0.00 0.00 175.30 174.58 1ukj n ALA 838 N 6.30 0.00 -2.13 2.13 0.00 -1.08 -4.96 120.51 120.77 1ukj n ALA 838 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 1ukj n ALA 838 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 1ukj n ALA 838 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ukj s VAL 839 N -2.00 2.49 0.00 0.00 -7.23 -1.26 -4.23 120.40 108.17 1ukj s VAL 839 Ca 0.00 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1ukj s VAL 839 Cb 0.00 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1ukj s VAL 839 CO 0.00 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.55 1ukj n SER 840 N -1.85 0.00 -3.71 4.85 2.88 -1.26 -5.04 113.62 109.48 1ukj n SER 840 Ca 0.07 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1ukj n SER 840 Cb 0.61 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 1ukj n SER 840 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1ukj s LEU 841 N -1.00 -0.19 0.00 2.46 2.34 -1.26 -4.90 118.68 116.13 1ukj s LEU 841 Ca 0.00 -0.34 0.00 0.00 0.06 0.00 0.00 54.13 53.85 1ukj s LEU 841 Cb 0.00 2.08 0.00 0.00 -0.56 0.00 0.00 46.19 47.71 1ukj s LEU 841 CO 0.00 -0.82 0.00 0.61 -1.06 0.00 0.00 176.35 175.08 1ukj n GLY 842 N -0.44 0.73 3.83 -3.48 0.00 -1.26 -4.16 105.19 100.41 1ukj n GLY 842 Ca -0.07 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 1ukj n GLY 842 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ukj s ASP 843 N -2.50 5.56 0.63 1.61 1.01 -1.26 -3.88 116.67 117.84 1ukj s ASP 843 Ca 0.00 -0.25 0.41 0.00 0.71 0.00 0.00 52.55 53.43 1ukj s ASP 843 Cb 0.00 -1.41 2.12 0.00 1.01 0.00 0.00 42.92 44.65 1ukj s ASP 843 CO 0.00 -0.06 2.27 0.00 0.21 0.00 0.00 175.17 177.59 1ukj h ALA 844 N 1.46 1.02 -2.71 5.23 0.00 -1.80 -3.41 119.26 119.05 1ukj h ALA 844 Ca -0.48 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 1ukj h ALA 844 Cb 1.24 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1ukj h ALA 844 CO 0.61 0.00 -0.03 -1.21 0.00 0.00 0.00 179.25 178.62 1ukj s GLU 845 N -4.04 4.23 -0.20 0.00 8.01 -1.26 -1.27 118.70 124.17 1ukj s GLU 845 Ca -0.03 0.73 -0.28 0.00 0.01 0.00 0.00 54.97 55.40 1ukj s GLU 845 Cb 0.12 -3.26 -0.00 0.00 -4.31 0.00 0.00 34.13 26.68 1ukj s GLU 845 CO 0.45 0.58 0.96 -1.12 0.01 0.00 0.00 175.26 176.14 1ukj s SER 846 N -0.89 7.05 -0.07 -0.19 0.01 -1.26 -4.36 113.70 113.98 1ukj s SER 846 Ca 0.29 1.30 0.01 0.00 1.31 0.00 0.00 55.95 58.87 1ukj s SER 846 Cb -0.19 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1ukj s SER 846 CO 0.18 -0.56 -0.08 -0.76 0.41 0.00 0.00 173.24 172.44 1ukj s LEU 847 N 2.77 3.11 -0.01 2.44 1.43 -0.78 -0.73 118.68 126.92 1ukj s LEU 847 Ca 0.42 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1ukj s LEU 847 Cb -0.16 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 1ukj s LEU 847 CO 0.09 0.35 -0.06 0.00 0.23 0.00 0.00 176.35 176.95 1ukj s ALA 848 N -0.71 0.57 0.04 4.21 0.00 0.94 -0.01 121.76 126.81 1ukj s ALA 848 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1ukj s ALA 848 Cb -0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1ukj s ALA 848 CO 0.02 0.12 -0.04 1.14 0.00 0.00 0.00 175.76 176.99 1ukj s GLN 849 N -0.02 0.46 -0.41 0.00 -2.07 -0.73 -2.63 119.66 114.25 1ukj s GLN 849 Ca 0.01 -0.81 0.01 0.00 -1.82 0.00 0.00 55.36 52.75 1ukj s GLN 849 Cb -0.04 0.00 0.14 0.00 -1.09 0.00 0.00 33.01 32.01 1ukj s GLN 849 CO -0.00 -0.03 0.22 -1.58 -1.32 0.00 0.00 175.29 172.58 1ukj s HIS 850 N -2.04 1.61 0.17 9.60 5.65 -1.26 -1.67 115.29 127.35 1ukj s HIS 850 Ca -0.08 -2.17 -0.26 0.00 0.25 0.00 0.00 55.06 52.80 1ukj s HIS 850 Cb -0.06 -1.60 0.02 0.00 -1.18 0.00 0.00 32.58 29.76 1ukj s HIS 850 CO -0.02 -0.80 1.56 -1.35 -0.65 0.00 0.00 174.74 173.48 1ukj h PRO 851 N 6.87 -0.20 0.00 2.88 0.11 -1.94 -1.32 132.00 138.41 1ukj h PRO 851 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1ukj h PRO 851 Cb 0.94 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ukj h PRO 851 CO 0.42 -0.13 0.55 0.00 -0.21 0.00 0.00 178.00 178.63 1ukj h ALA 852 N 0.58 1.48 0.00 -0.75 0.00 -1.82 0.03 119.26 118.79 1ukj h ALA 852 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ukj h ALA 852 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ukj h ALA 852 CO -0.73 -0.48 0.00 -1.13 0.00 0.00 0.00 179.25 176.91 1ukj n SER 853 N -2.38 0.88 0.00 0.00 3.41 -0.59 -4.13 113.62 110.81 1ukj n SER 853 Ca -0.01 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1ukj n SER 853 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1ukj n SER 853 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1ukj n MET 854 N -0.10 0.00 0.15 4.33 2.81 -0.06 -4.72 117.12 119.53 1ukj n MET 854 Ca 0.00 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.75 1ukj n MET 854 Cb 0.16 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.60 1ukj n MET 854 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1ukj h THR 855 N 0.00 0.32 -0.78 2.03 1.35 -1.78 -2.73 112.91 111.32 1ukj h THR 855 Ca 0.00 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.45 1ukj h THR 855 Cb 0.00 0.32 -0.24 0.00 -1.73 0.00 0.00 68.15 66.50 1ukj h THR 855 CO 0.00 0.00 0.52 1.41 -0.25 0.00 0.00 175.52 177.20 1ukj n HIS 856 N -5.42 2.42 0.11 4.73 8.25 -0.87 -4.39 115.22 120.05 1ukj n HIS 856 Ca -0.08 -1.60 -0.03 0.00 -0.26 0.00 0.00 57.72 55.75 1ukj n HIS 856 Cb 0.33 -0.82 0.16 0.00 1.12 0.00 0.00 29.99 30.78 1ukj n HIS 856 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ukj h SER 857 N 0.83 0.13 0.21 0.41 0.87 -1.35 -2.57 113.55 112.08 1ukj h SER 857 Ca 0.50 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1ukj h SER 857 Cb 2.41 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 64.33 1ukj h SER 857 CO 0.89 0.70 0.00 -1.54 -0.53 0.00 0.00 176.83 176.34 1ukj n SER 858 N -3.85 0.00 -2.70 6.23 3.41 -1.26 -4.61 113.62 110.83 1ukj n SER 858 Ca -0.02 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1ukj n SER 858 Cb 0.61 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1ukj n SER 858 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ukj n TYR 859 N -1.48 0.00 -3.59 7.33 0.53 -0.97 -5.13 117.16 113.85 1ukj n TYR 859 Ca 0.02 0.00 -0.11 0.00 -1.02 0.00 0.00 57.90 56.79 1ukj n TYR 859 Cb 0.07 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.36 1ukj n TYR 859 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1ukj s THR 860 N 0.24 0.02 -0.59 -0.72 -4.23 -1.26 -4.98 115.64 104.12 1ukj s THR 860 Ca 0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1ukj s THR 860 Cb 0.00 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1ukj s THR 860 CO 0.00 -0.08 0.37 -2.65 -0.54 0.00 0.00 174.62 171.72 1ukj n PRO 861 N -0.35 0.00 0.00 3.99 -0.02 -1.26 -3.29 135.00 134.07 1ukj n PRO 861 Ca -0.14 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1ukj n PRO 861 Cb 0.63 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1ukj n PRO 861 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ukj n GLU 862 N -0.87 0.00 0.23 -0.52 0.28 -1.26 -2.94 120.64 115.56 1ukj n GLU 862 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 1ukj n GLU 862 Cb 0.12 -0.27 0.48 0.00 1.43 0.00 0.00 31.44 33.20 1ukj n GLU 862 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1ukj h GLU 863 N 0.00 0.00 -0.28 3.44 4.81 -1.97 -2.29 114.58 118.30 1ukj h GLU 863 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1ukj h GLU 863 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1ukj h GLU 863 CO 0.00 0.20 0.45 -0.09 -0.73 0.00 0.00 179.01 178.85 1ukj h ARG 864 N 0.00 0.00 0.05 1.92 2.43 -1.67 1.55 114.38 118.66 1ukj h ARG 864 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 1ukj h ARG 864 Cb 0.72 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1ukj h ARG 864 CO 0.03 0.00 -1.68 0.00 -1.51 0.00 0.00 179.97 176.81 1ukj n ALA 865 N -2.15 0.87 0.29 2.80 0.00 -0.88 0.19 120.51 121.63 1ukj n ALA 865 Ca 0.04 -0.59 0.18 0.00 0.00 0.00 0.00 53.44 53.08 1ukj n ALA 865 Cb 0.58 -0.55 0.97 0.00 0.00 0.00 0.00 19.45 20.45 1ukj n ALA 865 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ukj h HIS 866 N -0.54 0.00 -0.02 0.00 -0.00 0.37 -0.07 115.15 114.90 1ukj h HIS 866 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 1ukj h HIS 866 Cb 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.05 1ukj h HIS 866 CO 0.08 0.00 -0.22 0.98 -0.00 0.00 0.00 177.93 178.76 1ukj n TYR 867 N -3.53 0.00 -0.87 5.26 4.19 0.47 -4.95 117.16 117.73 1ukj n TYR 867 Ca -0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.19 1ukj n TYR 867 Cb 0.17 -0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.00 1ukj n TYR 867 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1ukj n GLY 868 N 1.38 0.60 3.46 2.98 0.00 -0.04 -4.87 105.19 108.70 1ukj n GLY 868 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1ukj n GLY 868 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ukj s ILE 869 N -2.17 4.60 0.83 -0.61 -4.36 0.13 -4.91 121.20 114.71 1ukj s ILE 869 Ca 0.00 -1.35 -0.13 0.00 -0.26 0.00 0.00 60.65 58.91 1ukj s ILE 869 Cb 0.00 -4.79 0.05 0.00 1.25 0.00 0.00 42.46 38.97 1ukj s ILE 869 CO 0.00 -1.54 0.88 -0.24 0.24 0.00 0.00 174.94 174.28 1ukj n SER 870 N 6.91 -0.19 0.13 4.36 2.88 -1.26 -4.30 113.62 122.16 1ukj n SER 870 Ca 0.21 0.52 0.12 0.00 -1.33 0.00 0.00 58.87 58.39 1ukj n SER 870 Cb 0.49 -1.38 0.49 0.00 -0.75 0.00 0.00 64.21 63.06 1ukj n SER 870 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ukj n GLU 871 N -2.47 0.20 -0.12 -1.46 -0.58 -1.26 -2.47 120.64 112.48 1ukj n GLU 871 Ca 0.11 0.41 0.05 0.00 -0.42 0.00 0.00 57.16 57.31 1ukj n GLU 871 Cb 0.51 -1.87 0.12 0.00 -0.57 0.00 0.00 31.44 29.63 1ukj n GLU 871 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ukj n GLY 872 N 0.12 2.00 3.69 0.62 0.00 -1.26 -1.48 105.19 108.87 1ukj n GLY 872 Ca 0.02 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1ukj n GLY 872 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ukj s LEU 873 N -0.97 4.34 -0.08 0.99 2.96 -1.03 0.47 118.68 125.36 1ukj s LEU 873 Ca 0.19 2.31 0.01 0.00 -0.22 0.00 0.00 54.13 56.42 1ukj s LEU 873 Cb 0.11 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.26 1ukj s LEU 873 CO 0.14 -0.83 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.55 1ukj s VAL 874 N 2.72 1.08 -0.14 1.68 1.01 0.98 -4.21 120.40 123.52 1ukj s VAL 874 Ca 0.70 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1ukj s VAL 874 Cb -0.36 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1ukj s VAL 874 CO 0.30 0.35 0.00 -0.60 0.00 0.00 0.00 175.10 175.15 1ukj s ARG 875 N 0.98 3.55 -0.08 2.72 3.52 -0.67 -0.98 118.95 128.00 1ukj s ARG 875 Ca -0.09 -0.44 0.05 0.00 -0.13 0.00 0.00 55.73 55.12 1ukj s ARG 875 Cb -0.15 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1ukj s ARG 875 CO -0.00 0.39 -0.23 -0.51 -0.81 0.00 0.00 175.30 174.14 1ukj s LEU 876 N -0.02 2.18 -0.63 -0.88 1.43 0.25 -1.78 118.68 119.23 1ukj s LEU 876 Ca 0.03 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1ukj s LEU 876 Cb -0.13 -1.42 0.16 0.00 0.03 0.00 0.00 46.19 44.84 1ukj s LEU 876 CO 0.02 0.22 0.46 -0.55 0.23 0.00 0.00 176.35 176.73 1ukj s SER 877 N -0.02 5.44 -0.02 2.29 0.15 0.99 -0.95 113.70 121.58 1ukj s SER 877 Ca -0.07 -2.75 -0.30 0.00 0.70 0.00 0.00 55.95 53.53 1ukj s SER 877 Cb -0.15 -1.90 -0.07 0.00 -1.71 0.00 0.00 66.02 62.19 1ukj s SER 877 CO 0.05 -0.42 1.73 -0.69 1.20 0.00 0.00 173.24 175.12 1ukj s VAL 878 N 0.09 3.38 0.00 4.45 1.01 -0.94 -1.86 120.40 126.53 1ukj s VAL 878 Ca 0.16 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1ukj s VAL 878 Cb -0.19 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1ukj s VAL 878 CO -0.04 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1ukj n GLY 879 N 4.22 -0.81 0.93 4.51 0.00 -1.26 -4.80 105.19 107.98 1ukj n GLY 879 Ca 0.18 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.67 1ukj n GLY 879 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ukj n LEU 880 N 0.00 3.06 -4.23 0.99 4.77 -0.39 -4.66 117.00 116.54 1ukj n LEU 880 Ca 0.00 -1.41 -0.27 0.00 -0.03 0.00 0.00 56.01 54.30 1ukj n LEU 880 Cb 0.00 -0.17 0.22 0.00 -2.33 0.00 0.00 43.42 41.14 1ukj n LEU 880 CO 0.00 0.64 0.07 -0.62 -1.33 0.00 0.00 177.39 176.16 1ukj n GLU 881 N 1.19 -2.96 -2.12 3.23 4.71 -1.26 -4.84 120.64 118.59 1ukj n GLU 881 Ca 0.15 -0.86 -0.42 0.00 -0.01 0.00 0.00 57.16 56.01 1ukj n GLU 881 Cb 0.52 -1.80 -0.03 0.00 -1.01 0.00 0.00 31.44 29.13 1ukj n GLU 881 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ukj s ASP 882 N -2.34 6.75 0.38 1.62 -1.08 -1.26 -4.89 116.67 115.85 1ukj s ASP 882 Ca 0.57 2.13 0.13 0.00 -0.52 0.00 0.00 52.55 54.85 1ukj s ASP 882 Cb -0.13 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.72 1ukj s ASP 882 CO 0.55 -0.85 1.85 -0.29 0.52 0.00 0.00 175.17 176.95 1ukj h ILE 883 N 5.36 0.74 -0.86 4.11 6.09 -1.97 0.32 117.51 131.31 1ukj h ILE 883 Ca -0.37 -0.19 0.09 0.00 -1.37 0.00 0.00 64.86 63.02 1ukj h ILE 883 Cb 1.17 0.12 -0.07 0.00 0.47 0.00 0.00 36.82 38.51 1ukj h ILE 883 CO 0.94 0.10 0.50 0.44 -3.07 0.00 0.00 178.15 177.07 1ukj h ASP 884 N 0.57 0.73 -0.30 2.19 3.45 -2.00 -1.13 116.42 119.92 1ukj h ASP 884 Ca 0.48 0.04 -0.14 0.00 0.43 0.00 0.00 57.03 57.84 1ukj h ASP 884 Cb 0.97 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.63 1ukj h ASP 884 CO -0.22 0.42 -0.37 0.44 -1.57 0.00 0.00 179.24 177.94 1ukj h ASP 885 N 0.85 0.85 -0.33 6.45 3.32 -0.78 -3.11 116.42 123.67 1ukj h ASP 885 Ca 0.41 -0.49 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1ukj h ASP 885 Cb 0.35 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1ukj h ASP 885 CO -0.24 1.17 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.28 1ukj h LEU 886 N 0.55 0.74 -0.91 1.55 3.38 -0.71 -2.99 115.31 116.91 1ukj h LEU 886 Ca 0.04 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1ukj h LEU 886 Cb 0.96 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1ukj h LEU 886 CO 0.09 0.87 0.03 -0.07 0.09 0.00 0.00 178.44 179.45 1ukj h LEU 887 N 0.68 0.79 -1.23 1.67 4.07 -1.25 -1.88 115.31 118.16 1ukj h LEU 887 Ca 0.12 -0.18 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 1ukj h LEU 887 Cb 0.57 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1ukj h LEU 887 CO 0.04 0.84 -0.38 0.00 -1.08 0.00 0.00 178.44 177.86 1ukj h ALA 888 N 1.25 1.29 -0.01 1.53 0.00 -1.45 0.36 119.26 122.23 1ukj h ALA 888 Ca 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ukj h ALA 888 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ukj h ALA 888 CO 0.02 0.47 -0.08 0.22 0.00 0.00 0.00 179.25 179.88 1ukj h ASP 889 N 0.00 0.09 -0.23 0.00 3.58 -1.33 -0.26 116.42 118.28 1ukj h ASP 889 Ca -0.00 -0.67 -0.02 0.00 0.42 0.00 0.00 57.03 56.75 1ukj h ASP 889 Cb 0.70 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 1ukj h ASP 889 CO 0.05 0.75 0.07 0.58 -2.88 0.00 0.00 179.24 177.81 1ukj h VAL 890 N -0.56 1.20 0.10 2.25 2.07 -1.24 0.23 116.25 120.30 1ukj h VAL 890 Ca -0.01 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1ukj h VAL 890 Cb 0.75 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1ukj h VAL 890 CO 0.02 0.20 -0.16 -0.61 0.02 0.00 0.00 177.57 177.03 1ukj h GLN 891 N 0.20 -0.31 0.04 1.57 4.15 -0.33 0.30 115.11 120.73 1ukj h GLN 891 Ca 0.07 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1ukj h GLN 891 Cb 0.24 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 1ukj h GLN 891 CO -0.00 -0.20 -0.04 0.37 -1.93 0.00 0.00 178.83 177.02 1ukj h GLN 892 N -0.32 -0.09 -0.28 1.69 -0.00 -0.95 -2.11 115.11 113.05 1ukj h GLN 892 Ca 0.02 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.70 1ukj h GLN 892 Cb 0.33 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.82 1ukj h GLN 892 CO -0.08 -0.06 0.19 0.00 0.00 0.00 0.00 178.83 178.88 1ukj h ALA 893 N 0.87 1.90 -0.02 3.38 0.00 -0.33 -2.11 119.26 122.94 1ukj h ALA 893 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ukj h ALA 893 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ukj h ALA 893 CO -0.01 0.07 0.01 1.25 0.00 0.00 0.00 179.25 180.56 1ukj h LEU 894 N 0.30 0.03 -1.83 0.00 5.85 0.23 -1.95 115.31 117.93 1ukj h LEU 894 Ca 0.11 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1ukj h LEU 894 Cb 0.09 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1ukj h LEU 894 CO -0.02 0.24 0.17 0.11 -0.34 0.00 0.00 178.44 178.59 1ukj h LYS 895 N -0.18 0.21 0.00 1.25 1.79 -0.79 -0.84 116.57 118.02 1ukj h LYS 895 Ca 0.01 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1ukj h LYS 895 Cb 0.22 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1ukj h LYS 895 CO -0.00 0.14 -0.39 0.00 -1.08 0.00 0.00 179.45 178.12 1ukj h ALA 896 N 1.86 0.79 -0.07 3.86 0.00 -1.21 -3.15 119.26 121.34 1ukj h ALA 896 Ca 0.10 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ukj h ALA 896 Cb 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ukj h ALA 896 CO -0.02 0.49 0.09 0.66 0.00 0.00 0.00 179.25 180.47 1ukj h SER 897 N 0.00 0.00 0.00 0.00 4.64 -0.35 -3.43 113.55 114.41 1ukj h SER 897 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ukj h SER 897 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ukj h SER 897 CO 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01