#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hdk s SER 504 N 0.00 -0.37 0.64 -3.46 0.15 -1.26 -4.57 113.70 104.83 2hdk s SER 504 Ca 0.00 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.22 2hdk s SER 504 Cb 0.00 0.66 0.04 0.00 -1.71 0.00 0.00 66.02 65.01 2hdk s SER 504 CO 0.00 -1.18 0.94 0.72 1.20 0.00 0.00 173.24 174.93 2hdk s PHE 505 N -3.85 3.02 -0.03 3.44 -0.12 -1.26 -4.89 117.98 114.29 2hdk s PHE 505 Ca 0.07 0.45 0.03 0.00 -0.05 0.00 0.00 56.93 57.43 2hdk s PHE 505 Cb -0.04 -2.98 0.00 0.00 -0.63 0.00 0.00 43.02 39.38 2hdk s PHE 505 CO -0.01 -1.14 -0.11 0.15 -0.05 0.00 0.00 175.22 174.06 2hdk s LYS 506 N -5.09 1.10 0.53 1.99 -0.14 -1.26 -4.77 119.74 112.10 2hdk s LYS 506 Ca 0.57 -0.38 0.34 0.00 -1.36 0.00 0.00 55.97 55.15 2hdk s LYS 506 Cb -0.11 -1.02 1.59 0.00 -1.68 0.00 0.00 37.83 36.62 2hdk s LYS 506 CO 0.44 0.16 2.03 0.00 -0.76 0.00 0.00 175.35 177.22 2hdk h ALA 507 N 6.27 1.00 0.00 5.17 0.00 -1.97 -1.25 119.26 128.48 2hdk h ALA 507 Ca -0.33 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2hdk h ALA 507 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2hdk h ALA 507 CO 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.61 2hdk h ALA 508 N 2.04 1.01 -0.22 0.00 0.00 -1.96 -1.51 119.26 118.62 2hdk h ALA 508 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hdk h ALA 508 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2hdk h ALA 508 CO 0.00 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 2hdk n ASP 509 N -3.25 1.58 -4.71 0.00 8.00 -0.47 -4.95 116.55 112.75 2hdk n ASP 509 Ca 0.01 -1.80 -0.42 0.00 0.71 0.00 0.00 54.79 53.28 2hdk n ASP 509 Cb 0.39 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 2hdk n ASP 509 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2hdk s LEU 510 N -1.35 4.38 -0.21 0.64 2.96 -0.57 -4.50 118.68 120.03 2hdk s LEU 510 Ca 0.28 2.73 -0.10 0.00 -0.22 0.00 0.00 54.13 56.82 2hdk s LEU 510 Cb 0.15 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 2hdk s LEU 510 CO 0.21 -0.94 0.13 -1.58 -1.32 0.00 0.00 176.35 172.85 2hdk s GLN 511 N 1.87 4.14 -0.13 1.98 0.74 -0.64 -5.03 119.66 122.59 2hdk s GLN 511 Ca 0.76 -0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.93 2hdk s GLN 511 Cb -0.46 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.20 2hdk s GLN 511 CO 0.33 0.24 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.66 2hdk s LEU 512 N 0.54 2.64 -0.30 3.68 1.43 -1.26 -1.20 118.68 124.21 2hdk s LEU 512 Ca 0.08 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2hdk s LEU 512 Cb -0.12 -1.59 0.10 0.00 0.03 0.00 0.00 46.19 44.61 2hdk s LEU 512 CO -0.00 0.15 0.10 -1.61 0.23 0.00 0.00 176.35 175.22 2hdk s GLU 513 N 0.46 0.60 0.45 1.70 2.02 -0.31 -4.98 118.70 118.64 2hdk s GLU 513 Ca -0.10 -0.95 -0.23 0.00 0.02 0.00 0.00 54.97 53.71 2hdk s GLU 513 Cb -0.16 -1.82 -0.08 0.00 0.10 0.00 0.00 34.13 32.18 2hdk s GLU 513 CO 0.05 -0.99 1.16 -1.64 0.02 0.00 0.00 175.26 173.86 2hdk s MET 514 N 1.72 3.82 0.57 1.61 -1.94 -1.26 -3.90 119.30 119.92 2hdk s MET 514 Ca 0.09 1.78 -0.20 0.00 -1.71 0.00 0.00 55.69 55.66 2hdk s MET 514 Cb -0.17 -2.45 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 2hdk s MET 514 CO -0.27 -0.50 1.24 -0.08 -0.01 0.00 0.00 175.02 175.39 2hdk s THR 515 N -1.53 2.54 -0.09 2.05 -1.32 -1.26 -4.87 115.64 111.16 2hdk s THR 515 Ca 0.62 0.35 -0.03 0.00 -1.21 0.00 0.00 61.69 61.43 2hdk s THR 515 Cb -0.29 -3.15 -0.01 0.00 -1.51 0.00 0.00 72.50 67.54 2hdk s THR 515 CO 0.35 -0.05 -0.06 1.56 -2.21 0.00 0.00 174.62 174.21 2hdk h GLN 516 N 1.10 0.00 -4.21 7.08 7.50 -1.99 -3.45 115.11 121.14 2hdk h GLN 516 Ca -0.50 0.00 -0.74 0.00 0.50 0.00 0.00 58.65 57.91 2hdk h GLN 516 Cb 1.30 0.00 -0.27 0.00 0.05 0.00 0.00 27.48 28.55 2hdk h GLN 516 CO 0.56 0.00 -0.32 -1.59 -1.50 0.00 0.00 178.83 175.98 2hdk s LYS 517 N -1.64 2.69 0.43 1.46 -2.85 -1.26 -5.10 119.74 113.47 2hdk s LYS 517 Ca -0.05 -1.76 -0.24 0.00 -1.00 0.00 0.00 55.97 52.92 2hdk s LYS 517 Cb 0.01 -4.07 -0.08 0.00 -2.06 0.00 0.00 37.83 31.62 2hdk s LYS 517 CO 0.07 -1.25 1.12 -2.14 0.10 0.00 0.00 175.35 173.26 2hdk s PRO 518 N 1.42 3.95 0.62 1.78 0.02 -1.26 -5.06 135.00 136.46 2hdk s PRO 518 Ca 0.05 1.69 -0.05 0.00 0.02 0.00 0.00 61.00 62.71 2hdk s PRO 518 Cb -0.27 -2.50 0.03 0.00 0.02 0.00 0.00 34.50 31.78 2hdk s PRO 518 CO 0.01 -0.37 0.91 -1.01 -0.33 0.00 0.00 177.00 176.21 2hdk s HIS 519 N -1.57 3.12 -0.32 6.54 3.76 -1.26 -5.05 115.29 120.51 2hdk s HIS 519 Ca 0.60 0.51 -0.24 0.00 -0.15 0.00 0.00 55.06 55.78 2hdk s HIS 519 Cb -0.27 -2.86 0.01 0.00 1.11 0.00 0.00 32.58 30.57 2hdk s HIS 519 CO 0.33 -0.98 0.85 0.21 -0.85 0.00 0.00 174.74 174.29 2hdk s LYS 520 N -5.03 3.94 0.24 1.40 2.20 -1.26 -5.04 119.74 116.20 2hdk s LYS 520 Ca 0.56 0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 56.50 2hdk s LYS 520 Cb -0.11 -3.75 -0.10 0.00 -1.51 0.00 0.00 37.83 32.37 2hdk s LYS 520 CO 0.44 -0.76 1.36 0.15 -0.36 0.00 0.00 175.35 176.18 2hdk s LYS 521 N 3.13 4.34 0.51 4.03 1.02 -1.26 -4.98 119.74 126.53 2hdk s LYS 521 Ca 0.35 2.17 -0.20 0.00 0.02 0.00 0.00 55.97 58.31 2hdk s LYS 521 Cb -0.13 -3.14 -0.07 0.00 -0.52 0.00 0.00 37.83 33.96 2hdk s LYS 521 CO 0.14 -0.30 1.09 -1.25 -0.92 0.00 0.00 175.35 174.11 2hdk s PRO 522 N -0.51 3.58 0.32 -1.68 0.04 -1.26 -5.04 135.00 130.45 2hdk s PRO 522 Ca 0.56 1.50 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2hdk s PRO 522 Cb -0.39 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 2hdk s PRO 522 CO 0.43 -0.64 0.48 0.20 0.04 0.00 0.00 177.00 177.51 2hdk s GLY 523 N -1.85 1.39 1.00 0.56 0.00 -1.26 -5.05 107.32 102.11 2hdk s GLY 523 Ca 0.70 -1.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.12 2hdk s GLY 523 CO 0.24 -1.12 1.08 2.56 0.00 0.00 0.00 173.10 175.85 2hdk s PRO 524 N -4.20 0.35 0.00 2.90 0.04 -1.26 -2.70 135.00 130.13 2hdk s PRO 524 Ca 0.40 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2hdk s PRO 524 Cb -0.09 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2hdk s PRO 524 CO 0.33 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.87 2hdk n GLY 525 N -0.10 2.04 3.46 0.56 0.00 -1.26 -4.96 105.19 104.92 2hdk n GLY 525 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2hdk n GLY 525 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hdk s GLU 526 N -0.31 3.66 -0.24 1.61 2.12 -1.10 -5.07 118.70 119.37 2hdk s GLU 526 Ca 0.00 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 2hdk s GLU 526 Cb 0.00 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 2hdk s GLU 526 CO 0.00 -0.05 1.62 -1.25 -0.54 0.00 0.00 175.26 175.04 2hdk s PRO 527 N 1.21 3.75 -0.80 4.30 0.04 -1.26 -4.92 135.00 137.31 2hdk s PRO 527 Ca 0.04 1.60 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 2hdk s PRO 527 Cb -0.14 -4.05 0.02 0.00 0.04 0.00 0.00 34.50 30.37 2hdk s PRO 527 CO 0.02 -1.35 1.47 -0.51 0.04 0.00 0.00 177.00 176.67 2hdk s LEU 528 N 5.35 3.27 0.09 -3.56 1.43 -1.26 -5.02 118.68 118.98 2hdk s LEU 528 Ca 0.71 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 2hdk s LEU 528 Cb -0.24 -2.56 -0.06 0.00 0.03 0.00 0.00 46.19 43.36 2hdk s LEU 528 CO 0.30 -1.92 1.19 -0.69 0.23 0.00 0.00 176.35 175.45 2hdk s VAL 529 N 6.46 3.96 0.07 -1.59 1.01 -1.26 -3.78 120.40 125.26 2hdk s VAL 529 Ca 0.46 1.46 -0.36 0.00 0.00 0.00 0.00 61.98 63.54 2hdk s VAL 529 Cb -0.07 -3.93 -0.16 0.00 0.00 0.00 0.00 36.38 32.23 2hdk s VAL 529 CO 0.08 0.14 1.47 0.33 0.00 0.00 0.00 175.10 177.12 2hdk n PHE 530 N 3.59 1.82 -4.03 5.22 7.35 -1.26 -3.04 117.46 127.11 2hdk n PHE 530 Ca 0.08 0.49 -0.31 0.00 -0.76 0.00 0.00 57.45 56.95 2hdk n PHE 530 Cb 0.46 -2.42 -0.01 0.00 0.35 0.00 0.00 39.48 37.86 2hdk n PHE 530 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hdk n GLY 531 N 3.01 -0.39 0.00 7.13 0.00 -1.26 -4.90 105.19 108.78 2hdk n GLY 531 Ca 0.19 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2hdk n GLY 531 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hdk n LYS 532 N -4.47 1.79 -4.48 1.61 4.76 -1.17 -5.03 118.16 111.18 2hdk n LYS 532 Ca -0.07 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.04 2hdk n LYS 532 Cb 0.57 -0.96 -0.14 0.00 -1.84 0.00 0.00 35.03 32.66 2hdk n LYS 532 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2hdk s THR 533 N -1.87 3.10 0.17 -0.18 2.01 -1.26 -5.12 115.64 112.49 2hdk s THR 533 Ca 0.00 -0.62 0.09 0.00 0.31 0.00 0.00 61.69 61.46 2hdk s THR 533 Cb 0.00 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2hdk s THR 533 CO 0.00 0.50 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.98 2hdk s PHE 534 N 0.72 2.67 0.28 4.92 0.40 -1.26 -3.87 117.98 121.83 2hdk s PHE 534 Ca -0.05 -0.21 -0.05 0.00 -0.60 0.00 0.00 56.93 56.03 2hdk s PHE 534 Cb -0.15 -1.31 0.07 0.00 0.51 0.00 0.00 43.02 42.13 2hdk s PHE 534 CO 0.02 0.50 0.33 0.25 0.70 0.00 0.00 175.22 177.02 2hdk n THR 535 N 0.09 0.00 0.11 0.64 -2.24 -0.87 -5.00 114.28 107.01 2hdk n THR 535 Ca -0.11 -0.22 -0.18 0.00 -2.27 0.00 0.00 64.05 61.27 2hdk n THR 535 Cb 0.55 -1.64 -0.14 0.00 -2.10 0.00 0.00 70.33 67.00 2hdk n THR 535 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2hdk h ASP 536 N -0.75 0.53 -1.81 3.42 3.32 -1.95 -3.44 116.42 115.74 2hdk h ASP 536 Ca -0.11 -0.58 -0.58 0.00 0.02 0.00 0.00 57.03 55.78 2hdk h ASP 536 Cb 0.32 -0.17 -0.10 0.00 0.22 0.00 0.00 39.33 39.60 2hdk h ASP 536 CO 0.08 1.46 -0.57 -1.00 -1.72 0.00 0.00 179.24 177.48 2hdk s HIS 537 N -2.64 2.59 0.03 4.55 3.76 -1.26 -0.86 115.29 121.47 2hdk s HIS 537 Ca -0.06 -0.48 -0.07 0.00 -0.15 0.00 0.00 55.06 54.30 2hdk s HIS 537 Cb 0.06 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 2hdk s HIS 537 CO 0.90 0.37 0.12 0.00 -0.85 0.00 0.00 174.74 175.28 2hdk s MET 538 N -3.79 0.60 -0.02 1.40 0.23 -0.55 -4.60 119.30 112.57 2hdk s MET 538 Ca 0.37 -0.69 -0.10 0.00 -1.03 0.00 0.00 55.69 54.24 2hdk s MET 538 Cb 0.01 0.24 -0.05 0.00 -1.53 0.00 0.00 34.83 33.50 2hdk s MET 538 CO 0.21 -0.16 0.30 -1.17 -2.03 0.00 0.00 175.02 172.17 2hdk s LEU 539 N -2.04 4.41 -0.09 0.18 2.96 -0.82 -2.39 118.68 120.89 2hdk s LEU 539 Ca -0.06 0.71 -0.04 0.00 -0.22 0.00 0.00 54.13 54.52 2hdk s LEU 539 Cb -0.02 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.21 2hdk s LEU 539 CO -0.04 0.31 0.20 -0.32 -1.32 0.00 0.00 176.35 175.19 2hdk s MET 540 N -1.33 0.14 -0.03 1.98 -2.45 -0.03 -2.09 119.30 115.48 2hdk s MET 540 Ca 0.23 0.51 -0.01 0.00 -1.25 0.00 0.00 55.69 55.17 2hdk s MET 540 Cb -0.14 -0.15 0.03 0.00 1.25 0.00 0.00 34.83 35.82 2hdk s MET 540 CO 0.12 -0.20 0.05 0.08 1.05 0.00 0.00 175.02 176.12 2hdk s VAL 541 N 1.50 -0.07 0.02 10.11 1.01 0.72 -1.33 120.40 132.36 2hdk s VAL 541 Ca -0.06 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2hdk s VAL 541 Cb -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 2hdk s VAL 541 CO -0.07 0.11 0.10 -1.61 0.00 0.00 0.00 175.10 173.62 2hdk s GLU 542 N 1.33 3.07 0.04 2.72 2.02 -1.26 -0.42 118.70 126.19 2hdk s GLU 542 Ca -0.06 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 54.44 2hdk s GLU 542 Cb -0.13 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.23 2hdk s GLU 542 CO -0.03 0.63 -0.10 -0.46 0.02 0.00 0.00 175.26 175.31 2hdk s TRP 543 N -1.28 0.90 0.34 1.61 -0.00 -0.43 -0.29 118.94 119.79 2hdk s TRP 543 Ca 0.26 -0.37 0.00 0.00 -0.00 0.00 0.00 56.10 55.99 2hdk s TRP 543 Cb -0.12 -0.54 -0.01 0.00 -0.00 0.00 0.00 33.47 32.81 2hdk s TRP 543 CO 0.17 -0.01 0.42 0.54 -0.00 0.00 0.00 176.95 178.08 2hdk s ASN 544 N -1.16 1.12 0.24 5.86 2.20 -0.81 -0.84 114.94 121.55 2hdk s ASN 544 Ca -0.03 -1.56 0.20 0.00 -0.94 0.00 0.00 52.86 50.53 2hdk s ASN 544 Cb -0.08 0.64 0.93 0.00 -2.00 0.00 0.00 41.25 40.74 2hdk s ASN 544 CO 0.01 -1.24 1.61 -0.90 -2.94 0.00 0.00 177.10 173.64 2hdk n ASP 545 N -1.45 0.51 -0.01 3.54 5.68 -0.96 -0.96 116.55 122.89 2hdk n ASP 545 Ca 0.03 0.67 0.14 0.00 -0.50 0.00 0.00 54.79 55.13 2hdk n ASP 545 Cb 0.62 -0.76 0.66 0.00 -1.14 0.00 0.00 41.12 40.50 2hdk n ASP 545 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2hdk n LYS 546 N -2.11 0.28 0.00 0.11 -0.00 -1.26 -5.03 118.16 110.15 2hdk n LYS 546 Ca 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2hdk n LYS 546 Cb 0.13 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.66 2hdk n LYS 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hdk n GLY 547 N 1.37 0.46 3.78 2.58 0.00 -0.13 -5.06 105.19 108.19 2hdk n GLY 547 Ca 0.11 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 2hdk n GLY 547 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2hdk s TRP 548 N -0.35 3.70 0.00 1.61 0.52 -1.26 -1.91 118.94 121.24 2hdk s TRP 548 Ca 0.00 1.75 0.00 0.00 0.02 0.00 0.00 56.10 57.87 2hdk s TRP 548 Cb 0.00 -2.89 0.00 0.00 -1.15 0.00 0.00 33.47 29.43 2hdk s TRP 548 CO 0.00 0.23 0.00 0.41 0.02 0.00 0.00 176.95 177.61 2hdk n GLY 549 N 0.60 0.14 3.72 0.98 0.00 0.60 -4.89 105.19 106.34 2hdk n GLY 549 Ca 0.01 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 2hdk n GLY 549 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hdk s GLN 550 N 0.13 4.35 0.47 1.61 0.74 -1.26 -4.76 119.66 120.94 2hdk s GLN 550 Ca 0.00 0.54 -0.23 0.00 0.05 0.00 0.00 55.36 55.72 2hdk s GLN 550 Cb 0.00 -3.45 -0.07 0.00 1.10 0.00 0.00 33.01 30.59 2hdk s GLN 550 CO 0.00 0.11 1.17 -1.25 -0.55 0.00 0.00 175.29 174.77 2hdk s PRO 551 N 0.75 3.71 -0.01 1.67 0.04 -1.26 -4.72 135.00 135.17 2hdk s PRO 551 Ca 0.28 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 2hdk s PRO 551 Cb -0.16 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.02 2hdk s PRO 551 CO 0.12 -0.60 0.04 -0.98 0.04 0.00 0.00 177.00 175.62 2hdk s ARG 552 N -2.76 0.12 -0.21 4.56 1.70 -0.44 -1.62 118.95 120.30 2hdk s ARG 552 Ca 0.65 -0.08 -0.08 0.00 -0.47 0.00 0.00 55.73 55.75 2hdk s ARG 552 Cb -0.28 0.05 -0.04 0.00 -0.57 0.00 0.00 34.95 34.11 2hdk s ARG 552 CO 0.34 -0.02 0.08 0.42 -1.08 0.00 0.00 175.30 175.04 2hdk s ILE 553 N -0.31 4.70 0.20 4.99 1.01 -0.34 -0.86 121.20 130.60 2hdk s ILE 553 Ca -0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 2hdk s ILE 553 Cb -0.02 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 2hdk s ILE 553 CO -0.00 0.41 0.22 0.00 0.00 0.00 0.00 174.94 175.57 2hdk s GLN 554 N 0.83 1.26 0.77 2.79 -2.07 -1.01 -1.16 119.66 121.07 2hdk s GLN 554 Ca 0.04 -1.48 -0.12 0.00 -1.82 0.00 0.00 55.36 51.98 2hdk s GLN 554 Cb -0.13 0.33 0.06 0.00 -1.09 0.00 0.00 33.01 32.17 2hdk s GLN 554 CO 0.02 -0.44 1.12 -2.14 -1.32 0.00 0.00 175.29 172.53 2hdk s PRO 555 N -4.10 2.08 -0.03 9.60 0.02 -1.25 -1.48 135.00 139.84 2hdk s PRO 555 Ca 0.32 1.38 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 2hdk s PRO 555 Cb 0.05 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.64 2hdk s PRO 555 CO 0.09 -1.81 1.68 0.12 -0.33 0.00 0.00 177.00 176.76 2hdk s PHE 556 N -2.61 1.97 0.23 6.54 5.36 -0.04 -4.60 117.98 124.84 2hdk s PHE 556 Ca 0.65 0.15 -0.07 0.00 -0.96 0.00 0.00 56.93 56.70 2hdk s PHE 556 Cb -0.21 -3.95 -0.02 0.00 -0.34 0.00 0.00 43.02 38.50 2hdk s PHE 556 CO 0.52 -4.02 0.32 1.14 -1.46 0.00 0.00 175.22 171.72 2hdk s GLN 557 N 3.88 1.42 0.57 10.12 -2.07 -1.26 -5.01 119.66 127.29 2hdk s GLN 557 Ca 0.75 -1.45 -0.16 0.00 -1.82 0.00 0.00 55.36 52.68 2hdk s GLN 557 Cb -0.35 0.38 -0.05 0.00 -1.09 0.00 0.00 33.01 31.90 2hdk s GLN 557 CO 0.31 -0.54 1.03 -0.80 -1.32 0.00 0.00 175.29 173.97 2hdk s ASN 558 N -3.10 6.09 0.14 12.60 0.01 -1.26 -5.04 114.94 124.38 2hdk s ASN 558 Ca 0.30 1.72 -0.16 0.00 -0.71 0.00 0.00 52.86 54.01 2hdk s ASN 558 Cb 0.03 -2.52 -0.07 0.00 0.41 0.00 0.00 41.25 39.09 2hdk s ASN 558 CO 0.11 -0.95 0.58 -0.76 -1.51 0.00 0.00 177.10 174.56 2hdk s LEU 559 N -4.37 4.38 -0.36 0.60 1.43 -1.26 -5.06 118.68 114.05 2hdk s LEU 559 Ca 0.62 1.16 -0.07 0.00 -1.03 0.00 0.00 54.13 54.81 2hdk s LEU 559 Cb -0.14 -3.22 0.06 0.00 0.03 0.00 0.00 46.19 42.92 2hdk s LEU 559 CO 0.35 0.13 0.15 -0.89 0.23 0.00 0.00 176.35 176.32 2hdk s THR 560 N -1.39 3.81 -0.00 5.49 2.01 -1.26 -5.09 115.64 119.21 2hdk s THR 560 Ca 0.36 -1.29 0.08 0.00 0.31 0.00 0.00 61.69 61.16 2hdk s THR 560 Cb -0.16 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 2hdk s THR 560 CO 0.19 -0.30 -0.26 -0.76 -0.69 0.00 0.00 174.62 172.80 2hdk s LEU 561 N 1.38 2.09 0.34 4.42 1.43 -1.26 -5.12 118.68 121.96 2hdk s LEU 561 Ca 0.00 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 2hdk s LEU 561 Cb -0.21 -1.33 -0.10 0.00 0.03 0.00 0.00 46.19 44.58 2hdk s LEU 561 CO 0.02 0.30 1.37 -2.28 0.23 0.00 0.00 176.35 175.99 2hdk s HIS 562 N -0.66 2.92 0.58 0.29 5.65 -1.26 -4.90 115.29 117.91 2hdk s HIS 562 Ca 0.10 1.30 0.35 0.00 0.25 0.00 0.00 55.06 57.07 2hdk s HIS 562 Cb -0.10 -3.79 1.93 0.00 -1.18 0.00 0.00 32.58 29.43 2hdk s HIS 562 CO -0.00 -2.27 2.08 -1.35 -0.65 0.00 0.00 174.74 172.55 2hdk h PRO 563 N 3.45 0.00 -0.50 2.88 0.11 -1.99 -1.42 132.00 134.53 2hdk h PRO 563 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2hdk h PRO 563 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2hdk h PRO 563 CO 0.66 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 2hdk n ALA 564 N -1.95 2.40 -1.63 -0.75 0.00 -1.26 -4.96 120.51 112.36 2hdk n ALA 564 Ca -0.02 -1.10 -0.52 0.00 0.00 0.00 0.00 53.44 51.80 2hdk n ALA 564 Cb 0.22 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 2hdk n ALA 564 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hdk n SER 565 N 1.55 2.15 0.30 0.00 2.88 -0.54 -3.21 113.62 116.77 2hdk n SER 565 Ca 0.21 1.10 0.21 0.00 -1.33 0.00 0.00 58.87 59.05 2hdk n SER 565 Cb 0.61 -1.24 1.07 0.00 -0.75 0.00 0.00 64.21 63.91 2hdk n SER 565 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2hdk h SER 566 N 5.55 0.00 0.33 -3.46 4.64 -1.59 -1.78 113.55 117.23 2hdk h SER 566 Ca -0.47 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.78 2hdk h SER 566 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2hdk h SER 566 CO 0.84 0.00 -0.33 0.77 -0.87 0.00 0.00 176.83 177.24 2hdk h SER 567 N 0.00 0.00 0.56 4.97 4.64 -1.66 -1.05 113.55 121.00 2hdk h SER 567 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hdk h SER 567 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2hdk h SER 567 CO 0.00 0.33 -1.29 0.18 -0.87 0.00 0.00 176.83 175.18 2hdk n LEU 568 N -4.15 0.54 -0.09 5.97 4.77 -0.68 -3.64 117.00 119.73 2hdk n LEU 568 Ca -0.02 0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 2hdk n LEU 568 Cb 0.37 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 2hdk n LEU 568 CO 0.38 -0.07 -1.13 1.41 -1.33 0.00 0.00 177.39 176.65 2hdk n HIS 569 N -2.36 0.00 -0.69 -1.77 8.25 -1.19 -4.77 115.22 112.70 2hdk n HIS 569 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2hdk n HIS 569 Cb 0.52 -0.70 0.19 0.00 1.12 0.00 0.00 29.99 31.12 2hdk n HIS 569 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2hdk n TYR 570 N -3.39 0.61 -3.89 4.41 4.01 -0.41 -5.01 117.16 113.48 2hdk n TYR 570 Ca -0.35 -0.75 -0.28 0.00 -0.16 0.00 0.00 57.90 56.36 2hdk n TYR 570 Cb 0.81 -0.19 0.02 0.00 -0.31 0.00 0.00 39.34 39.67 2hdk n TYR 570 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2hdk n SER 571 N -0.33 -3.18 -4.52 7.72 2.88 -1.16 -4.87 113.62 110.14 2hdk n SER 571 Ca 0.16 -0.84 -0.43 0.00 -1.33 0.00 0.00 58.87 56.43 2hdk n SER 571 Cb 0.67 -3.73 -0.00 0.00 -0.75 0.00 0.00 64.21 60.40 2hdk n SER 571 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2hdk s LEU 572 N -7.09 4.40 -0.20 2.46 1.43 -1.23 -4.75 118.68 113.70 2hdk s LEU 572 Ca 0.42 -2.58 -0.18 0.00 -1.03 0.00 0.00 54.13 50.76 2hdk s LEU 572 Cb -0.21 -2.49 0.05 0.00 0.03 0.00 0.00 46.19 43.56 2hdk s LEU 572 CO 0.84 -1.01 0.53 0.00 0.23 0.00 0.00 176.35 176.94 2hdk s GLN 573 N 3.07 0.62 0.08 1.70 -2.07 -1.26 -1.25 119.66 120.55 2hdk s GLN 573 Ca 0.47 0.73 -0.05 0.00 -1.82 0.00 0.00 55.36 54.69 2hdk s GLN 573 Cb 0.00 0.30 -0.02 0.00 -1.09 0.00 0.00 33.01 32.20 2hdk s GLN 573 CO 0.02 -0.07 0.09 -0.48 -1.32 0.00 0.00 175.29 173.52 2hdk s LEU 574 N 0.27 1.91 0.22 2.60 -0.00 -0.63 -2.42 118.68 120.63 2hdk s LEU 574 Ca -0.00 -0.86 -0.08 0.00 -0.00 0.00 0.00 54.13 53.19 2hdk s LEU 574 Cb -0.04 0.61 -0.02 0.00 -0.00 0.00 0.00 46.19 46.75 2hdk s LEU 574 CO 0.01 -0.68 0.32 0.72 -0.00 0.00 0.00 176.35 176.72 2hdk s PHE 575 N -3.91 0.66 0.27 3.48 -0.71 -0.98 -1.83 117.98 114.97 2hdk s PHE 575 Ca 0.08 -0.97 0.02 0.00 -1.04 0.00 0.00 56.93 55.01 2hdk s PHE 575 Cb 0.06 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 2hdk s PHE 575 CO -0.09 -0.82 0.14 -1.21 -1.34 0.00 0.00 175.22 171.89 2hdk s GLU 576 N -4.06 1.46 -0.30 1.99 0.41 -0.62 -4.77 118.70 112.81 2hdk s GLU 576 Ca 0.28 -1.81 -0.09 0.00 -0.41 0.00 0.00 54.97 52.94 2hdk s GLU 576 Cb 0.03 -0.04 0.14 0.00 -1.78 0.00 0.00 34.13 32.48 2hdk s GLU 576 CO 0.09 -0.40 0.66 0.20 -0.49 0.00 0.00 175.26 175.31 2hdk s GLY 577 N -3.31 -0.74 0.18 -1.39 0.00 -1.26 -3.85 107.32 96.95 2hdk s GLY 577 Ca 0.37 2.33 -0.07 0.00 0.00 0.00 0.00 44.72 47.36 2hdk s GLY 577 CO 0.16 3.10 0.24 -3.16 0.00 0.00 0.00 173.10 173.44 2hdk s MET 578 N 2.89 1.18 0.07 2.90 0.23 -1.01 -4.93 119.30 120.63 2hdk s MET 578 Ca -0.04 -1.32 0.08 0.00 -1.03 0.00 0.00 55.69 53.38 2hdk s MET 578 Cb -0.12 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 2hdk s MET 578 CO -0.19 -0.42 -0.21 0.15 -2.03 0.00 0.00 175.02 172.32 2hdk s LYS 579 N -4.03 1.29 -0.07 3.16 1.02 -1.26 -0.42 119.74 119.43 2hdk s LYS 579 Ca 0.23 -1.06 0.03 0.00 0.02 0.00 0.00 55.97 55.19 2hdk s LYS 579 Cb 0.04 -1.49 -0.02 0.00 -0.52 0.00 0.00 37.83 35.84 2hdk s LYS 579 CO 0.04 0.37 -0.15 0.00 -0.92 0.00 0.00 175.35 174.68 2hdk s ALA 580 N -0.96 2.60 0.05 5.17 0.00 -0.49 -2.45 121.76 125.68 2hdk s ALA 580 Ca 0.07 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.16 2hdk s ALA 580 Cb -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 2hdk s ALA 580 CO 0.03 0.46 -0.26 -0.06 0.00 0.00 0.00 175.76 175.93 2hdk s PHE 581 N -0.38 2.24 -0.31 0.00 0.40 0.18 -1.15 117.98 118.95 2hdk s PHE 581 Ca 0.04 -0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 2hdk s PHE 581 Cb -0.12 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 2hdk s PHE 581 CO 0.02 0.13 0.21 0.21 0.70 0.00 0.00 175.22 176.49 2hdk s LYS 582 N -1.26 3.65 1.07 0.44 2.20 -1.26 -0.62 119.74 123.97 2hdk s LYS 582 Ca 0.11 -0.53 -0.18 0.00 -0.36 0.00 0.00 55.97 55.01 2hdk s LYS 582 Cb -0.10 -3.73 0.25 0.00 -1.51 0.00 0.00 37.83 32.74 2hdk s LYS 582 CO 0.02 -0.34 1.27 0.20 -0.36 0.00 0.00 175.35 176.14 2hdk s GLY 583 N 1.73 1.74 0.39 5.54 0.00 -0.23 -4.90 107.32 111.59 2hdk s GLY 583 Ca 0.06 -1.22 0.20 0.00 0.00 0.00 0.00 44.72 43.76 2hdk s GLY 583 CO 0.10 -0.36 1.76 0.50 0.00 0.00 0.00 173.10 175.11 2hdk h LYS 584 N -2.07 0.00 -0.71 2.90 6.56 -1.90 -2.35 116.57 119.00 2hdk h LYS 584 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2hdk h LYS 584 Cb 1.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 2hdk h LYS 584 CO 0.32 0.34 0.00 -0.40 -2.06 0.00 0.00 179.45 177.65 2hdk n ASP 585 N -3.54 1.80 -0.03 0.86 5.75 -1.26 -4.88 116.55 115.25 2hdk n ASP 585 Ca -0.00 -2.16 -0.00 0.00 -0.01 0.00 0.00 54.79 52.61 2hdk n ASP 585 Cb 0.48 -0.43 -0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2hdk n ASP 585 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hdk n GLN 586 N 0.11 -1.99 -3.06 0.11 1.13 -0.88 -4.96 117.38 107.84 2hdk n GLN 586 Ca 0.06 0.40 -0.39 0.00 -1.94 0.00 0.00 57.00 55.13 2hdk n GLN 586 Cb 0.39 -4.47 -0.06 0.00 0.11 0.00 0.00 30.24 26.20 2hdk n GLN 586 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2hdk s GLN 587 N -1.60 4.47 -0.24 -1.09 0.74 -1.26 -4.74 119.66 115.93 2hdk s GLN 587 Ca 0.00 1.04 -0.12 0.00 0.05 0.00 0.00 55.36 56.33 2hdk s GLN 587 Cb 0.00 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 2hdk s GLN 587 CO 0.00 0.59 0.24 0.08 -0.55 0.00 0.00 175.29 175.65 2hdk s VAL 588 N -1.13 5.30 0.06 1.34 1.01 -1.26 -1.07 120.40 124.65 2hdk s VAL 588 Ca 0.34 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.72 2hdk s VAL 588 Cb -0.22 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2hdk s VAL 588 CO 0.24 0.30 -0.18 -0.13 0.00 0.00 0.00 175.10 175.33 2hdk s ARG 589 N 1.27 1.09 -0.06 2.72 0.52 0.21 -0.46 118.95 124.24 2hdk s ARG 589 Ca 0.11 -0.94 -0.03 0.00 -0.52 0.00 0.00 55.73 54.35 2hdk s ARG 589 Cb -0.14 -1.19 -0.04 0.00 0.52 0.00 0.00 34.95 34.10 2hdk s ARG 589 CO 0.06 0.29 0.11 -0.51 0.02 0.00 0.00 175.30 175.27 2hdk s LEU 590 N -1.42 4.11 -0.29 2.53 1.43 0.13 0.49 118.68 125.66 2hdk s LEU 590 Ca 0.04 0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.23 2hdk s LEU 590 Cb -0.09 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 2hdk s LEU 590 CO 0.02 0.34 0.65 0.12 0.23 0.00 0.00 176.35 177.71 2hdk s PHE 591 N -1.11 3.23 -0.77 0.29 5.36 -1.03 -0.27 117.98 123.68 2hdk s PHE 591 Ca 0.19 0.67 -0.07 0.00 -0.96 0.00 0.00 56.93 56.77 2hdk s PHE 591 Cb -0.12 -2.98 0.01 0.00 -0.34 0.00 0.00 43.02 39.59 2hdk s PHE 591 CO 0.09 -0.45 0.12 0.54 -1.46 0.00 0.00 175.22 174.07 2hdk n ARG 592 N 5.88 -0.84 0.23 10.12 1.74 -0.54 -4.76 116.66 128.49 2hdk n ARG 592 Ca -0.00 -0.04 0.16 0.00 -0.77 0.00 0.00 57.85 57.19 2hdk n ARG 592 Cb 0.49 -1.56 0.76 0.00 -1.02 0.00 0.00 32.46 31.13 2hdk n ARG 592 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2hdk h PRO 593 N -0.32 0.00 -0.61 5.56 0.13 -1.83 -2.78 132.00 132.15 2hdk h PRO 593 Ca -0.36 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 2hdk h PRO 593 Cb 0.75 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.85 2hdk h PRO 593 CO 0.35 0.00 0.20 -1.49 -0.23 0.00 0.00 178.00 176.83 2hdk h TRP 594 N 0.00 0.93 -0.44 1.56 6.55 -1.96 -1.51 115.95 121.08 2hdk h TRP 594 Ca 0.00 -0.07 -0.06 0.00 0.95 0.00 0.00 58.89 59.71 2hdk h TRP 594 Cb 0.19 -0.28 -0.02 0.00 -0.86 0.00 0.00 29.16 28.19 2hdk h TRP 594 CO 0.00 0.74 0.03 -0.07 -1.05 0.00 0.00 178.44 178.10 2hdk h LEU 595 N 0.89 0.67 -0.48 -4.49 3.38 -1.88 -1.48 115.31 111.92 2hdk h LEU 595 Ca 0.20 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 2hdk h LEU 595 Cb 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2hdk h LEU 595 CO -0.01 0.71 -0.38 0.78 0.09 0.00 0.00 178.44 179.63 2hdk h ASN 596 N 0.67 0.89 -0.51 -0.43 2.35 -1.49 -1.97 115.58 115.09 2hdk h ASN 596 Ca 0.14 -0.40 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 2hdk h ASN 596 Cb 0.37 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2hdk h ASN 596 CO 0.01 1.16 0.12 0.24 -1.65 0.00 0.00 177.43 177.31 2hdk h MET 597 N 0.68 0.88 -0.47 0.81 2.86 -1.03 -1.47 114.93 117.20 2hdk h MET 597 Ca 0.06 -0.19 -0.12 0.00 -2.06 0.00 0.00 59.70 57.38 2hdk h MET 597 Cb 0.95 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2hdk h MET 597 CO 0.09 0.80 -0.18 -0.44 1.06 0.00 0.00 176.91 178.24 2hdk h ASP 598 N 0.84 0.97 -0.56 1.22 3.45 -1.00 -2.81 116.42 118.53 2hdk h ASP 598 Ca 0.18 -0.39 -0.10 0.00 0.43 0.00 0.00 57.03 57.16 2hdk h ASP 598 Cb 0.33 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 2hdk h ASP 598 CO 0.00 1.14 -0.03 -0.09 -1.57 0.00 0.00 179.24 178.69 2hdk h ARG 599 N 0.79 1.03 -0.28 3.56 2.43 -1.04 -1.97 114.38 118.90 2hdk h ARG 599 Ca 0.11 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 2hdk h ARG 599 Cb 0.75 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2hdk h ARG 599 CO 0.06 1.02 0.12 1.98 -1.51 0.00 0.00 179.97 181.64 2hdk h MET 600 N 0.93 0.41 -0.60 0.20 4.05 -1.25 -0.16 114.93 118.51 2hdk h MET 600 Ca 0.16 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.54 2hdk h MET 600 Cb 0.58 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.27 2hdk h MET 600 CO 0.03 0.42 0.37 1.25 0.23 0.00 0.00 176.91 179.22 2hdk h LEU 601 N 0.31 0.62 -0.73 3.39 5.85 -1.36 -0.36 115.31 123.03 2hdk h LEU 601 Ca 0.09 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2hdk h LEU 601 Cb 0.15 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2hdk h LEU 601 CO -0.01 0.43 0.30 -0.09 -0.34 0.00 0.00 178.44 178.73 2hdk h ARG 602 N 0.74 1.10 -0.52 1.25 2.43 -1.02 -1.79 114.38 116.58 2hdk h ARG 602 Ca 0.24 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 2hdk h ARG 602 Cb -0.00 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2hdk h ARG 602 CO -0.09 0.90 -0.03 0.77 -1.51 0.00 0.00 179.97 180.00 2hdk h SER 603 N 1.05 0.87 -0.57 -3.80 0.02 -0.48 -2.39 113.55 108.26 2hdk h SER 603 Ca 0.24 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2hdk h SER 603 Cb 0.21 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2hdk h SER 603 CO -0.02 0.95 0.07 0.00 -1.14 0.00 0.00 176.83 176.69 2hdk h ALA 604 N 1.13 0.77 -0.35 3.77 0.00 -0.73 -2.82 119.26 121.03 2hdk h ALA 604 Ca 0.15 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2hdk h ALA 604 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2hdk h ALA 604 CO 0.03 0.54 -0.23 0.52 0.00 0.00 0.00 179.25 180.11 2hdk h MET 605 N 0.86 0.68 0.00 0.00 2.07 -1.18 0.16 114.93 117.51 2hdk h MET 605 Ca 0.17 -0.27 -0.05 0.00 -2.07 0.00 0.00 59.70 57.49 2hdk h MET 605 Cb 0.45 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 2hdk h MET 605 CO 0.02 0.85 -0.22 -0.09 1.07 0.00 0.00 176.91 178.53 2hdk h ARG 606 N 0.60 0.00 -0.39 1.72 9.65 -1.22 -2.55 114.38 122.18 2hdk h ARG 606 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2hdk h ARG 606 Cb 0.71 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 2hdk h ARG 606 CO 0.05 0.22 0.00 1.28 2.80 0.00 0.00 179.97 184.33 2hdk n LEU 607 N -3.65 3.21 -3.40 3.80 4.77 -0.99 -4.97 117.00 115.76 2hdk n LEU 607 Ca -0.01 -1.66 -0.23 0.00 -0.03 0.00 0.00 56.01 54.08 2hdk n LEU 607 Cb 0.35 -0.25 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 2hdk n LEU 607 CO 0.33 0.74 0.17 0.00 -1.33 0.00 0.00 177.39 177.30 2hdk s LEU 609 N -7.10 4.07 0.35 0.00 1.43 0.45 -4.50 118.68 113.39 2hdk s LEU 609 Ca 0.50 0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 53.80 2hdk s LEU 609 Cb -0.22 -3.31 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 2hdk s LEU 609 CO 0.62 -0.22 1.33 -2.16 0.23 0.00 0.00 176.35 176.14 2hdk s PRO 610 N -3.97 4.25 0.84 1.29 0.04 -1.26 -4.42 135.00 131.77 2hdk s PRO 610 Ca 0.40 2.24 -0.11 0.00 0.04 0.00 0.00 61.00 63.58 2hdk s PRO 610 Cb -0.10 -2.99 0.10 0.00 0.04 0.00 0.00 34.50 31.55 2hdk s PRO 610 CO 0.33 -0.29 1.10 -1.12 0.04 0.00 0.00 177.00 177.06 2hdk s SER 611 N -0.50 3.85 0.24 6.66 0.01 -1.26 -4.95 113.70 117.74 2hdk s SER 611 Ca 0.51 1.76 -0.10 0.00 1.31 0.00 0.00 55.95 59.42 2hdk s SER 611 Cb -0.40 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.41 2hdk s SER 611 CO 0.53 -2.44 0.41 0.72 0.41 0.00 0.00 173.24 172.87 2hdk s PHE 612 N -2.86 0.52 -0.19 2.43 -0.12 -1.26 -4.81 117.98 111.68 2hdk s PHE 612 Ca 0.63 -0.85 -0.17 0.00 -0.05 0.00 0.00 56.93 56.48 2hdk s PHE 612 Cb -0.18 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 2hdk s PHE 612 CO 0.57 -0.92 0.46 0.34 -0.05 0.00 0.00 175.22 175.61 2hdk s ASP 613 N -3.04 6.51 0.28 1.98 -1.08 -1.26 -4.96 116.67 115.10 2hdk s ASP 613 Ca 0.26 0.61 0.02 0.00 -0.52 0.00 0.00 52.55 52.91 2hdk s ASP 613 Cb 0.01 -2.26 0.59 0.00 -1.46 0.00 0.00 42.92 39.80 2hdk s ASP 613 CO 0.09 -0.12 1.80 0.11 0.52 0.00 0.00 175.17 177.58 2hdk h LYS 614 N 7.36 0.81 0.02 4.34 1.57 -1.99 -2.08 116.57 126.60 2hdk h LYS 614 Ca -0.35 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.17 2hdk h LYS 614 Cb 1.16 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2hdk h LYS 614 CO 0.73 0.54 -0.93 -0.07 -0.57 0.00 0.00 179.45 179.14 2hdk h LEU 615 N 0.84 0.31 -0.52 2.94 3.38 -1.99 -2.62 115.31 117.65 2hdk h LEU 615 Ca 0.51 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 58.07 2hdk h LEU 615 Cb 0.63 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2hdk h LEU 615 CO -0.32 1.08 -0.34 -0.33 0.09 0.00 0.00 178.44 178.62 2hdk h GLU 616 N 0.12 0.83 -0.45 1.13 4.39 -1.84 -0.37 114.58 118.40 2hdk h GLU 616 Ca -0.06 -0.41 -0.09 0.00 0.34 0.00 0.00 59.36 59.15 2hdk h GLU 616 Cb 1.58 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 2hdk h GLU 616 CO 0.15 1.04 -0.07 1.25 -1.16 0.00 0.00 179.01 180.22 2hdk h LEU 617 N 0.69 0.84 -0.91 1.33 5.85 -1.40 -1.28 115.31 120.42 2hdk h LEU 617 Ca 0.07 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 2hdk h LEU 617 Cb 0.90 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 2hdk h LEU 617 CO 0.08 0.98 0.56 0.25 -0.34 0.00 0.00 178.44 179.97 2hdk h LEU 618 N 0.68 1.09 -0.55 2.25 5.85 -1.19 0.12 115.31 123.56 2hdk h LEU 618 Ca 0.12 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.70 2hdk h LEU 618 Cb 0.59 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2hdk h LEU 618 CO 0.04 0.83 0.02 -0.08 -0.34 0.00 0.00 178.44 178.90 2hdk h GLU 619 N 1.25 0.95 -0.32 1.25 4.57 -0.81 0.45 114.58 121.92 2hdk h GLU 619 Ca 0.33 -0.29 -0.12 0.00 -1.18 0.00 0.00 59.36 58.10 2hdk h GLU 619 Cb -0.07 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2hdk h GLU 619 CO -0.06 0.95 -0.30 0.00 -1.18 0.00 0.00 179.01 178.42 2hdk h ILE 621 N 0.57 1.26 -0.33 0.00 2.04 -0.30 -1.38 117.51 119.38 2hdk h ILE 621 Ca 0.07 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 2hdk h ILE 621 Cb 0.80 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2hdk h ILE 621 CO 0.07 0.38 0.17 -0.09 0.00 0.00 0.00 178.15 178.68 2hdk h ARG 622 N 0.97 0.46 -0.84 2.37 2.43 -0.56 -0.19 114.38 119.03 2hdk h ARG 622 Ca 0.19 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2hdk h ARG 622 Cb 0.43 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2hdk h ARG 622 CO 0.01 0.40 0.55 0.00 -1.51 0.00 0.00 179.97 179.43 2hdk h ARG 623 N 0.41 1.11 -0.58 0.20 2.47 -1.11 0.12 114.38 116.99 2hdk h ARG 623 Ca 0.12 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 58.71 2hdk h ARG 623 Cb 0.08 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 2hdk h ARG 623 CO -0.02 0.73 0.13 1.25 0.56 0.00 0.00 179.97 182.63 2hdk h LEU 624 N 1.14 0.90 -0.70 3.04 5.85 -0.12 -1.61 115.31 123.80 2hdk h LEU 624 Ca 0.31 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 2hdk h LEU 624 Cb -0.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 2hdk h LEU 624 CO -0.07 0.90 -0.58 0.40 -0.34 0.00 0.00 178.44 178.76 2hdk h ILE 625 N 0.85 1.38 -0.37 4.05 2.04 -0.03 -2.10 117.51 123.34 2hdk h ILE 625 Ca 0.18 -1.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 2hdk h ILE 625 Cb 0.36 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2hdk h ILE 625 CO 0.00 0.57 0.17 -0.08 0.00 0.00 0.00 178.15 178.82 2hdk h GLU 626 N 0.16 0.53 -0.21 2.37 4.81 -0.55 0.18 114.58 121.89 2hdk h GLU 626 Ca -0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2hdk h GLU 626 Cb 1.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2hdk h GLU 626 CO 0.09 0.48 0.10 0.28 -0.73 0.00 0.00 179.01 179.23 2hdk h VAL 627 N 0.46 1.13 -0.53 0.32 2.07 -1.21 -3.05 116.25 115.44 2hdk h VAL 627 Ca 0.13 -0.37 -0.18 0.00 0.82 0.00 0.00 66.70 67.10 2hdk h VAL 627 Cb 0.13 1.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.79 2hdk h VAL 627 CO -0.02 0.13 0.23 0.47 0.02 0.00 0.00 177.57 178.40 2hdk n ASP 628 N -4.86 3.81 -0.31 0.57 8.00 -0.80 -4.70 116.55 118.27 2hdk n ASP 628 Ca -0.03 -2.85 0.13 0.00 0.71 0.00 0.00 54.79 52.75 2hdk n ASP 628 Cb 0.09 -0.68 0.31 0.00 -0.02 0.00 0.00 41.12 40.83 2hdk n ASP 628 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2hdk h LYS 629 N 1.62 0.37 0.00 -1.24 3.64 -0.53 -1.64 116.57 118.79 2hdk h LYS 629 Ca 0.22 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2hdk h LYS 629 Cb 1.88 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 2hdk h LYS 629 CO 0.54 0.24 0.00 -0.25 -2.27 0.00 0.00 179.45 177.71 2hdk n ASP 630 N -5.06 0.40 0.16 4.20 10.43 -1.26 -1.28 116.55 124.13 2hdk n ASP 630 Ca 0.22 0.64 0.06 0.00 2.57 0.00 0.00 54.79 58.29 2hdk n ASP 630 Cb 0.67 -0.71 0.06 0.00 1.84 0.00 0.00 41.12 42.98 2hdk n ASP 630 CO 0.00 0.00 0.00 -0.50 -1.07 0.00 0.00 177.20 175.63 2hdk h TRP 631 N 0.00 0.00 -2.72 1.24 4.06 -1.68 -3.44 115.95 113.41 2hdk h TRP 631 Ca 0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 2hdk h TRP 631 Cb 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 2hdk h TRP 631 CO 0.00 0.29 1.03 0.08 -3.56 0.00 0.00 178.44 176.28 2hdk s VAL 632 N -3.08 3.83 0.60 1.49 1.01 -0.41 -4.74 120.40 119.10 2hdk s VAL 632 Ca 0.04 1.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.86 2hdk s VAL 632 Cb 0.07 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2hdk s VAL 632 CO 0.73 -0.10 1.07 -2.84 0.00 0.00 0.00 175.10 173.96 2hdk s PRO 633 N 3.88 3.22 0.00 2.72 0.02 -1.26 -4.97 135.00 138.61 2hdk s PRO 633 Ca 0.67 1.28 0.17 0.00 0.02 0.00 0.00 61.00 63.15 2hdk s PRO 633 Cb -0.29 -2.01 0.16 0.00 0.02 0.00 0.00 34.50 32.37 2hdk s PRO 633 CO 0.24 -0.90 1.07 -0.40 -0.33 0.00 0.00 177.00 176.69 2hdk n ASP 634 N -2.02 2.51 -4.79 2.53 5.75 -1.26 -4.43 116.55 114.84 2hdk n ASP 634 Ca 0.09 -1.74 -0.30 0.00 -0.01 0.00 0.00 54.79 52.83 2hdk n ASP 634 Cb 0.52 -0.02 0.09 0.00 -1.03 0.00 0.00 41.12 40.68 2hdk n ASP 634 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hdk s ALA 635 N -1.44 2.25 0.03 2.12 0.00 -1.26 -4.99 121.76 118.48 2hdk s ALA 635 Ca 0.21 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 2hdk s ALA 635 Cb 0.15 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 2hdk s ALA 635 CO 0.22 -1.70 1.68 0.00 0.00 0.00 0.00 175.76 175.96 2hdk s ALA 636 N -3.07 3.65 0.00 0.00 0.00 -1.26 -2.72 121.76 118.36 2hdk s ALA 636 Ca 0.61 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2hdk s ALA 636 Cb -0.15 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2hdk s ALA 636 CO 0.55 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2hdk n GLY 637 N 4.09 0.80 3.96 0.00 0.00 -1.26 -4.97 105.19 107.80 2hdk n GLY 637 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2hdk n GLY 637 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hdk s THR 638 N -3.24 4.68 0.26 2.61 -4.23 -1.10 -4.23 115.64 110.39 2hdk s THR 638 Ca 0.00 -0.62 -0.20 0.00 -1.18 0.00 0.00 61.69 59.68 2hdk s THR 638 Cb 0.00 -3.69 0.06 0.00 1.34 0.00 0.00 72.50 70.21 2hdk s THR 638 CO 0.00 -0.41 0.90 -0.94 -0.54 0.00 0.00 174.62 173.63 2hdk s SER 639 N -4.10 -0.06 -0.27 3.99 1.04 0.71 -4.77 113.70 110.24 2hdk s SER 639 Ca 0.42 -0.79 -0.08 0.00 0.48 0.00 0.00 55.95 55.99 2hdk s SER 639 Cb -0.10 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 2hdk s SER 639 CO 0.35 -1.27 0.09 -0.22 0.98 0.00 0.00 173.24 173.17 2hdk s LEU 640 N -3.15 3.64 -0.12 2.42 2.96 -0.30 0.25 118.68 124.38 2hdk s LEU 640 Ca 0.17 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.56 2hdk s LEU 640 Cb -0.04 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2hdk s LEU 640 CO 0.07 -0.08 0.61 -0.47 -1.32 0.00 0.00 176.35 175.16 2hdk s TYR 641 N 1.61 3.51 -0.22 5.38 5.04 0.12 -1.39 117.35 131.38 2hdk s TYR 641 Ca 0.06 1.05 -0.07 0.00 -2.44 0.00 0.00 57.07 55.67 2hdk s TYR 641 Cb -0.16 -2.72 -0.03 0.00 0.35 0.00 0.00 41.96 39.40 2hdk s TYR 641 CO 0.04 0.05 0.05 0.08 -1.34 0.00 0.00 175.55 174.43 2hdk s VAL 642 N 1.02 4.28 -0.47 3.14 1.01 0.43 -0.89 120.40 128.92 2hdk s VAL 642 Ca 0.32 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.14 2hdk s VAL 642 Cb -0.16 -2.97 0.12 0.00 0.00 0.00 0.00 36.38 33.37 2hdk s VAL 642 CO 0.14 0.38 0.20 -0.60 0.00 0.00 0.00 175.10 175.22 2hdk s ARG 643 N 1.24 1.85 0.15 2.72 6.06 0.17 -2.41 118.95 128.73 2hdk s ARG 643 Ca 0.04 -2.41 -0.27 0.00 -2.50 0.00 0.00 55.73 50.59 2hdk s ARG 643 Cb -0.15 -3.30 -0.07 0.00 0.06 0.00 0.00 34.95 31.49 2hdk s ARG 643 CO 0.03 -1.06 0.85 -2.14 -2.50 0.00 0.00 175.30 170.48 2hdk s PRO 644 N 0.06 4.66 0.01 5.12 0.02 -1.25 -2.02 135.00 141.60 2hdk s PRO 644 Ca 0.15 1.28 0.02 0.00 0.02 0.00 0.00 61.00 62.47 2hdk s PRO 644 Cb -0.24 -3.31 -0.01 0.00 0.02 0.00 0.00 34.50 30.97 2hdk s PRO 644 CO -0.02 0.44 -0.07 0.08 -0.33 0.00 0.00 177.00 177.10 2hdk s VAL 645 N -0.75 0.50 -0.07 3.83 1.01 0.92 -1.59 120.40 124.25 2hdk s VAL 645 Ca 0.40 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2hdk s VAL 645 Cb -0.23 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.72 2hdk s VAL 645 CO 0.28 0.01 -0.00 -0.22 0.00 0.00 0.00 175.10 175.16 2hdk s LEU 646 N -0.50 0.66 0.13 3.92 2.96 -0.76 -1.79 118.68 123.31 2hdk s LEU 646 Ca -0.01 -0.10 0.09 0.00 -0.22 0.00 0.00 54.13 53.90 2hdk s LEU 646 Cb -0.04 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.15 2hdk s LEU 646 CO -0.00 -0.18 -0.21 0.27 -1.32 0.00 0.00 176.35 174.91 2hdk s ILE 647 N 1.89 1.84 0.29 6.68 -4.36 -0.44 -1.60 121.20 125.49 2hdk s ILE 647 Ca 0.04 -1.74 -0.23 0.00 -0.26 0.00 0.00 60.65 58.46 2hdk s ILE 647 Cb -0.12 -1.74 -0.09 0.00 1.25 0.00 0.00 42.46 41.75 2hdk s ILE 647 CO -0.05 -0.15 0.85 -0.83 0.24 0.00 0.00 174.94 175.00 2hdk s GLY 648 N -2.27 2.70 -0.13 6.27 0.00 -0.38 -1.05 107.32 112.46 2hdk s GLY 648 Ca 0.12 0.36 0.24 0.00 0.00 0.00 0.00 44.72 45.44 2hdk s GLY 648 CO 0.06 0.75 1.14 -2.01 0.00 0.00 0.00 173.10 173.04 2hdk n ASN 649 N 0.56 1.23 -4.67 1.64 5.15 0.03 -2.22 115.26 116.98 2hdk n ASN 649 Ca 0.00 -2.01 -0.43 0.00 -0.60 0.00 0.00 54.58 51.54 2hdk n ASN 649 Cb 0.51 -0.37 -0.02 0.00 -0.53 0.00 0.00 39.78 39.36 2hdk n ASN 649 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2hdk s GLU 650 N -1.88 4.29 -1.01 1.20 2.56 -1.25 -4.70 118.70 117.92 2hdk s GLU 650 Ca 0.30 1.47 -0.08 0.00 0.00 0.00 0.00 54.97 56.67 2hdk s GLU 650 Cb 0.35 -3.65 -0.12 0.00 2.00 0.00 0.00 34.13 32.71 2hdk s GLU 650 CO -0.10 -0.58 2.87 -0.35 -0.56 0.00 0.00 175.26 176.54 2hdk n PRO 651 N 6.05 2.80 -3.92 4.30 -0.04 -1.26 -2.14 135.00 140.79 2hdk n PRO 651 Ca 0.12 -1.66 -0.10 0.00 -0.04 0.00 0.00 63.50 61.82 2hdk n PRO 651 Cb 0.46 -2.48 -0.11 0.00 -0.04 0.00 0.00 33.50 31.34 2hdk n PRO 651 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2hdk s SER 652 N 2.41 0.11 0.00 3.54 0.15 -1.20 -4.87 113.70 113.85 2hdk s SER 652 Ca 0.60 -0.30 0.24 0.00 0.70 0.00 0.00 55.95 57.19 2hdk s SER 652 Cb 0.19 0.15 0.78 0.00 -1.71 0.00 0.00 66.02 65.44 2hdk s SER 652 CO -0.04 -0.30 1.58 0.18 1.20 0.00 0.00 173.24 175.86 2hdk n LEU 653 N 1.69 1.87 -4.76 3.45 4.77 -1.26 -4.57 117.00 118.18 2hdk n LEU 653 Ca -0.22 -0.72 -0.39 0.00 -0.03 0.00 0.00 56.01 54.65 2hdk n LEU 653 Cb 0.56 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2hdk n LEU 653 CO 0.21 0.36 0.66 -0.83 -1.33 0.00 0.00 177.39 176.46 2hdk s GLY 654 N -1.74 3.01 -0.79 -0.72 0.00 -1.26 -4.97 107.32 100.85 2hdk s GLY 654 Ca 0.34 0.60 -0.21 0.00 0.00 0.00 0.00 44.72 45.45 2hdk s GLY 654 CO 0.29 1.13 1.07 0.14 0.00 0.00 0.00 173.10 175.73 2hdk s VAL 655 N -1.33 4.43 0.34 1.40 1.01 -1.26 -4.93 120.40 120.05 2hdk s VAL 655 Ca 0.44 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 2hdk s VAL 655 Cb -0.24 -4.75 0.02 0.00 0.00 0.00 0.00 36.38 31.41 2hdk s VAL 655 CO 0.30 -1.52 0.63 -0.94 0.00 0.00 0.00 175.10 173.56 2hdk s SER 656 N 3.77 0.30 0.13 3.32 1.04 -1.26 -5.13 113.70 115.86 2hdk s SER 656 Ca 0.28 -1.19 -0.31 0.00 0.48 0.00 0.00 55.95 55.21 2hdk s SER 656 Cb -0.11 0.74 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 2hdk s SER 656 CO 0.02 -1.44 1.52 -1.58 0.98 0.00 0.00 173.24 172.74 2hdk s GLN 657 N -2.97 4.24 0.35 4.02 0.74 -1.26 -4.97 119.66 119.82 2hdk s GLN 657 Ca 0.21 2.26 -0.26 0.00 0.05 0.00 0.00 55.36 57.63 2hdk s GLN 657 Cb -0.03 -3.26 -0.09 0.00 1.10 0.00 0.00 33.01 30.73 2hdk s GLN 657 CO 0.14 -0.58 1.03 -1.25 -0.55 0.00 0.00 175.29 174.09 2hdk s PRO 658 N 1.38 4.37 0.00 1.67 0.04 -1.26 -4.94 135.00 136.26 2hdk s PRO 658 Ca 0.69 1.53 0.23 0.00 0.04 0.00 0.00 61.00 63.48 2hdk s PRO 658 Cb -0.41 -2.75 0.04 0.00 0.04 0.00 0.00 34.50 31.42 2hdk s PRO 658 CO 0.31 0.04 1.12 0.54 0.04 0.00 0.00 177.00 179.05 2hdk n ARG 659 N 0.36 1.51 -4.43 4.56 5.12 -1.26 -4.90 116.66 117.62 2hdk n ARG 659 Ca 0.03 -1.23 -0.20 0.00 -1.93 0.00 0.00 57.85 54.52 2hdk n ARG 659 Cb 0.49 -1.46 -0.15 0.00 -1.16 0.00 0.00 32.46 30.17 2hdk n ARG 659 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2hdk s ARG 660 N -2.32 0.84 0.11 5.56 0.52 -1.26 -2.27 118.95 120.13 2hdk s ARG 660 Ca 0.21 -0.35 -0.12 0.00 -0.52 0.00 0.00 55.73 54.94 2hdk s ARG 660 Cb 0.18 -0.81 0.02 0.00 0.52 0.00 0.00 34.95 34.86 2hdk s ARG 660 CO 0.49 0.20 0.29 0.00 0.02 0.00 0.00 175.30 176.31 2hdk s ALA 661 N -0.18 -0.56 -0.03 2.13 0.00 -0.02 -0.79 121.76 122.32 2hdk s ALA 661 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 2hdk s ALA 661 Cb -0.05 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.69 2hdk s ALA 661 CO -0.00 -0.58 0.04 -1.17 0.00 0.00 0.00 175.76 174.05 2hdk s LEU 662 N -2.84 0.83 -0.19 0.00 2.96 -0.21 -1.31 118.68 117.91 2hdk s LEU 662 Ca 0.04 0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.98 2hdk s LEU 662 Cb 0.03 -0.10 0.00 0.00 0.50 0.00 0.00 46.19 46.63 2hdk s LEU 662 CO -0.11 -0.16 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.42 2hdk s LEU 663 N 1.37 2.58 0.14 -0.68 2.96 0.44 -1.33 118.68 124.15 2hdk s LEU 663 Ca -0.05 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.43 2hdk s LEU 663 Cb -0.13 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2hdk s LEU 663 CO -0.03 0.01 -0.13 0.72 -1.32 0.00 0.00 176.35 175.60 2hdk s PHE 664 N 1.27 1.42 -0.05 5.38 -0.71 -0.74 -0.20 117.98 124.35 2hdk s PHE 664 Ca 0.03 -0.60 0.01 0.00 -1.04 0.00 0.00 56.93 55.33 2hdk s PHE 664 Cb -0.14 -0.73 0.02 0.00 -1.21 0.00 0.00 43.02 40.97 2hdk s PHE 664 CO -0.06 0.17 -0.05 0.08 -1.34 0.00 0.00 175.22 174.02 2hdk s VAL 665 N -2.49 0.56 0.11 -2.49 1.01 -0.89 -0.05 120.40 116.16 2hdk s VAL 665 Ca 0.12 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.08 2hdk s VAL 665 Cb -0.03 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2hdk s VAL 665 CO 0.03 0.24 -0.24 0.27 0.00 0.00 0.00 175.10 175.40 2hdk s ILE 666 N 1.00 1.97 0.01 2.22 -4.36 -0.85 -1.95 121.20 119.23 2hdk s ILE 666 Ca -0.10 -1.64 0.08 0.00 -0.26 0.00 0.00 60.65 58.73 2hdk s ILE 666 Cb -0.14 -1.76 -0.02 0.00 1.25 0.00 0.00 42.46 41.78 2hdk s ILE 666 CO -0.00 0.01 -0.26 -0.76 0.24 0.00 0.00 174.94 174.17 2hdk s LEU 667 N -1.98 2.10 -0.12 0.37 1.43 -1.26 -0.66 118.68 118.56 2hdk s LEU 667 Ca 0.10 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 2hdk s LEU 667 Cb -0.10 -1.29 0.05 0.00 0.03 0.00 0.00 46.19 44.88 2hdk s LEU 667 CO 0.05 0.29 0.27 0.00 0.23 0.00 0.00 176.35 177.18 2hdk s PRO 669 N 1.47 4.27 0.01 0.00 0.02 -1.25 0.10 135.00 139.62 2hdk s PRO 669 Ca -0.08 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.23 2hdk s PRO 669 Cb -0.10 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.25 2hdk s PRO 669 CO -0.09 -0.47 -0.10 0.08 -0.33 0.00 0.00 177.00 176.09 2hdk s VAL 670 N 0.59 0.76 -1.77 3.83 1.01 0.14 -4.76 120.40 120.21 2hdk s VAL 670 Ca 0.64 -0.60 0.18 0.00 0.00 0.00 0.00 61.98 62.19 2hdk s VAL 670 Cb -0.41 -0.68 0.39 0.00 0.00 0.00 0.00 36.38 35.68 2hdk s VAL 670 CO 0.36 0.08 1.31 0.61 0.00 0.00 0.00 175.10 177.47 2hdk n GLY 671 N 2.48 1.92 5.19 4.51 0.00 -1.25 -0.21 105.19 117.83 2hdk n GLY 671 Ca -0.16 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2hdk n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hdk n ALA 672 N 1.13 0.00 -0.38 4.61 0.00 -1.26 -4.46 120.51 120.15 2hdk n ALA 672 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2hdk n ALA 672 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2hdk n ALA 672 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hdk n TYR 673 N 0.00 0.00 -3.18 0.00 4.02 -1.26 -4.78 117.16 111.96 2hdk n TYR 673 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 2hdk n TYR 673 Cb 0.00 -0.38 -0.06 0.00 -0.02 0.00 0.00 39.34 38.88 2hdk n TYR 673 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2hdk n PHE 674 N 0.07 -1.58 0.00 -0.72 0.99 -1.26 -5.07 117.46 109.88 2hdk n PHE 674 Ca 0.00 -2.85 0.00 0.00 -0.00 0.00 0.00 57.45 54.60 2hdk n PHE 674 Cb 0.00 0.48 0.00 0.00 -1.00 0.00 0.00 39.48 38.96 2hdk n PHE 674 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2hdk n PRO 675 N 2.47 0.00 -2.77 -1.08 -0.02 -1.26 -0.07 135.00 132.28 2hdk n PRO 675 Ca 0.24 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.69 2hdk n PRO 675 Cb 0.52 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.04 2hdk n PRO 675 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hdk n GLY 676 N -0.38 2.08 0.00 -1.23 0.00 -1.26 -4.91 105.19 99.49 2hdk n GLY 676 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2hdk n GLY 676 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hdk n GLY 677 N -0.54 3.07 1.98 -0.02 0.00 0.90 -4.99 105.19 105.58 2hdk n GLY 677 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2hdk n GLY 677 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2hdk n SER 678 N 0.77 0.00 -3.02 1.61 2.88 -1.24 -4.78 113.62 109.83 2hdk n SER 678 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2hdk n SER 678 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 2hdk n SER 678 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2hdk n VAL 679 N 0.00 -5.79 -3.02 2.46 0.31 -1.26 -5.00 118.33 106.02 2hdk n VAL 679 Ca 0.00 -0.61 -0.40 0.00 -0.01 0.00 0.00 64.34 63.32 2hdk n VAL 679 Cb 0.00 -4.96 -0.05 0.00 -0.91 0.00 0.00 33.84 27.92 2hdk n VAL 679 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2hdk s THR 680 N -3.31 4.83 0.89 2.52 -1.32 -1.26 -4.91 115.64 113.08 2hdk s THR 680 Ca 0.10 1.54 -0.12 0.00 -1.21 0.00 0.00 61.69 62.00 2hdk s THR 680 Cb -0.01 -4.07 0.13 0.00 -1.51 0.00 0.00 72.50 67.03 2hdk s THR 680 CO 0.62 0.34 1.13 -2.16 -2.21 0.00 0.00 174.62 172.34 2hdk s PRO 681 N 0.13 1.28 0.11 7.08 0.04 -1.26 -4.61 135.00 137.77 2hdk s PRO 681 Ca 0.37 0.32 0.05 0.00 0.04 0.00 0.00 61.00 61.78 2hdk s PRO 681 Cb -0.20 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2hdk s PRO 681 CO 0.21 -2.11 -0.12 0.14 0.04 0.00 0.00 177.00 175.16 2hdk s VAL 682 N -3.28 1.15 0.05 -0.36 -7.23 -0.79 -4.93 120.40 105.01 2hdk s VAL 682 Ca 0.63 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 2hdk s VAL 682 Cb -0.15 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 2hdk s VAL 682 CO 0.53 -0.49 0.04 -0.94 -0.31 0.00 0.00 175.10 173.94 2hdk s SER 683 N -2.47 5.35 0.01 4.85 1.04 -1.26 -2.38 113.70 118.84 2hdk s SER 683 Ca 0.08 -0.02 0.08 0.00 0.48 0.00 0.00 55.95 56.57 2hdk s SER 683 Cb -0.04 -1.41 -0.02 0.00 0.10 0.00 0.00 66.02 64.65 2hdk s SER 683 CO 0.02 0.22 -0.23 -0.76 0.98 0.00 0.00 173.24 173.46 2hdk s LEU 684 N -2.04 2.10 -0.29 2.42 1.43 0.07 -1.61 118.68 120.76 2hdk s LEU 684 Ca 0.25 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2hdk s LEU 684 Cb -0.12 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 2hdk s LEU 684 CO 0.17 0.25 0.21 -0.22 0.23 0.00 0.00 176.35 176.98 2hdk s LEU 685 N -0.86 4.15 -0.52 1.79 2.96 0.29 -0.33 118.68 126.17 2hdk s LEU 685 Ca 0.09 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.82 2hdk s LEU 685 Cb -0.09 -2.14 0.13 0.00 0.50 0.00 0.00 46.19 44.60 2hdk s LEU 685 CO 0.00 -0.10 0.38 0.00 -1.32 0.00 0.00 176.35 175.32 2hdk s ALA 686 N 1.76 3.46 -0.19 5.97 0.00 0.08 0.10 121.76 132.95 2hdk s ALA 686 Ca 0.07 -2.70 0.01 0.00 0.00 0.00 0.00 51.96 49.34 2hdk s ALA 686 Cb -0.16 -2.84 0.04 0.00 0.00 0.00 0.00 23.12 20.16 2hdk s ALA 686 CO 0.11 -1.96 -0.13 0.34 0.00 0.00 0.00 175.76 174.12 2hdk s ASP 687 N 2.33 3.27 0.30 0.00 -1.08 -1.26 -4.11 116.67 116.11 2hdk s ASP 687 Ca 0.08 -0.79 0.22 0.00 -0.52 0.00 0.00 52.55 51.54 2hdk s ASP 687 Cb -0.24 -1.29 1.09 0.00 -1.46 0.00 0.00 42.92 41.02 2hdk s ASP 687 CO -0.02 -0.10 1.66 -0.81 0.52 0.00 0.00 175.17 176.42 2hdk n PRO 688 N 4.67 0.15 0.23 4.34 -0.04 -1.26 -2.34 135.00 140.75 2hdk n PRO 688 Ca -0.16 0.57 0.16 0.00 -0.04 0.00 0.00 63.50 64.03 2hdk n PRO 688 Cb 0.48 -1.93 0.71 0.00 -0.04 0.00 0.00 33.50 32.72 2hdk n PRO 688 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hdk h ALA 689 N 2.08 1.00 -3.15 0.55 0.00 -1.96 -3.40 119.26 114.37 2hdk h ALA 689 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 2hdk h ALA 689 Cb 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.61 2hdk h ALA 689 CO 0.00 0.00 -0.63 -0.06 0.00 0.00 0.00 179.25 178.56 2hdk s PHE 690 N -3.62 3.21 -0.15 0.00 0.40 -0.99 -5.08 117.98 111.75 2hdk s PHE 690 Ca 0.01 -1.34 -0.03 0.00 -0.60 0.00 0.00 56.93 54.96 2hdk s PHE 690 Cb 0.09 -2.24 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 2hdk s PHE 690 CO 0.42 -0.69 -0.04 0.42 0.70 0.00 0.00 175.22 176.03 2hdk s ILE 691 N 1.41 3.84 -0.00 0.64 1.09 -1.26 -4.56 121.20 122.36 2hdk s ILE 691 Ca -0.01 -0.38 0.03 0.00 -1.10 0.00 0.00 60.65 59.19 2hdk s ILE 691 Cb -0.19 -2.68 -0.25 0.00 -1.06 0.00 0.00 42.46 38.29 2hdk s ILE 691 CO 0.02 0.50 0.82 -0.09 -0.10 0.00 0.00 174.94 176.09 2hdk h ARG 692 N 6.62 0.14 -1.88 2.79 2.43 -1.98 -3.49 114.38 119.02 2hdk h ARG 692 Ca -0.32 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 58.59 2hdk h ARG 692 Cb 1.19 0.09 -0.20 0.00 -0.42 0.00 0.00 29.97 30.63 2hdk h ARG 692 CO 0.62 0.93 0.29 0.00 -1.51 0.00 0.00 179.97 180.29 2hdk s ALA 693 N -2.62 -1.82 0.16 2.80 0.00 -1.26 -4.87 121.76 114.15 2hdk s ALA 693 Ca -0.07 1.44 0.11 0.00 0.00 0.00 0.00 51.96 53.44 2hdk s ALA 693 Cb 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2hdk s ALA 693 CO 0.83 -0.35 -0.26 -0.46 0.00 0.00 0.00 175.76 175.53 2hdk s TRP 694 N -1.04 2.30 0.15 0.00 -0.11 -1.26 -4.96 118.94 114.02 2hdk s TRP 694 Ca -0.08 -0.37 -0.31 0.00 1.22 0.00 0.00 56.10 56.56 2hdk s TRP 694 Cb -0.01 -1.20 -0.10 0.00 -1.50 0.00 0.00 33.47 30.67 2hdk s TRP 694 CO 0.07 0.41 1.60 0.08 -4.62 0.00 0.00 176.95 174.49 2hdk s VAL 695 N -1.34 2.67 0.00 5.86 1.01 -1.26 -1.12 120.40 126.23 2hdk s VAL 695 Ca 0.17 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2hdk s VAL 695 Cb -0.09 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2hdk s VAL 695 CO 0.08 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2hdk n GLY 696 N 3.83 0.74 0.00 4.51 0.00 -1.26 -5.05 105.19 107.96 2hdk n GLY 696 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2hdk n GLY 696 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hdk n GLY 697 N -2.52 2.62 0.08 -0.02 0.00 -0.27 -5.07 105.19 100.01 2hdk n GLY 697 Ca 0.00 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 44.14 2hdk n GLY 697 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hdk n VAL 698 N 0.00 1.20 0.21 1.61 0.24 -1.26 -4.77 118.33 115.56 2hdk n VAL 698 Ca 0.00 -1.37 0.04 0.00 -2.04 0.00 0.00 64.34 60.97 2hdk n VAL 698 Cb 0.00 0.22 0.19 0.00 -1.47 0.00 0.00 33.84 32.78 2hdk n VAL 698 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hdk n GLY 699 N -0.82 -0.75 1.21 7.63 0.00 -1.26 -1.58 105.19 109.61 2hdk n GLY 699 Ca 0.07 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.19 2hdk n GLY 699 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hdk n ASN 700 N -1.61 3.52 -4.26 1.61 2.04 -1.22 -3.77 115.26 111.57 2hdk n ASN 700 Ca 0.01 -2.06 -0.25 0.00 -0.44 0.00 0.00 54.58 51.85 2hdk n ASN 700 Cb 0.08 -0.44 -0.13 0.00 -2.53 0.00 0.00 39.78 36.75 2hdk n ASN 700 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 2hdk s TYR 701 N -1.25 1.79 -1.38 -2.53 2.02 -0.62 -4.50 117.35 110.89 2hdk s TYR 701 Ca 0.43 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.62 2hdk s TYR 701 Cb 0.23 -1.03 0.09 0.00 -0.40 0.00 0.00 41.96 40.85 2hdk s TYR 701 CO 0.28 0.14 2.12 1.17 -1.57 0.00 0.00 175.55 177.69 2hdk n LYS 702 N 1.53 3.35 -4.13 -0.62 4.81 -1.26 -4.95 118.16 116.89 2hdk n LYS 702 Ca -0.18 -3.04 -0.35 0.00 -0.87 0.00 0.00 58.31 53.86 2hdk n LYS 702 Cb 0.53 -3.06 -0.08 0.00 0.02 0.00 0.00 35.03 32.45 2hdk n LYS 702 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hdk s LEU 703 N 0.78 3.95 0.33 3.14 1.43 -1.26 -2.31 118.68 124.74 2hdk s LEU 703 Ca 0.45 0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.92 2hdk s LEU 703 Cb 0.13 -2.01 0.85 0.00 0.03 0.00 0.00 46.19 45.18 2hdk s LEU 703 CO -0.05 0.37 1.77 1.23 0.23 0.00 0.00 176.35 179.90 2hdk h GLY 704 N 4.87 1.69 1.84 -3.19 0.00 -1.81 -1.93 103.07 104.54 2hdk h GLY 704 Ca -0.52 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.50 2hdk h GLY 704 CO 0.57 -0.12 0.08 -1.33 0.00 0.00 0.00 176.54 175.75 2hdk h GLY 705 N 0.65 0.00 1.76 4.60 0.00 -1.85 -2.15 103.07 106.08 2hdk h GLY 705 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2hdk h GLY 705 CO -0.38 0.00 -0.19 3.43 0.00 0.00 0.00 176.54 179.40 2hdk h ASN 706 N 0.00 0.00 0.09 0.19 -0.26 -1.72 -3.39 115.58 110.49 2hdk h ASN 706 Ca 0.01 -0.05 -0.37 0.00 -0.56 0.00 0.00 56.30 55.33 2hdk h ASN 706 Cb 0.16 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 2hdk h ASN 706 CO -0.00 0.03 -2.12 -1.22 -1.06 0.00 0.00 177.43 173.05 2hdk n TYR 707 N -2.38 0.92 -0.19 1.19 4.02 -0.81 -4.45 117.16 115.47 2hdk n TYR 707 Ca 0.05 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 2hdk n TYR 707 Cb 0.45 -1.12 0.10 0.00 -0.02 0.00 0.00 39.34 38.75 2hdk n TYR 707 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2hdk h GLY 708 N 1.31 0.68 2.00 2.72 0.00 -1.75 -0.80 103.07 107.23 2hdk h GLY 708 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2hdk h GLY 708 CO 0.04 -0.15 0.00 -2.55 0.00 0.00 0.00 176.54 173.88 2hdk h PRO 709 N 0.19 0.00 0.00 4.80 0.11 -1.79 -2.99 132.00 132.31 2hdk h PRO 709 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 2hdk h PRO 709 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2hdk h PRO 709 CO -0.44 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.14 2hdk h THR 710 N 0.00 0.00 -0.65 -1.15 1.35 -1.35 -3.35 112.91 107.75 2hdk h THR 710 Ca 0.00 -0.84 0.07 0.00 -0.55 0.00 0.00 66.41 65.09 2hdk h THR 710 Cb 0.17 1.83 -0.06 0.00 -1.73 0.00 0.00 68.15 68.36 2hdk h THR 710 CO 0.00 0.00 0.34 0.58 -0.25 0.00 0.00 175.52 176.19 2hdk h VAL 711 N 0.00 0.92 -0.19 6.82 2.07 -1.60 -1.19 116.25 123.08 2hdk h VAL 711 Ca 0.00 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 2hdk h VAL 711 Cb 0.87 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2hdk h VAL 711 CO 0.00 0.11 -0.40 0.25 0.02 0.00 0.00 177.57 177.55 2hdk h LEU 712 N 0.62 0.45 -0.78 2.57 5.85 -1.81 -2.13 115.31 120.07 2hdk h LEU 712 Ca 0.30 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 2hdk h LEU 712 Cb 0.24 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2hdk h LEU 712 CO -0.21 0.81 -0.47 0.58 -0.34 0.00 0.00 178.44 178.81 2hdk h VAL 713 N 0.36 1.33 -0.43 1.05 2.07 -1.67 -1.39 116.25 117.56 2hdk h VAL 713 Ca 0.03 -1.67 -0.13 0.00 0.82 0.00 0.00 66.70 65.76 2hdk h VAL 713 Cb 0.86 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2hdk h VAL 713 CO 0.07 0.50 -0.24 -0.61 0.02 0.00 0.00 177.57 177.32 2hdk h GLN 714 N 0.27 0.90 -0.40 1.57 -0.00 -0.85 -1.58 115.11 115.02 2hdk h GLN 714 Ca 0.02 -0.38 -0.09 0.00 -0.00 0.00 0.00 58.65 58.19 2hdk h GLN 714 Cb 0.93 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.36 2hdk h GLN 714 CO 0.08 1.03 -0.12 1.96 0.00 0.00 0.00 178.83 181.78 2hdk h GLN 715 N 0.77 0.71 0.00 1.69 1.08 -1.04 -1.95 115.11 116.37 2hdk h GLN 715 Ca 0.10 -0.23 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 2hdk h GLN 715 Cb 0.79 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2hdk h GLN 715 CO 0.07 0.81 -0.39 1.49 -0.95 0.00 0.00 178.83 179.85 2hdk h GLU 716 N 0.65 0.00 -0.18 1.46 4.57 -0.72 -1.84 114.58 118.52 2hdk h GLU 716 Ca 0.11 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.15 2hdk h GLU 716 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2hdk h GLU 716 CO 0.04 0.39 -0.45 0.00 -1.18 0.00 0.00 179.01 177.81 2hdk h ALA 717 N 1.61 0.30 -0.65 2.92 0.00 -0.81 -3.01 119.26 119.62 2hdk h ALA 717 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2hdk h ALA 717 Cb 0.75 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2hdk h ALA 717 CO 0.05 0.44 0.27 -0.07 0.00 0.00 0.00 179.25 179.94 2hdk h LEU 718 N 0.30 0.87 -1.51 0.00 3.38 -0.88 0.21 115.31 117.68 2hdk h LEU 718 Ca -0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2hdk h LEU 718 Cb 1.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2hdk h LEU 718 CO 0.10 0.78 -0.12 0.11 0.09 0.00 0.00 178.44 179.39 2hdk h LYS 719 N 0.94 0.17 -0.41 1.13 1.57 -1.36 -2.11 116.57 116.50 2hdk h LYS 719 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2hdk h LYS 719 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2hdk h LYS 719 CO -0.02 0.30 0.00 0.54 -0.57 0.00 0.00 179.45 179.70 2hdk n ARG 720 N -4.31 2.34 -1.59 3.15 1.74 -0.79 -4.96 116.66 112.24 2hdk n ARG 720 Ca -0.01 -2.05 0.00 0.00 -0.77 0.00 0.00 57.85 55.02 2hdk n ARG 720 Cb 0.24 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2hdk n ARG 720 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hdk n GLY 721 N 1.43 0.79 3.25 -0.13 0.00 -0.79 -5.07 105.19 104.68 2hdk n GLY 721 Ca 0.19 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 2hdk n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hdk h GLU 723 N 3.89 0.00 -4.44 0.00 3.07 -1.64 -3.02 114.58 112.44 2hdk h GLU 723 Ca -0.43 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.15 2hdk h GLU 723 Cb 1.19 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.98 2hdk h GLU 723 CO 0.44 0.43 -0.42 -0.65 -1.40 0.00 0.00 179.01 177.40 2hdk s GLN 724 N -2.81 1.55 -0.14 2.33 -1.52 -0.63 -4.89 119.66 113.54 2hdk s GLN 724 Ca -0.03 -1.71 -0.04 0.00 -1.95 0.00 0.00 55.36 51.64 2hdk s GLN 724 Cb 0.08 0.35 -0.03 0.00 -0.22 0.00 0.00 33.01 33.20 2hdk s GLN 724 CO 0.81 -0.58 -0.02 0.08 -0.25 0.00 0.00 175.29 175.32 2hdk s VAL 725 N -3.71 4.03 -0.44 1.09 1.01 -1.26 -0.54 120.40 120.58 2hdk s VAL 725 Ca 0.35 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 2hdk s VAL 725 Cb 0.03 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.69 2hdk s VAL 725 CO 0.18 0.51 0.42 -0.22 0.00 0.00 0.00 175.10 175.99 2hdk s LEU 726 N 0.13 5.10 -0.28 3.92 2.96 0.11 -0.25 118.68 130.37 2hdk s LEU 726 Ca -0.00 -0.90 -0.29 0.00 -0.22 0.00 0.00 54.13 52.72 2hdk s LEU 726 Cb -0.13 -2.30 -0.00 0.00 0.50 0.00 0.00 46.19 44.26 2hdk s LEU 726 CO 0.02 -0.61 1.30 0.26 -1.32 0.00 0.00 176.35 176.01 2hdk s TRP 727 N 1.99 2.70 0.05 5.38 0.52 -0.62 -4.23 118.94 124.73 2hdk s TRP 727 Ca 0.09 0.89 0.00 0.00 0.02 0.00 0.00 56.10 57.10 2hdk s TRP 727 Cb -0.19 -3.86 -0.04 0.00 -1.15 0.00 0.00 33.47 28.23 2hdk s TRP 727 CO 0.11 -1.71 0.19 -0.51 0.02 0.00 0.00 176.95 175.05 2hdk s LEU 728 N 4.28 4.29 0.00 2.99 1.43 -1.26 -1.36 118.68 129.05 2hdk s LEU 728 Ca 0.56 0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 2hdk s LEU 728 Cb -0.17 -2.85 -0.00 0.00 0.03 0.00 0.00 46.19 43.19 2hdk s LEU 728 CO 0.22 0.18 -0.03 -0.47 0.23 0.00 0.00 176.35 176.48 2hdk s TYR 729 N -1.47 0.30 0.00 0.29 5.04 -0.31 -4.77 117.35 116.43 2hdk s TYR 729 Ca 0.33 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 2hdk s TYR 729 Cb -0.13 -0.19 0.00 0.00 0.35 0.00 0.00 41.96 41.99 2hdk s TYR 729 CO 0.26 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.86 2hdk n GLY 730 N 2.88 -1.52 0.15 8.97 0.00 -1.26 -1.33 105.19 113.08 2hdk n GLY 730 Ca -0.13 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.45 2hdk n GLY 730 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hdk h PRO 731 N 0.00 0.00 -0.54 1.61 0.13 -2.00 -2.88 132.00 128.32 2hdk h PRO 731 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2hdk h PRO 731 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2hdk h PRO 731 CO 0.00 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.37 2hdk n ASP 732 N -2.48 2.91 -3.79 1.44 5.75 -1.26 -4.98 116.55 114.14 2hdk n ASP 732 Ca 0.03 -2.03 -0.35 0.00 -0.01 0.00 0.00 54.79 52.43 2hdk n ASP 732 Cb 0.35 -0.37 0.03 0.00 -1.03 0.00 0.00 41.12 40.11 2hdk n ASP 732 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2hdk n HIS 733 N 1.02 -1.76 -2.33 2.11 8.25 -1.09 -3.98 115.22 117.44 2hdk n HIS 733 Ca 0.18 0.37 -0.41 0.00 -0.26 0.00 0.00 57.72 57.60 2hdk n HIS 733 Cb 0.47 -3.29 -0.03 0.00 1.12 0.00 0.00 29.99 28.26 2hdk n HIS 733 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2hdk s GLN 734 N -6.37 4.49 0.11 -0.41 -0.21 -0.44 -1.74 119.66 115.09 2hdk s GLN 734 Ca 0.46 1.95 -0.30 0.00 0.02 0.00 0.00 55.36 57.49 2hdk s GLN 734 Cb -0.19 -3.18 -0.06 0.00 1.00 0.00 0.00 33.01 30.58 2hdk s GLN 734 CO 0.89 -0.04 1.05 -0.51 -2.12 0.00 0.00 175.29 174.56 2hdk s LEU 735 N -0.90 4.46 0.08 2.90 1.43 0.13 -1.16 118.68 125.61 2hdk s LEU 735 Ca 0.50 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 2hdk s LEU 735 Cb -0.34 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2hdk s LEU 735 CO 0.41 -0.21 0.00 0.35 0.23 0.00 0.00 176.35 177.13 2hdk n THR 736 N 2.95 0.82 -4.08 5.49 -2.24 -0.46 -4.65 114.28 112.11 2hdk n THR 736 Ca 0.04 0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 62.00 2hdk n THR 736 Cb 0.48 -1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 67.25 2hdk n THR 736 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2hdk s GLU 737 N -1.70 0.58 -0.29 -0.78 2.02 -1.25 -4.15 118.70 113.13 2hdk s GLU 737 Ca 0.00 -1.06 -0.05 0.00 0.02 0.00 0.00 54.97 53.87 2hdk s GLU 737 Cb 0.00 0.05 0.02 0.00 0.10 0.00 0.00 34.13 34.30 2hdk s GLU 737 CO 0.00 -0.06 0.05 0.54 0.02 0.00 0.00 175.26 175.81 2hdk s VAL 738 N -3.05 3.68 0.00 2.63 0.11 0.35 -1.59 120.40 122.52 2hdk s VAL 738 Ca 0.01 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 2hdk s VAL 738 Cb 0.02 -2.93 0.00 0.00 -1.53 0.00 0.00 36.38 31.93 2hdk s VAL 738 CO -0.06 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.37 2hdk n GLY 739 N 4.81 3.80 2.08 6.54 0.00 0.66 -0.29 105.19 122.78 2hdk n GLY 739 Ca -0.14 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 2hdk n GLY 739 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hdk n THR 740 N 0.00 2.46 -4.28 2.61 -2.24 -1.26 -4.89 114.28 106.67 2hdk n THR 740 Ca 0.00 -4.18 -0.21 0.00 -2.27 0.00 0.00 64.05 57.38 2hdk n THR 740 Cb 0.00 -1.02 -0.12 0.00 -2.10 0.00 0.00 70.33 67.09 2hdk n THR 740 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2hdk s MET 741 N -3.61 1.13 0.42 -0.78 -1.94 0.60 -4.93 119.30 110.19 2hdk s MET 741 Ca 0.50 -1.25 -0.24 0.00 -1.71 0.00 0.00 55.69 52.99 2hdk s MET 741 Cb 0.41 -1.22 -0.08 0.00 2.01 0.00 0.00 34.83 35.94 2hdk s MET 741 CO 0.03 0.26 1.12 -0.80 -0.01 0.00 0.00 175.02 175.61 2hdk s ASN 742 N -2.27 6.51 -0.06 3.03 0.01 -0.21 -0.50 114.94 121.45 2hdk s ASN 742 Ca 0.09 2.20 -0.02 0.00 -0.71 0.00 0.00 52.86 54.42 2hdk s ASN 742 Cb -0.07 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 2hdk s ASN 742 CO 0.05 -0.68 0.05 -0.51 -1.51 0.00 0.00 177.10 174.50 2hdk s ILE 743 N -1.56 4.65 -0.02 0.60 2.07 -1.26 -0.66 121.20 125.02 2hdk s ILE 743 Ca 0.60 -0.23 0.03 0.00 -1.41 0.00 0.00 60.65 59.63 2hdk s ILE 743 Cb -0.26 -3.03 -0.00 0.00 0.13 0.00 0.00 42.46 39.30 2hdk s ILE 743 CO 0.32 0.52 -0.11 -0.36 -1.91 0.00 0.00 174.94 173.41 2hdk s PHE 744 N -1.02 1.07 -0.09 3.50 0.40 -0.13 -4.24 117.98 117.46 2hdk s PHE 744 Ca 0.17 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 2hdk s PHE 744 Cb -0.12 -0.74 0.01 0.00 0.51 0.00 0.00 43.02 42.68 2hdk s PHE 744 CO 0.07 -0.09 -0.20 0.08 0.70 0.00 0.00 175.22 175.78 2hdk s VAL 745 N 0.06 1.73 -0.26 -0.44 1.01 -0.70 -1.62 120.40 120.18 2hdk s VAL 745 Ca -0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 2hdk s VAL 745 Cb -0.08 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.80 2hdk s VAL 745 CO 0.00 0.49 -0.01 -0.47 0.00 0.00 0.00 175.10 175.11 2hdk s TYR 746 N 0.49 3.09 0.35 5.22 5.04 0.40 -1.83 117.35 130.11 2hdk s TYR 746 Ca -0.17 -1.33 -0.10 0.00 -2.44 0.00 0.00 57.07 53.03 2hdk s TYR 746 Cb -0.17 -2.13 0.04 0.00 0.35 0.00 0.00 41.96 40.05 2hdk s TYR 746 CO 0.06 -0.67 0.64 -2.67 -1.34 0.00 0.00 175.55 171.57 2hdk n TRP 747 N 4.74 -1.99 -3.55 4.97 2.14 -0.74 -0.92 117.44 122.08 2hdk n TRP 747 Ca -0.16 -1.81 -0.41 0.00 2.07 0.00 0.00 57.50 57.20 2hdk n TRP 747 Cb 0.47 0.74 -0.11 0.00 -0.81 0.00 0.00 31.31 31.61 2hdk n TRP 747 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 2hdk s THR 748 N -2.36 4.89 1.10 -1.67 2.01 -0.20 -0.51 115.64 118.90 2hdk s THR 748 Ca 0.18 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.36 2hdk s THR 748 Cb -0.03 -3.68 0.24 0.00 0.01 0.00 0.00 72.50 69.04 2hdk s THR 748 CO 0.13 -0.21 1.07 -2.28 -0.69 0.00 0.00 174.62 172.64 2hdk s HIS 749 N 1.62 1.60 0.65 4.92 2.46 0.53 -4.81 115.29 122.26 2hdk s HIS 749 Ca 0.04 0.95 0.37 0.00 0.47 0.00 0.00 55.06 56.89 2hdk s HIS 749 Cb -0.19 -3.22 2.02 0.00 -0.13 0.00 0.00 32.58 31.06 2hdk s HIS 749 CO 0.08 -3.42 2.18 0.93 -2.47 0.00 0.00 174.74 172.04 2hdk h GLU 750 N -2.28 0.00 -0.37 2.88 5.08 -1.98 -1.36 114.58 116.56 2hdk h GLU 750 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2hdk h GLU 750 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2hdk h GLU 750 CO 0.53 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.14 2hdk n ASP 751 N -3.19 1.94 -0.01 1.42 5.75 -1.26 -4.91 116.55 116.29 2hdk n ASP 751 Ca -0.02 -2.01 -0.00 0.00 -0.01 0.00 0.00 54.79 52.75 2hdk n ASP 751 Cb 0.21 -0.25 -0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2hdk n ASP 751 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hdk n GLY 752 N 1.04 0.44 3.82 6.12 0.00 -0.51 -5.04 105.19 111.06 2hdk n GLY 752 Ca 0.12 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2hdk n GLY 752 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hdk s VAL 753 N -1.87 5.42 0.03 1.61 1.01 -1.25 -4.85 120.40 120.50 2hdk s VAL 753 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2hdk s VAL 753 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2hdk s VAL 753 CO 0.00 0.56 1.13 -0.22 0.00 0.00 0.00 175.10 176.57 2hdk s LEU 754 N -0.54 4.36 0.10 3.92 2.96 -1.26 -0.35 118.68 127.87 2hdk s LEU 754 Ca 0.12 1.89 -0.15 0.00 -0.22 0.00 0.00 54.13 55.77 2hdk s LEU 754 Cb -0.12 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.03 2hdk s LEU 754 CO 0.02 -0.42 0.37 -1.83 -1.32 0.00 0.00 176.35 173.18 2hdk s GLU 755 N 1.16 1.01 -0.25 1.98 -1.05 0.33 -2.44 118.70 119.43 2hdk s GLU 755 Ca 0.56 -0.67 -0.04 0.00 -0.15 0.00 0.00 54.97 54.68 2hdk s GLU 755 Cb -0.26 0.44 0.01 0.00 -0.44 0.00 0.00 34.13 33.87 2hdk s GLU 755 CO 0.28 -0.38 -0.01 -1.17 0.95 0.00 0.00 175.26 174.94 2hdk s LEU 756 N -2.64 3.29 -0.02 1.83 2.96 0.33 -1.80 118.68 122.64 2hdk s LEU 756 Ca 0.01 -0.64 0.08 0.00 -0.22 0.00 0.00 54.13 53.36 2hdk s LEU 756 Cb 0.02 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 2hdk s LEU 756 CO -0.10 -0.11 -0.25 0.54 -1.32 0.00 0.00 176.35 175.11 2hdk s VAL 757 N 1.44 1.99 0.05 1.68 0.11 -0.76 -1.17 120.40 123.73 2hdk s VAL 757 Ca 0.03 -1.09 0.03 0.00 -2.93 0.00 0.00 61.98 58.02 2hdk s VAL 757 Cb -0.16 -1.65 -0.02 0.00 -1.53 0.00 0.00 36.38 33.02 2hdk s VAL 757 CO -0.02 0.55 -0.09 0.28 -3.33 0.00 0.00 175.10 172.49 2hdk s THR 758 N -0.60 0.69 0.47 5.04 -1.32 -0.92 -1.72 115.64 117.29 2hdk s THR 758 Ca 0.10 -1.10 -0.24 0.00 -1.21 0.00 0.00 61.69 59.24 2hdk s THR 758 Cb -0.10 -0.72 -0.07 0.00 -1.51 0.00 0.00 72.50 70.11 2hdk s THR 758 CO -0.01 -0.32 1.30 -2.84 -2.21 0.00 0.00 174.62 170.54 2hdk s PRO 759 N -1.56 3.59 0.75 7.08 0.02 -1.25 -1.33 135.00 142.31 2hdk s PRO 759 Ca -0.07 2.11 -0.11 0.00 0.02 0.00 0.00 61.00 62.94 2hdk s PRO 759 Cb -0.10 -2.48 0.04 0.00 0.02 0.00 0.00 34.50 31.99 2hdk s PRO 759 CO 0.01 -0.78 1.08 -1.25 -0.33 0.00 0.00 177.00 175.72 2hdk s PRO 760 N -2.62 2.49 -1.20 5.54 0.04 -1.26 -4.72 135.00 133.28 2hdk s PRO 760 Ca 0.64 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 62.40 2hdk s PRO 760 Cb -0.37 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 2hdk s PRO 760 CO 0.45 -1.41 1.82 -0.51 0.04 0.00 0.00 177.00 177.39 2hdk s LEU 761 N -5.73 3.42 0.00 -3.56 1.02 -1.26 -4.75 118.68 107.82 2hdk s LEU 761 Ca 0.60 -1.91 0.00 0.00 0.02 0.00 0.00 54.13 52.84 2hdk s LEU 761 Cb -0.15 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.48 2hdk s LEU 761 CO 0.55 -2.14 0.03 -0.46 0.02 0.00 0.00 176.35 174.35 2hdk n ASN 762 N 11.44 0.07 -0.04 2.29 0.23 -1.26 -4.96 115.26 123.02 2hdk n ASN 762 Ca 0.45 -1.05 0.00 0.00 -0.53 0.00 0.00 54.58 53.45 2hdk n ASN 762 Cb 0.47 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2hdk n ASN 762 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hdk n GLY 763 N 4.73 -0.65 0.00 4.83 0.00 -1.26 -3.40 105.19 109.43 2hdk n GLY 763 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2hdk n GLY 763 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hdk n VAL 764 N -0.45 0.00 -4.37 1.61 0.31 -1.26 -3.39 118.33 110.78 2hdk n VAL 764 Ca 0.00 -0.18 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 2hdk n VAL 764 Cb 0.02 0.67 -0.10 0.00 -0.91 0.00 0.00 33.84 33.52 2hdk n VAL 764 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2hdk s ILE 765 N -3.08 4.28 -0.02 2.52 -1.09 -1.22 -4.62 121.20 117.97 2hdk s ILE 765 Ca 0.02 -0.25 -0.29 0.00 -2.23 0.00 0.00 60.65 57.90 2hdk s ILE 765 Cb 0.14 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 38.19 2hdk s ILE 765 CO 0.84 0.59 0.95 -0.22 -1.23 0.00 0.00 174.94 175.87 2hdk s LEU 766 N -0.71 4.35 -1.14 2.97 1.98 -1.25 -4.31 118.68 120.57 2hdk s LEU 766 Ca 0.11 1.59 -0.22 0.00 -2.89 0.00 0.00 54.13 52.73 2hdk s LEU 766 Cb -0.12 -3.51 -0.03 0.00 0.66 0.00 0.00 46.19 43.19 2hdk s LEU 766 CO 0.02 -0.26 1.84 -2.84 -1.89 0.00 0.00 176.35 173.22 2hdk s PRO 767 N 1.08 2.98 0.35 0.98 0.02 -1.26 -4.94 135.00 134.21 2hdk s PRO 767 Ca 0.50 -1.18 -0.29 0.00 0.02 0.00 0.00 61.00 60.05 2hdk s PRO 767 Cb -0.20 -5.29 -0.11 0.00 0.02 0.00 0.00 34.50 28.91 2hdk s PRO 767 CO 0.26 -3.26 1.47 0.41 -0.33 0.00 0.00 177.00 175.55 2hdk n GLY 768 N 6.04 1.10 0.21 0.52 0.00 -1.26 -4.95 105.19 106.86 2hdk n GLY 768 Ca 0.44 0.35 -0.16 0.00 0.00 0.00 0.00 46.02 46.65 2hdk n GLY 768 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hdk h VAL 769 N 2.96 1.30 -0.33 1.61 2.07 -1.97 -2.30 116.25 119.60 2hdk h VAL 769 Ca -0.49 -2.05 -0.13 0.00 0.82 0.00 0.00 66.70 64.85 2hdk h VAL 769 Cb 1.25 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 2hdk h VAL 769 CO 0.67 0.64 -0.33 0.58 0.02 0.00 0.00 177.57 179.15 2hdk h VAL 770 N 0.46 1.28 -0.11 2.57 2.07 -1.92 -2.12 116.25 118.48 2hdk h VAL 770 Ca -0.06 -1.48 0.04 0.00 0.82 0.00 0.00 66.70 66.02 2hdk h VAL 770 Cb 1.42 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 32.53 2hdk h VAL 770 CO 0.16 0.48 -0.18 -0.09 0.02 0.00 0.00 177.57 177.96 2hdk h ARG 771 N 0.61 -0.22 -0.90 1.57 2.43 -1.88 0.86 114.38 116.84 2hdk h ARG 771 Ca 0.06 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2hdk h ARG 771 Cb 0.86 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 2hdk h ARG 771 CO 0.07 -0.15 0.52 0.37 -1.51 0.00 0.00 179.97 179.28 2hdk h GLN 772 N -0.23 1.23 -0.44 0.20 5.75 -1.32 -1.88 115.11 118.43 2hdk h GLN 772 Ca 0.09 -0.12 -0.10 0.00 -0.15 0.00 0.00 58.65 58.37 2hdk h GLN 772 Cb 0.36 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 2hdk h GLN 772 CO -0.25 0.88 -0.12 0.77 -2.65 0.00 0.00 178.83 177.46 2hdk h SER 773 N 1.25 0.80 -0.47 -0.69 0.02 -0.57 -0.26 113.55 113.62 2hdk h SER 773 Ca 0.32 -0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 2hdk h SER 773 Cb -0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2hdk h SER 773 CO -0.06 0.94 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.28 2hdk h LEU 774 N 0.73 1.01 -0.40 5.07 3.38 -0.57 -1.40 115.31 123.12 2hdk h LEU 774 Ca 0.12 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2hdk h LEU 774 Cb 0.62 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2hdk h LEU 774 CO 0.04 1.19 0.08 -0.07 0.09 0.00 0.00 178.44 179.77 2hdk h LEU 775 N 0.83 0.63 -0.39 1.67 3.38 -0.91 -0.67 115.31 119.85 2hdk h LEU 775 Ca 0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2hdk h LEU 775 Cb 0.80 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2hdk h LEU 775 CO 0.07 0.72 0.13 0.44 0.09 0.00 0.00 178.44 179.89 2hdk h ASP 776 N 0.52 0.56 -0.18 -0.43 3.45 -1.01 -1.58 116.42 117.74 2hdk h ASP 776 Ca 0.12 -0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.38 2hdk h ASP 776 Cb 0.35 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 2hdk h ASP 776 CO 0.01 0.60 0.05 -0.03 -1.57 0.00 0.00 179.24 178.30 2hdk h MET 777 N 0.49 0.28 -0.12 3.56 4.05 -1.16 -1.22 114.93 120.80 2hdk h MET 777 Ca 0.13 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 2hdk h MET 777 Cb 0.24 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 2hdk h MET 777 CO -0.01 0.40 -0.33 0.00 0.23 0.00 0.00 176.91 177.21 2hdk h ALA 778 N 0.87 1.23 -0.47 0.39 0.00 -1.05 -2.16 119.26 118.07 2hdk h ALA 778 Ca 0.06 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 2hdk h ALA 778 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2hdk h ALA 778 CO -0.00 0.52 -0.23 1.96 0.00 0.00 0.00 179.25 181.49 2hdk h GLN 779 N 0.20 0.97 -0.74 0.00 4.20 -1.10 -2.99 115.11 115.65 2hdk h GLN 779 Ca 0.03 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 2hdk h GLN 779 Cb 0.68 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 2hdk h GLN 779 CO 0.05 1.09 0.44 1.15 -0.67 0.00 0.00 178.83 180.90 2hdk h THR 780 N 0.83 1.21 0.08 -0.54 2.02 -0.58 -2.64 112.91 113.29 2hdk h THR 780 Ca 0.10 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2hdk h THR 780 Cb 0.81 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2hdk h THR 780 CO 0.07 0.22 -0.04 -0.50 0.37 0.00 0.00 175.52 175.64 2hdk h TRP 781 N 1.02 -0.10 -1.37 3.16 6.55 -1.34 -3.47 115.95 120.40 2hdk h TRP 781 Ca 0.27 -0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.99 2hdk h TRP 781 Cb -0.04 0.03 0.01 0.00 -0.86 0.00 0.00 29.16 28.31 2hdk h TRP 781 CO 0.00 0.21 -0.17 0.41 -1.05 0.00 0.00 178.44 177.85 2hdk n GLY 782 N -0.30 0.26 0.07 1.49 0.00 -1.00 -4.96 105.19 100.77 2hdk n GLY 782 Ca -0.08 -0.56 0.02 0.00 0.00 0.00 0.00 46.02 45.40 2hdk n GLY 782 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hdk n GLU 783 N -1.64 0.64 -3.95 1.61 1.02 -1.26 -5.01 120.64 112.06 2hdk n GLU 783 Ca -0.05 0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2hdk n GLU 783 Cb 0.54 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.24 2hdk n GLU 783 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2hdk s PHE 784 N -3.05 0.30 0.09 -0.32 -0.71 -1.26 -5.08 117.98 107.95 2hdk s PHE 784 Ca -0.06 -0.65 -0.30 0.00 -1.04 0.00 0.00 56.93 54.88 2hdk s PHE 784 Cb 0.10 0.17 -0.06 0.00 -1.21 0.00 0.00 43.02 42.01 2hdk s PHE 784 CO 0.84 -0.92 1.17 0.50 -1.34 0.00 0.00 175.22 175.47 2hdk s ARG 785 N -3.98 4.48 -0.21 1.99 3.52 -1.02 -4.91 118.95 118.81 2hdk s ARG 785 Ca 0.19 1.75 -0.00 0.00 -0.13 0.00 0.00 55.73 57.54 2hdk s ARG 785 Cb 0.00 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 2hdk s ARG 785 CO 0.05 -0.17 -0.13 0.08 -0.81 0.00 0.00 175.30 174.32 2hdk s VAL 786 N 0.69 2.49 0.01 7.11 1.01 -1.26 -0.51 120.40 129.94 2hdk s VAL 786 Ca 0.56 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2hdk s VAL 786 Cb -0.29 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 2hdk s VAL 786 CO 0.31 0.39 -0.01 0.54 0.00 0.00 0.00 175.10 176.33 2hdk s VAL 787 N 1.32 0.05 -0.25 2.92 0.11 -0.32 -5.00 120.40 119.22 2hdk s VAL 787 Ca 0.03 -0.39 -0.07 0.00 -2.93 0.00 0.00 61.98 58.62 2hdk s VAL 787 Cb -0.15 -0.12 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 2hdk s VAL 787 CO -0.09 -0.21 0.06 -1.61 -3.33 0.00 0.00 175.10 169.92 2hdk s GLU 788 N -0.63 3.61 0.00 1.54 2.02 -1.26 -2.15 118.70 121.83 2hdk s GLU 788 Ca -0.07 -0.50 -0.27 0.00 0.02 0.00 0.00 54.97 54.15 2hdk s GLU 788 Cb -0.04 -3.31 0.06 0.00 0.10 0.00 0.00 34.13 30.94 2hdk s GLU 788 CO -0.00 -0.20 0.61 0.50 0.02 0.00 0.00 175.26 176.19 2hdk s ARG 789 N 1.60 1.06 0.51 1.61 3.52 -0.44 -4.71 118.95 122.11 2hdk s ARG 789 Ca 0.06 0.03 -0.21 0.00 -0.13 0.00 0.00 55.73 55.49 2hdk s ARG 789 Cb -0.15 0.49 -0.07 0.00 -1.56 0.00 0.00 34.95 33.67 2hdk s ARG 789 CO 0.03 -0.36 1.13 0.95 -0.81 0.00 0.00 175.30 176.24 2hdk s THR 790 N -1.80 3.21 -0.06 4.11 -4.23 -1.26 -3.91 115.64 111.70 2hdk s THR 790 Ca -0.08 0.80 0.04 0.00 -1.18 0.00 0.00 61.69 61.26 2hdk s THR 790 Cb -0.01 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2hdk s THR 790 CO 0.04 -0.12 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.21 2hdk s ILE 791 N -1.72 1.42 0.20 2.99 1.01 -1.26 -5.02 121.20 118.82 2hdk s ILE 791 Ca 0.69 -0.69 0.09 0.00 0.00 0.00 0.00 60.65 60.75 2hdk s ILE 791 Cb -0.25 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 2hdk s ILE 791 CO 0.29 0.41 -0.08 0.42 0.00 0.00 0.00 174.94 175.98 2hdk s THR 792 N 0.23 3.23 0.36 2.92 -4.23 -1.26 -0.70 115.64 116.19 2hdk s THR 792 Ca -0.08 -1.71 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 2hdk s THR 792 Cb -0.13 -2.62 0.29 0.00 1.34 0.00 0.00 72.50 71.38 2hdk s THR 792 CO 0.03 -0.16 1.95 0.24 -0.54 0.00 0.00 174.62 176.15 2hdk h MET 793 N 2.73 0.75 -0.32 3.99 2.86 -1.47 -2.09 114.93 121.38 2hdk h MET 793 Ca -0.46 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 2hdk h MET 793 Cb 1.21 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 2hdk h MET 793 CO 0.55 0.50 0.21 -0.22 1.06 0.00 0.00 176.91 179.01 2hdk h LYS 794 N 0.77 0.41 -0.45 1.72 3.64 -1.86 -0.20 116.57 120.61 2hdk h LYS 794 Ca 0.32 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 2hdk h LYS 794 Cb 0.27 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2hdk h LYS 794 CO -0.11 0.27 -0.01 1.96 -2.27 0.00 0.00 179.45 179.29 2hdk h GLN 795 N 0.43 0.74 -0.13 1.90 4.20 -1.79 -2.45 115.11 118.00 2hdk h GLN 795 Ca 0.12 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 2hdk h GLN 795 Cb -0.05 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2hdk h GLN 795 CO -0.03 0.76 -0.32 1.25 -0.67 0.00 0.00 178.83 179.82 2hdk h LEU 796 N 0.69 0.51 -0.38 1.46 5.85 -0.94 -2.48 115.31 120.03 2hdk h LEU 796 Ca 0.14 -0.58 0.06 0.00 0.84 0.00 0.00 57.88 58.34 2hdk h LEU 796 Cb 0.44 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2hdk h LEU 796 CO 0.02 1.00 0.07 -0.07 -0.34 0.00 0.00 178.44 179.12 2hdk h LEU 797 N 0.05 -0.01 -0.01 2.25 3.38 -0.99 -1.45 115.31 118.54 2hdk h LEU 797 Ca -0.00 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2hdk h LEU 797 Cb 0.93 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2hdk h LEU 797 CO 0.07 0.03 0.00 -0.09 0.09 0.00 0.00 178.44 178.55 2hdk h ARG 798 N 0.19 0.01 0.00 1.13 2.43 -1.44 -2.21 114.38 114.49 2hdk h ARG 798 Ca 0.18 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2hdk h ARG 798 Cb 0.22 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2hdk h ARG 798 CO -0.25 0.07 -0.10 0.00 -1.51 0.00 0.00 179.97 178.18 2hdk h ALA 799 N 0.94 1.46 -0.04 2.80 0.00 -1.16 -0.69 119.26 122.56 2hdk h ALA 799 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 2hdk h ALA 799 Cb 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2hdk h ALA 799 CO -0.00 0.12 -0.72 -0.07 0.00 0.00 0.00 179.25 178.58 2hdk h LEU 800 N 0.00 0.71 -1.34 0.00 3.38 -0.91 0.33 115.31 117.48 2hdk h LEU 800 Ca -0.00 -0.71 -0.07 0.00 0.09 0.00 0.00 57.88 57.19 2hdk h LEU 800 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2hdk h LEU 800 CO 0.01 1.32 -0.28 -0.33 0.09 0.00 0.00 178.44 179.25 2hdk h GLU 801 N 0.17 0.07 -0.00 1.13 5.08 -0.85 -2.26 114.58 117.91 2hdk h GLU 801 Ca -0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2hdk h GLU 801 Cb 1.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2hdk h GLU 801 CO 0.14 0.35 -0.38 0.39 -1.00 0.00 0.00 179.01 178.52 2hdk n GLU 802 N -4.18 0.43 -1.46 2.33 1.02 -0.32 -4.95 120.64 113.51 2hdk n GLU 802 Ca -0.02 -0.25 -0.08 0.00 -0.02 0.00 0.00 57.16 56.79 2hdk n GLU 802 Cb 0.35 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 2hdk n GLU 802 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hdk n GLY 803 N 1.42 0.74 0.07 0.62 0.00 -0.62 -4.92 105.19 102.50 2hdk n GLY 803 Ca 0.09 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.57 2hdk n GLY 803 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hdk n ARG 804 N -2.51 0.29 -3.23 1.61 1.74 0.11 -4.84 116.66 109.83 2hdk n ARG 804 Ca -0.08 -0.15 -0.38 0.00 -0.77 0.00 0.00 57.85 56.47 2hdk n ARG 804 Cb 0.33 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.22 2hdk n ARG 804 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2hdk s VAL 805 N -2.81 5.13 -0.17 1.55 1.01 -1.21 -1.03 120.40 122.87 2hdk s VAL 805 Ca 0.17 1.12 -0.15 0.00 0.00 0.00 0.00 61.98 63.12 2hdk s VAL 805 Cb 0.18 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 2hdk s VAL 805 CO 0.61 0.31 -0.31 0.54 0.00 0.00 0.00 175.10 176.25 2hdk n ARG 806 N 3.65 0.48 -3.80 2.72 1.74 -0.10 -4.74 116.66 116.61 2hdk n ARG 806 Ca -0.05 0.20 -0.14 0.00 -0.77 0.00 0.00 57.85 57.09 2hdk n ARG 806 Cb 0.51 -1.33 -0.15 0.00 -1.02 0.00 0.00 32.46 30.48 2hdk n ARG 806 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2hdk s GLU 807 N -2.70 0.02 -0.05 5.56 2.02 -0.91 -3.25 118.70 119.39 2hdk s GLU 807 Ca -0.28 0.17 0.06 0.00 0.02 0.00 0.00 54.97 54.95 2hdk s GLU 807 Cb 0.06 -0.13 -0.02 0.00 0.10 0.00 0.00 34.13 34.14 2hdk s GLU 807 CO 0.39 -0.10 -0.24 0.08 0.02 0.00 0.00 175.26 175.41 2hdk s VAL 808 N 0.68 2.19 0.16 2.63 1.01 -1.26 -0.46 120.40 125.36 2hdk s VAL 808 Ca -0.06 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 60.69 2hdk s VAL 808 Cb -0.08 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.56 2hdk s VAL 808 CO -0.02 0.57 0.53 0.72 0.00 0.00 0.00 175.10 176.90 2hdk s PHE 809 N -0.35 -0.37 0.17 5.22 -0.71 -0.64 -1.07 117.98 120.24 2hdk s PHE 809 Ca 0.02 0.10 0.06 0.00 -1.04 0.00 0.00 56.93 56.07 2hdk s PHE 809 Cb -0.12 0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 2hdk s PHE 809 CO 0.02 -0.83 0.06 0.20 -1.34 0.00 0.00 175.22 173.33 2hdk s GLY 810 N -2.79 1.73 0.02 1.99 0.00 0.34 -0.96 107.32 107.66 2hdk s GLY 810 Ca 0.03 -1.30 0.03 0.00 0.00 0.00 0.00 44.72 43.49 2hdk s GLY 810 CO -0.11 -1.31 -0.11 -1.35 0.00 0.00 0.00 173.10 170.23 2hdk s SER 811 N -2.99 1.23 0.00 1.64 1.04 0.16 -0.50 113.70 114.29 2hdk s SER 811 Ca 0.29 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2hdk s SER 811 Cb -0.10 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2hdk s SER 811 CO 0.21 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.04 2hdk n GLY 812 N 2.15 0.43 0.24 7.32 0.00 -1.05 -1.05 105.19 113.24 2hdk n GLY 812 Ca -0.17 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 2hdk n GLY 812 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hdk h THR 813 N 0.03 1.21 0.34 2.61 2.02 -1.91 0.59 112.91 117.81 2hdk h THR 813 Ca 0.00 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.55 2hdk h THR 813 Cb 0.00 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2hdk h THR 813 CO 0.00 0.24 -0.17 0.00 0.37 0.00 0.00 175.52 175.97 2hdk h ALA 814 N 1.08 -0.46 0.00 6.16 0.00 -1.96 -3.28 119.26 120.80 2hdk h ALA 814 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2hdk h ALA 814 Cb 0.15 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2hdk h ALA 814 CO -0.02 -0.76 -1.17 0.00 0.00 0.00 0.00 179.25 177.30 2hdk n ALA 815 N -2.29 2.50 -0.25 0.00 0.00 -1.24 -4.79 120.51 114.43 2hdk n ALA 815 Ca -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2hdk n ALA 815 Cb 0.21 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2hdk n ALA 815 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2hdk n GLN 816 N -2.65 0.00 -3.83 0.00 1.13 0.20 -4.59 117.38 107.64 2hdk n GLN 816 Ca -0.02 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.79 2hdk n GLN 816 Cb 0.58 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.76 2hdk n GLN 816 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2hdk s VAL 817 N 0.00 0.71 -0.28 5.09 1.01 -1.26 -2.53 120.40 123.13 2hdk s VAL 817 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 2hdk s VAL 817 Cb 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.60 2hdk s VAL 817 CO 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 175.10 175.35 2hdk s ALA 818 N 1.83 2.76 0.58 5.51 0.00 0.35 -4.94 121.76 127.85 2hdk s ALA 818 Ca 0.04 -1.70 -0.19 0.00 0.00 0.00 0.00 51.96 50.12 2hdk s ALA 818 Cb -0.13 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 2hdk s ALA 818 CO -0.07 -1.17 1.18 -1.25 0.00 0.00 0.00 175.76 174.46 2hdk s PRO 819 N 1.25 3.08 -0.08 0.00 0.04 -1.26 -0.50 135.00 137.53 2hdk s PRO 819 Ca -0.05 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.79 2hdk s PRO 819 Cb -0.19 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2hdk s PRO 819 CO -0.02 -1.10 -0.20 0.08 0.04 0.00 0.00 177.00 175.80 2hdk s VAL 820 N -1.65 2.50 0.00 -0.36 1.01 -0.23 -1.89 120.40 119.78 2hdk s VAL 820 Ca 0.76 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2hdk s VAL 820 Cb -0.28 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2hdk s VAL 820 CO 0.31 0.56 0.00 0.00 0.00 0.00 0.00 175.10 175.97 2hdk n HIS 821 N 3.04 0.00 -3.83 5.22 1.44 -1.00 -4.38 115.22 115.71 2hdk n HIS 821 Ca -0.18 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.41 2hdk n HIS 821 Cb 0.52 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.50 2hdk n HIS 821 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2hdk s ARG 822 N -1.91 0.12 -0.10 -1.40 3.52 -1.25 0.33 118.95 118.26 2hdk s ARG 822 Ca 0.00 0.16 0.02 0.00 -0.13 0.00 0.00 55.73 55.78 2hdk s ARG 822 Cb 0.00 0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.44 2hdk s ARG 822 CO 0.00 -0.03 -0.16 0.42 -0.81 0.00 0.00 175.30 174.73 2hdk s ILE 823 N 0.14 1.51 -0.33 4.11 1.01 -0.29 -0.75 121.20 126.61 2hdk s ILE 823 Ca -0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 2hdk s ILE 823 Cb -0.02 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 2hdk s ILE 823 CO -0.00 0.44 0.31 -0.22 0.00 0.00 0.00 174.94 175.47 2hdk s LEU 824 N 0.89 4.41 -0.04 2.97 2.96 0.56 -1.13 118.68 129.29 2hdk s LEU 824 Ca -0.09 -0.24 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2hdk s LEU 824 Cb -0.15 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.31 2hdk s LEU 824 CO -0.00 -0.27 0.01 -0.47 -1.32 0.00 0.00 176.35 174.30 2hdk s TYR 825 N 1.90 0.30 -1.45 5.38 6.14 -0.62 -0.74 117.35 128.26 2hdk s TYR 825 Ca 0.10 0.03 -0.02 0.00 0.64 0.00 0.00 57.07 57.81 2hdk s TYR 825 Cb -0.17 -0.46 0.00 0.00 0.42 0.00 0.00 41.96 41.75 2hdk s TYR 825 CO 0.11 -0.16 0.25 1.63 0.64 0.00 0.00 175.55 178.02 2hdk n LYS 826 N 4.46 -2.05 -0.75 4.97 5.02 -1.26 -1.32 118.16 127.24 2hdk n LYS 826 Ca -0.20 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2hdk n LYS 826 Cb 0.50 -4.01 0.00 0.00 -0.02 0.00 0.00 35.03 31.50 2hdk n LYS 826 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2hdk n ASP 827 N -2.90 -1.09 -4.73 4.39 8.00 -1.26 -4.99 116.55 113.97 2hdk n ASP 827 Ca -0.31 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.84 2hdk n ASP 827 Cb 0.68 -1.81 -0.08 0.00 -0.02 0.00 0.00 41.12 39.89 2hdk n ASP 827 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2hdk s ARG 828 N -0.79 3.31 0.01 -1.24 1.81 -0.43 -5.10 118.95 116.53 2hdk s ARG 828 Ca 0.00 -0.31 -0.24 0.00 -1.72 0.00 0.00 55.73 53.46 2hdk s ARG 828 Cb 0.00 -2.99 -0.05 0.00 -0.45 0.00 0.00 34.95 31.46 2hdk s ARG 828 CO 0.00 0.64 0.73 -0.80 -0.68 0.00 0.00 175.30 175.19 2hdk s ASN 829 N -0.68 7.13 -0.20 0.23 0.01 -1.26 -1.60 114.94 118.57 2hdk s ASN 829 Ca 0.12 1.35 0.01 0.00 -0.71 0.00 0.00 52.86 53.63 2hdk s ASN 829 Cb -0.12 -2.44 0.04 0.00 0.41 0.00 0.00 41.25 39.14 2hdk s ASN 829 CO 0.02 -0.00 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.72 2hdk s LEU 830 N 0.12 2.44 -0.06 0.60 1.43 -0.29 -5.00 118.68 117.92 2hdk s LEU 830 Ca 0.37 -0.91 -0.25 0.00 -1.03 0.00 0.00 54.13 52.31 2hdk s LEU 830 Cb -0.20 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 2hdk s LEU 830 CO 0.21 -0.12 0.78 -2.28 0.23 0.00 0.00 176.35 175.18 2hdk s HIS 831 N 1.32 3.58 -0.22 0.29 5.65 -1.26 -1.13 115.29 123.52 2hdk s HIS 831 Ca -0.01 1.36 -0.05 0.00 0.25 0.00 0.00 55.06 56.61 2hdk s HIS 831 Cb -0.16 -2.90 -0.02 0.00 -1.18 0.00 0.00 32.58 28.31 2hdk s HIS 831 CO -0.09 0.03 0.01 0.42 -0.65 0.00 0.00 174.74 174.46 2hdk s ILE 832 N 0.99 3.89 -0.23 0.89 -1.09 0.15 -4.98 121.20 120.82 2hdk s ILE 832 Ca 0.41 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 2hdk s ILE 832 Cb -0.18 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 2hdk s ILE 832 CO 0.20 0.40 0.71 -0.81 -1.23 0.00 0.00 174.94 174.21 2hdk n PRO 833 N 4.59 0.80 -0.08 2.79 -0.04 -1.26 -4.50 135.00 137.30 2hdk n PRO 833 Ca -0.17 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.21 2hdk n PRO 833 Cb 0.51 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.79 2hdk n PRO 833 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2hdk h THR 834 N 0.16 0.36 -0.56 0.52 2.02 -1.75 -1.84 112.91 111.81 2hdk h THR 834 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2hdk h THR 834 Cb 0.71 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2hdk h THR 834 CO 0.00 0.00 -0.09 0.24 0.37 0.00 0.00 175.52 176.04 2hdk h MET 835 N -0.22 1.05 0.00 6.66 2.86 -1.86 -2.63 114.93 120.79 2hdk h MET 835 Ca 0.16 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2hdk h MET 835 Cb 0.47 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2hdk h MET 835 CO -0.44 1.08 0.00 0.93 1.06 0.00 0.00 176.91 179.54 2hdk h GLU 836 N 0.94 0.00 -0.58 1.72 3.07 -1.79 -2.21 114.58 115.72 2hdk h GLU 836 Ca 0.15 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.92 2hdk h GLU 836 Cb 0.66 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.52 2hdk h GLU 836 CO 0.05 0.00 0.10 0.09 -1.40 0.00 0.00 179.01 177.84 2hdk n ASN 837 N -2.42 5.02 0.00 1.42 3.02 -0.73 -4.98 115.26 116.58 2hdk n ASN 837 Ca 0.00 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 2hdk n ASN 837 Cb 0.15 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 2hdk n ASN 837 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hdk n GLY 838 N 0.09 2.14 3.58 7.41 0.00 -0.83 -0.88 105.19 116.70 2hdk n GLY 838 Ca 0.32 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2hdk n GLY 838 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hdk s PRO 839 N 0.00 3.35 0.12 1.61 0.04 -1.25 -4.92 135.00 133.96 2hdk s PRO 839 Ca 0.00 0.53 -0.26 0.00 0.04 0.00 0.00 61.00 61.31 2hdk s PRO 839 Cb 0.00 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.38 2hdk s PRO 839 CO 0.00 -1.87 1.63 1.49 0.04 0.00 0.00 177.00 178.30 2hdk h GLU 840 N 10.97 -0.39 -0.68 4.56 4.81 -1.28 -1.18 114.58 131.38 2hdk h GLU 840 Ca -0.27 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.92 2hdk h GLU 840 Cb 1.09 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 2hdk h GLU 840 CO 1.16 -0.26 0.14 1.25 -0.73 0.00 0.00 179.01 180.57 2hdk h LEU 841 N -0.41 1.05 0.09 1.64 5.85 -1.98 -2.27 115.31 119.29 2hdk h LEU 841 Ca 0.06 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2hdk h LEU 841 Cb 0.49 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2hdk h LEU 841 CO -0.22 1.03 -0.04 0.40 -0.34 0.00 0.00 178.44 179.26 2hdk h ILE 842 N 1.04 0.97 -0.61 4.05 2.04 -1.95 -0.20 117.51 122.85 2hdk h ILE 842 Ca 0.21 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2hdk h ILE 842 Cb 0.41 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2hdk h ILE 842 CO 0.01 0.05 0.40 -0.07 0.00 0.00 0.00 178.15 178.54 2hdk h LEU 843 N -0.21 0.63 -0.42 1.44 3.38 -1.16 0.02 115.31 118.99 2hdk h LEU 843 Ca -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2hdk h LEU 843 Cb 0.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2hdk h LEU 843 CO 0.02 0.44 0.05 -0.09 0.09 0.00 0.00 178.44 178.95 2hdk h ARG 844 N 0.74 0.71 -0.53 1.13 2.43 -0.78 -0.80 114.38 117.28 2hdk h ARG 844 Ca 0.24 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2hdk h ARG 844 Cb 0.05 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2hdk h ARG 844 CO -0.06 0.76 0.20 0.74 -1.51 0.00 0.00 179.97 180.10 2hdk h PHE 845 N 0.56 0.82 -0.72 2.20 0.05 -0.25 -1.54 116.94 118.06 2hdk h PHE 845 Ca 0.13 -0.07 0.01 0.00 3.82 0.00 0.00 57.97 61.86 2hdk h PHE 845 Cb 0.40 -0.24 -0.04 0.00 2.00 0.00 0.00 35.95 38.07 2hdk h PHE 845 CO 0.03 0.68 0.47 1.96 -0.18 0.00 0.00 178.31 181.27 2hdk h GLN 846 N 0.72 0.94 0.09 1.51 4.20 -0.72 -1.10 115.11 120.75 2hdk h GLN 846 Ca 0.18 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2hdk h GLN 846 Cb 0.21 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2hdk h GLN 846 CO -0.01 0.62 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.50 2hdk h LYS 847 N 0.97 -0.12 -0.09 1.46 3.64 -0.81 -2.11 116.57 119.52 2hdk h LYS 847 Ca 0.26 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 2hdk h LYS 847 Cb -0.11 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2hdk h LYS 847 CO -0.06 0.07 -0.30 0.93 -2.27 0.00 0.00 179.45 177.82 2hdk h GLU 848 N -0.28 0.16 -0.20 1.90 5.08 -0.94 -2.05 114.58 118.24 2hdk h GLU 848 Ca -0.01 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2hdk h GLU 848 Cb 0.24 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2hdk h GLU 848 CO 0.02 0.45 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.26 2hdk h LEU 849 N 0.14 0.48 -1.31 1.33 3.38 -1.11 -2.56 115.31 115.67 2hdk h LEU 849 Ca 0.02 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.57 2hdk h LEU 849 Cb 0.60 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2hdk h LEU 849 CO 0.04 0.83 0.48 0.11 0.09 0.00 0.00 178.44 180.00 2hdk h LYS 850 N 0.14 0.89 -0.46 1.13 1.57 -1.10 0.49 116.57 119.23 2hdk h LYS 850 Ca 0.04 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2hdk h LYS 850 Cb 0.67 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2hdk h LYS 850 CO 0.04 0.59 -0.19 0.93 -0.57 0.00 0.00 179.45 180.25 2hdk h GLU 851 N 0.92 0.92 0.02 3.15 5.08 -1.24 -0.53 114.58 122.89 2hdk h GLU 851 Ca 0.28 -0.37 -0.26 0.00 -1.00 0.00 0.00 59.36 58.01 2hdk h GLU 851 Cb -0.00 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.23 2hdk h GLU 851 CO -0.08 1.02 -1.04 0.82 -1.00 0.00 0.00 179.01 178.74 2hdk h ILE 852 N 0.80 1.30 -0.44 3.13 2.04 -0.84 -1.73 117.51 121.76 2hdk h ILE 852 Ca 0.11 -2.27 -0.13 0.00 1.00 0.00 0.00 64.86 63.58 2hdk h ILE 852 Cb 0.74 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 2hdk h ILE 852 CO 0.06 0.70 -0.22 1.56 0.00 0.00 0.00 178.15 180.24 2hdk h GLN 853 N 0.32 0.91 -0.64 2.37 4.20 0.05 -3.00 115.11 119.32 2hdk h GLN 853 Ca -0.14 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2hdk h GLN 853 Cb 1.70 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.45 2hdk h GLN 853 CO 0.20 1.03 0.00 0.66 -0.67 0.00 0.00 178.83 180.06 2hdk n TYR 854 N -4.11 1.66 -1.21 2.96 4.02 -0.22 -4.71 117.16 115.55 2hdk n TYR 854 Ca 0.00 -0.59 -0.07 0.00 -0.01 0.00 0.00 57.90 57.23 2hdk n TYR 854 Cb 0.45 -0.39 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 2hdk n TYR 854 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hdk n GLY 855 N 0.66 0.77 0.28 2.72 0.00 -1.13 -3.76 105.19 104.73 2hdk n GLY 855 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2hdk n GLY 855 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hdk h ILE 856 N 0.00 1.19 -3.59 -0.61 2.04 -1.60 -3.41 117.51 111.53 2hdk h ILE 856 Ca -0.15 -0.70 -0.50 0.00 1.00 0.00 0.00 64.86 64.51 2hdk h ILE 856 Cb 0.96 0.84 -0.33 0.00 -0.74 0.00 0.00 36.82 37.56 2hdk h ILE 856 CO 0.22 0.25 -0.81 -0.60 0.00 0.00 0.00 178.15 177.20 2hdk s ARG 857 N -5.08 1.55 0.22 2.37 3.52 -0.97 -5.05 118.95 115.51 2hdk s ARG 857 Ca -0.08 -0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 2hdk s ARG 857 Cb 0.16 -1.32 -0.08 0.00 -1.56 0.00 0.00 34.95 32.14 2hdk s ARG 857 CO 0.76 0.08 1.10 0.00 -0.81 0.00 0.00 175.30 176.44 2hdk s ALA 858 N 0.46 3.39 -0.01 6.12 0.00 -1.26 -4.46 121.76 126.00 2hdk s ALA 858 Ca -0.10 0.85 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 2hdk s ALA 858 Cb -0.14 -3.34 0.04 0.00 0.00 0.00 0.00 23.12 19.68 2hdk s ALA 858 CO 0.03 -0.19 0.46 -1.58 0.00 0.00 0.00 175.76 174.48 2hdk s HIS 859 N -0.58 -0.37 -1.76 0.00 2.46 -1.26 -5.05 115.29 108.73 2hdk s HIS 859 Ca 0.48 0.55 0.29 0.00 0.47 0.00 0.00 55.06 56.85 2hdk s HIS 859 Cb -0.30 0.23 1.61 0.00 -0.13 0.00 0.00 32.58 33.99 2hdk s HIS 859 CO 0.37 -0.51 2.04 -0.85 -2.47 0.00 0.00 174.74 173.32 2hdk n GLU 860 N 0.97 0.70 0.24 2.88 0.00 -1.26 -2.92 120.64 121.25 2hdk n GLU 860 Ca -0.20 0.01 0.13 0.00 0.00 0.00 0.00 57.16 57.10 2hdk n GLU 860 Cb 0.57 -1.50 0.39 0.00 0.00 0.00 0.00 31.44 30.90 2hdk n GLU 860 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.13 175.64 2hdk h TRP 861 N 0.00 0.00 -3.22 -1.84 6.55 -1.96 -3.44 115.95 112.04 2hdk h TRP 861 Ca 0.00 0.00 -0.59 0.00 0.95 0.00 0.00 58.89 59.25 2hdk h TRP 861 Cb 0.11 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 28.34 2hdk h TRP 861 CO 0.00 0.04 -0.18 -1.64 -1.05 0.00 0.00 178.44 175.61 2hdk s MET 862 N -3.41 4.19 -0.25 0.49 -1.94 -1.15 -1.46 119.30 115.76 2hdk s MET 862 Ca 0.04 0.40 -0.08 0.00 -1.71 0.00 0.00 55.69 54.34 2hdk s MET 862 Cb 0.07 -3.36 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 2hdk s MET 862 CO 0.62 0.36 0.09 0.12 -0.01 0.00 0.00 175.02 176.20 2hdk s PHE 863 N -0.02 3.11 0.23 -0.03 5.36 0.63 -4.91 117.98 122.34 2hdk s PHE 863 Ca 0.24 -0.34 -0.29 0.00 -0.96 0.00 0.00 56.93 55.59 2hdk s PHE 863 Cb -0.15 -2.26 -0.09 0.00 -0.34 0.00 0.00 43.02 40.18 2hdk s PHE 863 CO 0.11 -0.33 0.90 -1.25 -1.46 0.00 0.00 175.22 173.19 2hdk s PRO 864 N 1.64 4.78 0.00 10.12 0.04 -1.26 0.21 135.00 150.53 2hdk s PRO 864 Ca 0.06 1.41 0.28 0.00 0.04 0.00 0.00 61.00 62.79 2hdk s PRO 864 Cb -0.15 -3.26 1.08 0.00 0.04 0.00 0.00 34.50 32.21 2hdk s PRO 864 CO 0.05 0.52 1.76 0.28 0.04 0.00 0.00 177.00 179.65