#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnm s GLU 525 N 0.00 2.72 -0.21 1.96 4.04 -1.26 -5.12 118.70 120.83 2pnm s GLU 525 Ca 0.00 -1.28 0.01 0.00 0.04 0.00 0.00 54.97 53.74 2pnm s GLU 525 Cb 0.00 -2.46 0.05 0.00 0.02 0.00 0.00 34.13 31.74 2pnm s GLU 525 CO 0.00 0.15 -0.08 0.45 -1.84 0.00 0.00 175.26 173.94 2pnm s SER 526 N -3.95 3.49 0.32 0.83 0.15 -1.26 -3.95 113.70 109.33 2pnm s SER 526 Ca 0.39 -0.96 -0.29 0.00 0.70 0.00 0.00 55.95 55.79 2pnm s SER 526 Cb -0.06 -1.18 -0.12 0.00 -1.71 0.00 0.00 66.02 62.95 2pnm s SER 526 CO 0.26 -0.18 1.39 0.00 1.20 0.00 0.00 173.24 175.90 2pnm n ALA 527 N 4.70 1.63 -2.51 5.45 0.00 0.11 -4.96 120.51 124.93 2pnm n ALA 527 Ca -0.13 0.37 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 2pnm n ALA 527 Cb 0.46 -2.32 -0.08 0.00 0.00 0.00 0.00 19.45 17.51 2pnm n ALA 527 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2pnm s ASN 528 N -0.07 6.25 0.12 0.00 3.04 -1.26 -4.93 114.94 118.09 2pnm s ASN 528 Ca 0.58 -0.45 -0.08 0.00 0.04 0.00 0.00 52.86 52.95 2pnm s ASN 528 Cb -0.56 -2.26 -0.01 0.00 -1.54 0.00 0.00 41.25 36.88 2pnm s ASN 528 CO 0.59 -0.62 0.21 -0.72 -3.04 0.00 0.00 177.10 173.51 2pnm s TYR 529 N 2.40 0.31 -0.24 0.43 -0.85 -1.26 -5.09 117.35 113.05 2pnm s TYR 529 Ca 0.16 -0.72 -0.15 0.00 -0.52 0.00 0.00 57.07 55.85 2pnm s TYR 529 Cb -0.16 -0.10 -0.16 0.00 0.38 0.00 0.00 41.96 41.92 2pnm s TYR 529 CO 0.15 -0.60 -0.07 0.39 -1.52 0.00 0.00 175.55 173.90 2pnm n GLU 530 N -0.11 0.60 -3.63 -3.49 -0.58 -1.26 -4.78 120.64 107.39 2pnm n GLU 530 Ca -0.11 0.37 -0.10 0.00 -0.42 0.00 0.00 57.16 56.89 2pnm n GLU 530 Cb 0.63 -1.61 -0.04 0.00 -0.57 0.00 0.00 31.44 29.85 2pnm n GLU 530 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2pnm s GLU 531 N -2.46 1.16 -0.02 3.49 -1.05 -1.26 -4.46 118.70 114.11 2pnm s GLU 531 Ca -0.33 -0.72 0.01 0.00 -0.15 0.00 0.00 54.97 53.77 2pnm s GLU 531 Cb 0.10 0.49 0.01 0.00 -0.44 0.00 0.00 34.13 34.30 2pnm s GLU 531 CO 0.56 -0.47 -0.01 0.54 0.95 0.00 0.00 175.26 176.83 2pnm s VAL 532 N -3.81 0.19 -0.29 1.83 0.11 -0.33 -4.98 120.40 113.12 2pnm s VAL 532 Ca 0.04 -0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 2pnm s VAL 532 Cb 0.01 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.58 2pnm s VAL 532 CO -0.10 0.10 0.20 -0.70 -3.33 0.00 0.00 175.10 171.27 2pnm s GLU 533 N 0.51 3.90 0.21 1.54 2.12 -1.26 -0.94 118.70 124.78 2pnm s GLU 533 Ca -0.05 -0.36 0.07 0.00 0.36 0.00 0.00 54.97 54.99 2pnm s GLU 533 Cb -0.08 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 2pnm s GLU 533 CO -0.01 -0.21 0.11 -0.51 -0.54 0.00 0.00 175.26 174.10 2pnm s LEU 534 N 1.76 3.63 1.00 2.70 1.43 0.84 -4.96 118.68 125.07 2pnm s LEU 534 Ca 0.07 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2pnm s LEU 534 Cb -0.16 -2.20 0.19 0.00 0.03 0.00 0.00 46.19 44.04 2pnm s LEU 534 CO 0.11 0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.64 2pnm s PRO 535 N -3.44 0.39 0.26 1.29 0.04 -1.26 -1.35 135.00 130.93 2pnm s PRO 535 Ca 0.31 0.57 -0.31 0.00 0.04 0.00 0.00 61.00 61.61 2pnm s PRO 535 Cb -0.09 -1.73 -0.13 0.00 0.04 0.00 0.00 34.50 32.60 2pnm s PRO 535 CO 0.23 -2.77 1.50 -2.30 0.04 0.00 0.00 177.00 173.69 2pnm n PRO 536 N -4.21 2.34 -2.17 0.56 -0.02 -1.25 -4.39 135.00 125.86 2pnm n PRO 536 Ca 0.05 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 62.01 2pnm n PRO 536 Cb 0.57 -2.55 0.01 0.00 -0.02 0.00 0.00 33.50 31.51 2pnm n PRO 536 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2pnm s PRO 537 N -0.38 3.22 0.29 0.52 0.04 -1.26 -4.92 135.00 132.51 2pnm s PRO 537 Ca 0.67 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.42 2pnm s PRO 537 Cb -0.58 -1.98 0.60 0.00 0.04 0.00 0.00 34.50 32.58 2pnm s PRO 537 CO 0.48 -0.98 1.82 0.66 0.04 0.00 0.00 177.00 179.02 2pnm h SER 538 N 1.08 0.88 -5.18 6.66 4.64 -1.93 -3.41 113.55 116.29 2pnm h SER 538 Ca -0.50 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 2pnm h SER 538 Cb 1.27 -0.11 -0.09 0.00 -0.31 0.00 0.00 62.40 63.17 2pnm h SER 538 CO 0.56 0.43 -0.06 -1.59 -0.87 0.00 0.00 176.83 175.30 2pnm s LYS 539 N -5.93 1.54 -0.02 4.77 -2.85 -1.26 -0.87 119.74 115.11 2pnm s LYS 539 Ca -0.12 -1.15 -0.31 0.00 -1.00 0.00 0.00 55.97 53.40 2pnm s LYS 539 Cb 0.23 0.49 0.12 0.00 -2.06 0.00 0.00 37.83 36.61 2pnm s LYS 539 CO 0.81 -0.65 1.29 0.20 0.10 0.00 0.00 175.35 177.10 2pnm s GLY 540 N -2.98 -0.42 0.00 0.59 0.00 -0.64 -4.17 107.32 99.70 2pnm s GLY 540 Ca 0.18 0.72 -0.00 0.00 0.00 0.00 0.00 44.72 45.63 2pnm s GLY 540 CO 0.06 0.13 0.00 0.54 0.00 0.00 0.00 173.10 173.84 2pnm s VAL 541 N -2.41 0.02 -0.18 1.40 0.11 -0.76 -4.11 120.40 114.47 2pnm s VAL 541 Ca 0.14 -0.14 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 2pnm s VAL 541 Cb 0.05 -0.06 -0.04 0.00 -1.53 0.00 0.00 36.38 34.80 2pnm s VAL 541 CO -0.04 -0.08 0.10 -0.63 -3.33 0.00 0.00 175.10 171.12 2pnm s ILE 542 N -0.22 5.13 0.12 7.04 1.01 -1.26 -0.60 121.20 132.42 2pnm s ILE 542 Ca -0.02 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.77 2pnm s ILE 542 Cb -0.02 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 2pnm s ILE 542 CO -0.00 0.48 -0.15 0.68 0.00 0.00 0.00 174.94 175.95 2pnm s VAL 543 N 0.09 1.39 0.23 2.92 -7.23 0.10 -1.37 120.40 116.53 2pnm s VAL 543 Ca 0.07 -1.72 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 2pnm s VAL 543 Cb -0.12 -1.55 -0.07 0.00 0.56 0.00 0.00 36.38 35.21 2pnm s VAL 543 CO -0.00 -0.38 0.53 -2.16 -0.31 0.00 0.00 175.10 172.77 2pnm s PRO 544 N -2.62 3.74 -0.16 4.82 0.04 -1.26 -0.53 135.00 139.04 2pnm s PRO 544 Ca 0.09 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.32 2pnm s PRO 544 Cb -0.05 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.83 2pnm s PRO 544 CO 0.03 0.32 -0.18 0.08 0.04 0.00 0.00 177.00 177.29 2pnm s VAL 545 N -1.85 1.86 -0.26 -0.36 1.01 0.10 -4.87 120.40 116.04 2pnm s VAL 545 Ca 0.46 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 2pnm s VAL 545 Cb -0.11 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2pnm s VAL 545 CO 0.23 0.51 0.30 -0.69 0.00 0.00 0.00 175.10 175.45 2pnm s VAL 546 N 1.31 5.24 -0.10 2.92 1.01 -1.26 -1.45 120.40 128.07 2pnm s VAL 546 Ca 0.03 0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 2pnm s VAL 546 Cb -0.13 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2pnm s VAL 546 CO -0.11 0.23 -0.19 1.41 0.00 0.00 0.00 175.10 176.45 2pnm n HIS 547 N 4.94 0.12 0.00 5.22 8.25 0.16 -5.01 115.22 128.89 2pnm n HIS 547 Ca -0.11 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2pnm n HIS 547 Cb 0.51 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2pnm n HIS 547 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2pnm n GLU 555 N -3.65 -0.20 -1.06 -0.41 0.00 -1.26 -3.62 120.64 110.44 2pnm n GLU 555 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.73 2pnm n GLU 555 Cb 0.27 -0.28 0.07 0.00 0.00 0.00 0.00 31.44 31.51 2pnm n GLU 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pnm n ALA 556 N 0.03 -2.96 -3.74 4.31 0.00 -1.26 -5.01 120.51 111.88 2pnm n ALA 556 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 53.44 52.84 2pnm n ALA 556 Cb 0.00 -1.62 -0.16 0.00 0.00 0.00 0.00 19.45 17.67 2pnm n ALA 556 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2pnm s PHE 557 N -2.08 0.02 0.03 0.00 5.36 -1.24 -5.15 117.98 114.92 2pnm s PHE 557 Ca 0.56 0.20 0.08 0.00 -0.96 0.00 0.00 56.93 56.81 2pnm s PHE 557 Cb -0.28 -0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.07 2pnm s PHE 557 CO 0.68 -0.13 -0.24 0.20 -1.46 0.00 0.00 175.22 174.27 2pnm s GLY 558 N 1.40 1.44 0.26 13.12 0.00 -1.26 0.38 107.32 122.66 2pnm s GLY 558 Ca -0.05 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 43.47 2pnm s GLY 558 CO -0.03 -1.09 0.16 -1.35 0.00 0.00 0.00 173.10 170.79 2pnm s SER 559 N -1.18 0.98 0.05 1.64 1.04 -0.53 -4.77 113.70 110.92 2pnm s SER 559 Ca 0.12 -1.51 0.06 0.00 0.48 0.00 0.00 55.95 55.11 2pnm s SER 559 Cb -0.10 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 2pnm s SER 559 CO 0.02 -0.88 -0.15 -0.76 0.98 0.00 0.00 173.24 172.45 2pnm s LEU 560 N -3.28 2.77 0.05 2.42 1.43 -1.26 0.00 118.68 120.81 2pnm s LEU 560 Ca 0.38 -0.38 0.09 0.00 -1.03 0.00 0.00 54.13 53.19 2pnm s LEU 560 Cb 0.06 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 2pnm s LEU 560 CO 0.17 0.25 -0.25 0.00 0.23 0.00 0.00 176.35 176.75 2pnm s ALA 561 N -0.98 2.13 -0.10 4.21 0.00 0.31 -0.69 121.76 126.64 2pnm s ALA 561 Ca 0.16 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2pnm s ALA 561 Cb -0.11 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2pnm s ALA 561 CO 0.07 0.50 -0.14 -1.50 0.00 0.00 0.00 175.76 174.68 2pnm s ILE 562 N -0.83 2.98 -0.26 0.00 2.07 0.75 -0.72 121.20 125.18 2pnm s ILE 562 Ca 0.11 -0.71 -0.07 0.00 -1.41 0.00 0.00 60.65 58.57 2pnm s ILE 562 Cb -0.10 -2.22 -0.02 0.00 0.13 0.00 0.00 42.46 40.26 2pnm s ILE 562 CO 0.02 0.55 0.06 -0.63 -1.91 0.00 0.00 174.94 173.03 2pnm s ILE 563 N 0.05 4.16 0.10 2.00 1.01 0.23 -0.01 121.20 128.74 2pnm s ILE 563 Ca -0.05 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.34 2pnm s ILE 563 Cb -0.15 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 2pnm s ILE 563 CO 0.04 0.29 -0.14 0.27 0.00 0.00 0.00 174.94 175.41 2pnm s ILE 564 N 1.58 1.20 0.49 2.92 -4.36 -0.85 -1.82 121.20 120.35 2pnm s ILE 564 Ca 0.06 -1.56 -0.22 0.00 -0.26 0.00 0.00 60.65 58.66 2pnm s ILE 564 Cb -0.15 -1.35 -0.07 0.00 1.25 0.00 0.00 42.46 42.15 2pnm s ILE 564 CO 0.03 -0.37 1.23 -2.84 0.24 0.00 0.00 174.94 173.23 2pnm s PRO 565 N -2.36 3.55 0.00 0.37 0.02 -1.26 -1.27 135.00 134.06 2pnm s PRO 565 Ca 0.05 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.99 2pnm s PRO 565 Cb -0.06 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 32.10 2pnm s PRO 565 CO 0.02 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 2pnm n GLY 566 N 0.53 2.11 3.12 0.52 0.00 0.21 -4.81 105.19 106.87 2pnm n GLY 566 Ca 0.08 -2.09 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 2pnm n GLY 566 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pnm s GLU 567 N -2.01 2.02 -0.41 1.61 2.02 -1.26 -3.02 118.70 117.64 2pnm s GLU 567 Ca 0.00 -1.69 0.07 0.00 0.02 0.00 0.00 54.97 53.37 2pnm s GLU 567 Cb 0.00 -3.42 0.43 0.00 0.10 0.00 0.00 34.13 31.24 2pnm s GLU 567 CO 0.00 -0.94 1.08 0.66 0.02 0.00 0.00 175.26 176.09 2pnm n TYR 568 N 4.54 2.99 0.29 1.61 4.01 -1.26 -4.86 117.16 124.48 2pnm n TYR 568 Ca -0.04 -3.03 0.14 0.00 -0.16 0.00 0.00 57.90 54.81 2pnm n TYR 568 Cb 0.42 -0.14 0.85 0.00 -0.31 0.00 0.00 39.34 40.15 2pnm n TYR 568 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2pnm h PRO 569 N 2.64 0.00 0.00 -0.72 0.13 -1.93 -1.84 132.00 130.28 2pnm h PRO 569 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2pnm h PRO 569 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2pnm h PRO 569 CO 0.78 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.50 2pnm h GLU 570 N 0.00 0.00 -0.00 0.86 3.07 -1.89 -0.70 114.58 115.92 2pnm h GLU 570 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2pnm h GLU 570 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 2pnm h GLU 570 CO 0.00 0.00 -0.17 1.28 -1.40 0.00 0.00 179.01 178.72 2pnm n LEU 571 N -2.89 0.24 -4.86 1.33 4.77 -0.69 0.07 117.00 114.96 2pnm n LEU 571 Ca -0.01 0.25 -0.35 0.00 -0.03 0.00 0.00 56.01 55.88 2pnm n LEU 571 Cb 0.19 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 2pnm n LEU 571 CO 0.22 0.05 0.10 -0.76 -1.33 0.00 0.00 177.39 175.67 2pnm s LEU 572 N -2.89 4.35 0.38 2.23 1.43 -0.27 -4.58 118.68 119.33 2pnm s LEU 572 Ca 0.16 0.83 -0.25 0.00 -1.03 0.00 0.00 54.13 53.84 2pnm s LEU 572 Cb 0.19 -3.03 -0.12 0.00 0.03 0.00 0.00 46.19 43.27 2pnm s LEU 572 CO 0.57 0.16 0.99 -0.67 0.23 0.00 0.00 176.35 177.63 2pnm n ASP 573 N 0.88 1.19 -0.35 2.29 2.03 -1.26 -4.70 116.55 116.63 2pnm n ASP 573 Ca -0.08 1.07 0.24 0.00 0.52 0.00 0.00 54.79 56.55 2pnm n ASP 573 Cb 0.52 -1.32 0.51 0.00 -0.72 0.00 0.00 41.12 40.10 2pnm n ASP 573 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pnm h ALA 574 N 1.66 2.21 0.00 -1.67 0.00 -1.92 0.29 119.26 119.83 2pnm h ALA 574 Ca -0.43 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2pnm h ALA 574 Cb 1.34 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2pnm h ALA 574 CO 0.58 -0.68 -0.02 -0.91 0.00 0.00 0.00 179.25 178.22 2pnm h ASN 575 N 0.37 0.00 -0.01 0.00 4.21 -1.89 -2.22 115.58 116.03 2pnm h ASN 575 Ca 0.65 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.16 2pnm h ASN 575 Cb 1.64 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.84 2pnm h ASN 575 CO -0.37 0.02 -0.08 0.00 -1.29 0.00 0.00 177.43 175.71 2pnm n GLN 576 N -3.15 1.98 -1.38 0.81 6.02 0.08 -3.36 117.38 118.39 2pnm n GLN 576 Ca -0.01 -1.55 -0.39 0.00 -0.01 0.00 0.00 57.00 55.04 2pnm n GLN 576 Cb 0.23 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 2pnm n GLN 576 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pnm n GLN 577 N 0.84 3.77 -4.74 -1.09 6.02 -0.84 -2.93 117.38 118.42 2pnm n GLN 577 Ca 0.14 -2.31 -0.33 0.00 -0.01 0.00 0.00 57.00 54.49 2pnm n GLN 577 Cb 0.52 -2.79 -0.16 0.00 1.02 0.00 0.00 30.24 28.83 2pnm n GLN 577 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2pnm s VAL 578 N 1.90 2.56 -0.31 5.09 1.01 -1.26 -4.95 120.40 124.45 2pnm s VAL 578 Ca 0.68 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 2pnm s VAL 578 Cb 0.18 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2pnm s VAL 578 CO -0.06 0.53 0.20 -0.22 0.00 0.00 0.00 175.10 175.54 2pnm s LEU 579 N 0.62 4.20 0.28 3.92 2.96 -1.26 -0.67 118.68 128.72 2pnm s LEU 579 Ca -0.09 -0.26 0.10 0.00 -0.22 0.00 0.00 54.13 53.66 2pnm s LEU 579 Cb -0.16 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 2pnm s LEU 579 CO 0.03 -0.14 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.43 2pnm s SER 580 N 1.72 4.31 0.03 3.68 0.01 -0.67 -4.96 113.70 117.81 2pnm s SER 580 Ca 0.06 -0.77 0.08 0.00 1.31 0.00 0.00 55.95 56.63 2pnm s SER 580 Cb -0.17 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.35 2pnm s SER 580 CO 0.10 -0.02 -0.23 -1.00 0.41 0.00 0.00 173.24 172.49 2pnm s HIS 581 N -2.39 2.06 0.77 2.43 0.09 -1.26 -0.41 115.29 116.58 2pnm s HIS 581 Ca 0.32 -0.39 -0.11 0.00 -0.00 0.00 0.00 55.06 54.88 2pnm s HIS 581 Cb -0.05 -1.26 0.05 0.00 -0.00 0.00 0.00 32.58 31.32 2pnm s HIS 581 CO 0.19 0.07 1.08 -0.06 -0.00 0.00 0.00 174.74 176.02 2pnm s PHE 582 N -0.73 2.73 0.51 1.40 0.40 -0.90 -0.39 117.98 120.99 2pnm s PHE 582 Ca 0.09 1.43 -0.23 0.00 -0.60 0.00 0.00 56.93 57.62 2pnm s PHE 582 Cb -0.09 -3.02 -0.07 0.00 0.51 0.00 0.00 43.02 40.35 2pnm s PHE 582 CO 0.01 -1.71 1.31 0.00 0.70 0.00 0.00 175.22 175.54 2pnm n ALA 583 N -3.45 1.45 -2.18 5.36 0.00 -0.12 -3.95 120.51 117.62 2pnm n ALA 583 Ca 0.08 0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.56 2pnm n ALA 583 Cb 0.54 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 2pnm n ALA 583 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pnm n ASN 584 N -0.57 -4.01 -3.07 0.00 3.02 -1.26 -3.32 115.26 106.06 2pnm n ASN 584 Ca 0.09 0.01 -0.15 0.00 -0.03 0.00 0.00 54.58 54.50 2pnm n ASN 584 Cb 0.43 -3.17 0.08 0.00 -0.61 0.00 0.00 39.78 36.51 2pnm n ASN 584 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2pnm n ASP 585 N -0.38 -2.48 -0.65 6.41 10.43 -1.25 -4.94 116.55 123.68 2pnm n ASP 585 Ca -0.15 -0.52 0.05 0.00 2.57 0.00 0.00 54.79 56.74 2pnm n ASP 585 Cb 0.60 -4.41 0.20 0.00 1.84 0.00 0.00 41.12 39.35 2pnm n ASP 585 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 2pnm n THR 586 N -3.77 2.24 0.00 -3.53 -2.24 -1.21 -4.95 114.28 100.83 2pnm n THR 586 Ca -0.21 -3.06 0.00 0.00 -2.27 0.00 0.00 64.05 58.51 2pnm n THR 586 Cb 0.63 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2pnm n THR 586 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pnm n GLY 587 N -1.14 -0.40 3.64 3.38 0.00 -1.26 -0.98 105.19 108.43 2pnm n GLY 587 Ca 0.21 -2.28 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 2pnm n GLY 587 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pnm s SER 588 N -0.04 0.13 -0.04 1.61 1.04 -1.26 -2.13 113.70 113.01 2pnm s SER 588 Ca 0.00 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 55.36 2pnm s SER 588 Cb 0.00 0.67 0.03 0.00 0.10 0.00 0.00 66.02 66.82 2pnm s SER 588 CO 0.00 -1.30 0.05 -0.69 0.98 0.00 0.00 173.24 172.28 2pnm s VAL 589 N -3.50 -0.04 0.31 5.02 1.01 0.45 -0.41 120.40 123.25 2pnm s VAL 589 Ca 0.22 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 2pnm s VAL 589 Cb -0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 36.38 36.06 2pnm s VAL 589 CO 0.12 0.19 1.15 0.26 0.00 0.00 0.00 175.10 176.82 2pnm s TRP 590 N 2.06 3.38 0.00 5.22 0.52 0.27 -1.66 118.94 128.73 2pnm s TRP 590 Ca 0.04 1.61 0.00 0.00 0.02 0.00 0.00 56.10 57.77 2pnm s TRP 590 Cb -0.12 -3.38 0.00 0.00 -1.15 0.00 0.00 33.47 28.81 2pnm s TRP 590 CO -0.03 -0.95 0.00 0.41 0.02 0.00 0.00 176.95 176.40 2pnm n GLY 591 N 1.00 0.75 3.50 0.98 0.00 0.16 -0.20 105.19 111.37 2pnm n GLY 591 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2pnm n GLY 591 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pnm s ILE 592 N -2.81 3.85 -0.71 -0.61 -1.09 -1.20 -1.26 121.20 117.38 2pnm s ILE 592 Ca 0.00 -0.37 0.24 0.00 -2.23 0.00 0.00 60.65 58.29 2pnm s ILE 592 Cb 0.00 -2.68 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 2pnm s ILE 592 CO 0.00 0.50 1.27 0.61 -1.23 0.00 0.00 174.94 176.09 2pnm n GLY 593 N 3.47 -1.33 3.13 6.18 0.00 0.25 -3.44 105.19 113.46 2pnm n GLY 593 Ca -0.17 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 2pnm n GLY 593 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pnm s GLU 594 N -3.14 0.91 0.55 1.61 2.02 -1.26 -4.97 118.70 114.41 2pnm s GLU 594 Ca 0.07 -0.73 -0.20 0.00 0.02 0.00 0.00 54.97 54.12 2pnm s GLU 594 Cb 0.14 -0.90 -0.07 0.00 0.10 0.00 0.00 34.13 33.40 2pnm s GLU 594 CO 0.74 0.22 0.90 -0.25 0.02 0.00 0.00 175.26 176.89 2pnm n ASP 595 N 1.94 0.60 -4.61 -0.19 8.00 -1.26 -4.67 116.55 116.35 2pnm n ASP 595 Ca -0.18 0.86 -0.38 0.00 0.71 0.00 0.00 54.79 55.80 2pnm n ASP 595 Cb 0.55 -1.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.21 2pnm n ASP 595 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnm s ILE 596 N -1.48 5.26 -1.04 0.53 1.01 0.47 -4.94 121.20 121.01 2pnm s ILE 596 Ca 0.71 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.73 2pnm s ILE 596 Cb -0.46 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.41 2pnm s ILE 596 CO 0.51 0.23 0.42 -0.81 0.00 0.00 0.00 174.94 175.29 2pnm n PRO 597 N 4.98 0.81 -4.24 2.79 -0.04 -1.26 -2.19 135.00 135.85 2pnm n PRO 597 Ca -0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.21 2pnm n PRO 597 Cb 0.51 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 2pnm n PRO 597 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2pnm s PHE 598 N -1.04 1.27 0.62 0.54 -0.12 -1.26 -4.85 117.98 113.15 2pnm s PHE 598 Ca 0.00 -1.31 -0.15 0.00 -0.05 0.00 0.00 56.93 55.41 2pnm s PHE 598 Cb 0.00 -0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 41.71 2pnm s PHE 598 CO 0.00 -0.54 1.08 -1.21 -0.05 0.00 0.00 175.22 174.50 2pnm s GLU 599 N -4.12 3.07 0.04 1.99 2.02 -1.26 -0.94 118.70 119.50 2pnm s GLU 599 Ca 0.38 1.30 0.01 0.00 0.02 0.00 0.00 54.97 56.68 2pnm s GLU 599 Cb 0.07 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 32.31 2pnm s GLU 599 CO 0.12 -1.02 0.04 0.41 0.02 0.00 0.00 175.26 174.84 2pnm n GLY 600 N -0.74 2.37 1.81 -1.39 0.00 -1.24 -4.85 105.19 101.15 2pnm n GLY 600 Ca 0.10 -2.15 -0.19 0.00 0.00 0.00 0.00 46.02 43.78 2pnm n GLY 600 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pnm n ASP 601 N -2.57 4.19 -2.87 1.61 3.85 -1.22 -4.89 116.55 114.65 2pnm n ASP 601 Ca 0.01 -3.74 -0.08 0.00 -0.71 0.00 0.00 54.79 50.27 2pnm n ASP 601 Cb 0.04 -0.73 0.01 0.00 -1.35 0.00 0.00 41.12 39.09 2pnm n ASP 601 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2pnm n ASN 602 N -1.04 -7.94 -4.12 -1.12 3.02 -0.15 -5.01 115.26 98.90 2pnm n ASN 602 Ca 0.48 0.49 -0.28 0.00 -0.03 0.00 0.00 54.58 55.25 2pnm n ASN 602 Cb 1.13 -5.38 -0.17 0.00 -0.61 0.00 0.00 39.78 34.76 2pnm n ASN 602 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pnm s TYR 605 N 0.42 2.14 -0.04 0.00 2.02 0.45 0.63 117.35 122.98 2pnm s TYR 605 Ca -0.14 -0.50 -0.00 0.00 -0.37 0.00 0.00 57.07 56.06 2pnm s TYR 605 Cb -0.16 -1.09 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 2pnm s TYR 605 CO 0.05 0.52 0.01 0.99 -1.57 0.00 0.00 175.55 175.55 2pnm s THR 606 N -2.73 0.19 -0.53 -0.71 2.01 -0.40 -0.56 115.64 112.90 2pnm s THR 606 Ca 0.29 0.12 -0.23 0.00 0.31 0.00 0.00 61.69 62.19 2pnm s THR 606 Cb -0.00 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.24 2pnm s THR 606 CO 0.13 0.17 0.85 0.00 -0.69 0.00 0.00 174.62 175.08 2pnm s ALA 607 N 1.29 3.23 -0.11 7.40 0.00 0.72 -2.01 121.76 132.28 2pnm s ALA 607 Ca -0.06 -1.36 -0.05 0.00 0.00 0.00 0.00 51.96 50.50 2pnm s ALA 607 Cb -0.13 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 2pnm s ALA 607 CO -0.02 -2.26 0.06 -0.51 0.00 0.00 0.00 175.76 173.03 2pnm s LEU 608 N 3.56 3.93 0.02 0.00 1.43 0.98 -4.67 118.68 123.93 2pnm s LEU 608 Ca 0.26 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 2pnm s LEU 608 Cb -0.14 -1.93 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 2pnm s LEU 608 CO 0.17 0.37 1.73 -2.84 0.23 0.00 0.00 176.35 176.01 2pnm s PRO 609 N -0.80 4.18 -0.43 1.29 0.02 -1.26 -0.17 135.00 137.82 2pnm s PRO 609 Ca 0.13 2.35 -0.17 0.00 0.02 0.00 0.00 61.00 63.33 2pnm s PRO 609 Cb -0.12 -3.85 0.03 0.00 0.02 0.00 0.00 34.50 30.58 2pnm s PRO 609 CO 0.03 -0.82 0.41 -1.17 -0.33 0.00 0.00 177.00 175.11 2pnm s LEU 610 N 3.50 5.02 0.06 -5.54 2.96 0.14 -3.05 118.68 121.77 2pnm s LEU 610 Ca 0.77 -0.82 -0.15 0.00 -0.22 0.00 0.00 54.13 53.71 2pnm s LEU 610 Cb -0.38 -2.31 -0.28 0.00 0.50 0.00 0.00 46.19 43.72 2pnm s LEU 610 CO 0.33 -0.57 1.11 0.50 -1.32 0.00 0.00 176.35 176.41 2pnm h LYS 611 N 8.72 0.64 -1.36 1.98 3.64 -1.14 -3.40 116.57 125.65 2pnm h LYS 611 Ca -0.27 -0.82 0.14 0.00 -1.27 0.00 0.00 60.65 58.43 2pnm h LYS 611 Cb 1.11 0.26 -0.25 0.00 -0.41 0.00 0.00 32.23 32.94 2pnm h LYS 611 CO 0.80 1.37 0.70 -2.00 -2.27 0.00 0.00 179.45 178.05 2pnm s GLU 612 N -3.04 0.37 -0.14 1.90 2.12 -1.16 -5.00 118.70 113.75 2pnm s GLU 612 Ca -0.10 0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.35 2pnm s GLU 612 Cb 0.06 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.61 2pnm s GLU 612 CO 0.93 -0.11 -0.11 0.42 -0.54 0.00 0.00 175.26 175.85 2pnm s ILE 613 N -0.92 3.22 0.95 -3.70 1.01 -1.26 -0.52 121.20 119.98 2pnm s ILE 613 Ca 0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.95 2pnm s ILE 613 Cb -0.01 -2.37 0.16 0.00 0.01 0.00 0.00 42.46 40.25 2pnm s ILE 613 CO -0.03 0.51 1.15 -0.54 0.00 0.00 0.00 174.94 176.03 2pnm s LYS 614 N 0.41 0.83 0.40 2.79 -0.14 0.23 -4.90 119.74 119.37 2pnm s LYS 614 Ca -0.09 0.21 0.18 0.00 -1.36 0.00 0.00 55.97 54.91 2pnm s LYS 614 Cb -0.15 -1.81 0.84 0.00 -1.68 0.00 0.00 37.83 35.03 2pnm s LYS 614 CO 0.05 -2.39 1.83 0.07 -0.76 0.00 0.00 175.35 174.15 2pnm h ARG 615 N -1.64 0.00 -0.04 1.68 0.11 -2.00 -0.76 114.38 111.73 2pnm h ARG 615 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 2pnm h ARG 615 Cb 1.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2pnm h ARG 615 CO 0.57 0.33 0.00 0.27 0.10 0.00 0.00 179.97 181.24 2pnm n ASN 616 N -3.76 0.66 0.00 0.08 0.23 -1.26 -4.92 115.26 106.28 2pnm n ASN 616 Ca -0.01 -1.36 0.00 0.00 -0.53 0.00 0.00 54.58 52.67 2pnm n ASN 616 Cb 0.42 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 2pnm n ASN 616 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pnm n GLY 617 N 1.01 1.00 3.71 4.83 0.00 -0.29 -4.84 105.19 110.60 2pnm n GLY 617 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2pnm n GLY 617 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pnm n ASN 618 N 0.00 2.77 -4.66 1.61 4.13 -1.26 -3.90 115.26 113.95 2pnm n ASN 618 Ca 0.00 1.17 -0.35 0.00 1.68 0.00 0.00 54.58 57.08 2pnm n ASN 618 Cb 0.00 -1.50 -0.10 0.00 -1.54 0.00 0.00 39.78 36.64 2pnm n ASN 618 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2pnm s ILE 619 N -1.14 4.23 -0.20 2.41 -4.36 -0.46 0.78 121.20 122.46 2pnm s ILE 619 Ca 0.58 -0.28 -0.04 0.00 -0.26 0.00 0.00 60.65 60.65 2pnm s ILE 619 Cb -0.53 -2.78 -0.02 0.00 1.25 0.00 0.00 42.46 40.38 2pnm s ILE 619 CO 0.61 0.60 -0.02 -0.69 0.24 0.00 0.00 174.94 175.67 2pnm s VAL 620 N -0.82 3.74 0.02 8.37 1.01 0.33 -0.11 120.40 132.93 2pnm s VAL 620 Ca 0.12 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.80 2pnm s VAL 620 Cb -0.11 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 2pnm s VAL 620 CO 0.02 0.44 -0.23 -0.69 0.00 0.00 0.00 175.10 174.64 2pnm s VAL 621 N 1.04 2.39 0.10 2.92 1.01 -0.11 -0.57 120.40 127.18 2pnm s VAL 621 Ca 0.01 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.82 2pnm s VAL 621 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2pnm s VAL 621 CO 0.01 0.44 -0.04 -1.83 0.00 0.00 0.00 175.10 173.69 2pnm s GLU 622 N -1.06 0.83 0.13 2.72 -1.05 -1.17 -1.18 118.70 117.91 2pnm s GLU 622 Ca 0.12 -1.34 -0.18 0.00 -0.15 0.00 0.00 54.97 53.42 2pnm s GLU 622 Cb -0.10 -0.08 -0.07 0.00 -0.44 0.00 0.00 34.13 33.44 2pnm s GLU 622 CO 0.02 -0.07 0.60 0.15 0.95 0.00 0.00 175.26 176.90 2pnm s LYS 623 N -3.88 4.15 0.01 -4.83 1.02 -1.26 -4.37 119.74 110.58 2pnm s LYS 623 Ca 0.13 0.70 0.07 0.00 0.02 0.00 0.00 55.97 56.89 2pnm s LYS 623 Cb 0.06 -3.08 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 2pnm s LYS 623 CO -0.04 0.54 -0.20 0.96 -0.92 0.00 0.00 175.35 175.69 2pnm s ILE 624 N -1.30 1.61 -0.90 2.17 -4.36 -1.26 -5.01 121.20 112.15 2pnm s ILE 624 Ca 0.34 -0.98 -0.25 0.00 -0.26 0.00 0.00 60.65 59.51 2pnm s ILE 624 Cb -0.18 -1.36 0.03 0.00 1.25 0.00 0.00 42.46 42.20 2pnm s ILE 624 CO 0.20 0.36 1.47 0.12 0.24 0.00 0.00 174.94 177.32 2pnm s PHE 625 N -0.59 2.34 0.10 1.37 5.36 -1.26 -4.54 117.98 120.76 2pnm s PHE 625 Ca 0.08 -0.37 -0.25 0.00 -0.96 0.00 0.00 56.93 55.42 2pnm s PHE 625 Cb -0.08 -4.58 0.08 0.00 -0.34 0.00 0.00 43.02 38.10 2pnm s PHE 625 CO 0.00 -1.98 0.70 0.00 -1.46 0.00 0.00 175.22 172.48 2pnm s ALA 626 N 5.92 -1.68 1.04 11.12 0.00 -1.26 -5.16 121.76 131.75 2pnm s ALA 626 Ca 0.46 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 2pnm s ALA 626 Cb -0.04 0.71 0.23 0.00 0.00 0.00 0.00 23.12 24.03 2pnm s ALA 626 CO 0.00 -0.74 1.29 0.20 0.00 0.00 0.00 175.76 176.51 2pnm s GLY 627 N -2.64 1.75 1.02 0.00 0.00 -1.26 -3.87 107.32 102.32 2pnm s GLY 627 Ca 0.02 -1.21 -0.14 0.00 0.00 0.00 0.00 44.72 43.39 2pnm s GLY 627 CO -0.11 -0.38 1.13 2.56 0.00 0.00 0.00 173.10 176.29 2pnm s PRO 628 N -5.82 0.25 0.90 2.90 0.04 -1.21 -4.71 135.00 127.34 2pnm s PRO 628 Ca 0.75 0.22 -0.11 0.00 0.04 0.00 0.00 61.00 61.90 2pnm s PRO 628 Cb -0.04 -1.74 0.13 0.00 0.04 0.00 0.00 34.50 32.89 2pnm s PRO 628 CO 0.54 -2.79 1.10 0.42 0.04 0.00 0.00 177.00 176.31 2pnm s ILE 629 N -3.15 2.62 0.08 0.56 1.01 -0.39 -4.64 121.20 117.30 2pnm s ILE 629 Ca 0.67 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.52 2pnm s ILE 629 Cb -0.14 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2pnm s ILE 629 CO 0.55 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.84 2pnm n GLY 631 N -0.59 -0.46 0.52 6.18 0.00 -1.26 0.87 105.19 110.45 2pnm n GLY 631 Ca 0.08 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.01 2pnm n GLY 631 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pnm n PRO 632 N -1.77 1.72 0.27 1.61 -0.04 -1.26 -4.54 135.00 130.99 2pnm n PRO 632 Ca -0.00 -1.05 0.12 0.00 -0.04 0.00 0.00 63.50 62.53 2pnm n PRO 632 Cb 0.54 -1.48 0.75 0.00 -0.04 0.00 0.00 33.50 33.27 2pnm n PRO 632 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pnm h SER 633 N 2.55 0.00 0.31 3.54 4.64 -1.97 -1.85 113.55 120.77 2pnm h SER 633 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pnm h SER 633 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2pnm h SER 633 CO 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 2pnm n ALA 634 N -2.33 2.44 -0.14 5.18 0.00 -1.26 -1.35 120.51 123.05 2pnm n ALA 634 Ca -0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2pnm n ALA 634 Cb 0.19 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 2pnm n ALA 634 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2pnm h GLN 635 N 0.00 0.98 -0.04 0.00 4.20 -1.37 -1.38 115.11 117.49 2pnm h GLN 635 Ca 0.00 -0.45 0.03 0.00 0.06 0.00 0.00 58.65 58.29 2pnm h GLN 635 Cb 0.15 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 2pnm h GLN 635 CO 0.00 1.12 -0.20 1.25 -0.67 0.00 0.00 178.83 180.33 2pnm h LEU 636 N 0.82 -0.60 -0.99 1.46 5.85 -1.17 -0.57 115.31 120.10 2pnm h LEU 636 Ca 0.09 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 2pnm h LEU 636 Cb 0.87 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 2pnm h LEU 636 CO 0.08 -0.26 0.55 1.23 -0.34 0.00 0.00 178.44 179.70 2pnm h GLY 637 N -0.30 1.33 1.01 3.75 0.00 -1.72 -2.64 103.07 104.49 2pnm h GLY 637 Ca 0.07 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 2pnm h GLY 637 CO -0.22 0.54 -0.14 1.41 0.00 0.00 0.00 176.54 178.13 2pnm h LEU 638 N 1.26 0.83 -0.37 3.11 3.38 -0.91 -0.09 115.31 122.52 2pnm h LEU 638 Ca 0.33 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2pnm h LEU 638 Cb -0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2pnm h LEU 638 CO -0.06 1.02 0.19 -1.28 0.09 0.00 0.00 178.44 178.40 2pnm h SER 639 N 0.63 0.48 -0.37 -0.43 0.87 -1.04 -2.30 113.55 111.38 2pnm h SER 639 Ca 0.10 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2pnm h SER 639 Cb 0.68 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.48 2pnm h SER 639 CO 0.05 0.46 0.10 -0.07 -0.53 0.00 0.00 176.83 176.83 2pnm h LEU 640 N 0.47 0.06 -0.77 2.23 3.38 -1.40 0.85 115.31 120.14 2pnm h LEU 640 Ca 0.13 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.22 2pnm h LEU 640 Cb 0.10 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2pnm h LEU 640 CO -0.02 0.07 0.44 0.25 0.09 0.00 0.00 178.44 179.28 2pnm h LEU 641 N 0.23 0.66 0.00 1.67 5.85 -0.74 0.16 115.31 123.14 2pnm h LEU 641 Ca 0.17 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2pnm h LEU 641 Cb 0.18 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2pnm h LEU 641 CO -0.21 0.41 -1.00 1.33 -0.34 0.00 0.00 178.44 178.63 2pnm n VAL 642 N -4.73 0.20 -0.03 1.05 0.24 -0.89 -4.10 118.33 110.07 2pnm n VAL 642 Ca 0.11 -0.26 -0.04 0.00 -2.04 0.00 0.00 64.34 62.10 2pnm n VAL 642 Cb 0.21 0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.69 2pnm n VAL 642 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2pnm n ASN 643 N -2.01 3.51 -0.00 -1.34 4.13 0.28 -4.51 115.26 115.32 2pnm n ASN 643 Ca 0.02 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.25 2pnm n ASN 643 Cb 0.44 0.06 -0.01 0.00 -1.54 0.00 0.00 39.78 38.74 2pnm n ASN 643 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2pnm n ASP 644 N -2.58 4.65 -4.63 6.41 8.00 0.30 -4.98 116.55 123.71 2pnm n ASP 644 Ca -0.11 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.00 2pnm n ASP 644 Cb 0.64 0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 42.49 2pnm n ASP 644 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnm s ILE 645 N -2.07 5.22 -0.14 0.53 1.01 0.22 -4.93 121.20 121.03 2pnm s ILE 645 Ca -0.01 0.53 0.08 0.00 0.00 0.00 0.00 60.65 61.25 2pnm s ILE 645 Cb 0.01 -3.67 -0.14 0.00 0.01 0.00 0.00 42.46 38.67 2pnm s ILE 645 CO 0.06 0.22 -0.02 -0.62 0.00 0.00 0.00 174.94 174.58 2pnm n GLU 646 N 4.92 1.37 -3.73 2.79 -0.58 -1.26 -4.75 120.64 119.40 2pnm n GLU 646 Ca -0.10 0.03 -0.13 0.00 -0.42 0.00 0.00 57.16 56.54 2pnm n GLU 646 Cb 0.51 -1.33 -0.10 0.00 -0.57 0.00 0.00 31.44 29.95 2pnm n GLU 646 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2pnm s ASP 647 N -4.95 -0.39 0.00 1.62 1.01 -1.26 -4.75 116.67 107.95 2pnm s ASP 647 Ca -0.12 0.68 0.00 0.00 0.71 0.00 0.00 52.55 53.82 2pnm s ASP 647 Cb 0.05 0.73 0.00 0.00 1.01 0.00 0.00 42.92 44.70 2pnm s ASP 647 CO 0.48 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 176.25 2pnm n GLY 648 N 2.47 -2.56 2.84 0.21 0.00 -0.04 -4.90 105.19 103.20 2pnm n GLY 648 Ca -0.15 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 43.94 2pnm n GLY 648 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pnm s VAL 649 N -0.72 0.93 0.36 1.61 1.01 -1.26 -1.62 120.40 120.71 2pnm s VAL 649 Ca 0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 2pnm s VAL 649 Cb 0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 36.38 35.02 2pnm s VAL 649 CO 0.00 -0.03 1.32 -2.65 0.00 0.00 0.00 175.10 173.74 2pnm n PRO 650 N 4.91 2.20 -2.55 2.72 -0.02 -1.26 -5.01 135.00 136.00 2pnm n PRO 650 Ca -0.11 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.72 2pnm n PRO 650 Cb 0.47 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2pnm n PRO 650 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2pnm n ARG 651 N 0.48 3.28 -3.89 -0.52 0.63 -1.26 -4.74 116.66 110.64 2pnm n ARG 651 Ca 0.04 -3.43 -0.19 0.00 -0.92 0.00 0.00 57.85 53.35 2pnm n ARG 651 Cb 0.37 -3.21 -0.17 0.00 0.45 0.00 0.00 32.46 29.90 2pnm n ARG 651 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2pnm s VAL 653 N 2.46 0.23 -0.20 5.15 1.01 -0.08 -4.49 120.40 124.49 2pnm s VAL 653 Ca 0.47 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 2pnm s VAL 653 Cb 0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2pnm s VAL 653 CO 0.01 0.19 0.05 -0.36 0.00 0.00 0.00 175.10 174.99 2pnm s PHE 654 N 1.36 3.17 -0.04 5.22 0.08 -0.47 0.28 117.98 127.57 2pnm s PHE 654 Ca -0.05 -0.10 0.01 0.00 0.12 0.00 0.00 56.93 56.91 2pnm s PHE 654 Cb -0.13 -2.10 0.02 0.00 -0.57 0.00 0.00 43.02 40.24 2pnm s PHE 654 CO -0.02 -0.00 -0.04 -0.08 -0.10 0.00 0.00 175.22 174.97 2pnm s THR 655 N 0.68 0.50 0.00 0.64 -1.32 -0.34 -4.25 115.64 111.56 2pnm s THR 655 Ca 0.03 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 2pnm s THR 655 Cb -0.13 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 2pnm s THR 655 CO 0.02 0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 2pnm n GLY 656 N 4.02 3.73 3.82 6.08 0.00 -0.45 -4.32 105.19 118.07 2pnm n GLY 656 Ca -0.25 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 2pnm n GLY 656 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pnm s GLU 657 N -2.34 4.24 -0.15 1.61 2.12 -0.54 -0.89 118.70 122.76 2pnm s GLU 657 Ca 0.00 0.87 -0.15 0.00 0.36 0.00 0.00 54.97 56.05 2pnm s GLU 657 Cb 0.00 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.52 2pnm s GLU 657 CO 0.00 0.36 0.36 0.42 -0.54 0.00 0.00 175.26 175.86 2pnm s ILE 658 N -1.58 5.26 1.23 -3.70 -1.09 -1.26 0.53 121.20 120.59 2pnm s ILE 658 Ca 0.45 0.68 -0.20 0.00 -2.23 0.00 0.00 60.65 59.34 2pnm s ILE 658 Cb -0.16 -3.70 0.30 0.00 -1.58 0.00 0.00 42.46 37.32 2pnm s ILE 658 CO 0.21 0.35 1.13 0.00 -1.23 0.00 0.00 174.94 175.40 2pnm s ALA 659 N 0.63 0.65 0.29 9.38 0.00 0.55 -4.87 121.76 128.39 2pnm s ALA 659 Ca 0.19 -1.08 0.23 0.00 0.00 0.00 0.00 51.96 51.30 2pnm s ALA 659 Cb -0.14 -2.83 1.06 0.00 0.00 0.00 0.00 23.12 21.21 2pnm s ALA 659 CO 0.06 -3.66 1.91 -0.44 0.00 0.00 0.00 175.76 173.63 2pnm h ASP 660 N -2.65 0.00 0.40 0.00 5.19 -1.99 -2.11 116.42 115.27 2pnm h ASP 660 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2pnm h ASP 660 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2pnm h ASP 660 CO 0.29 0.23 0.00 -0.90 -3.12 0.00 0.00 179.24 175.75 2pnm n ASP 661 N -3.62 0.13 -0.89 6.45 5.68 -1.26 -4.87 116.55 118.16 2pnm n ASP 661 Ca -0.01 0.54 -0.09 0.00 -0.50 0.00 0.00 54.79 54.72 2pnm n ASP 661 Cb 0.36 -0.56 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 2pnm n ASP 661 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pnm n GLU 662 N -1.65 -0.70 0.00 0.11 1.02 -0.79 -4.81 120.64 113.82 2pnm n GLU 662 Ca 0.02 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 2pnm n GLU 662 Cb 0.14 -4.61 0.00 0.00 -0.02 0.00 0.00 31.44 26.95 2pnm n GLU 662 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2pnm n GLU 663 N -2.33 0.00 -2.34 3.49 1.02 -1.26 -4.92 120.64 114.30 2pnm n GLU 663 Ca -0.10 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.63 2pnm n GLU 663 Cb 0.44 -0.28 -0.03 0.00 -0.02 0.00 0.00 31.44 31.55 2pnm n GLU 663 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2pnm s THR 664 N -1.36 3.35 -0.19 2.62 2.01 -1.26 -1.33 115.64 119.47 2pnm s THR 664 Ca 0.00 1.23 -0.14 0.00 0.31 0.00 0.00 61.69 63.09 2pnm s THR 664 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2pnm s THR 664 CO 0.00 0.24 0.31 -0.63 -0.69 0.00 0.00 174.62 173.85 2pnm s ILE 665 N -0.57 5.27 -0.14 1.82 1.01 -0.61 -0.33 121.20 127.66 2pnm s ILE 665 Ca 0.50 0.54 -0.05 0.00 0.00 0.00 0.00 60.65 61.63 2pnm s ILE 665 Cb -0.34 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2pnm s ILE 665 CO 0.41 0.32 0.05 -0.63 0.00 0.00 0.00 174.94 175.09 2pnm s ILE 666 N 0.94 4.68 0.72 2.92 1.01 0.19 -4.82 121.20 126.84 2pnm s ILE 666 Ca 0.16 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 2pnm s ILE 666 Cb -0.14 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.30 2pnm s ILE 666 CO 0.06 0.54 1.07 -2.65 0.00 0.00 0.00 174.94 173.95 2pnm n PRO 667 N 2.81 0.58 -4.50 2.79 -0.02 -1.26 -1.46 135.00 133.93 2pnm n PRO 667 Ca -0.18 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.26 2pnm n PRO 667 Cb 0.53 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 2pnm n PRO 667 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2pnm n ILE 668 N -2.51 0.00 -3.37 4.25 -6.64 -1.26 -4.67 119.36 105.16 2pnm n ILE 668 Ca 0.14 -2.28 -0.37 0.00 -1.77 0.00 0.00 62.75 58.47 2pnm n ILE 668 Cb 0.49 0.53 -0.06 0.00 -1.44 0.00 0.00 39.64 39.16 2pnm n ILE 668 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2pnm n GLY 670 N 1.20 0.49 0.37 0.00 0.00 -1.26 -4.94 105.19 101.04 2pnm n GLY 670 Ca -0.08 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.44 2pnm n GLY 670 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2pnm h VAL 671 N -0.36 0.97 -0.37 1.61 3.04 -1.93 -1.22 116.25 117.99 2pnm h VAL 671 Ca -0.11 -0.32 -0.02 0.00 -1.01 0.00 0.00 66.70 65.24 2pnm h VAL 671 Cb 1.08 -0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 30.29 2pnm h VAL 671 CO 0.12 0.17 0.16 0.44 -1.01 0.00 0.00 177.57 177.45 2pnm h ASP 672 N 0.94 0.46 0.22 3.17 3.32 -1.91 0.30 116.42 122.92 2pnm h ASP 672 Ca 0.43 -0.04 -0.33 0.00 0.02 0.00 0.00 57.03 57.11 2pnm h ASP 672 Cb 0.39 -0.12 0.03 0.00 0.22 0.00 0.00 39.33 39.86 2pnm h ASP 672 CO -0.19 0.41 -1.54 0.40 -1.72 0.00 0.00 179.24 176.60 2pnm h ILE 673 N 0.51 1.16 -0.87 0.35 1.08 -1.75 -2.67 117.51 115.32 2pnm h ILE 673 Ca 0.13 -2.61 0.12 0.00 -0.39 0.00 0.00 64.86 62.10 2pnm h ILE 673 Cb 0.09 2.95 -0.08 0.00 -3.07 0.00 0.00 36.82 36.70 2pnm h ILE 673 CO -0.02 0.82 0.50 0.00 -0.69 0.00 0.00 178.15 178.76 2pnm h ALA 674 N 0.12 1.29 -0.28 1.87 0.00 -0.96 -1.75 119.26 119.56 2pnm h ALA 674 Ca -0.29 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2pnm h ALA 674 Cb 2.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2pnm h ALA 674 CO 0.23 0.07 -0.04 0.00 0.00 0.00 0.00 179.25 179.51 2pnm h ALA 675 N 1.50 0.38 -0.83 0.00 0.00 -0.44 -2.13 119.26 117.74 2pnm h ALA 675 Ca 0.44 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2pnm h ALA 675 Cb 0.48 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2pnm h ALA 675 CO -0.28 0.16 0.52 0.82 0.00 0.00 0.00 179.25 180.47 2pnm h ILE 676 N 0.28 1.11 -0.44 0.00 2.04 -1.24 -0.38 117.51 118.88 2pnm h ILE 676 Ca 0.07 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 2pnm h ILE 676 Cb 0.50 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2pnm h ILE 676 CO 0.02 0.18 0.18 0.00 0.00 0.00 0.00 178.15 178.53 2pnm h ALA 677 N 1.36 0.57 0.21 1.87 0.00 -1.11 0.26 119.26 122.42 2pnm h ALA 677 Ca 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2pnm h ALA 677 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2pnm h ALA 677 CO -0.13 0.17 -0.10 0.00 0.00 0.00 0.00 179.25 179.20 2pnm h ALA 678 N 1.02 -0.28 -0.21 0.00 0.00 -1.11 -3.12 119.26 115.56 2pnm h ALA 678 Ca 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2pnm h ALA 678 Cb 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2pnm h ALA 678 CO -0.01 -0.64 -0.01 0.45 0.00 0.00 0.00 179.25 179.04 2pnm h HIS 679 N -0.31 0.31 0.00 0.00 -0.00 -0.90 -1.19 115.15 113.06 2pnm h HIS 679 Ca -0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.32 2pnm h HIS 679 Cb 0.24 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.56 2pnm h HIS 679 CO -0.05 0.33 -0.01 0.93 -0.00 0.00 0.00 177.93 179.13 2pnm h GLU 680 N 0.31 0.00 -0.35 2.45 5.08 -0.88 -0.75 114.58 120.44 2pnm h GLU 680 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2pnm h GLU 680 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2pnm h GLU 680 CO 0.01 0.01 0.00 1.04 -1.00 0.00 0.00 179.01 179.06 2pnm n GLN 681 N -3.16 3.15 -2.04 2.33 6.02 -0.55 -4.96 117.38 118.18 2pnm n GLN 681 Ca -0.02 -2.65 -0.15 0.00 -0.01 0.00 0.00 57.00 54.16 2pnm n GLN 681 Cb 0.12 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 29.63 2pnm n GLN 681 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnm n GLY 682 N 0.05 0.29 3.55 1.08 0.00 -0.29 -4.99 105.19 104.88 2pnm n GLY 682 Ca 0.20 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2pnm n GLY 682 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnm s LEU 683 N -4.15 3.03 0.46 0.99 1.43 -0.62 -4.98 118.68 114.85 2pnm s LEU 683 Ca 0.00 -0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.79 2pnm s LEU 683 Cb 0.00 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.48 2pnm s LEU 683 CO 0.00 0.35 1.07 -2.16 0.23 0.00 0.00 176.35 175.84 2pnm s PRO 684 N -0.85 3.85 -0.15 1.29 0.04 -1.26 -3.39 135.00 134.53 2pnm s PRO 684 Ca 0.13 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 2pnm s PRO 684 Cb -0.11 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2pnm s PRO 684 CO 0.02 -0.41 0.42 -1.17 0.04 0.00 0.00 177.00 175.90 2pnm s LEU 685 N -3.20 4.24 -0.11 -3.56 2.96 -1.26 -0.90 118.68 116.85 2pnm s LEU 685 Ca 0.65 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 55.25 2pnm s LEU 685 Cb -0.21 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 2pnm s LEU 685 CO 0.25 -0.00 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.52 2pnm s ILE 686 N 0.77 3.11 0.00 6.68 -1.09 0.14 0.37 121.20 131.19 2pnm s ILE 686 Ca 0.22 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 2pnm s ILE 686 Cb -0.15 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.45 2pnm s ILE 686 CO 0.08 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 2pnm n GLY 687 N 3.15 1.25 2.47 6.18 0.00 -1.03 -1.20 105.19 116.02 2pnm n GLY 687 Ca -0.18 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 2pnm n GLY 687 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pnm n ASN 688 N -0.11 2.58 -3.54 1.61 5.15 -1.26 -0.53 115.26 119.16 2pnm n ASN 688 Ca 0.00 -3.26 -0.07 0.00 -0.60 0.00 0.00 54.58 50.65 2pnm n ASN 688 Cb 0.00 -0.62 -0.02 0.00 -0.53 0.00 0.00 39.78 38.61 2pnm n ASN 688 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pnm s GLN 689 N -2.47 0.60 0.27 1.20 -2.07 -1.26 -4.33 119.66 111.59 2pnm s GLN 689 Ca 0.41 -0.21 -0.30 0.00 -1.82 0.00 0.00 55.36 53.45 2pnm s GLN 689 Cb 0.23 0.28 -0.14 0.00 -1.09 0.00 0.00 33.01 32.29 2pnm s GLN 689 CO -0.08 -0.26 1.26 -2.30 -1.32 0.00 0.00 175.29 172.59 2pnm n PRO 690 N -0.14 1.79 0.00 9.60 -0.02 -1.26 -2.86 135.00 142.11 2pnm n PRO 690 Ca -0.05 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2pnm n PRO 690 Cb 0.60 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2pnm n PRO 690 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnm n GLY 691 N 1.60 1.98 3.75 -1.23 0.00 -1.26 -4.92 105.19 105.11 2pnm n GLY 691 Ca 0.10 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2pnm n GLY 691 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pnm s VAL 692 N -1.49 2.17 -0.11 1.61 -7.23 -1.14 -4.87 120.40 109.35 2pnm s VAL 692 Ca 0.00 0.06 0.16 0.00 -1.81 0.00 0.00 61.98 60.38 2pnm s VAL 692 Cb 0.00 -2.70 -0.13 0.00 0.56 0.00 0.00 36.38 34.11 2pnm s VAL 692 CO 0.00 -0.07 0.87 0.44 -0.31 0.00 0.00 175.10 176.03 2pnm h ASP 693 N -1.60 0.00 -3.08 4.85 3.32 -0.43 -3.46 116.42 116.02 2pnm h ASP 693 Ca -0.52 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.20 2pnm h ASP 693 Cb 1.32 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.50 2pnm h ASP 693 CO 0.60 0.64 -0.67 -1.61 -1.72 0.00 0.00 179.24 176.47 2pnm s GLU 694 N -2.88 0.02 -0.22 3.56 0.41 -1.04 -5.00 118.70 113.56 2pnm s GLU 694 Ca -0.02 0.42 -0.14 0.00 -0.41 0.00 0.00 54.97 54.81 2pnm s GLU 694 Cb 0.09 -0.58 -0.04 0.00 -1.78 0.00 0.00 34.13 31.81 2pnm s GLU 694 CO 0.81 -0.38 0.32 -1.21 -0.49 0.00 0.00 175.26 174.30 2pnm s GLU 695 N 2.25 4.13 -0.06 1.61 2.02 -1.26 -2.47 118.70 124.93 2pnm s GLU 695 Ca 0.04 0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.08 2pnm s GLU 695 Cb -0.13 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.58 2pnm s GLU 695 CO -0.06 -0.02 -0.09 0.14 0.02 0.00 0.00 175.26 175.25 2pnm s VAL 696 N 1.26 0.89 0.23 2.63 -7.23 0.31 -4.98 120.40 113.51 2pnm s VAL 696 Ca 0.15 -0.33 0.07 0.00 -1.81 0.00 0.00 61.98 60.05 2pnm s VAL 696 Cb -0.14 -0.85 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 2pnm s VAL 696 CO 0.07 0.30 1.53 0.08 -0.31 0.00 0.00 175.10 176.77 2pnm h ARG 697 N 7.08 0.12 -4.01 4.82 -0.00 -1.94 -3.35 114.38 117.09 2pnm h ARG 697 Ca -0.34 -0.10 -0.18 0.00 -0.00 0.00 0.00 59.98 59.36 2pnm h ARG 697 Cb 1.17 0.02 -0.10 0.00 -0.00 0.00 0.00 29.97 31.07 2pnm h ARG 697 CO 0.47 0.76 -0.23 0.54 -0.00 0.00 0.00 179.97 181.51 2pnm s ASN 698 N -6.87 0.39 0.32 0.08 2.20 -1.26 -1.57 114.94 108.24 2pnm s ASN 698 Ca -0.02 -1.25 0.04 0.00 -0.94 0.00 0.00 52.86 50.68 2pnm s ASN 698 Cb 0.12 0.59 0.56 0.00 -2.00 0.00 0.00 41.25 40.52 2pnm s ASN 698 CO 0.79 -1.16 1.84 0.71 -2.94 0.00 0.00 177.10 176.34 2pnm h THR 699 N 2.25 1.21 -0.65 0.54 1.35 -1.56 -2.51 112.91 113.53 2pnm h THR 699 Ca -0.29 -0.89 -0.05 0.00 -0.55 0.00 0.00 66.41 64.63 2pnm h THR 699 Cb 1.25 1.04 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 2pnm h THR 699 CO 0.40 0.30 0.21 0.28 -0.25 0.00 0.00 175.52 176.46 2pnm h SER 700 N 0.48 0.92 0.22 5.36 0.02 -1.98 0.29 113.55 118.86 2pnm h SER 700 Ca 0.10 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 2pnm h SER 700 Cb 0.41 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2pnm h SER 700 CO 0.02 0.85 -0.53 -0.07 -1.14 0.00 0.00 176.83 175.97 2pnm h LEU 701 N 0.96 0.37 -0.12 5.07 3.38 -1.92 -2.11 115.31 120.95 2pnm h LEU 701 Ca 0.22 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2pnm h LEU 701 Cb 0.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2pnm h LEU 701 CO -0.01 0.83 -0.24 0.00 0.09 0.00 0.00 178.44 179.11 2pnm h ALA 702 N 1.18 0.19 -0.50 1.53 0.00 -1.07 -2.36 119.26 118.23 2pnm h ALA 702 Ca 0.01 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.60 2pnm h ALA 702 Cb 1.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2pnm h ALA 702 CO 0.09 0.17 0.34 0.00 0.00 0.00 0.00 179.25 179.84 2pnm h ALA 703 N 0.53 1.94 -0.45 0.00 0.00 -0.43 -1.80 119.26 119.05 2pnm h ALA 703 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2pnm h ALA 703 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2pnm h ALA 703 CO 0.05 -0.03 -0.27 1.25 0.00 0.00 0.00 179.25 180.25 2pnm h HIS 704 N 0.41 1.13 -0.93 0.00 6.17 -1.24 -2.82 115.15 117.88 2pnm h HIS 704 Ca 0.22 -0.29 0.06 0.00 0.71 0.00 0.00 60.37 61.06 2pnm h HIS 704 Cb 0.35 -0.25 -0.06 0.00 2.52 0.00 0.00 27.41 29.96 2pnm h HIS 704 CO -0.00 1.12 0.60 -0.07 0.71 0.00 0.00 177.93 180.29 2pnm h LEU 705 N 0.81 0.95 -0.57 0.26 3.38 -0.81 -0.13 115.31 119.21 2pnm h LEU 705 Ca 0.09 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2pnm h LEU 705 Cb 0.85 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 2pnm h LEU 705 CO 0.08 0.63 0.13 0.40 0.09 0.00 0.00 178.44 179.76 2pnm h ILE 706 N 1.09 0.68 0.00 1.22 2.04 -1.17 0.61 117.51 121.98 2pnm h ILE 706 Ca 0.39 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 66.10 2pnm h ILE 706 Cb 0.14 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2pnm h ILE 706 CO -0.14 0.05 -0.27 1.56 0.00 0.00 0.00 178.15 179.35 2pnm h GLN 707 N 0.26 0.00 0.00 2.37 1.08 -0.82 -3.36 115.11 114.64 2pnm h GLN 707 Ca 0.29 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.26 2pnm h GLN 707 Cb 0.41 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 2pnm h GLN 707 CO -0.37 0.27 -1.89 0.25 -0.95 0.00 0.00 178.83 176.15 2pnm n THR 708 N -3.45 0.89 0.00 -0.54 -2.24 -0.60 -5.11 114.28 103.24 2pnm n THR 708 Ca -0.00 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2pnm n THR 708 Cb 0.45 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 2pnm n THR 708 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pnm n GLY 709 N 2.26 -0.20 0.00 3.38 0.00 0.17 -5.08 105.19 105.72 2pnm n GLY 709 Ca -0.22 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2pnm n GLY 709 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pnm n THR 710 N -0.17 0.00 -0.90 2.61 -2.24 -1.26 -4.92 114.28 107.41 2pnm n THR 710 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2pnm n THR 710 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2pnm n THR 710 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39