#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rpb n GLY 542 N 0.00 4.56 3.16 -0.13 0.00 0.12 -4.41 105.19 108.49 3rpb n GLY 542 Ca 0.00 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 3rpb n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3rpb s LYS 543 N -1.41 1.01 -0.11 1.61 1.02 0.29 -1.64 119.74 120.49 3rpb s LYS 543 Ca 0.00 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.25 3rpb s LYS 543 Cb 0.00 -1.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.28 3rpb s LYS 543 CO 0.00 0.26 -0.22 -1.50 -0.92 0.00 0.00 175.35 172.97 3rpb s ILE 544 N -0.82 2.19 -0.42 2.17 -1.16 -0.52 0.12 121.20 122.77 3rpb s ILE 544 Ca 0.03 -0.97 -0.29 0.00 -0.51 0.00 0.00 60.65 58.91 3rpb s ILE 544 Cb -0.08 -1.85 0.02 0.00 0.61 0.00 0.00 42.46 41.16 3rpb s ILE 544 CO 0.01 0.55 1.13 -0.22 -2.81 0.00 0.00 174.94 173.61 3rpb s LEU 545 N 0.44 3.74 -0.14 8.50 2.96 0.57 -1.70 118.68 133.05 3rpb s LEU 545 Ca -0.16 0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 54.44 3rpb s LEU 545 Cb -0.17 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 3rpb s LEU 545 CO 0.06 -1.13 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.19 3rpb s VAL 546 N 4.22 3.51 -0.28 1.68 1.01 -0.31 -1.68 120.40 128.56 3rpb s VAL 546 Ca 0.48 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 3rpb s VAL 546 Cb -0.09 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.81 3rpb s VAL 546 CO 0.26 0.51 -0.02 -0.94 0.00 0.00 0.00 175.10 174.91 3rpb s SER 547 N 0.33 4.72 0.43 3.32 1.04 0.44 -1.66 113.70 122.32 3rpb s SER 547 Ca -0.07 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.26 3rpb s SER 547 Cb -0.15 -1.70 -0.00 0.00 0.10 0.00 0.00 66.02 64.26 3rpb s SER 547 CO 0.04 -0.21 0.64 -0.76 0.98 0.00 0.00 173.24 173.93 3rpb s LEU 548 N 1.29 3.69 0.00 2.42 1.43 0.77 0.24 118.68 128.52 3rpb s LEU 548 Ca -0.03 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3rpb s LEU 548 Cb -0.19 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 42.95 3rpb s LEU 548 CO -0.02 -0.67 0.00 0.80 0.23 0.00 0.00 176.35 176.69 3rpb n MET 549 N -2.01 0.00 -3.92 1.70 1.56 -0.05 -0.00 117.12 114.40 3rpb n MET 549 Ca 0.01 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.10 3rpb n MET 549 Cb 0.58 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.86 3rpb n MET 549 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 3rpb s TYR 550 N 0.00 3.31 -0.99 1.12 5.04 -0.72 0.16 117.35 125.27 3rpb s TYR 550 Ca 0.00 0.17 -0.08 0.00 -2.44 0.00 0.00 57.07 54.72 3rpb s TYR 550 Cb 0.00 -2.10 0.25 0.00 0.35 0.00 0.00 41.96 40.46 3rpb s TYR 550 CO 0.00 0.22 0.95 0.45 -1.34 0.00 0.00 175.55 175.82 3rpb s SER 551 N 0.31 6.86 0.46 4.32 0.15 0.31 -2.32 113.70 123.79 3rpb s SER 551 Ca 0.05 -3.40 0.23 0.00 0.70 0.00 0.00 55.95 53.53 3rpb s SER 551 Cb -0.12 -2.14 1.24 0.00 -1.71 0.00 0.00 66.02 63.30 3rpb s SER 551 CO -0.01 -0.33 1.84 0.71 1.20 0.00 0.00 173.24 176.65 3rpb h THR 552 N 4.05 0.58 -0.40 6.45 1.35 -1.90 0.65 112.91 123.70 3rpb h THR 552 Ca 0.15 -0.09 0.08 0.00 -0.55 0.00 0.00 66.41 66.00 3rpb h THR 552 Cb 0.90 0.30 -0.07 0.00 -1.73 0.00 0.00 68.15 67.55 3rpb h THR 552 CO 0.91 0.05 -0.08 1.56 -0.25 0.00 0.00 175.52 177.71 3rpb h GLN 553 N 0.25 0.02 0.00 4.72 7.50 -1.93 0.37 115.11 126.05 3rpb h GLN 553 Ca 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.65 3rpb h GLN 553 Cb 1.50 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.03 3rpb h GLN 553 CO -0.14 0.01 -0.43 1.96 -1.50 0.00 0.00 178.83 178.73 3rpb h GLN 554 N 0.02 0.00 -2.53 1.46 4.20 -1.05 -3.47 115.11 113.73 3rpb h GLN 554 Ca 0.19 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.78 3rpb h GLN 554 Cb 0.29 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.11 3rpb h GLN 554 CO -0.39 0.00 -0.21 0.41 -0.67 0.00 0.00 178.83 177.97 3rpb n GLY 555 N 1.30 0.48 3.60 3.46 0.00 0.20 -5.04 105.19 109.18 3rpb n GLY 555 Ca 0.04 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 3rpb n GLY 555 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3rpb s GLY 556 N -3.11 0.79 0.29 -0.02 0.00 -1.09 -4.08 107.32 100.10 3rpb s GLY 556 Ca 0.18 -1.04 0.04 0.00 0.00 0.00 0.00 44.72 43.89 3rpb s GLY 556 CO 0.23 -0.68 0.43 -2.27 0.00 0.00 0.00 173.10 170.81 3rpb s LEU 557 N -3.09 4.17 -0.10 0.66 2.96 -0.79 -0.53 118.68 121.97 3rpb s LEU 557 Ca 0.24 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.28 3rpb s LEU 557 Cb -0.01 -2.97 0.03 0.00 0.50 0.00 0.00 46.19 43.73 3rpb s LEU 557 CO 0.13 -0.20 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.29 3rpb s ILE 558 N -2.11 0.77 -0.24 6.68 -1.09 0.41 0.15 121.20 125.77 3rpb s ILE 558 Ca 0.37 -0.14 -0.07 0.00 -2.23 0.00 0.00 60.65 58.59 3rpb s ILE 558 Cb -0.09 -0.85 -0.03 0.00 -1.58 0.00 0.00 42.46 39.91 3rpb s ILE 558 CO 0.31 0.31 0.06 -0.69 -1.23 0.00 0.00 174.94 173.70 3rpb s VAL 559 N 1.81 4.23 -0.25 2.92 1.01 -1.06 -0.87 120.40 128.20 3rpb s VAL 559 Ca 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 3rpb s VAL 559 Cb -0.13 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3rpb s VAL 559 CO -0.07 0.36 0.01 -0.83 0.00 0.00 0.00 175.10 174.57 3rpb s GLY 560 N 1.52 1.69 -0.69 4.51 0.00 0.66 0.25 107.32 115.26 3rpb s GLY 560 Ca 0.06 -1.31 -0.17 0.00 0.00 0.00 0.00 44.72 43.30 3rpb s GLY 560 CO 0.03 0.53 0.74 -0.42 0.00 0.00 0.00 173.10 173.98 3rpb s ILE 561 N 1.48 5.11 0.00 0.90 -1.09 0.50 0.17 121.20 128.27 3rpb s ILE 561 Ca 0.04 -1.59 0.00 0.00 -2.23 0.00 0.00 60.65 56.86 3rpb s ILE 561 Cb -0.16 -4.49 0.00 0.00 -1.58 0.00 0.00 42.46 36.23 3rpb s ILE 561 CO -0.01 -1.10 0.32 -0.38 -1.23 0.00 0.00 174.94 172.54 3rpb n ILE 562 N 5.04 0.00 -3.82 2.92 -0.00 -0.67 0.26 119.36 123.08 3rpb n ILE 562 Ca 0.01 0.76 -0.08 0.00 -0.00 0.00 0.00 62.75 63.44 3rpb n ILE 562 Cb 0.44 -1.66 0.01 0.00 -0.00 0.00 0.00 39.64 38.44 3rpb n ILE 562 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3rpb s ARG 563 N -1.47 2.07 0.12 0.38 1.70 -1.22 0.25 118.95 120.79 3rpb s ARG 563 Ca 0.00 -1.29 0.03 0.00 -0.47 0.00 0.00 55.73 54.00 3rpb s ARG 563 Cb 0.00 0.61 -0.04 0.00 -0.57 0.00 0.00 34.95 34.95 3rpb s ARG 563 CO 0.00 -0.97 -0.09 0.00 -1.08 0.00 0.00 175.30 173.17 3rpb s VAL 565 N -3.42 0.03 -1.04 0.00 -7.23 0.33 -3.75 120.40 105.32 3rpb s VAL 565 Ca 0.14 -0.28 -0.04 0.00 -1.81 0.00 0.00 61.98 60.00 3rpb s VAL 565 Cb 0.04 -0.44 0.00 0.00 0.56 0.00 0.00 36.38 36.54 3rpb s VAL 565 CO -0.02 -0.15 0.89 1.57 -0.31 0.00 0.00 175.10 177.08 3rpb n HIS 566 N 2.19 -2.07 -2.25 2.82 -0.00 -1.22 0.10 115.22 114.79 3rpb n HIS 566 Ca -0.17 0.80 -0.31 0.00 0.46 0.00 0.00 57.72 58.49 3rpb n HIS 566 Cb 0.57 -4.40 -0.01 0.00 -0.12 0.00 0.00 29.99 26.02 3rpb n HIS 566 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3rpb s LEU 567 N -5.85 3.49 0.65 0.27 1.43 -0.98 0.14 118.68 117.83 3rpb s LEU 567 Ca 0.24 1.43 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 3rpb s LEU 567 Cb -0.11 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 41.69 3rpb s LEU 567 CO 0.59 -0.68 1.04 0.00 0.23 0.00 0.00 176.35 177.54 3rpb s ALA 568 N -2.82 2.86 -0.23 4.21 0.00 -1.26 -4.75 121.76 119.76 3rpb s ALA 568 Ca 0.56 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 3rpb s ALA 568 Cb -0.10 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3rpb s ALA 568 CO 0.41 -0.93 -0.03 0.00 0.00 0.00 0.00 175.76 175.21 3rpb s ALA 569 N -3.01 2.82 -0.24 0.00 0.00 -1.26 -4.24 121.76 115.83 3rpb s ALA 569 Ca 0.58 -1.26 0.20 0.00 0.00 0.00 0.00 51.96 51.48 3rpb s ALA 569 Cb -0.13 -1.75 0.05 0.00 0.00 0.00 0.00 23.12 21.29 3rpb s ALA 569 CO 0.51 -0.56 1.17 0.52 0.00 0.00 0.00 175.76 177.40 3rpb h MET 570 N 8.11 0.00 -6.75 0.00 2.86 -1.50 -3.45 114.93 114.20 3rpb h MET 570 Ca -0.39 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 56.76 3rpb h MET 570 Cb 1.15 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.82 3rpb h MET 570 CO 0.60 0.14 0.01 -0.51 1.06 0.00 0.00 176.91 178.21 3rpb s ASP 571 N -5.80 6.37 0.00 1.22 1.01 -1.01 -4.96 116.67 113.50 3rpb s ASP 571 Ca 0.01 0.85 0.19 0.00 0.71 0.00 0.00 52.55 54.32 3rpb s ASP 571 Cb 0.08 -2.21 1.05 0.00 1.01 0.00 0.00 42.92 42.85 3rpb s ASP 571 CO 0.76 -0.41 1.57 0.00 0.21 0.00 0.00 175.17 177.31 3rpb n ALA 572 N -1.66 2.10 0.86 5.23 0.00 -1.26 -2.27 120.51 123.50 3rpb n ALA 572 Ca -0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.46 3rpb n ALA 572 Cb 0.55 -1.31 0.42 0.00 0.00 0.00 0.00 19.45 19.10 3rpb n ALA 572 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3rpb n ASN 573 N -1.16 0.40 0.00 0.00 2.85 -1.26 -4.91 115.26 111.17 3rpb n ASN 573 Ca 0.11 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 3rpb n ASN 573 Cb 0.11 -0.27 0.00 0.00 1.24 0.00 0.00 39.78 40.86 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3rpb n GLY 574 N 1.44 0.82 0.00 8.20 0.00 -0.96 -5.07 105.19 109.61 3rpb n GLY 574 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3rpb n GLY 574 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3rpb n TYR 575 N -2.17 0.00 -3.82 1.61 4.02 -1.26 -4.53 117.16 111.02 3rpb n TYR 575 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 3rpb n TYR 575 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.34 3rpb n TYR 575 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3rpb s SER 576 N -0.71 -0.04 -0.52 7.72 0.01 -1.26 -1.18 113.70 117.73 3rpb s SER 576 Ca 0.00 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.28 3rpb s SER 576 Cb 0.00 0.82 0.36 0.00 0.21 0.00 0.00 66.02 67.41 3rpb s SER 576 CO 0.00 -1.62 0.95 0.47 0.41 0.00 0.00 173.24 173.46 3rpb n ASP 577 N -1.24 4.05 -4.76 2.44 8.00 -1.26 -0.02 116.55 123.75 3rpb n ASP 577 Ca -0.08 -3.59 -0.41 0.00 0.71 0.00 0.00 54.79 51.42 3rpb n ASP 577 Cb 0.60 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 41.13 3rpb n ASP 577 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3rpb s PRO 578 N -3.36 4.32 0.11 -0.24 0.04 -1.21 0.22 135.00 134.88 3rpb s PRO 578 Ca 0.47 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.77 3rpb s PRO 578 Cb 0.31 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 3rpb s PRO 578 CO -0.14 -0.28 -0.03 -0.59 0.04 0.00 0.00 177.00 176.00 3rpb s PHE 579 N -0.70 0.93 -0.13 0.56 -0.71 0.10 -2.03 117.98 115.99 3rpb s PHE 579 Ca 0.53 -0.99 0.01 0.00 -1.04 0.00 0.00 56.93 55.44 3rpb s PHE 579 Cb -0.41 -0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 40.86 3rpb s PHE 579 CO 0.49 -0.22 -0.16 0.08 -1.34 0.00 0.00 175.22 174.07 3rpb s VAL 580 N -3.70 2.68 -0.10 -2.49 1.01 -1.26 -0.71 120.40 115.83 3rpb s VAL 580 Ca 0.15 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3rpb s VAL 580 Cb 0.06 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3rpb s VAL 580 CO -0.03 0.53 -0.09 -0.54 0.00 0.00 0.00 175.10 174.98 3rpb s LYS 581 N 0.52 3.03 -0.04 2.72 1.02 0.17 0.13 119.74 127.28 3rpb s LYS 581 Ca -0.11 -0.59 0.05 0.00 0.02 0.00 0.00 55.97 55.34 3rpb s LYS 581 Cb -0.16 -2.63 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 3rpb s LYS 581 CO 0.04 0.48 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.26 3rpb s LEU 582 N -0.33 1.97 -0.13 3.17 1.02 -0.86 -0.66 118.68 122.86 3rpb s LEU 582 Ca 0.04 -0.37 -0.04 0.00 0.02 0.00 0.00 54.13 53.79 3rpb s LEU 582 Cb -0.13 -1.02 0.06 0.00 0.02 0.00 0.00 46.19 45.12 3rpb s LEU 582 CO 0.02 0.19 0.16 0.86 0.02 0.00 0.00 176.35 177.60 3rpb s TRP 583 N -0.12 -0.13 -0.24 0.29 -0.00 -1.09 0.12 118.94 117.77 3rpb s TRP 583 Ca -0.01 0.34 -0.17 0.00 -0.00 0.00 0.00 56.10 56.26 3rpb s TRP 583 Cb -0.11 -0.37 -0.03 0.00 -0.00 0.00 0.00 33.47 32.96 3rpb s TRP 583 CO 0.01 -0.39 0.46 -1.17 -0.00 0.00 0.00 176.95 175.87 3rpb s LEU 584 N 2.27 4.08 0.13 5.86 2.96 -1.17 -1.66 118.68 131.14 3rpb s LEU 584 Ca 0.04 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 3rpb s LEU 584 Cb -0.14 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 3rpb s LEU 584 CO -0.08 -0.21 0.28 -0.54 -1.32 0.00 0.00 176.35 174.48 3rpb s LYS 585 N 2.00 3.45 1.11 1.98 1.02 -0.89 -4.31 119.74 124.10 3rpb s LYS 585 Ca 0.20 -0.53 -0.19 0.00 0.02 0.00 0.00 55.97 55.47 3rpb s LYS 585 Cb -0.15 -2.97 0.27 0.00 -0.52 0.00 0.00 37.83 34.46 3rpb s LYS 585 CO 0.09 0.53 1.14 -2.30 -0.92 0.00 0.00 175.35 173.89 3rpb n PRO 586 N -0.37 -2.46 -2.86 -1.68 -0.02 -1.26 -2.26 135.00 124.08 3rpb n PRO 586 Ca -0.06 -1.80 -0.43 0.00 -2.02 0.00 0.00 63.50 59.19 3rpb n PRO 586 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.47 3rpb n PRO 586 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3rpb s ASP 587 N -4.82 6.28 0.05 2.55 1.47 -1.26 -4.86 116.67 116.09 3rpb s ASP 587 Ca 0.70 -0.56 0.10 0.00 1.18 0.00 0.00 52.55 53.98 3rpb s ASP 587 Cb -0.05 -2.42 -0.21 0.00 -0.34 0.00 0.00 42.92 39.90 3rpb s ASP 587 CO 0.52 -1.26 0.99 0.24 0.68 0.00 0.00 175.17 176.34 3rpb h MET 588 N 9.36 0.00 0.00 2.11 0.00 -1.97 -3.48 114.93 120.95 3rpb h MET 588 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.43 3rpb h MET 588 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.67 3rpb h MET 588 CO 1.10 0.72 0.00 0.41 0.00 0.00 0.00 176.91 179.15 3rpb n GLY 589 N 1.44 4.97 0.00 8.32 0.00 -1.26 -5.07 105.19 113.59 3rpb n GLY 589 Ca -0.08 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3rpb n GLY 589 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3rpb n LYS 590 N 0.00 0.54 -0.05 1.61 3.00 -1.26 -4.73 118.16 117.27 3rpb n LYS 590 Ca 0.00 -0.62 0.02 0.00 -0.00 0.00 0.00 58.31 57.71 3rpb n LYS 590 Cb 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 35.03 34.45 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3rpb n LYS 591 N -0.10 1.69 -0.08 1.64 4.76 -1.26 -4.64 118.16 120.17 3rpb n LYS 591 Ca 0.00 -1.37 0.25 0.00 -2.87 0.00 0.00 58.31 54.32 3rpb n LYS 591 Cb 0.38 -1.11 0.72 0.00 -1.84 0.00 0.00 35.03 33.18 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3rpb h ALA 592 N 0.89 2.61 -2.31 7.82 0.00 -1.90 -3.41 119.26 122.96 3rpb h ALA 592 Ca 0.00 -0.02 -0.50 0.00 0.00 0.00 0.00 54.91 54.39 3rpb h ALA 592 Cb 0.45 0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.32 3rpb h ALA 592 CO 0.00 -0.91 0.21 0.15 0.00 0.00 0.00 179.25 178.71 3rpb s LYS 593 N -4.90 3.65 0.31 0.00 1.02 -1.24 -3.06 119.74 115.51 3rpb s LYS 593 Ca -0.05 0.47 -0.11 0.00 0.02 0.00 0.00 55.97 56.30 3rpb s LYS 593 Cb 0.20 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3rpb s LYS 593 CO 0.71 -0.26 0.57 -1.01 -0.92 0.00 0.00 175.35 174.44 3rpb s HIS 594 N -2.76 0.46 -0.30 3.18 3.76 0.33 -4.87 115.29 115.09 3rpb s HIS 594 Ca 0.51 -0.86 -0.07 0.00 -0.15 0.00 0.00 55.06 54.49 3rpb s HIS 594 Cb -0.10 0.31 0.16 0.00 1.11 0.00 0.00 32.58 34.05 3rpb s HIS 594 CO 0.43 -1.19 0.67 -1.59 -0.85 0.00 0.00 174.74 172.20 3rpb s LYS 595 N -3.34 0.54 0.66 1.40 0.00 -1.25 -2.03 119.74 115.72 3rpb s LYS 595 Ca 0.22 1.18 -0.14 0.00 0.00 0.00 0.00 55.97 57.23 3rpb s LYS 595 Cb -0.02 0.69 -0.00 0.00 0.00 0.00 0.00 37.83 38.49 3rpb s LYS 595 CO 0.13 -0.37 1.07 0.95 0.00 0.00 0.00 175.35 177.13 3rpb s THR 596 N 2.86 3.69 0.35 3.79 -4.23 0.34 -4.92 115.64 117.52 3rpb s THR 596 Ca 0.06 0.69 -0.23 0.00 -1.18 0.00 0.00 61.69 61.03 3rpb s THR 596 Cb -0.13 -3.27 -0.16 0.00 1.34 0.00 0.00 72.50 70.28 3rpb s THR 596 CO -0.19 -0.58 0.21 0.00 -0.54 0.00 0.00 174.62 173.52 3rpb n GLN 597 N -2.60 0.00 -2.52 3.99 1.13 -1.26 -4.23 117.38 111.89 3rpb n GLN 597 Ca 0.09 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.72 3rpb n GLN 597 Cb 0.53 -1.00 -0.02 0.00 0.11 0.00 0.00 30.24 29.85 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3rpb s ILE 598 N -1.48 4.43 -1.21 5.09 -1.09 -1.26 -4.65 121.20 121.03 3rpb s ILE 598 Ca 0.61 1.73 -0.07 0.00 -2.23 0.00 0.00 60.65 60.69 3rpb s ILE 598 Cb -0.72 -4.11 0.22 0.00 -1.58 0.00 0.00 42.46 36.26 3rpb s ILE 598 CO 0.61 -0.06 1.82 0.29 -1.23 0.00 0.00 174.94 176.36 3rpb n LYS 599 N 5.70 4.14 -2.03 2.79 4.01 -0.86 -5.00 118.16 126.91 3rpb n LYS 599 Ca 0.11 -3.92 -0.41 0.00 -0.51 0.00 0.00 58.31 53.59 3rpb n LYS 599 Cb 0.46 -2.73 -0.02 0.00 -0.51 0.00 0.00 35.03 32.24 3rpb n LYS 599 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3rpb s LYS 600 N -1.13 4.28 -0.82 1.97 1.02 -1.26 -3.30 119.74 120.51 3rpb s LYS 600 Ca 0.39 2.30 -0.04 0.00 0.02 0.00 0.00 55.97 58.64 3rpb s LYS 600 Cb 0.10 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 3rpb s LYS 600 CO 0.02 -0.33 0.71 1.63 -0.92 0.00 0.00 175.35 176.45 3rpb n LYS 601 N 1.39 -2.43 0.00 1.68 4.76 -0.34 -4.91 118.16 118.31 3rpb n LYS 601 Ca 0.03 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 3rpb n LYS 601 Cb 0.41 -4.85 0.00 0.00 -1.84 0.00 0.00 35.03 28.75 3rpb n LYS 601 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3rpb n THR 602 N -2.93 0.00 0.05 -0.18 5.66 0.97 -4.89 114.28 112.97 3rpb n THR 602 Ca -0.09 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.92 3rpb n THR 602 Cb 0.60 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.37 3rpb n THR 602 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3rpb n LEU 603 N 0.00 0.05 -2.56 1.09 4.77 -1.26 -3.98 117.00 115.11 3rpb n LEU 603 Ca 0.00 -0.43 -0.15 0.00 -0.03 0.00 0.00 56.01 55.39 3rpb n LEU 603 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3rpb n LEU 603 CO 0.00 0.01 0.03 0.59 -1.33 0.00 0.00 177.39 176.69 3rpb n ASN 604 N -1.10 2.90 -2.59 -1.43 3.02 -1.26 -2.32 115.26 112.48 3rpb n ASN 604 Ca 0.00 -3.07 -0.08 0.00 -0.03 0.00 0.00 54.58 51.40 3rpb n ASN 604 Cb 0.02 -0.48 0.06 0.00 -0.61 0.00 0.00 39.78 38.77 3rpb n ASN 604 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3rpb n PRO 605 N -0.33 -0.70 -3.81 3.52 -0.04 -1.25 -4.85 135.00 127.53 3rpb n PRO 605 Ca 0.22 -0.53 -0.27 0.00 -0.04 0.00 0.00 63.50 62.89 3rpb n PRO 605 Cb 0.78 -0.39 -0.17 0.00 -0.04 0.00 0.00 33.50 33.68 3rpb n PRO 605 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3rpb s GLU 606 N -3.75 1.00 -0.11 0.54 2.02 -1.26 -3.02 118.70 114.12 3rpb s GLU 606 Ca 0.20 -0.33 -0.08 0.00 0.02 0.00 0.00 54.97 54.78 3rpb s GLU 606 Cb -0.01 -1.77 -0.07 0.00 0.10 0.00 0.00 34.13 32.38 3rpb s GLU 606 CO 0.14 -0.46 0.21 0.74 0.02 0.00 0.00 175.26 175.91 3rpb h PHE 607 N 8.21 0.00 -6.25 1.61 0.04 0.33 -3.47 116.94 117.40 3rpb h PHE 607 Ca -0.21 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.11 3rpb h PHE 607 Cb 1.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 3rpb h PHE 607 CO 0.41 0.27 -0.82 -1.71 -0.60 0.00 0.00 178.31 175.86 3rpb n ASN 608 N -4.73 -2.12 -4.61 2.17 5.15 0.72 -4.89 115.26 106.94 3rpb n ASN 608 Ca -0.03 -0.85 -0.34 0.00 -0.60 0.00 0.00 54.58 52.76 3rpb n ASN 608 Cb 0.13 -3.78 -0.10 0.00 -0.53 0.00 0.00 39.78 35.50 3rpb n ASN 608 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3rpb s GLU 609 N -6.30 3.54 -0.32 1.20 0.41 0.28 -4.91 118.70 112.60 3rpb s GLU 609 Ca 0.22 -0.42 -0.06 0.00 -0.41 0.00 0.00 54.97 54.31 3rpb s GLU 609 Cb -0.11 -2.97 0.03 0.00 -1.78 0.00 0.00 34.13 29.30 3rpb s GLU 609 CO 0.84 0.42 0.08 -1.21 -0.49 0.00 0.00 175.26 174.90 3rpb s GLU 610 N -0.09 2.69 0.55 1.61 0.41 -1.26 0.19 118.70 122.81 3rpb s GLU 610 Ca 0.04 -1.12 0.03 0.00 -0.41 0.00 0.00 54.97 53.51 3rpb s GLU 610 Cb -0.13 -3.39 0.04 0.00 -1.78 0.00 0.00 34.13 28.88 3rpb s GLU 610 CO 0.02 -0.61 0.77 -0.06 -0.49 0.00 0.00 175.26 174.89 3rpb s PHE 611 N 1.40 2.61 -0.08 1.61 0.40 0.69 -4.93 117.98 119.68 3rpb s PHE 611 Ca -0.01 -0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.14 3rpb s PHE 611 Cb -0.19 -2.69 0.05 0.00 0.51 0.00 0.00 43.02 40.69 3rpb s PHE 611 CO 0.02 -0.92 0.16 0.12 0.70 0.00 0.00 175.22 175.30 3rpb s PHE 612 N -2.74 -0.19 0.13 0.36 5.36 -1.26 -2.56 117.98 117.08 3rpb s PHE 612 Ca 0.58 0.61 0.03 0.00 -0.96 0.00 0.00 56.93 57.20 3rpb s PHE 612 Cb -0.09 -0.23 -0.04 0.00 -0.34 0.00 0.00 43.02 42.32 3rpb s PHE 612 CO 0.38 -0.26 0.18 0.71 -1.46 0.00 0.00 175.22 174.78 3rpb s TYR 613 N 2.15 3.32 -0.87 10.12 1.51 0.40 -4.94 117.35 129.04 3rpb s TYR 613 Ca 0.01 0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.17 3rpb s TYR 613 Cb -0.12 -1.62 0.29 0.00 -0.11 0.00 0.00 41.96 40.40 3rpb s TYR 613 CO -0.06 0.53 1.22 -3.47 -1.11 0.00 0.00 175.55 172.66 3rpb n ASP 614 N -0.17 5.44 -3.92 2.29 2.03 -1.26 -1.88 116.55 119.07 3rpb n ASP 614 Ca -0.07 -3.49 -0.17 0.00 0.52 0.00 0.00 54.79 51.58 3rpb n ASP 614 Cb 0.53 -0.98 -0.15 0.00 -0.72 0.00 0.00 41.12 39.80 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3rpb s ILE 615 N -3.04 0.40 0.34 5.18 1.10 -1.26 -5.00 121.20 118.93 3rpb s ILE 615 Ca 0.37 -0.15 -0.28 0.00 -0.51 0.00 0.00 60.65 60.08 3rpb s ILE 615 Cb 0.12 -0.38 -0.10 0.00 0.15 0.00 0.00 42.46 42.26 3rpb s ILE 615 CO 0.02 0.14 1.22 -0.54 -2.11 0.00 0.00 174.94 173.67 3rpb s LYS 616 N 0.28 4.33 0.24 3.50 -0.14 -1.26 -3.85 119.74 122.84 3rpb s LYS 616 Ca -0.03 2.02 -0.06 0.00 -1.36 0.00 0.00 55.97 56.55 3rpb s LYS 616 Cb -0.07 -2.98 0.43 0.00 -1.68 0.00 0.00 37.83 33.53 3rpb s LYS 616 CO -0.00 -0.14 1.70 1.25 -0.76 0.00 0.00 175.35 177.39 3rpb h HIS 617 N 3.26 0.32 -0.28 3.18 -0.00 -1.92 0.56 115.15 120.26 3rpb h HIS 617 Ca -0.48 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.01 3rpb h HIS 617 Cb 1.23 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 3rpb h HIS 617 CO 0.56 -0.04 0.46 1.03 -0.00 0.00 0.00 177.93 179.94 3rpb h SER 618 N 0.31 0.00 0.00 3.26 0.87 -2.00 -0.15 113.55 115.83 3rpb h SER 618 Ca 0.40 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.66 3rpb h SER 618 Cb 0.65 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.56 3rpb h SER 618 CO -0.47 0.00 -2.13 0.47 -0.53 0.00 0.00 176.83 174.17 3rpb n ASP 619 N -3.36 1.13 -0.10 6.23 9.92 0.15 -4.66 116.55 125.86 3rpb n ASP 619 Ca 0.05 -0.01 -0.03 0.00 -0.53 0.00 0.00 54.79 54.26 3rpb n ASP 619 Cb 0.59 0.76 -0.02 0.00 -0.64 0.00 0.00 41.12 41.81 3rpb n ASP 619 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3rpb n LEU 620 N -2.66 -0.26 -0.36 0.64 7.99 0.14 0.02 117.00 122.51 3rpb n LEU 620 Ca -0.28 0.93 -0.02 0.00 -0.01 0.00 0.00 56.01 56.63 3rpb n LEU 620 Cb 1.02 -0.30 0.02 0.00 -0.11 0.00 0.00 43.42 44.05 3rpb n LEU 620 CO 0.33 -0.60 0.53 0.00 -1.51 0.00 0.00 177.39 176.14 3rpb n ALA 621 N -2.97 -0.17 0.24 -1.18 0.00 -1.23 0.28 120.51 115.48 3rpb n ALA 621 Ca 0.00 0.90 0.13 0.00 0.00 0.00 0.00 53.44 54.48 3rpb n ALA 621 Cb 0.06 -0.38 0.65 0.00 0.00 0.00 0.00 19.45 19.79 3rpb n ALA 621 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3rpb h LYS 622 N 0.00 0.00 -7.44 0.00 1.57 -0.68 -2.74 116.57 107.28 3rpb h LYS 622 Ca 0.30 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.66 3rpb h LYS 622 Cb 0.53 0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.03 3rpb h LYS 622 CO -0.91 0.00 0.17 0.15 -0.57 0.00 0.00 179.45 178.29 3rpb s LYS 623 N -3.58 -0.85 -0.28 3.15 -0.14 0.81 -4.81 119.74 114.03 3rpb s LYS 623 Ca -0.01 -0.05 0.02 0.00 -1.36 0.00 0.00 55.97 54.57 3rpb s LYS 623 Cb 0.08 -1.64 0.16 0.00 -1.68 0.00 0.00 37.83 34.75 3rpb s LYS 623 CO 0.28 -3.47 0.44 -1.12 -0.76 0.00 0.00 175.35 170.72 3rpb s SER 624 N -3.96 -0.01 -0.04 2.83 0.01 -0.96 -3.39 113.70 108.19 3rpb s SER 624 Ca 0.71 -0.13 -0.30 0.00 1.31 0.00 0.00 55.95 57.54 3rpb s SER 624 Cb -0.10 1.29 -0.02 0.00 0.21 0.00 0.00 66.02 67.40 3rpb s SER 624 CO 0.56 -0.33 0.99 -0.22 0.41 0.00 0.00 173.24 174.65 3rpb s LEU 625 N 2.60 4.32 -0.53 2.44 2.96 0.24 -2.10 118.68 128.61 3rpb s LEU 625 Ca 0.11 1.61 -0.05 0.00 -0.22 0.00 0.00 54.13 55.58 3rpb s LEU 625 Cb -0.13 -3.56 0.14 0.00 0.50 0.00 0.00 46.19 43.14 3rpb s LEU 625 CO -0.27 -0.34 0.36 -0.62 -1.32 0.00 0.00 176.35 174.17 3rpb s ASP 626 N 1.05 5.49 -0.60 3.68 -1.08 -0.67 0.26 116.67 124.79 3rpb s ASP 626 Ca 0.51 -2.31 -0.20 0.00 -0.52 0.00 0.00 52.55 50.02 3rpb s ASP 626 Cb -0.20 -1.92 0.09 0.00 -1.46 0.00 0.00 42.92 39.43 3rpb s ASP 626 CO 0.24 -0.53 0.79 -0.63 0.52 0.00 0.00 175.17 175.56 3rpb s ILE 627 N 0.74 4.65 -0.08 4.11 1.09 -0.32 -2.66 121.20 128.74 3rpb s ILE 627 Ca 0.11 -0.69 0.02 0.00 -1.10 0.00 0.00 60.65 58.99 3rpb s ILE 627 Cb -0.22 -4.54 -0.02 0.00 -1.06 0.00 0.00 42.46 36.62 3rpb s ILE 627 CO -0.03 -1.20 -0.12 -0.94 -0.10 0.00 0.00 174.94 172.55 3rpb s SER 628 N 3.52 4.19 -0.21 3.58 1.04 0.17 -0.45 113.70 125.54 3rpb s SER 628 Ca 0.16 -0.19 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 3rpb s SER 628 Cb -0.21 -1.15 -0.03 0.00 0.10 0.00 0.00 66.02 64.73 3rpb s SER 628 CO 0.09 0.30 0.03 -0.69 0.98 0.00 0.00 173.24 173.94 3rpb s VAL 629 N -0.42 4.14 0.09 5.02 1.01 0.52 0.45 120.40 131.21 3rpb s VAL 629 Ca 0.05 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.88 3rpb s VAL 629 Cb -0.12 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3rpb s VAL 629 CO 0.02 0.40 -0.22 0.26 0.00 0.00 0.00 175.10 175.56 3rpb s TRP 630 N 1.13 1.92 -0.38 5.22 0.52 0.11 -0.46 118.94 127.00 3rpb s TRP 630 Ca 0.03 -0.40 -0.25 0.00 0.02 0.00 0.00 56.10 55.50 3rpb s TRP 630 Cb -0.14 -1.07 0.01 0.00 -1.15 0.00 0.00 33.47 31.12 3rpb s TRP 630 CO 0.02 0.20 0.88 0.34 0.02 0.00 0.00 176.95 178.42 3rpb s ASP 631 N -1.75 6.62 0.92 2.95 -1.08 0.72 0.01 116.67 125.06 3rpb s ASP 631 Ca 0.08 0.47 -0.12 0.00 -0.52 0.00 0.00 52.55 52.46 3rpb s ASP 631 Cb -0.10 -2.44 0.14 0.00 -1.46 0.00 0.00 42.92 39.06 3rpb s ASP 631 CO 0.04 -0.84 1.10 -0.47 0.52 0.00 0.00 175.17 175.52 3rpb s TYR 632 N 3.39 2.33 -0.29 -5.34 6.14 0.59 0.66 117.35 124.84 3rpb s TYR 632 Ca 0.36 1.13 -0.14 0.00 0.64 0.00 0.00 57.07 59.06 3rpb s TYR 632 Cb -0.12 -3.21 0.10 0.00 0.42 0.00 0.00 41.96 39.15 3rpb s TYR 632 CO 0.19 -2.47 0.68 -0.51 0.64 0.00 0.00 175.55 174.08 3rpb s ASP 633 N -3.54 -1.02 -0.01 4.32 1.01 -1.26 -4.25 116.67 111.92 3rpb s ASP 633 Ca 0.64 1.54 -0.23 0.00 0.71 0.00 0.00 52.55 55.21 3rpb s ASP 633 Cb -0.17 1.71 -0.05 0.00 1.01 0.00 0.00 42.92 45.42 3rpb s ASP 633 CO 0.56 -0.23 0.68 0.27 0.21 0.00 0.00 175.17 176.66 3rpb s ILE 634 N 2.08 4.90 0.00 0.77 -0.00 -1.26 -3.67 121.20 124.02 3rpb s ILE 634 Ca -0.09 1.42 0.00 0.00 -0.00 0.00 0.00 60.65 61.98 3rpb s ILE 634 Cb -0.07 -4.02 0.00 0.00 -0.00 0.00 0.00 42.46 38.37 3rpb s ILE 634 CO -0.20 0.35 0.00 0.61 -0.00 0.00 0.00 174.94 175.70 3rpb n GLY 635 N 2.64 0.44 0.00 6.27 0.00 -1.26 -4.91 105.19 108.37 3rpb n GLY 635 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3rpb n GLY 635 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3rpb n LYS 636 N -1.71 0.69 -4.09 1.61 5.02 -1.24 -5.15 118.16 113.28 3rpb n LYS 636 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3rpb n LYS 636 Cb 0.08 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.00 3rpb n LYS 636 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3rpb s SER 637 N 0.52 5.78 0.55 4.39 0.15 -1.26 -4.81 113.70 119.03 3rpb s SER 637 Ca 0.00 0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.91 3rpb s SER 637 Cb 0.00 -1.82 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 3rpb s SER 637 CO 0.00 0.34 0.00 -0.46 1.20 0.00 0.00 173.24 174.32 3rpb n ASN 638 N 2.42 -1.10 -3.62 5.45 6.94 -1.26 -4.62 115.26 119.47 3rpb n ASN 638 Ca -0.19 0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 54.22 3rpb n ASN 638 Cb 0.54 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.89 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3rpb s ASP 639 N -1.92 -0.60 -0.26 0.53 1.11 0.21 -4.92 116.67 110.82 3rpb s ASP 639 Ca 0.00 0.92 -0.25 0.00 0.18 0.00 0.00 52.55 53.40 3rpb s ASP 639 Cb 0.00 0.89 -0.00 0.00 1.07 0.00 0.00 42.92 44.88 3rpb s ASP 639 CO 0.00 -0.40 0.87 -0.47 1.18 0.00 0.00 175.17 176.35 3rpb s TYR 640 N -0.44 3.28 -0.24 4.23 6.14 -1.26 0.26 117.35 129.31 3rpb s TYR 640 Ca -0.06 1.12 -0.04 0.00 0.64 0.00 0.00 57.07 58.73 3rpb s TYR 640 Cb -0.03 -3.16 -0.18 0.00 0.42 0.00 0.00 41.96 39.01 3rpb s TYR 640 CO 0.05 -0.47 -0.12 -0.89 0.64 0.00 0.00 175.55 174.75 3rpb n ILE 641 N 5.37 1.55 0.00 3.14 5.41 -0.50 -4.81 119.36 129.53 3rpb n ILE 641 Ca 0.07 -0.52 0.00 0.00 1.00 0.00 0.00 62.75 63.30 3rpb n ILE 641 Cb 0.47 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 3rpb n ILE 641 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3rpb n GLY 642 N 1.97 3.64 0.00 7.39 0.00 0.39 -4.81 105.19 113.78 3rpb n GLY 642 Ca -0.44 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3rpb n GLY 642 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3rpb n GLY 643 N -1.35 2.57 3.59 -0.02 0.00 -0.21 0.20 105.19 109.97 3rpb n GLY 643 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 3rpb n GLY 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3rpb s GLN 645 N -0.45 3.80 -0.38 0.00 -0.21 -1.26 -1.17 119.66 119.98 3rpb s GLN 645 Ca -0.02 0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.63 3rpb s GLN 645 Cb -0.03 -2.68 0.15 0.00 1.00 0.00 0.00 33.01 31.45 3rpb s GLN 645 CO 0.01 0.34 0.24 -0.51 -2.12 0.00 0.00 175.29 173.26 3rpb s LEU 646 N -2.74 1.36 0.02 2.90 1.43 0.72 -4.75 118.68 117.61 3rpb s LEU 646 Ca 0.46 -2.43 0.03 0.00 -1.03 0.00 0.00 54.13 51.16 3rpb s LEU 646 Cb -0.12 -0.51 -0.01 0.00 0.03 0.00 0.00 46.19 45.58 3rpb s LEU 646 CO 0.21 -0.27 -0.10 -0.83 0.23 0.00 0.00 176.35 175.59 3rpb s GLY 647 N 0.75 0.56 0.13 -3.19 0.00 -1.26 0.82 107.32 105.13 3rpb s GLY 647 Ca 0.21 -0.59 0.11 0.00 0.00 0.00 0.00 44.72 44.44 3rpb s GLY 647 CO -0.03 -0.57 1.32 4.51 0.00 0.00 0.00 173.10 178.34 3rpb n ILE 648 N 2.28 1.49 0.47 0.90 3.06 -1.03 -0.49 119.36 126.04 3rpb n ILE 648 Ca -0.17 0.55 0.04 0.00 -2.50 0.00 0.00 62.75 60.67 3rpb n ILE 648 Cb 0.56 -1.52 0.17 0.00 0.54 0.00 0.00 39.64 39.39 3rpb n ILE 648 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 3rpb n SER 649 N -1.82 2.61 -3.86 9.51 2.88 -1.26 -4.88 113.62 116.79 3rpb n SER 649 Ca -0.00 -2.24 -0.16 0.00 -1.33 0.00 0.00 58.87 55.14 3rpb n SER 649 Cb 0.04 -0.43 0.08 0.00 -0.75 0.00 0.00 64.21 63.15 3rpb n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3rpb n ALA 650 N 0.39 0.30 -3.63 -1.46 0.00 0.36 -5.11 120.51 111.37 3rpb n ALA 650 Ca 0.12 -1.41 -0.10 0.00 0.00 0.00 0.00 53.44 52.06 3rpb n ALA 650 Cb 0.51 0.27 -0.09 0.00 0.00 0.00 0.00 19.45 20.14 3rpb n ALA 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3rpb s LYS 651 N -4.21 0.53 0.00 0.00 -0.14 -1.26 -4.73 119.74 109.93 3rpb s LYS 651 Ca 0.46 0.91 0.00 0.00 -1.36 0.00 0.00 55.97 55.98 3rpb s LYS 651 Cb -0.03 0.09 0.00 0.00 -1.68 0.00 0.00 37.83 36.21 3rpb s LYS 651 CO 0.30 -0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.16 3rpb n GLY 652 N 3.99 2.35 1.35 -3.33 0.00 -1.26 -4.71 105.19 103.58 3rpb n GLY 652 Ca -0.20 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3rpb n GLY 652 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3rpb n GLU 653 N 0.00 0.00 -0.34 1.61 0.28 -1.26 -4.79 120.64 116.14 3rpb n GLU 653 Ca 0.00 0.00 0.36 0.00 -0.16 0.00 0.00 57.16 57.36 3rpb n GLU 653 Cb 0.00 -0.09 0.64 0.00 1.43 0.00 0.00 31.44 33.41 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3rpb h ARG 654 N 0.00 0.00 0.13 3.44 3.08 -1.85 0.76 114.38 119.93 3rpb h ARG 654 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 3rpb h ARG 654 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3rpb h ARG 654 CO 0.00 0.00 -1.32 1.25 -1.07 0.00 0.00 179.97 178.83 3rpb h LEU 655 N 0.00 0.42 -0.02 3.04 5.85 -1.85 -3.07 115.31 119.68 3rpb h LEU 655 Ca 0.60 -0.88 0.02 0.00 0.84 0.00 0.00 57.88 58.47 3rpb h LEU 655 Cb 2.87 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 43.72 3rpb h LEU 655 CO -0.01 1.59 -0.48 0.11 -0.34 0.00 0.00 178.44 179.31 3rpb h LYS 656 N -0.29 -0.56 0.47 1.25 1.57 0.23 0.46 116.57 119.70 3rpb h LYS 656 Ca -0.28 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3rpb h LYS 656 Cb 1.77 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.21 3rpb h LYS 656 CO 0.09 -0.38 -0.23 1.25 -0.57 0.00 0.00 179.45 179.61 3rpb h HIS 657 N -0.59 -0.59 0.00 -1.35 2.76 -1.67 -1.19 115.15 112.53 3rpb h HIS 657 Ca 0.01 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3rpb h HIS 657 Cb 0.64 0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.79 3rpb h HIS 657 CO -0.52 -0.28 0.00 1.87 -1.30 0.00 0.00 177.93 177.71 3rpb n TRP 658 N -5.28 0.00 0.05 5.26 -0.00 -1.16 -2.10 117.44 114.21 3rpb n TRP 658 Ca -0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.25 3rpb n TRP 658 Cb 0.30 -0.47 -0.09 0.00 -0.00 0.00 0.00 31.31 31.05 3rpb n TRP 658 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 3rpb h TYR 659 N 0.00 -1.37 -1.21 5.87 5.03 -0.20 0.25 116.97 125.34 3rpb h TYR 659 Ca 0.00 0.04 0.35 0.00 2.58 0.00 0.00 58.73 61.70 3rpb h TYR 659 Cb 0.00 0.60 -0.05 0.00 1.55 0.00 0.00 36.73 38.83 3rpb h TYR 659 CO -0.18 -0.50 1.09 1.05 -1.32 0.00 0.00 178.16 178.29 3rpb h GLU 660 N -0.59 0.00 -0.44 1.82 4.11 -1.25 2.24 114.58 120.46 3rpb h GLU 660 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.36 3rpb h GLU 660 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3rpb h GLU 660 CO -0.31 0.00 -0.03 0.00 0.07 0.00 0.00 179.01 178.74 3rpb h LEU 662 N 0.64 0.00 0.13 0.00 4.07 0.39 0.26 115.31 120.80 3rpb h LEU 662 Ca 0.12 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.87 3rpb h LEU 662 Cb 0.55 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.31 3rpb h LEU 662 CO 0.03 0.00 -0.90 0.07 -1.08 0.00 0.00 178.44 176.56 3rpb h LYS 663 N 0.00 0.37 -1.85 1.13 2.10 -1.18 -3.33 116.57 113.82 3rpb h LYS 663 Ca 0.12 -0.58 -0.74 0.00 -2.00 0.00 0.00 60.65 57.46 3rpb h LYS 663 Cb 0.58 0.21 -0.29 0.00 -0.90 0.00 0.00 32.23 31.82 3rpb h LYS 663 CO -0.00 1.26 0.78 0.09 -2.00 0.00 0.00 179.45 179.58 3rpb n ASN 664 N -4.06 7.13 -0.04 7.07 3.02 -0.33 -4.82 115.26 123.22 3rpb n ASN 664 Ca -0.14 -3.82 -0.10 0.00 -0.03 0.00 0.00 54.58 50.50 3rpb n ASN 664 Cb 0.85 -0.97 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 3rpb n ASN 664 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3rpb h LYS 665 N 2.86 -0.32 0.00 3.52 1.57 -1.13 0.27 116.57 123.34 3rpb h LYS 665 Ca 0.53 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 3rpb h LYS 665 Cb 0.22 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3rpb h LYS 665 CO 1.36 -0.21 0.01 -3.47 -0.57 0.00 0.00 179.45 176.57 3rpb n ASP 666 N -4.47 0.20 -4.73 0.86 2.03 -0.98 -1.75 116.55 107.72 3rpb n ASP 666 Ca -0.03 0.59 -0.31 0.00 0.52 0.00 0.00 54.79 55.55 3rpb n ASP 666 Cb 0.24 -0.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.95 3rpb n ASP 666 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3rpb s LYS 667 N -3.19 2.80 0.34 -0.67 1.02 0.96 -5.00 119.74 116.00 3rpb s LYS 667 Ca -0.01 -0.67 -0.24 0.00 0.02 0.00 0.00 55.97 55.07 3rpb s LYS 667 Cb 0.02 -2.69 -0.10 0.00 -0.52 0.00 0.00 37.83 34.55 3rpb s LYS 667 CO 0.07 0.59 0.92 0.21 -0.92 0.00 0.00 175.35 176.22 3rpb s LYS 668 N -2.03 4.47 -0.06 1.68 2.20 -1.26 -4.55 119.74 120.19 3rpb s LYS 668 Ca 0.25 1.23 -0.01 0.00 -0.36 0.00 0.00 55.97 57.08 3rpb s LYS 668 Cb -0.12 -2.67 0.03 0.00 -1.51 0.00 0.00 37.83 33.56 3rpb s LYS 668 CO 0.16 0.22 0.00 0.42 -0.36 0.00 0.00 175.35 175.80 3rpb s ILE 669 N -1.74 0.31 0.10 5.43 1.01 1.00 -4.99 121.20 122.31 3rpb s ILE 669 Ca 0.52 0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.35 3rpb s ILE 669 Cb -0.16 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 3rpb s ILE 669 CO 0.21 0.23 -0.15 -1.83 0.00 0.00 0.00 174.94 173.40 3rpb s GLU 670 N 1.70 0.94 -0.06 2.79 -1.05 -1.26 0.27 118.70 122.03 3rpb s GLU 670 Ca 0.00 -1.10 -0.31 0.00 -0.15 0.00 0.00 54.97 53.41 3rpb s GLU 670 Cb -0.13 -0.92 0.11 0.00 -0.44 0.00 0.00 34.13 32.76 3rpb s GLU 670 CO -0.04 0.19 1.01 -0.98 0.95 0.00 0.00 175.26 176.39 3rpb s ARG 671 N -2.18 0.65 -0.09 -4.83 1.04 -0.67 -4.98 118.95 107.90 3rpb s ARG 671 Ca 0.04 -0.25 -0.16 0.00 -1.04 0.00 0.00 55.73 54.31 3rpb s ARG 671 Cb -0.08 0.29 -0.05 0.00 -2.04 0.00 0.00 34.95 33.08 3rpb s ARG 671 CO 0.03 -0.29 0.42 -1.58 -0.04 0.00 0.00 175.30 173.84 3rpb s TRP 672 N -2.88 3.57 -0.12 5.89 0.52 -1.26 -1.16 118.94 123.49 3rpb s TRP 672 Ca 0.07 0.87 0.00 0.00 0.02 0.00 0.00 56.10 57.06 3rpb s TRP 672 Cb -0.01 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.86 3rpb s TRP 672 CO -0.07 0.32 -0.13 -1.01 0.02 0.00 0.00 176.95 176.08 3rpb s HIS 673 N 0.10 2.81 -0.52 -1.98 3.76 -0.69 -4.95 115.29 113.82 3rpb s HIS 673 Ca 0.24 -0.57 -0.29 0.00 -0.15 0.00 0.00 55.06 54.29 3rpb s HIS 673 Cb -0.15 -1.83 0.03 0.00 1.11 0.00 0.00 32.58 31.74 3rpb s HIS 673 CO 0.10 -0.16 1.19 -0.65 -0.85 0.00 0.00 174.74 174.37 3rpb s GLN 674 N 0.23 3.60 0.25 1.40 1.11 -1.26 -1.43 119.66 123.56 3rpb s GLN 674 Ca -0.08 0.44 -0.30 0.00 0.01 0.00 0.00 55.36 55.43 3rpb s GLN 674 Cb -0.15 -3.97 -0.14 0.00 -1.01 0.00 0.00 33.01 27.74 3rpb s GLN 674 CO 0.05 -1.55 1.25 1.28 0.01 0.00 0.00 175.29 176.32 3rpb n LEU 675 N 8.25 2.56 -4.55 2.90 4.77 -0.65 -4.76 117.00 125.52 3rpb n LEU 675 Ca 0.11 1.16 -0.25 0.00 -0.03 0.00 0.00 56.01 57.00 3rpb n LEU 675 Cb 0.49 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.12 3rpb n LEU 675 CO 0.72 -0.86 -0.39 -1.10 -1.33 0.00 0.00 177.39 174.43 3rpb s GLN 676 N -0.91 1.86 -0.27 3.23 -0.21 0.27 -4.66 119.66 118.97 3rpb s GLN 676 Ca 0.65 -1.84 0.00 0.00 0.02 0.00 0.00 55.36 54.19 3rpb s GLN 676 Cb -0.69 -1.79 0.05 0.00 1.00 0.00 0.00 33.01 31.59 3rpb s GLN 676 CO 0.55 0.19 -0.06 -0.80 -2.12 0.00 0.00 175.29 173.05 3rpb s ASN 677 N -3.61 4.57 0.00 5.90 -0.87 -1.26 -1.04 114.94 118.62 3rpb s ASN 677 Ca 0.32 -1.25 0.00 0.00 -1.57 0.00 0.00 52.86 50.36 3rpb s ASN 677 Cb -0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 41.25 39.60 3rpb s ASN 677 CO 0.17 -0.20 0.00 -0.62 -2.57 0.00 0.00 177.10 173.87 3rpb n GLU 678 N 4.55 0.00 -4.82 -0.60 -0.58 -1.26 -4.94 120.64 112.99 3rpb n GLU 678 Ca -0.14 0.27 -0.30 0.00 -0.42 0.00 0.00 57.16 56.57 3rpb n GLU 678 Cb 0.43 -0.75 -0.17 0.00 -0.57 0.00 0.00 31.44 30.39 3rpb n GLU 678 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3rpb s ASN 679 N -2.30 2.67 0.00 1.62 4.22 -1.26 -5.25 114.94 114.64 3rpb s ASN 679 Ca 0.00 -0.48 0.00 0.00 -2.14 0.00 0.00 52.86 50.24 3rpb s ASN 679 Cb 0.00 -1.22 0.00 0.00 1.28 0.00 0.00 41.25 41.31 3rpb s ASN 679 CO 0.00 0.09 0.00 1.41 -2.04 0.00 0.00 177.10 176.56