#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 1.03 3.14 2.89 0.00 -0.03 -2.95 105.19 109.27 3rpb n GLY 542 Ca 0.00 -2.21 -0.18 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.24 0.82 -0.10 1.61 1.02 0.27 -1.18 119.74 120.94 3rpb s LYS 543 Ca 0.00 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.21 3rpb s LYS 543 Cb 0.00 -0.79 0.01 0.00 -0.52 0.00 0.00 37.83 36.52 3rpb s LYS 543 CO 0.00 0.19 -0.19 -1.50 -0.92 0.00 0.00 175.35 172.92 3rpb s ILE 544 N -1.04 1.74 -0.33 2.17 -1.16 -0.18 0.13 121.20 122.53 3rpb s ILE 544 Ca -0.01 -0.82 -0.29 0.00 -0.51 0.00 0.00 60.65 59.02 3rpb s ILE 544 Cb -0.09 -1.54 0.02 0.00 0.61 0.00 0.00 42.46 41.46 3rpb s ILE 544 CO 0.01 0.49 1.09 -0.22 -2.81 0.00 0.00 174.94 173.50 3rpb s LEU 545 N 0.59 3.92 -0.15 8.50 2.96 0.59 -1.32 118.68 133.77 3rpb s LEU 545 Ca -0.14 1.03 -0.01 0.00 -0.22 0.00 0.00 54.13 54.79 3rpb s LEU 545 Cb -0.17 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 3rpb s LEU 545 CO 0.05 -0.90 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.37 3rpb s VAL 546 N 3.71 3.16 -0.32 1.68 1.01 -0.37 -1.51 120.40 127.77 3rpb s VAL 546 Ca 0.46 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 3rpb s VAL 546 Cb -0.12 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.94 3rpb s VAL 546 CO 0.16 0.51 0.07 -0.94 0.00 0.00 0.00 175.10 174.90 3rpb s SER 547 N 0.53 5.14 0.50 3.32 1.04 0.46 -1.43 113.70 123.27 3rpb s SER 547 Ca -0.07 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.32 3rpb s SER 547 Cb -0.15 -1.84 0.01 0.00 0.10 0.00 0.00 66.02 64.14 3rpb s SER 547 CO 0.04 -0.27 0.74 -0.76 0.98 0.00 0.00 173.24 173.96 3rpb s LEU 548 N 1.40 3.46 0.00 2.42 1.43 0.44 0.22 118.68 128.05 3rpb s LEU 548 Ca -0.01 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 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 -0.91 0.00 0.80 0.23 0.00 0.00 176.35 176.48 3rpb n MET 549 N -2.24 0.00 -4.39 1.70 1.56 -0.16 0.16 117.12 113.75 3rpb n MET 549 Ca 0.04 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.13 3rpb n MET 549 Cb 0.58 0.00 -0.11 0.00 2.15 0.00 0.00 33.22 35.85 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 3.09 -0.84 1.12 5.04 -0.87 0.24 117.35 125.14 3rpb s TYR 550 Ca 0.00 0.02 -0.05 0.00 -2.44 0.00 0.00 57.07 54.60 3rpb s TYR 550 Cb 0.00 -1.85 0.21 0.00 0.35 0.00 0.00 41.96 40.67 3rpb s TYR 550 CO 0.00 0.28 0.73 0.45 -1.34 0.00 0.00 175.55 175.67 3rpb s SER 551 N -0.42 6.09 0.31 4.32 0.15 0.16 -2.65 113.70 121.66 3rpb s SER 551 Ca 0.07 -3.30 0.07 0.00 0.70 0.00 0.00 55.95 53.49 3rpb s SER 551 Cb -0.12 -1.98 0.76 0.00 -1.71 0.00 0.00 66.02 62.97 3rpb s SER 551 CO 0.02 -0.31 1.78 0.71 1.20 0.00 0.00 173.24 176.64 3rpb h THR 552 N 4.46 0.70 -0.65 6.45 1.35 -1.95 0.53 112.91 123.79 3rpb h THR 552 Ca 0.11 -0.25 0.13 0.00 -0.55 0.00 0.00 66.41 65.84 3rpb h THR 552 Cb 0.90 -0.11 -0.10 0.00 -1.73 0.00 0.00 68.15 67.11 3rpb h THR 552 CO 0.82 0.14 0.13 -0.61 -0.25 0.00 0.00 175.52 175.75 3rpb h GLN 553 N 0.74 0.24 0.00 4.72 -0.00 -1.93 0.10 115.11 118.98 3rpb h GLN 553 Ca 0.58 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.21 3rpb h GLN 553 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.35 3rpb h GLN 553 CO -0.37 0.16 -0.51 1.96 0.00 0.00 0.00 178.83 180.07 3rpb h GLN 554 N 0.25 0.00 -1.87 1.69 1.08 -1.32 -3.48 115.11 111.46 3rpb h GLN 554 Ca 0.35 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.47 3rpb h GLN 554 Cb 0.56 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.01 3rpb h GLN 554 CO -0.46 0.00 -0.13 0.41 -0.95 0.00 0.00 178.83 177.70 3rpb n GLY 555 N 1.19 0.63 3.59 3.46 0.00 0.16 -5.05 105.19 109.17 3rpb n GLY 555 Ca 0.02 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.05 0.80 0.27 -0.02 0.00 -1.07 -4.06 107.32 100.19 3rpb s GLY 556 Ca 0.11 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.83 3rpb s GLY 556 CO 0.14 -0.70 0.39 -2.27 0.00 0.00 0.00 173.10 170.66 3rpb s LEU 557 N -3.09 4.22 -0.10 0.66 2.96 -0.17 -0.67 118.68 122.49 3rpb s LEU 557 Ca 0.24 0.00 -0.00 0.00 -0.22 0.00 0.00 54.13 54.15 3rpb s LEU 557 Cb -0.01 -2.84 0.02 0.00 0.50 0.00 0.00 46.19 43.87 3rpb s LEU 557 CO 0.13 -0.17 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.29 3rpb s ILE 558 N -2.04 0.96 -0.20 6.68 -1.09 0.67 0.17 121.20 126.36 3rpb s ILE 558 Ca 0.37 -0.26 -0.05 0.00 -2.23 0.00 0.00 60.65 58.48 3rpb s ILE 558 Cb -0.09 -0.99 -0.03 0.00 -1.58 0.00 0.00 42.46 39.78 3rpb s ILE 558 CO 0.30 0.35 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.67 3rpb s VAL 559 N 1.65 3.97 -0.29 2.92 1.01 -1.08 -0.98 120.40 127.60 3rpb s VAL 559 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3rpb s VAL 559 Cb -0.13 -2.79 0.06 0.00 0.00 0.00 0.00 36.38 33.52 3rpb s VAL 559 CO -0.07 0.44 -0.03 -0.83 0.00 0.00 0.00 175.10 174.60 3rpb s GLY 560 N 0.91 1.73 -0.84 4.51 0.00 0.61 0.27 107.32 114.51 3rpb s GLY 560 Ca 0.01 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.71 3rpb s GLY 560 CO 0.02 0.68 1.12 -0.42 0.00 0.00 0.00 173.10 174.49 3rpb s ILE 561 N 1.18 4.44 0.00 0.90 -1.09 0.33 0.17 121.20 127.13 3rpb s ILE 561 Ca -0.06 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 3rpb s ILE 561 Cb -0.20 -4.79 0.00 0.00 -1.58 0.00 0.00 42.46 35.89 3rpb s ILE 561 CO -0.03 -1.56 0.32 -0.38 -1.23 0.00 0.00 174.94 172.07 3rpb n ILE 562 N 5.87 0.00 -3.89 2.92 -0.00 -0.57 0.17 119.36 123.86 3rpb n ILE 562 Ca 0.14 0.67 -0.09 0.00 -0.00 0.00 0.00 62.75 63.47 3rpb n ILE 562 Cb 0.48 -1.35 -0.01 0.00 -0.00 0.00 0.00 39.64 38.76 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 -1.07 1.96 0.16 0.38 1.70 -1.22 0.25 118.95 121.11 3rpb s ARG 563 Ca 0.00 -1.33 0.04 0.00 -0.47 0.00 0.00 55.73 53.97 3rpb s ARG 563 Cb 0.00 0.57 -0.05 0.00 -0.57 0.00 0.00 34.95 34.91 3rpb s ARG 563 CO 0.00 -0.89 -0.08 0.00 -1.08 0.00 0.00 175.30 173.25 3rpb s VAL 565 N -3.35 0.09 -1.31 0.00 -7.23 0.36 -3.40 120.40 105.56 3rpb s VAL 565 Ca 0.19 -0.71 -0.04 0.00 -1.81 0.00 0.00 61.98 59.62 3rpb s VAL 565 Cb 0.03 -0.77 0.01 0.00 0.56 0.00 0.00 36.38 36.21 3rpb s VAL 565 CO 0.02 -0.39 0.94 1.41 -0.31 0.00 0.00 175.10 176.77 3rpb n HIS 566 N 0.92 -2.25 -2.70 2.82 8.25 -1.20 0.94 115.22 121.99 3rpb n HIS 566 Ca -0.20 0.92 -0.31 0.00 -0.26 0.00 0.00 57.72 57.87 3rpb n HIS 566 Cb 0.58 -4.72 -0.03 0.00 1.12 0.00 0.00 29.99 26.94 3rpb n HIS 566 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3rpb s LEU 567 N -6.76 3.76 0.82 2.41 1.43 -0.27 -0.85 118.68 119.21 3rpb s LEU 567 Ca 0.20 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 3rpb s LEU 567 Cb -0.09 -4.18 0.08 0.00 0.03 0.00 0.00 46.19 42.03 3rpb s LEU 567 CO 0.77 -0.46 1.09 0.00 0.23 0.00 0.00 176.35 177.98 3rpb s ALA 568 N -2.46 2.08 -0.23 4.21 0.00 -1.15 -4.76 121.76 119.45 3rpb s ALA 568 Ca 0.54 -0.13 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 3rpb s ALA 568 Cb -0.10 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 3rpb s ALA 568 CO 0.31 -1.87 -0.00 0.00 0.00 0.00 0.00 175.76 174.20 3rpb s ALA 569 N -3.08 2.94 -0.24 0.00 0.00 -1.26 -4.04 121.76 116.08 3rpb s ALA 569 Ca 0.61 -1.13 0.22 0.00 0.00 0.00 0.00 51.96 51.67 3rpb s ALA 569 Cb -0.15 -1.82 -0.08 0.00 0.00 0.00 0.00 23.12 21.07 3rpb s ALA 569 CO 0.55 -0.40 0.89 -1.33 0.00 0.00 0.00 175.76 175.47 3rpb n MET 570 N 4.75 0.57 -3.82 0.00 2.81 0.25 -4.78 117.12 116.90 3rpb n MET 570 Ca -0.17 0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.51 3rpb n MET 570 Cb 0.51 -1.71 -0.02 0.00 -0.71 0.00 0.00 33.22 31.30 3rpb n MET 570 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3rpb s ASP 571 N -4.89 6.30 0.00 7.83 1.01 -0.75 -4.98 116.67 121.19 3rpb s ASP 571 Ca -0.02 0.15 0.15 0.00 0.71 0.00 0.00 52.55 53.54 3rpb s ASP 571 Cb 0.12 -1.88 0.76 0.00 1.01 0.00 0.00 42.92 42.92 3rpb s ASP 571 CO 0.82 -0.13 1.41 0.00 0.21 0.00 0.00 175.17 177.48 3rpb n ALA 572 N -1.51 1.85 0.87 5.23 0.00 -1.26 -1.94 120.51 123.75 3rpb n ALA 572 Ca -0.08 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.42 3rpb n ALA 572 Cb 0.57 -1.24 0.46 0.00 0.00 0.00 0.00 19.45 19.23 3rpb n ALA 572 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3rpb n ASN 573 N -1.28 0.34 0.00 0.00 3.02 -1.26 -4.91 115.26 111.18 3rpb n ASN 573 Ca 0.07 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 3rpb n ASN 573 Cb 0.12 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3rpb n GLY 574 N 1.44 0.83 0.00 7.41 0.00 -0.82 -5.07 105.19 108.98 3rpb n GLY 574 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.30 0.00 -3.93 1.61 4.02 -1.26 -4.55 117.16 110.76 3rpb n TYR 575 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 3rpb n TYR 575 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 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 -0.99 0.33 -0.47 7.72 0.01 -1.25 0.87 113.70 119.92 3rpb s SER 576 Ca 0.00 -1.23 0.08 0.00 1.31 0.00 0.00 55.95 56.11 3rpb s SER 576 Cb 0.00 0.76 0.37 0.00 0.21 0.00 0.00 66.02 67.36 3rpb s SER 576 CO 0.00 -1.49 0.92 0.47 0.41 0.00 0.00 173.24 173.55 3rpb n ASP 577 N -1.30 3.20 -4.77 2.44 8.00 -1.25 0.69 116.55 123.56 3rpb n ASP 577 Ca -0.04 -3.40 -0.40 0.00 0.71 0.00 0.00 54.79 51.66 3rpb n ASP 577 Cb 0.61 -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 -3.17 4.27 0.12 -0.24 0.04 -1.17 0.25 135.00 135.09 3rpb s PRO 578 Ca 0.44 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.53 3rpb s PRO 578 Cb 0.34 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 3rpb s PRO 578 CO -0.11 -0.20 -0.02 -0.59 0.04 0.00 0.00 177.00 176.12 3rpb s PHE 579 N -1.23 0.93 -0.11 0.56 -0.71 0.21 -1.67 117.98 115.96 3rpb s PHE 579 Ca 0.51 -1.02 0.01 0.00 -1.04 0.00 0.00 56.93 55.40 3rpb s PHE 579 Cb -0.36 -0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 40.89 3rpb s PHE 579 CO 0.47 -0.26 -0.15 0.08 -1.34 0.00 0.00 175.22 174.02 3rpb s VAL 580 N -3.74 2.90 -0.07 -2.49 1.01 -1.26 -0.30 120.40 116.45 3rpb s VAL 580 Ca 0.17 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3rpb s VAL 580 Cb 0.06 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3rpb s VAL 580 CO -0.02 0.54 -0.14 -0.54 0.00 0.00 0.00 175.10 174.94 3rpb s LYS 581 N 0.11 2.77 -0.02 2.72 1.02 0.27 0.18 119.74 126.78 3rpb s LYS 581 Ca -0.07 -0.70 0.07 0.00 0.02 0.00 0.00 55.97 55.28 3rpb s LYS 581 Cb -0.15 -2.44 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 3rpb s LYS 581 CO 0.05 0.49 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.24 3rpb s LEU 582 N -0.38 2.03 -0.19 3.17 1.02 -0.95 -0.68 118.68 122.70 3rpb s LEU 582 Ca 0.04 -0.41 -0.05 0.00 0.02 0.00 0.00 54.13 53.73 3rpb s LEU 582 Cb -0.12 -1.16 0.09 0.00 0.02 0.00 0.00 46.19 45.02 3rpb s LEU 582 CO 0.02 0.26 0.35 0.86 0.02 0.00 0.00 176.35 177.86 3rpb s TRP 583 N -0.43 -0.65 -0.21 0.29 -0.00 -1.09 0.12 118.94 116.98 3rpb s TRP 583 Ca 0.06 1.12 -0.12 0.00 -0.00 0.00 0.00 56.10 57.16 3rpb s TRP 583 Cb -0.09 0.09 -0.05 0.00 -0.00 0.00 0.00 33.47 33.42 3rpb s TRP 583 CO -0.00 -0.50 0.24 -1.17 -0.00 0.00 0.00 176.95 175.52 3rpb s LEU 584 N 2.52 4.16 0.48 5.86 2.96 -1.24 -1.09 118.68 132.32 3rpb s LEU 584 Ca 0.03 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 3rpb s LEU 584 Cb -0.13 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 3rpb s LEU 584 CO -0.12 0.05 0.15 -0.54 -1.32 0.00 0.00 176.35 174.58 3rpb s LYS 585 N 0.91 2.19 0.65 1.98 1.02 -1.00 -3.19 119.74 122.29 3rpb s LYS 585 Ca 0.12 -2.10 0.33 0.00 0.02 0.00 0.00 55.97 54.34 3rpb s LYS 585 Cb -0.13 -1.82 1.79 0.00 -0.52 0.00 0.00 37.83 37.15 3rpb s LYS 585 CO 0.04 -0.31 2.04 -1.35 -0.92 0.00 0.00 175.35 174.85 3rpb h PRO 586 N 1.29 0.00 0.00 -1.68 0.11 -1.90 -2.67 132.00 127.15 3rpb h PRO 586 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3rpb h PRO 586 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3rpb h PRO 586 CO 0.70 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 3rpb n ASP 587 N -3.13 0.00 -0.00 -2.05 5.68 -1.19 -4.88 116.55 110.98 3rpb n ASP 587 Ca -0.01 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.31 3rpb n ASP 587 Cb 0.33 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 3rpb n ASP 587 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 3rpb n MET 588 N -0.61 1.10 -3.95 0.11 2.81 -1.26 -5.08 117.12 110.24 3rpb n MET 588 Ca 0.00 -0.04 -0.12 0.00 -1.81 0.00 0.00 57.70 55.73 3rpb n MET 588 Cb 0.00 -1.05 -0.00 0.00 -0.71 0.00 0.00 33.22 31.46 3rpb n MET 588 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3rpb s GLY 589 N -2.36 1.00 -0.09 3.03 0.00 -1.26 -5.02 107.32 102.61 3rpb s GLY 589 Ca -0.01 -1.18 0.07 0.00 0.00 0.00 0.00 44.72 43.60 3rpb s GLY 589 CO 0.20 -0.67 1.10 0.28 0.00 0.00 0.00 173.10 174.00 3rpb n LYS 590 N -0.57 2.61 -0.06 2.90 4.76 -1.26 -3.57 118.16 122.97 3rpb n LYS 590 Ca -0.04 -1.39 0.03 0.00 -2.87 0.00 0.00 58.31 54.04 3rpb n LYS 590 Cb 0.61 -1.75 0.06 0.00 -1.84 0.00 0.00 35.03 32.11 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3rpb n LYS 591 N 0.32 2.65 0.08 1.97 5.02 -1.26 -4.63 118.16 122.32 3rpb n LYS 591 Ca 0.12 -1.85 0.10 0.00 -2.02 0.00 0.00 58.31 54.66 3rpb n LYS 591 Cb 0.62 -1.18 0.42 0.00 -0.02 0.00 0.00 35.03 34.87 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3rpb n ALA 592 N -0.52 1.65 -2.07 7.82 0.00 -1.23 -4.75 120.51 121.40 3rpb n ALA 592 Ca 0.06 0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 3rpb n ALA 592 Cb 0.38 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 3rpb n ALA 592 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3rpb s LYS 593 N -3.20 3.91 0.34 0.00 1.02 -1.24 -3.65 119.74 116.92 3rpb s LYS 593 Ca 0.05 0.68 0.02 0.00 0.02 0.00 0.00 55.97 56.74 3rpb s LYS 593 Cb 0.09 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 3rpb s LYS 593 CO 0.34 -0.03 0.40 -1.01 -0.92 0.00 0.00 175.35 174.12 3rpb s HIS 594 N -2.30 1.37 -0.30 3.18 3.76 0.33 -4.88 115.29 116.45 3rpb s HIS 594 Ca 0.54 -1.46 -0.10 0.00 -0.15 0.00 0.00 55.06 53.89 3rpb s HIS 594 Cb -0.10 -0.35 0.14 0.00 1.11 0.00 0.00 32.58 33.38 3rpb s HIS 594 CO 0.26 -1.04 0.67 -1.59 -0.85 0.00 0.00 174.74 172.20 3rpb s LYS 595 N -3.18 0.56 0.78 1.40 0.00 -1.25 -2.24 119.74 115.81 3rpb s LYS 595 Ca 0.35 1.38 -0.12 0.00 0.00 0.00 0.00 55.97 57.58 3rpb s LYS 595 Cb 0.01 0.83 0.06 0.00 0.00 0.00 0.00 37.83 38.72 3rpb s LYS 595 CO 0.24 -0.22 1.11 0.95 0.00 0.00 0.00 175.35 177.43 3rpb s THR 596 N 2.87 3.05 0.48 3.79 -4.23 0.47 -4.92 115.64 117.13 3rpb s THR 596 Ca -0.04 0.34 -0.20 0.00 -1.18 0.00 0.00 61.69 60.61 3rpb s THR 596 Cb -0.12 -3.19 -0.13 0.00 1.34 0.00 0.00 72.50 70.41 3rpb s THR 596 CO -0.19 -0.44 0.23 0.00 -0.54 0.00 0.00 174.62 173.68 3rpb n GLN 597 N -3.31 0.25 -2.68 3.99 6.02 -1.26 -4.29 117.38 116.10 3rpb n GLN 597 Ca 0.07 0.10 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 3rpb n GLN 597 Cb 0.57 -1.28 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3rpb s ILE 598 N -1.74 4.74 -1.20 5.09 -1.09 -1.26 -4.58 121.20 121.16 3rpb s ILE 598 Ca 0.62 2.02 -0.08 0.00 -2.23 0.00 0.00 60.65 60.98 3rpb s ILE 598 Cb -0.54 -4.31 0.22 0.00 -1.58 0.00 0.00 42.46 36.25 3rpb s ILE 598 CO 0.61 -0.08 1.69 0.29 -1.23 0.00 0.00 174.94 176.21 3rpb n LYS 599 N 5.65 3.88 -1.80 2.79 4.76 -0.67 -5.00 118.16 127.77 3rpb n LYS 599 Ca 0.10 -3.92 -0.36 0.00 -2.87 0.00 0.00 58.31 51.26 3rpb n LYS 599 Cb 0.47 -2.79 0.06 0.00 -1.84 0.00 0.00 35.03 30.94 3rpb n LYS 599 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3rpb s LYS 600 N -0.62 2.64 -0.96 1.97 -0.14 -1.26 -3.04 119.74 118.33 3rpb s LYS 600 Ca 0.37 1.96 -0.12 0.00 -1.36 0.00 0.00 55.97 56.82 3rpb s LYS 600 Cb 0.06 -1.87 0.01 0.00 -1.68 0.00 0.00 37.83 34.36 3rpb s LYS 600 CO 0.03 -1.50 0.64 1.63 -0.76 0.00 0.00 175.35 175.39 3rpb n LYS 601 N -1.89 -1.11 -3.65 1.68 4.76 -0.34 -4.86 118.16 112.76 3rpb n LYS 601 Ca 0.15 0.56 -0.02 0.00 -2.87 0.00 0.00 58.31 56.12 3rpb n LYS 601 Cb 0.49 -2.57 -0.06 0.00 -1.84 0.00 0.00 35.03 31.05 3rpb n LYS 601 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3rpb s THR 602 N -3.18 0.00 -0.25 -0.18 -1.32 0.22 -4.86 115.64 106.06 3rpb s THR 602 Ca 0.18 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.73 3rpb s THR 602 Cb -0.09 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.81 3rpb s THR 602 CO 0.91 0.00 0.26 0.18 -2.21 0.00 0.00 174.62 173.76 3rpb n LEU 603 N 1.22 0.25 -2.80 9.08 4.77 -1.26 -3.88 117.00 124.37 3rpb n LEU 603 Ca -0.07 -0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 55.37 3rpb n LEU 603 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3rpb n LEU 603 CO 0.03 0.06 -0.07 0.59 -1.33 0.00 0.00 177.39 176.67 3rpb n ASN 604 N -1.30 2.16 -2.63 -1.43 3.02 -1.26 -1.12 115.26 112.70 3rpb n ASN 604 Ca 0.01 -3.07 -0.09 0.00 -0.03 0.00 0.00 54.58 51.40 3rpb n ASN 604 Cb 0.13 -0.55 0.06 0.00 -0.61 0.00 0.00 39.78 38.81 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 -0.06 -0.34 -3.75 3.52 -0.04 -1.22 -4.84 135.00 128.27 3rpb n PRO 605 Ca 0.21 -0.68 -0.25 0.00 -0.04 0.00 0.00 63.50 62.74 3rpb n PRO 605 Cb 0.71 -0.42 -0.17 0.00 -0.04 0.00 0.00 33.50 33.58 3rpb n PRO 605 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3rpb s GLU 606 N -3.86 0.61 -0.10 0.54 -6.30 -1.26 -2.21 118.70 106.12 3rpb s GLU 606 Ca 0.24 -0.09 -0.00 0.00 -2.50 0.00 0.00 54.97 52.61 3rpb s GLU 606 Cb -0.01 -1.43 -0.00 0.00 0.00 0.00 0.00 34.13 32.69 3rpb s GLU 606 CO 0.17 -0.44 0.01 0.74 0.02 0.00 0.00 175.26 175.75 3rpb h PHE 607 N 8.30 -0.00 -5.75 5.30 0.04 0.33 -3.47 116.94 121.68 3rpb h PHE 607 Ca -0.18 -0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.22 3rpb h PHE 607 Cb 1.12 0.00 0.15 0.00 2.20 0.00 0.00 35.95 39.43 3rpb h PHE 607 CO 0.39 -0.00 -0.73 -1.71 -0.60 0.00 0.00 178.31 175.66 3rpb n ASN 608 N -4.76 -4.00 -4.56 2.17 2.85 0.70 -4.92 115.26 102.74 3rpb n ASN 608 Ca -0.00 -0.59 -0.34 0.00 -0.11 0.00 0.00 54.58 53.54 3rpb n ASN 608 Cb 0.00 -5.07 -0.11 0.00 1.24 0.00 0.00 39.78 35.84 3rpb n ASN 608 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3rpb s GLU 609 N -5.80 3.70 -0.31 1.20 0.41 0.16 -4.92 118.70 113.13 3rpb s GLU 609 Ca 0.27 -0.45 -0.09 0.00 -0.41 0.00 0.00 54.97 54.29 3rpb s GLU 609 Cb -0.12 -3.00 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 3rpb s GLU 609 CO 0.73 0.30 0.13 -1.21 -0.49 0.00 0.00 175.26 174.73 3rpb s GLU 610 N 0.22 3.19 0.54 1.61 2.02 -1.26 0.12 118.70 125.15 3rpb s GLU 610 Ca -0.00 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.24 3rpb s GLU 610 Cb -0.13 -3.52 0.06 0.00 0.10 0.00 0.00 34.13 30.64 3rpb s GLU 610 CO 0.02 -0.46 0.75 -0.06 0.02 0.00 0.00 175.26 175.53 3rpb s PHE 611 N 1.57 2.18 -0.10 1.61 0.40 0.76 -4.94 117.98 119.46 3rpb s PHE 611 Ca 0.04 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.92 3rpb s PHE 611 Cb -0.17 -2.50 0.05 0.00 0.51 0.00 0.00 43.02 40.91 3rpb s PHE 611 CO 0.05 -0.95 0.17 0.12 0.70 0.00 0.00 175.22 175.31 3rpb s PHE 612 N -2.66 -0.19 0.07 0.36 5.36 -1.26 -2.62 117.98 117.05 3rpb s PHE 612 Ca 0.59 0.56 0.01 0.00 -0.96 0.00 0.00 56.93 57.14 3rpb s PHE 612 Cb -0.08 -0.27 -0.04 0.00 -0.34 0.00 0.00 43.02 42.29 3rpb s PHE 612 CO 0.38 -0.32 0.21 0.71 -1.46 0.00 0.00 175.22 174.74 3rpb s TYR 613 N 2.30 3.48 -0.89 10.12 1.51 0.46 -4.93 117.35 129.39 3rpb s TYR 613 Ca 0.03 0.21 0.00 0.00 -1.01 0.00 0.00 57.07 56.31 3rpb s TYR 613 Cb -0.12 -1.73 0.28 0.00 -0.11 0.00 0.00 41.96 40.27 3rpb s TYR 613 CO -0.07 0.57 1.15 -3.47 -1.11 0.00 0.00 175.55 172.63 3rpb n ASP 614 N 0.19 5.24 -4.09 2.29 2.03 -1.26 -1.00 116.55 119.94 3rpb n ASP 614 Ca -0.06 -3.42 -0.19 0.00 0.52 0.00 0.00 54.79 51.64 3rpb n ASP 614 Cb 0.51 -1.01 -0.14 0.00 -0.72 0.00 0.00 41.12 39.76 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 -2.61 0.92 0.11 5.18 1.10 -1.26 -4.98 121.20 119.66 3rpb s ILE 615 Ca 0.35 -0.73 -0.31 0.00 -0.51 0.00 0.00 60.65 59.45 3rpb s ILE 615 Cb 0.09 -0.82 -0.07 0.00 0.15 0.00 0.00 42.46 41.81 3rpb s ILE 615 CO 0.05 0.09 1.26 -0.54 -2.11 0.00 0.00 174.94 173.68 3rpb s LYS 616 N -0.73 4.41 0.31 3.50 -0.14 -1.26 -3.84 119.74 122.00 3rpb s LYS 616 Ca 0.02 1.89 0.08 0.00 -1.36 0.00 0.00 55.97 56.60 3rpb s LYS 616 Cb -0.06 -3.29 0.89 0.00 -1.68 0.00 0.00 37.83 33.70 3rpb s LYS 616 CO 0.00 -0.27 1.64 1.25 -0.76 0.00 0.00 175.35 177.22 3rpb h HIS 617 N 6.37 0.55 -0.00 3.18 2.76 -1.93 1.78 115.15 127.86 3rpb h HIS 617 Ca -0.43 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 3rpb h HIS 617 Cb 1.21 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 30.08 3rpb h HIS 617 CO 0.65 -0.24 0.00 0.77 -1.30 0.00 0.00 177.93 177.82 3rpb h SER 618 N 0.21 0.00 0.00 3.26 0.02 -2.01 -1.94 113.55 113.10 3rpb h SER 618 Ca 0.64 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 61.26 3rpb h SER 618 Cb 1.40 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.88 3rpb h SER 618 CO -0.67 0.00 -2.33 0.47 -1.14 0.00 0.00 176.83 173.15 3rpb n ASP 619 N -3.57 0.07 -0.08 3.07 9.92 0.55 -4.61 116.55 121.92 3rpb n ASP 619 Ca -0.03 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.21 3rpb n ASP 619 Cb 0.08 1.08 -0.02 0.00 -0.64 0.00 0.00 41.12 41.63 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 -2.69 -0.19 -0.33 0.64 7.99 0.17 -0.73 117.00 121.86 3rpb n LEU 620 Ca -0.30 0.88 -0.08 0.00 -0.01 0.00 0.00 56.01 56.51 3rpb n LEU 620 Cb 1.10 -0.32 -0.06 0.00 -0.11 0.00 0.00 43.42 44.02 3rpb n LEU 620 CO 0.43 -0.54 0.39 0.00 -1.51 0.00 0.00 177.39 176.16 3rpb n ALA 621 N -2.91 -0.45 0.23 -1.18 0.00 -1.25 0.28 120.51 115.22 3rpb n ALA 621 Ca 0.00 0.69 0.14 0.00 0.00 0.00 0.00 53.44 54.27 3rpb n ALA 621 Cb 0.05 -0.14 0.72 0.00 0.00 0.00 0.00 19.45 20.07 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 -7.22 0.00 1.57 -1.21 -2.16 116.57 107.55 3rpb h LYS 622 Ca 0.15 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.50 3rpb h LYS 622 Cb 0.34 0.00 0.20 0.00 0.08 0.00 0.00 32.23 32.85 3rpb h LYS 622 CO -0.75 0.00 0.05 0.15 -0.57 0.00 0.00 179.45 178.33 3rpb s LYS 623 N -3.66 -1.12 -0.29 3.15 -0.14 0.80 -4.77 119.74 113.71 3rpb s LYS 623 Ca -0.02 0.44 0.01 0.00 -1.36 0.00 0.00 55.97 55.04 3rpb s LYS 623 Cb 0.08 -1.56 0.15 0.00 -1.68 0.00 0.00 37.83 34.82 3rpb s LYS 623 CO 0.27 -3.76 0.37 -1.54 -0.76 0.00 0.00 175.35 169.94 3rpb s SER 624 N -3.11 0.78 -0.19 2.83 1.04 -1.01 -3.35 113.70 110.70 3rpb s SER 624 Ca 0.68 -0.46 -0.29 0.00 0.48 0.00 0.00 55.95 56.36 3rpb s SER 624 Cb -0.19 0.92 0.00 0.00 0.10 0.00 0.00 66.02 66.86 3rpb s SER 624 CO 0.60 -0.36 1.04 -0.22 0.98 0.00 0.00 173.24 175.28 3rpb s LEU 625 N 2.49 4.15 -0.62 2.42 2.96 0.66 -2.38 118.68 128.36 3rpb s LEU 625 Ca 0.10 1.44 -0.11 0.00 -0.22 0.00 0.00 54.13 55.34 3rpb s LEU 625 Cb -0.13 -3.55 0.16 0.00 0.50 0.00 0.00 46.19 43.17 3rpb s LEU 625 CO -0.30 -0.61 0.53 -0.62 -1.32 0.00 0.00 176.35 174.03 3rpb s ASP 626 N 1.20 6.06 -0.50 3.68 2.15 -0.25 0.24 116.67 129.25 3rpb s ASP 626 Ca 0.46 -2.29 -0.21 0.00 0.43 0.00 0.00 52.55 50.93 3rpb s ASP 626 Cb -0.16 -2.09 0.04 0.00 -0.30 0.00 0.00 42.92 40.41 3rpb s ASP 626 CO 0.10 -0.64 0.74 -0.63 -0.17 0.00 0.00 175.17 174.58 3rpb s ILE 627 N 0.79 4.69 -0.03 4.11 1.09 -0.08 -2.66 121.20 129.12 3rpb s ILE 627 Ca 0.11 -0.05 0.07 0.00 -1.10 0.00 0.00 60.65 59.68 3rpb s ILE 627 Cb -0.21 -4.36 -0.02 0.00 -1.06 0.00 0.00 42.46 36.81 3rpb s ILE 627 CO -0.03 -0.86 -0.23 -0.44 -0.10 0.00 0.00 174.94 173.28 3rpb s SER 628 N 2.56 3.29 -0.22 3.58 0.01 0.14 0.17 113.70 123.23 3rpb s SER 628 Ca 0.23 -0.41 -0.05 0.00 1.31 0.00 0.00 55.95 57.03 3rpb s SER 628 Cb -0.15 -0.49 -0.02 0.00 0.21 0.00 0.00 66.02 65.57 3rpb s SER 628 CO 0.17 0.32 -0.00 -0.69 0.41 0.00 0.00 173.24 173.44 3rpb s VAL 629 N -0.61 3.78 0.15 3.43 1.01 0.53 0.95 120.40 129.63 3rpb s VAL 629 Ca 0.10 -0.36 0.11 0.00 0.00 0.00 0.00 61.98 61.82 3rpb s VAL 629 Cb -0.10 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3rpb s VAL 629 CO -0.00 0.41 -0.25 0.26 0.00 0.00 0.00 175.10 175.51 3rpb s TRP 630 N 1.30 2.26 0.07 5.22 0.52 0.59 -0.91 118.94 128.00 3rpb s TRP 630 Ca 0.04 -0.38 -0.23 0.00 0.02 0.00 0.00 56.10 55.55 3rpb s TRP 630 Cb -0.15 -1.18 -0.06 0.00 -1.15 0.00 0.00 33.47 30.93 3rpb s TRP 630 CO 0.00 0.39 0.71 0.34 0.02 0.00 0.00 176.95 178.41 3rpb s ASP 631 N -2.29 7.19 0.26 2.95 2.15 0.70 0.65 116.67 128.29 3rpb s ASP 631 Ca 0.16 1.42 0.05 0.00 0.43 0.00 0.00 52.55 54.61 3rpb s ASP 631 Cb -0.09 -2.44 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 3rpb s ASP 631 CO 0.07 0.13 0.39 -0.47 -0.17 0.00 0.00 175.17 175.12 3rpb s TYR 632 N -0.55 3.43 -0.22 -5.34 6.14 0.68 0.92 117.35 122.41 3rpb s TYR 632 Ca 0.35 0.01 -0.11 0.00 0.64 0.00 0.00 57.07 57.96 3rpb s TYR 632 Cb -0.21 -1.64 0.08 0.00 0.42 0.00 0.00 41.96 40.61 3rpb s TYR 632 CO 0.22 0.37 0.53 -0.51 0.64 0.00 0.00 175.55 176.80 3rpb s ASP 633 N -4.00 -0.69 0.13 4.32 1.01 -1.26 -4.22 116.67 111.96 3rpb s ASP 633 Ca 0.35 1.19 -0.30 0.00 0.71 0.00 0.00 52.55 54.50 3rpb s ASP 633 Cb -0.09 1.20 -0.06 0.00 1.01 0.00 0.00 42.92 44.98 3rpb s ASP 633 CO 0.30 -0.22 1.04 0.27 0.21 0.00 0.00 175.17 176.78 3rpb s ILE 634 N 1.78 4.20 0.00 0.77 -0.00 -1.26 -3.07 121.20 123.62 3rpb s ILE 634 Ca -0.08 1.82 0.00 0.00 -0.00 0.00 0.00 60.65 62.39 3rpb s ILE 634 Cb -0.08 -4.16 0.00 0.00 -0.00 0.00 0.00 42.46 38.22 3rpb s ILE 634 CO -0.16 0.28 0.00 0.61 -0.00 0.00 0.00 174.94 175.67 3rpb n GLY 635 N 2.27 0.50 0.00 6.27 0.00 -1.26 -4.92 105.19 108.04 3rpb n GLY 635 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.81 0.57 -3.25 1.61 5.02 -1.17 -5.17 118.16 113.96 3rpb n LYS 636 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 3rpb n LYS 636 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3rpb s SER 637 N 0.21 5.78 0.99 4.39 0.01 -1.26 -4.74 113.70 119.08 3rpb s SER 637 Ca 0.00 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 56.89 3rpb s SER 637 Cb 0.00 -0.93 0.06 0.00 0.21 0.00 0.00 66.02 65.37 3rpb s SER 637 CO 0.00 -0.60 0.38 -0.46 0.41 0.00 0.00 173.24 172.97 3rpb n ASN 638 N -1.74 0.03 -3.66 2.44 6.94 -1.26 -4.07 115.26 113.94 3rpb n ASN 638 Ca 0.04 -1.14 -0.14 0.00 -0.02 0.00 0.00 54.58 53.32 3rpb n ASN 638 Cb 0.59 -0.29 -0.07 0.00 -2.36 0.00 0.00 39.78 37.64 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 -2.40 -0.33 -0.26 0.53 1.01 0.26 -4.92 116.67 110.55 3rpb s ASP 639 Ca 0.22 0.17 -0.20 0.00 0.71 0.00 0.00 52.55 53.44 3rpb s ASP 639 Cb -0.01 0.41 -0.02 0.00 1.01 0.00 0.00 42.92 44.32 3rpb s ASP 639 CO 0.15 -0.59 0.63 -0.47 0.21 0.00 0.00 175.17 175.10 3rpb s TYR 640 N -1.88 3.27 -0.26 4.23 6.14 -1.26 0.25 117.35 127.85 3rpb s TYR 640 Ca -0.09 0.79 -0.05 0.00 0.64 0.00 0.00 57.07 58.36 3rpb s TYR 640 Cb -0.02 -2.86 -0.14 0.00 0.42 0.00 0.00 41.96 39.36 3rpb s TYR 640 CO 0.02 -0.34 -0.28 -0.89 0.64 0.00 0.00 175.55 174.70 3rpb n ILE 641 N 5.22 1.45 0.00 3.14 5.41 -0.49 -4.82 119.36 129.26 3rpb n ILE 641 Ca -0.01 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.27 3rpb n ILE 641 Cb 0.49 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.82 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 1.86 3.19 0.00 7.39 0.00 -0.09 -4.82 105.19 112.72 3rpb n GLY 642 Ca -0.48 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.04 2.48 3.64 -0.02 0.00 0.23 0.20 105.19 110.67 3rpb n GLY 643 Ca 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.60 2.87 -0.36 0.00 -0.21 -1.26 -0.90 119.66 116.20 3rpb s GLN 645 Ca 0.07 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 54.84 3rpb s GLN 645 Cb -0.03 -2.56 0.11 0.00 1.00 0.00 0.00 33.01 31.54 3rpb s GLN 645 CO -0.03 0.52 0.13 -0.51 -2.12 0.00 0.00 175.29 173.28 3rpb s LEU 646 N -0.45 3.04 -0.07 2.90 1.43 0.67 -4.90 118.68 121.30 3rpb s LEU 646 Ca 0.06 -2.08 -0.06 0.00 -1.03 0.00 0.00 54.13 51.03 3rpb s LEU 646 Cb -0.12 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 45.00 3rpb s LEU 646 CO 0.02 -0.36 0.18 -0.83 0.23 0.00 0.00 176.35 175.58 3rpb s GLY 647 N 1.04 -0.12 0.56 -3.19 0.00 -1.26 0.24 107.32 104.59 3rpb s GLY 647 Ca 0.12 0.53 0.25 0.00 0.00 0.00 0.00 44.72 45.62 3rpb s GLY 647 CO -0.14 0.50 1.73 1.19 0.00 0.00 0.00 173.10 176.39 3rpb h ILE 648 N 5.01 0.00 0.00 0.90 2.10 -1.39 1.09 117.51 125.22 3rpb h ILE 648 Ca -0.27 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.67 3rpb h ILE 648 Cb 1.19 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 3rpb h ILE 648 CO 0.40 0.00 0.00 -0.24 -1.08 0.00 0.00 178.15 177.23 3rpb n SER 649 N -2.64 0.00 -4.90 2.19 2.88 -1.26 -4.76 113.62 105.13 3rpb n SER 649 Ca -0.02 0.14 -0.29 0.00 -1.33 0.00 0.00 58.87 57.38 3rpb n SER 649 Cb 0.36 -0.33 0.06 0.00 -0.75 0.00 0.00 64.21 63.55 3rpb n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3rpb s ALA 650 N -2.67 2.88 -0.14 -1.46 0.00 0.38 -5.10 121.76 115.65 3rpb s ALA 650 Ca 0.15 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 3rpb s ALA 650 Cb 0.12 -2.91 0.05 0.00 0.00 0.00 0.00 23.12 20.37 3rpb s ALA 650 CO 0.28 -1.32 0.35 -1.59 0.00 0.00 0.00 175.76 173.48 3rpb s LYS 651 N -5.39 0.36 0.00 0.00 -2.85 -1.26 -4.52 119.74 106.07 3rpb s LYS 651 Ca 0.59 0.62 0.00 0.00 -1.00 0.00 0.00 55.97 56.18 3rpb s LYS 651 Cb -0.11 0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.70 3rpb s LYS 651 CO 0.49 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.23 3rpb n GLY 652 N 3.73 2.99 2.03 0.59 0.00 -1.26 -4.82 105.19 108.46 3rpb n GLY 652 Ca -0.20 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3rpb n GLY 652 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3rpb n GLU 653 N 0.00 0.00 -0.26 1.61 1.02 -1.26 -4.89 120.64 116.86 3rpb n GLU 653 Ca 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 57.16 57.38 3rpb n GLU 653 Cb 0.00 0.00 0.59 0.00 -0.02 0.00 0.00 31.44 32.01 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3rpb h ARG 654 N 0.00 0.25 -0.40 3.49 3.08 -1.90 0.41 114.38 119.30 3rpb h ARG 654 Ca 0.00 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3rpb h ARG 654 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3rpb h ARG 654 CO 0.00 0.17 -0.05 1.25 -1.07 0.00 0.00 179.97 180.26 3rpb h LEU 655 N 0.26 0.65 0.05 3.04 5.85 -1.81 0.14 115.31 123.50 3rpb h LEU 655 Ca 0.50 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 3rpb h LEU 655 Cb 1.52 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3rpb h LEU 655 CO -0.15 0.75 -0.03 0.07 -0.34 0.00 0.00 178.44 178.75 3rpb h LYS 656 N 0.63 -0.07 0.12 1.25 2.10 -0.53 -1.45 116.57 118.61 3rpb h LYS 656 Ca 0.12 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 3rpb h LYS 656 Cb 0.47 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 3rpb h LYS 656 CO 0.02 0.12 -0.06 1.25 -2.00 0.00 0.00 179.45 178.79 3rpb h HIS 657 N -0.26 -0.15 0.00 0.07 2.76 -1.37 -2.88 115.15 113.31 3rpb h HIS 657 Ca -0.01 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3rpb h HIS 657 Cb 0.23 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.24 3rpb h HIS 657 CO -0.01 0.27 0.00 1.87 -1.30 0.00 0.00 177.93 178.76 3rpb n TRP 658 N -4.95 0.00 -0.24 5.26 -0.00 0.49 -2.85 117.44 115.14 3rpb n TRP 658 Ca -0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.36 3rpb n TRP 658 Cb 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.52 3rpb n TRP 658 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3rpb n TYR 659 N -0.45 -0.22 -0.37 5.87 4.19 -0.55 0.25 117.16 125.89 3rpb n TYR 659 Ca 0.00 0.74 0.29 0.00 3.31 0.00 0.00 57.90 62.24 3rpb n TYR 659 Cb 0.00 -0.58 0.55 0.00 0.49 0.00 0.00 39.34 39.81 3rpb n TYR 659 CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 3rpb h GLU 660 N 0.00 0.20 -1.00 2.98 4.11 -1.59 1.82 114.58 121.10 3rpb h GLU 660 Ca 0.11 -0.01 0.18 0.00 0.07 0.00 0.00 59.36 59.71 3rpb h GLU 660 Cb 0.26 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.36 3rpb h GLU 660 CO -0.56 0.13 0.62 0.00 0.07 0.00 0.00 179.01 179.27 3rpb h LEU 662 N 0.78 0.44 0.21 0.00 4.07 0.28 -2.16 115.31 118.93 3rpb h LEU 662 Ca 0.57 -0.05 -0.30 0.00 0.08 0.00 0.00 57.88 58.18 3rpb h LEU 662 Cb 0.87 -0.11 0.03 0.00 1.08 0.00 0.00 40.66 42.52 3rpb h LEU 662 CO -0.36 0.44 -1.33 0.07 -1.08 0.00 0.00 178.44 176.18 3rpb h LYS 663 N 0.49 0.45 -2.28 1.13 2.10 0.26 -3.35 116.57 115.36 3rpb h LYS 663 Ca 0.12 -0.77 -0.81 0.00 -2.00 0.00 0.00 60.65 57.19 3rpb h LYS 663 Cb 0.17 0.29 -0.27 0.00 -0.90 0.00 0.00 32.23 31.51 3rpb h LYS 663 CO -0.01 1.37 1.01 0.09 -2.00 0.00 0.00 179.45 179.92 3rpb n ASN 664 N -3.83 7.30 0.00 7.07 4.13 0.29 -4.87 115.26 125.34 3rpb n ASN 664 Ca -0.17 -3.68 0.00 0.00 1.68 0.00 0.00 54.58 52.41 3rpb n ASN 664 Cb 1.02 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 3rpb n ASN 664 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3rpb n LYS 665 N 0.01 0.00 0.30 3.52 5.02 -0.85 -2.34 118.16 123.82 3rpb n LYS 665 Ca 0.46 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 57.00 3rpb n LYS 665 Cb 0.26 -0.91 0.66 0.00 -0.02 0.00 0.00 35.03 35.03 3rpb n LYS 665 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3rpb h ASP 666 N 0.00 0.00 -3.28 4.39 2.03 -1.83 -2.31 116.42 115.42 3rpb h ASP 666 Ca 0.00 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.73 3rpb h ASP 666 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 3rpb h ASP 666 CO 0.00 0.00 -0.02 -0.54 -1.03 0.00 0.00 179.24 177.65 3rpb s LYS 667 N -3.92 4.27 -0.15 4.15 -0.14 -0.99 -4.96 119.74 117.99 3rpb s LYS 667 Ca -0.03 0.73 -0.29 0.00 -1.36 0.00 0.00 55.97 55.02 3rpb s LYS 667 Cb 0.07 -3.30 -0.00 0.00 -1.68 0.00 0.00 37.83 32.92 3rpb s LYS 667 CO 0.22 0.48 1.04 0.15 -0.76 0.00 0.00 175.35 176.48 3rpb s LYS 668 N -0.57 4.35 -0.47 1.68 1.02 -1.26 -4.53 119.74 119.96 3rpb s LYS 668 Ca 0.30 1.40 -0.04 0.00 0.02 0.00 0.00 55.97 57.65 3rpb s LYS 668 Cb -0.19 -3.59 0.12 0.00 -0.52 0.00 0.00 37.83 33.66 3rpb s LYS 668 CO 0.18 -0.46 0.28 0.42 -0.92 0.00 0.00 175.35 174.85 3rpb s ILE 669 N 2.53 3.52 0.18 2.17 -1.09 0.12 -4.92 121.20 123.71 3rpb s ILE 669 Ca 0.47 -2.23 0.08 0.00 -2.23 0.00 0.00 60.65 56.75 3rpb s ILE 669 Cb -0.17 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 3rpb s ILE 669 CO 0.13 -0.75 -0.06 -1.83 -1.23 0.00 0.00 174.94 171.21 3rpb s GLU 670 N 0.89 2.20 -0.14 2.79 1.03 -1.26 0.17 118.70 124.38 3rpb s GLU 670 Ca 0.10 -1.21 -0.34 0.00 0.03 0.00 0.00 54.97 53.56 3rpb s GLU 670 Cb -0.23 -2.24 0.13 0.00 -0.80 0.00 0.00 34.13 31.00 3rpb s GLU 670 CO -0.04 0.44 1.17 -0.98 -1.33 0.00 0.00 175.26 174.53 3rpb s ARG 671 N -2.88 0.40 -0.11 -4.83 1.04 -0.51 -4.96 118.95 107.10 3rpb s ARG 671 Ca 0.26 -0.16 -0.21 0.00 -1.04 0.00 0.00 55.73 54.58 3rpb s ARG 671 Cb -0.09 0.18 -0.04 0.00 -2.04 0.00 0.00 34.95 32.96 3rpb s ARG 671 CO 0.17 -0.18 0.59 -1.58 -0.04 0.00 0.00 175.30 174.26 3rpb s TRP 672 N -2.53 3.52 -0.09 5.89 0.52 -1.26 -1.23 118.94 123.76 3rpb s TRP 672 Ca 0.09 1.04 -0.01 0.00 0.02 0.00 0.00 56.10 57.25 3rpb s TRP 672 Cb -0.00 -2.69 -0.03 0.00 -1.15 0.00 0.00 33.47 29.60 3rpb s TRP 672 CO -0.05 0.09 -0.03 -1.01 0.02 0.00 0.00 176.95 175.97 3rpb s HIS 673 N 0.85 3.04 -0.19 -1.98 3.76 -0.44 -4.93 115.29 115.40 3rpb s HIS 673 Ca 0.31 0.04 -0.26 0.00 -0.15 0.00 0.00 55.06 55.00 3rpb s HIS 673 Cb -0.16 -1.78 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 3rpb s HIS 673 CO 0.14 0.33 0.89 -0.65 -0.85 0.00 0.00 174.74 174.59 3rpb s GLN 674 N -0.65 4.28 0.27 1.40 -0.21 -1.26 -1.01 119.66 122.47 3rpb s GLN 674 Ca 0.10 1.10 -0.29 0.00 0.02 0.00 0.00 55.36 56.28 3rpb s GLN 674 Cb -0.12 -3.60 -0.10 0.00 1.00 0.00 0.00 33.01 30.20 3rpb s GLN 674 CO 0.02 -0.42 1.34 -0.51 -2.12 0.00 0.00 175.29 173.59 3rpb s LEU 675 N 2.48 4.42 0.20 2.90 1.43 -0.32 -4.66 118.68 125.12 3rpb s LEU 675 Ca 0.39 2.60 0.06 0.00 -1.03 0.00 0.00 54.13 56.16 3rpb s LEU 675 Cb -0.16 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3rpb s LEU 675 CO 0.11 -0.57 -0.11 -1.10 0.23 0.00 0.00 176.35 174.91 3rpb s GLN 676 N -0.95 1.28 -0.29 1.70 -1.52 0.22 -4.68 119.66 115.41 3rpb s GLN 676 Ca 0.54 -1.58 -0.10 0.00 -1.95 0.00 0.00 55.36 52.26 3rpb s GLN 676 Cb -0.39 -0.96 -0.03 0.00 -0.22 0.00 0.00 33.01 31.41 3rpb s GLN 676 CO 0.46 0.12 0.17 1.21 -0.25 0.00 0.00 175.29 177.00 3rpb s ASN 677 N -3.29 5.74 0.00 5.90 2.47 -1.26 -0.60 114.94 123.90 3rpb s ASN 677 Ca 0.22 -0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.25 3rpb s ASN 677 Cb 0.01 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.75 3rpb s ASN 677 CO 0.06 -0.12 0.00 -0.62 -3.72 0.00 0.00 177.10 172.70 3rpb n GLU 678 N 5.02 0.00 -3.87 0.43 -0.58 -1.26 -4.94 120.64 115.45 3rpb n GLU 678 Ca -0.14 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.30 3rpb n GLU 678 Cb 0.51 -0.26 -0.14 0.00 -0.57 0.00 0.00 31.44 30.98 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 -2.58 4.16 0.00 1.62 2.20 -1.26 -5.23 114.94 113.85 3rpb s ASN 679 Ca 0.00 -2.60 0.28 0.00 -0.94 0.00 0.00 52.86 49.60 3rpb s ASN 679 Cb 0.00 -1.37 1.02 0.00 -2.00 0.00 0.00 41.25 38.90 3rpb s ASN 679 CO 0.00 -0.29 1.73 1.57 -2.94 0.00 0.00 177.10 177.17