#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 1.49 3.05 -0.13 0.00 0.12 -3.19 105.19 106.53 3rpb n GLY 542 Ca 0.00 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.59 0.72 -0.15 1.61 1.02 0.40 -1.18 119.74 120.57 3rpb s LYS 543 Ca 0.00 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.52 3rpb s LYS 543 Cb 0.00 -0.67 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 3rpb s LYS 543 CO 0.00 0.17 -0.18 -1.50 -0.92 0.00 0.00 175.35 172.92 3rpb s ILE 544 N -0.53 2.42 -0.15 2.17 -1.16 -0.74 0.15 121.20 123.36 3rpb s ILE 544 Ca 0.01 -0.85 -0.29 0.00 -0.51 0.00 0.00 60.65 59.00 3rpb s ILE 544 Cb -0.05 -2.01 -0.01 0.00 0.61 0.00 0.00 42.46 41.01 3rpb s ILE 544 CO 0.00 0.53 1.03 -0.22 -2.81 0.00 0.00 174.94 173.47 3rpb s LEU 545 N 0.84 4.20 -0.03 8.50 2.96 0.48 -2.16 118.68 133.47 3rpb s LEU 545 Ca -0.05 1.49 0.06 0.00 -0.22 0.00 0.00 54.13 55.41 3rpb s LEU 545 Cb -0.15 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 3rpb s LEU 545 CO -0.01 -0.53 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.58 3rpb s VAL 546 N 2.43 1.73 -0.15 1.68 1.01 -0.07 -1.71 120.40 125.33 3rpb s VAL 546 Ca 0.47 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3rpb s VAL 546 Cb -0.17 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 3rpb s VAL 546 CO 0.14 0.49 -0.15 -0.55 0.00 0.00 0.00 175.10 175.03 3rpb s SER 547 N -0.38 3.71 0.12 3.32 0.15 0.41 -1.09 113.70 119.94 3rpb s SER 547 Ca 0.05 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.30 3rpb s SER 547 Cb -0.10 -1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 62.61 3rpb s SER 547 CO 0.00 0.11 0.10 -0.76 1.20 0.00 0.00 173.24 173.89 3rpb s LEU 548 N 0.68 3.77 -0.30 3.45 1.43 0.28 0.23 118.68 128.22 3rpb s LEU 548 Ca -0.08 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 3rpb s LEU 548 Cb -0.16 -2.42 0.18 0.00 0.03 0.00 0.00 46.19 43.82 3rpb s LEU 548 CO 0.02 0.13 1.11 -0.32 0.23 0.00 0.00 176.35 177.51 3rpb s MET 549 N -2.71 0.21 -0.17 1.70 1.75 0.12 0.17 119.30 120.37 3rpb s MET 549 Ca 0.30 0.43 -0.07 0.00 -1.25 0.00 0.00 55.69 55.10 3rpb s MET 549 Cb -0.11 0.17 -0.04 0.00 2.84 0.00 0.00 34.83 37.69 3rpb s MET 549 CO 0.22 -0.06 0.06 -0.47 -0.65 0.00 0.00 175.02 174.13 3rpb s TYR 550 N 1.77 3.27 -0.93 4.11 5.04 0.45 0.25 117.35 131.30 3rpb s TYR 550 Ca -0.05 0.11 -0.06 0.00 -2.44 0.00 0.00 57.07 54.63 3rpb s TYR 550 Cb -0.03 -2.04 0.23 0.00 0.35 0.00 0.00 41.96 40.47 3rpb s TYR 550 CO -0.15 0.23 0.85 0.45 -1.34 0.00 0.00 175.55 175.59 3rpb s SER 551 N 0.14 6.48 0.32 4.32 0.15 0.13 0.02 113.70 125.26 3rpb s SER 551 Ca 0.05 -3.44 0.09 0.00 0.70 0.00 0.00 55.95 53.35 3rpb s SER 551 Cb -0.12 -2.05 0.90 0.00 -1.71 0.00 0.00 66.02 63.04 3rpb s SER 551 CO 0.01 -0.29 1.70 0.71 1.20 0.00 0.00 173.24 176.56 3rpb h THR 552 N 4.16 0.43 -0.51 6.45 1.35 -1.94 0.74 112.91 123.59 3rpb h THR 552 Ca 0.14 -0.15 0.10 0.00 -0.55 0.00 0.00 66.41 65.95 3rpb h THR 552 Cb 0.88 -0.04 -0.09 0.00 -1.73 0.00 0.00 68.15 67.17 3rpb h THR 552 CO 0.88 0.08 -0.09 1.56 -0.25 0.00 0.00 175.52 177.70 3rpb h GLN 553 N 0.44 0.03 0.00 4.72 1.08 -1.93 0.32 115.11 119.76 3rpb h GLN 553 Ca 0.65 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.85 3rpb h GLN 553 Cb 1.32 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 3rpb h GLN 553 CO -0.54 0.02 -0.04 1.96 -0.95 0.00 0.00 178.83 179.28 3rpb h GLN 554 N 0.03 0.00 -2.85 1.46 1.08 -0.70 -3.47 115.11 110.66 3rpb h GLN 554 Ca 0.25 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.30 3rpb h GLN 554 Cb 0.39 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.87 3rpb h GLN 554 CO -0.50 0.00 -0.26 0.41 -0.95 0.00 0.00 178.83 177.54 3rpb n GLY 555 N 1.19 0.38 3.72 3.46 0.00 0.21 -5.03 105.19 109.12 3rpb n GLY 555 Ca 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.15 0.59 0.22 -0.02 0.00 -1.13 -4.27 107.32 99.56 3rpb s GLY 556 Ca 0.20 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 44.08 3rpb s GLY 556 CO 0.27 -0.47 0.33 -2.27 0.00 0.00 0.00 173.10 170.96 3rpb s LEU 557 N -3.09 4.29 -0.12 0.66 2.96 -0.06 -0.70 118.68 122.63 3rpb s LEU 557 Ca 0.19 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 3rpb s LEU 557 Cb -0.04 -2.84 0.02 0.00 0.50 0.00 0.00 46.19 43.83 3rpb s LEU 557 CO 0.13 -0.04 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.39 3rpb s ILE 558 N -1.93 1.23 -0.20 6.68 -1.09 0.69 0.18 121.20 126.77 3rpb s ILE 558 Ca 0.34 -0.43 -0.05 0.00 -2.23 0.00 0.00 60.65 58.28 3rpb s ILE 558 Cb -0.09 -1.19 -0.03 0.00 -1.58 0.00 0.00 42.46 39.57 3rpb s ILE 558 CO 0.29 0.40 0.00 -0.69 -1.23 0.00 0.00 174.94 173.71 3rpb s VAL 559 N 1.50 3.99 -0.21 2.92 1.01 -1.07 -0.70 120.40 127.85 3rpb s VAL 559 Ca 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3rpb s VAL 559 Cb -0.13 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.45 3rpb s VAL 559 CO -0.07 0.43 -0.10 -0.83 0.00 0.00 0.00 175.10 174.53 3rpb s GLY 560 N 0.97 1.54 -0.60 4.51 0.00 0.61 0.27 107.32 114.62 3rpb s GLY 560 Ca 0.02 -1.22 -0.18 0.00 0.00 0.00 0.00 44.72 43.33 3rpb s GLY 560 CO 0.02 0.39 0.68 -0.42 0.00 0.00 0.00 173.10 173.77 3rpb s ILE 561 N 1.40 4.92 0.00 0.90 -1.09 0.49 0.16 121.20 127.97 3rpb s ILE 561 Ca 0.05 -1.16 0.00 0.00 -2.23 0.00 0.00 60.65 57.31 3rpb s ILE 561 Cb -0.14 -4.47 0.00 0.00 -1.58 0.00 0.00 42.46 36.27 3rpb s ILE 561 CO -0.07 -1.09 0.08 -0.38 -1.23 0.00 0.00 174.94 172.26 3rpb n ILE 562 N 5.43 0.00 -3.70 2.92 -0.00 -0.69 0.26 119.36 123.58 3rpb n ILE 562 Ca -0.09 0.32 -0.09 0.00 -0.00 0.00 0.00 62.75 62.89 3rpb n ILE 562 Cb 0.42 -0.79 -0.02 0.00 -0.00 0.00 0.00 39.64 39.25 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 -0.57 1.59 0.27 0.38 1.70 -1.23 0.26 118.95 121.35 3rpb s ARG 563 Ca 0.00 -0.80 0.10 0.00 -0.47 0.00 0.00 55.73 54.56 3rpb s ARG 563 Cb 0.00 0.60 -0.05 0.00 -0.57 0.00 0.00 34.95 34.93 3rpb s ARG 563 CO 0.00 -0.72 -0.16 0.00 -1.08 0.00 0.00 175.30 173.35 3rpb s VAL 565 N -2.68 0.03 -0.78 0.00 -7.23 0.39 -3.59 120.40 106.55 3rpb s VAL 565 Ca 0.29 -0.27 -0.02 0.00 -1.81 0.00 0.00 61.98 60.16 3rpb s VAL 565 Cb -0.02 -0.49 0.00 0.00 0.56 0.00 0.00 36.38 36.43 3rpb s VAL 565 CO 0.13 -0.15 0.66 1.41 -0.31 0.00 0.00 175.10 176.85 3rpb n HIS 566 N 2.09 -1.54 -3.09 2.82 8.25 -1.23 0.15 115.22 122.68 3rpb n HIS 566 Ca -0.18 0.60 -0.35 0.00 -0.26 0.00 0.00 57.72 57.53 3rpb n HIS 566 Cb 0.57 -3.71 -0.06 0.00 1.12 0.00 0.00 29.99 27.91 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 -4.76 4.26 0.97 2.41 1.43 -0.46 0.16 118.68 122.68 3rpb s LEU 567 Ca 0.16 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.54 3rpb s LEU 567 Cb -0.07 -3.76 0.17 0.00 0.03 0.00 0.00 46.19 42.56 3rpb s LEU 567 CO 0.45 -0.05 1.09 0.00 0.23 0.00 0.00 176.35 178.07 3rpb s ALA 568 N -1.67 1.08 -0.23 4.21 0.00 -1.19 -4.74 121.76 119.22 3rpb s ALA 568 Ca 0.47 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.26 3rpb s ALA 568 Cb -0.15 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3rpb s ALA 568 CO 0.20 -2.73 -0.01 0.00 0.00 0.00 0.00 175.76 173.22 3rpb s ALA 569 N -2.86 2.93 -0.26 0.00 0.00 -1.26 -4.11 121.76 116.20 3rpb s ALA 569 Ca 0.65 -1.15 0.22 0.00 0.00 0.00 0.00 51.96 51.69 3rpb s ALA 569 Cb -0.19 -1.82 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 3rpb s ALA 569 CO 0.58 -0.43 0.91 -1.33 0.00 0.00 0.00 175.76 175.49 3rpb n MET 570 N 4.80 0.55 -3.56 0.00 2.81 0.33 -4.77 117.12 117.29 3rpb n MET 570 Ca -0.18 0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.52 3rpb n MET 570 Cb 0.51 -1.71 -0.01 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 -4.87 6.19 0.00 7.83 1.11 -0.40 -4.98 116.67 121.55 3rpb s ASP 571 Ca -0.01 0.18 0.16 0.00 0.18 0.00 0.00 52.55 53.05 3rpb s ASP 571 Cb 0.12 -1.77 0.71 0.00 1.07 0.00 0.00 42.92 43.05 3rpb s ASP 571 CO 0.82 -0.29 1.48 0.00 1.18 0.00 0.00 175.17 178.36 3rpb n ALA 572 N -1.66 1.77 1.06 5.23 0.00 -1.26 -2.03 120.51 123.61 3rpb n ALA 572 Ca -0.05 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.47 3rpb n ALA 572 Cb 0.57 -1.25 0.55 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.42 0.13 0.00 0.00 2.85 -1.26 -4.90 115.26 110.66 3rpb n ASN 573 Ca 0.05 0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 3rpb n ASN 573 Cb 0.16 -0.30 0.00 0.00 1.24 0.00 0.00 39.78 40.88 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 1.47 0.80 0.00 8.20 0.00 -0.86 -5.07 105.19 109.73 3rpb n GLY 574 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.35 0.00 -3.98 1.61 4.02 -1.26 -4.55 117.16 110.65 3rpb n TYR 575 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 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 0.43 -1.01 0.00 0.00 176.86 176.28 3rpb n SER 576 N -1.60 -1.62 -3.04 7.72 7.64 -1.25 0.12 113.62 121.60 3rpb n SER 576 Ca 0.00 -2.82 -0.22 0.00 1.01 0.00 0.00 58.87 56.84 3rpb n SER 576 Cb 0.00 2.90 -0.03 0.00 -1.01 0.00 0.00 64.21 66.07 3rpb n SER 576 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3rpb n ASP 577 N -1.59 2.55 -4.77 6.43 8.00 -1.26 -0.38 116.55 125.53 3rpb n ASP 577 Ca -0.02 -3.31 -0.35 0.00 0.71 0.00 0.00 54.79 51.82 3rpb n ASP 577 Cb 0.59 -0.58 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.94 3.26 0.10 -0.24 0.04 -1.26 0.25 135.00 134.21 3rpb s PRO 578 Ca 0.44 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 3rpb s PRO 578 Cb 0.33 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.88 3rpb s PRO 578 CO -0.10 -0.94 0.21 -0.59 0.04 0.00 0.00 177.00 175.61 3rpb s PHE 579 N -1.73 0.19 -0.10 0.56 -0.71 0.11 -2.32 117.98 113.98 3rpb s PHE 579 Ca 0.74 -0.61 0.02 0.00 -1.04 0.00 0.00 56.93 56.04 3rpb s PHE 579 Cb -0.25 -0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.48 3rpb s PHE 579 CO 0.28 -0.57 -0.16 0.08 -1.34 0.00 0.00 175.22 173.51 3rpb s VAL 580 N -3.88 2.85 -0.10 -2.49 1.01 -1.26 -0.55 120.40 115.98 3rpb s VAL 580 Ca 0.07 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3rpb s VAL 580 Cb 0.05 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 3rpb s VAL 580 CO -0.09 0.55 -0.16 -0.54 0.00 0.00 0.00 175.10 174.86 3rpb s LYS 581 N 0.01 3.04 -0.02 2.72 1.02 0.22 0.17 119.74 126.89 3rpb s LYS 581 Ca -0.05 -0.74 0.08 0.00 0.02 0.00 0.00 55.97 55.28 3rpb s LYS 581 Cb -0.14 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 3rpb s LYS 581 CO 0.04 0.33 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.03 3rpb s LEU 582 N 0.03 2.05 -0.17 3.17 1.02 -0.86 -0.75 118.68 123.18 3rpb s LEU 582 Ca -0.06 -0.46 -0.06 0.00 0.02 0.00 0.00 54.13 53.57 3rpb s LEU 582 Cb -0.15 -1.32 0.08 0.00 0.02 0.00 0.00 46.19 44.83 3rpb s LEU 582 CO 0.05 0.31 0.34 0.86 0.02 0.00 0.00 176.35 177.93 3rpb s TRP 583 N -0.58 -0.62 -0.48 0.29 -0.00 -1.07 0.20 118.94 116.68 3rpb s TRP 583 Ca 0.09 1.21 -0.20 0.00 -0.00 0.00 0.00 56.10 57.20 3rpb s TRP 583 Cb -0.10 0.12 0.04 0.00 -0.00 0.00 0.00 33.47 33.53 3rpb s TRP 583 CO -0.01 -0.44 0.65 -1.17 -0.00 0.00 0.00 176.95 175.98 3rpb s LEU 584 N 2.52 4.74 0.39 5.86 2.96 -1.25 -1.01 118.68 132.88 3rpb s LEU 584 Ca 0.01 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.18 3rpb s LEU 584 Cb -0.12 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 3rpb s LEU 584 CO -0.11 -0.87 0.69 -0.54 -1.32 0.00 0.00 176.35 174.20 3rpb s LYS 585 N 2.78 3.64 -0.46 1.98 1.02 -0.24 -3.18 119.74 125.28 3rpb s LYS 585 Ca 0.19 0.19 -0.27 0.00 0.02 0.00 0.00 55.97 56.09 3rpb s LYS 585 Cb -0.17 -2.49 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 3rpb s LYS 585 CO 0.15 0.01 1.02 -1.25 -0.92 0.00 0.00 175.35 174.36 3rpb s PRO 586 N -4.04 3.63 -0.13 -1.68 0.05 -1.26 -1.38 135.00 130.19 3rpb s PRO 586 Ca 0.47 0.36 -0.12 0.00 0.05 0.00 0.00 61.00 61.76 3rpb s PRO 586 Cb -0.10 -3.91 -0.05 0.00 0.05 0.00 0.00 34.50 30.48 3rpb s PRO 586 CO 0.35 -1.28 0.43 -0.40 0.05 0.00 0.00 177.00 176.15 3rpb n ASP 587 N 7.44 0.31 -0.02 6.66 5.75 -1.19 -4.84 116.55 130.66 3rpb n ASP 587 Ca 0.09 0.31 -0.12 0.00 -0.01 0.00 0.00 54.79 55.06 3rpb n ASP 587 Cb 0.49 -0.23 -0.14 0.00 -1.03 0.00 0.00 41.12 40.20 3rpb n ASP 587 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 3rpb n MET 588 N 1.10 0.66 0.00 0.11 0.00 -1.26 -4.42 117.12 113.31 3rpb n MET 588 Ca 0.08 0.29 0.00 0.00 0.00 0.00 0.00 57.70 58.07 3rpb n MET 588 Cb -0.02 -1.77 -0.00 0.00 0.00 0.00 0.00 33.22 31.43 3rpb n MET 588 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3rpb n GLY 589 N 1.66 0.18 2.44 3.17 0.00 -1.26 -5.00 105.19 106.38 3rpb n GLY 589 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.67 0.00 -0.08 1.61 4.81 -1.26 -4.76 118.16 117.80 3rpb n LYS 590 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 3rpb n LYS 590 Cb 0.01 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.12 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3rpb n LYS 591 N 0.00 1.38 0.31 1.64 5.02 -1.26 -3.99 118.16 121.26 3rpb n LYS 591 Ca 0.00 -0.53 0.21 0.00 -2.02 0.00 0.00 58.31 55.96 3rpb n LYS 591 Cb 0.00 -1.16 1.10 0.00 -0.02 0.00 0.00 35.03 34.95 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3rpb h ALA 592 N 3.19 1.02 -2.30 7.82 0.00 -1.91 -3.42 119.26 123.66 3rpb h ALA 592 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3rpb h ALA 592 Cb 0.25 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.07 3rpb h ALA 592 CO 0.01 -0.02 0.38 0.15 0.00 0.00 0.00 179.25 179.76 3rpb s LYS 593 N -4.05 3.72 0.31 0.00 1.02 -1.24 -3.79 119.74 115.72 3rpb s LYS 593 Ca -0.04 1.26 -0.00 0.00 0.02 0.00 0.00 55.97 57.20 3rpb s LYS 593 Cb 0.12 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 3rpb s LYS 593 CO 0.37 -0.49 0.38 -1.01 -0.92 0.00 0.00 175.35 173.68 3rpb s HIS 594 N -2.19 1.21 -0.30 3.18 3.76 0.54 -4.88 115.29 116.61 3rpb s HIS 594 Ca 0.65 -1.36 -0.10 0.00 -0.15 0.00 0.00 55.06 54.10 3rpb s HIS 594 Cb -0.15 -0.29 0.13 0.00 1.11 0.00 0.00 32.58 33.38 3rpb s HIS 594 CO 0.25 -0.99 0.67 -1.59 -0.85 0.00 0.00 174.74 172.23 3rpb s LYS 595 N -3.37 0.56 0.68 1.40 0.00 -1.25 -2.02 119.74 115.73 3rpb s LYS 595 Ca 0.34 1.39 -0.11 0.00 0.00 0.00 0.00 55.97 57.59 3rpb s LYS 595 Cb 0.01 0.84 -0.00 0.00 0.00 0.00 0.00 37.83 38.68 3rpb s LYS 595 CO 0.20 -0.21 1.06 0.95 0.00 0.00 0.00 175.35 177.36 3rpb s THR 596 N 2.87 4.05 0.79 3.79 -4.23 0.44 -4.93 115.64 118.41 3rpb s THR 596 Ca -0.05 0.66 -0.16 0.00 -1.18 0.00 0.00 61.69 60.97 3rpb s THR 596 Cb -0.12 -3.58 -0.06 0.00 1.34 0.00 0.00 72.50 70.08 3rpb s THR 596 CO -0.19 -0.87 0.16 0.00 -0.54 0.00 0.00 174.62 173.18 3rpb n GLN 597 N -2.97 0.09 -3.04 3.99 10.64 -1.26 -4.28 117.38 120.55 3rpb n GLN 597 Ca 0.07 0.06 -0.40 0.00 -1.83 0.00 0.00 57.00 54.90 3rpb n GLN 597 Cb 0.55 -1.56 -0.05 0.00 -0.86 0.00 0.00 30.24 28.32 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3rpb s ILE 598 N -2.03 5.01 -0.50 -0.39 -1.09 -1.26 -4.60 121.20 116.33 3rpb s ILE 598 Ca 0.58 1.40 -0.00 0.00 -2.23 0.00 0.00 60.65 60.39 3rpb s ILE 598 Cb -0.31 -4.03 0.44 0.00 -1.58 0.00 0.00 42.46 36.98 3rpb s ILE 598 CO 0.66 0.16 1.95 0.29 -1.23 0.00 0.00 174.94 176.77 3rpb n LYS 599 N 4.45 2.30 -0.61 2.79 4.01 -0.98 -5.01 118.16 125.11 3rpb n LYS 599 Ca -0.00 -2.69 -0.21 0.00 -0.51 0.00 0.00 58.31 54.90 3rpb n LYS 599 Cb 0.50 -2.05 -0.01 0.00 -0.51 0.00 0.00 35.03 32.96 3rpb n LYS 599 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3rpb n LYS 600 N -0.65 0.00 -2.57 1.97 5.02 -1.26 -3.46 118.16 117.21 3rpb n LYS 600 Ca 0.52 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.72 3rpb n LYS 600 Cb 0.92 -0.44 0.04 0.00 -0.02 0.00 0.00 35.03 35.54 3rpb n LYS 600 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3rpb n LYS 601 N 0.45 -1.68 0.00 1.97 4.01 -0.11 -4.92 118.16 117.87 3rpb n LYS 601 Ca 0.08 0.51 0.00 0.00 -0.51 0.00 0.00 58.31 58.38 3rpb n LYS 601 Cb 0.11 -4.09 0.00 0.00 -0.51 0.00 0.00 35.03 30.54 3rpb n LYS 601 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3rpb n THR 602 N -2.55 0.00 0.14 -0.18 5.66 0.49 -4.91 114.28 112.93 3rpb n THR 602 Ca -0.06 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.96 3rpb n THR 602 Cb 0.57 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.33 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 0.14 -2.76 1.09 4.77 -1.26 -3.78 117.00 115.20 3rpb n LEU 603 Ca 0.00 -0.36 -0.16 0.00 -0.03 0.00 0.00 56.01 55.46 3rpb n LEU 603 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3rpb n LEU 603 CO 0.00 0.03 -0.06 0.59 -1.33 0.00 0.00 177.39 176.63 3rpb n ASN 604 N -1.25 2.22 -4.22 -1.43 3.02 -1.26 -1.36 115.26 110.98 3rpb n ASN 604 Ca 0.00 -3.06 -0.30 0.00 -0.03 0.00 0.00 54.58 51.20 3rpb n ASN 604 Cb 0.08 -0.54 0.18 0.00 -0.61 0.00 0.00 39.78 38.88 3rpb n ASN 604 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3rpb s PRO 605 N -3.09 0.69 -0.17 3.52 0.04 -1.24 -4.81 135.00 129.96 3rpb s PRO 605 Ca 0.36 -0.31 -0.00 0.00 0.04 0.00 0.00 61.00 61.08 3rpb s PRO 605 Cb 0.41 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 33.15 3rpb s PRO 605 CO -0.05 -2.39 -0.06 -2.00 0.04 0.00 0.00 177.00 172.54 3rpb s GLU 606 N -5.81 1.50 -0.13 4.56 -6.30 -1.26 -1.57 118.70 109.70 3rpb s GLU 606 Ca 0.72 -0.54 -0.28 0.00 -2.50 0.00 0.00 54.97 52.37 3rpb s GLU 606 Cb -0.05 -2.03 -0.26 0.00 0.00 0.00 0.00 34.13 31.78 3rpb s GLU 606 CO 0.53 -0.42 0.80 0.74 0.02 0.00 0.00 175.26 176.92 3rpb h PHE 607 N 8.11 0.07 -6.41 5.30 0.04 0.33 -3.47 116.94 120.91 3rpb h PHE 607 Ca -0.25 -0.05 -0.48 0.00 2.80 0.00 0.00 57.97 59.99 3rpb h PHE 607 Cb 1.11 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 3rpb h PHE 607 CO 0.45 1.03 -0.88 -1.71 -0.60 0.00 0.00 178.31 176.60 3rpb n ASN 608 N -4.56 -0.53 -4.57 2.17 2.85 0.72 -4.90 115.26 106.44 3rpb n ASN 608 Ca -0.10 -0.97 -0.34 0.00 -0.11 0.00 0.00 54.58 53.06 3rpb n ASN 608 Cb 0.52 -3.26 -0.11 0.00 1.24 0.00 0.00 39.78 38.17 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 -6.43 3.14 -0.32 1.20 2.02 0.44 -4.91 118.70 113.84 3rpb s GLU 609 Ca 0.01 -0.51 -0.06 0.00 0.02 0.00 0.00 54.97 54.43 3rpb s GLU 609 Cb -0.00 -2.75 0.03 0.00 0.10 0.00 0.00 34.13 31.51 3rpb s GLU 609 CO 0.87 0.51 0.08 -1.21 0.02 0.00 0.00 175.26 175.54 3rpb s GLU 610 N -0.39 2.73 0.58 1.61 2.02 -1.26 0.18 118.70 124.18 3rpb s GLU 610 Ca 0.06 -1.10 0.04 0.00 0.02 0.00 0.00 54.97 53.99 3rpb s GLU 610 Cb -0.12 -3.38 0.07 0.00 0.10 0.00 0.00 34.13 30.79 3rpb s GLU 610 CO 0.02 -0.59 0.81 -0.06 0.02 0.00 0.00 175.26 175.46 3rpb s PHE 611 N 1.41 2.16 -0.14 1.61 0.40 0.75 -4.94 117.98 119.23 3rpb s PHE 611 Ca -0.01 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.97 3rpb s PHE 611 Cb -0.19 -2.64 0.07 0.00 0.51 0.00 0.00 43.02 40.77 3rpb s PHE 611 CO 0.02 -1.10 0.21 0.12 0.70 0.00 0.00 175.22 175.17 3rpb s PHE 612 N -2.78 -0.29 0.06 0.36 5.36 -1.26 -2.59 117.98 116.84 3rpb s PHE 612 Ca 0.61 0.61 -0.01 0.00 -0.96 0.00 0.00 56.93 57.17 3rpb s PHE 612 Cb -0.08 -0.22 -0.04 0.00 -0.34 0.00 0.00 43.02 42.34 3rpb s PHE 612 CO 0.39 -0.40 0.23 0.71 -1.46 0.00 0.00 175.22 174.70 3rpb s TYR 613 N 2.35 3.52 -0.89 10.12 1.51 0.49 -4.94 117.35 129.50 3rpb s TYR 613 Ca 0.04 0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.43 3rpb s TYR 613 Cb -0.13 -1.82 0.29 0.00 -0.11 0.00 0.00 41.96 40.19 3rpb s TYR 613 CO -0.09 0.58 1.18 -0.25 -1.11 0.00 0.00 175.55 175.87 3rpb n ASP 614 N 0.41 5.34 -4.17 2.29 9.92 -1.26 -0.88 116.55 128.20 3rpb n ASP 614 Ca -0.06 -3.44 -0.21 0.00 -0.53 0.00 0.00 54.79 50.55 3rpb n ASP 614 Cb 0.51 -1.02 -0.14 0.00 -0.64 0.00 0.00 41.12 39.84 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3rpb s ILE 615 N -2.71 1.26 0.10 0.53 1.10 -1.26 -4.99 121.20 115.23 3rpb s ILE 615 Ca 0.35 -1.04 -0.30 0.00 -0.51 0.00 0.00 60.65 59.14 3rpb s ILE 615 Cb 0.09 -1.12 -0.06 0.00 0.15 0.00 0.00 42.46 41.52 3rpb s ILE 615 CO 0.06 0.06 1.15 -0.54 -2.11 0.00 0.00 174.94 173.56 3rpb s LYS 616 N -1.13 4.49 0.25 3.50 1.02 -1.26 -4.06 119.74 122.55 3rpb s LYS 616 Ca 0.03 1.73 -0.09 0.00 0.02 0.00 0.00 55.97 57.66 3rpb s LYS 616 Cb -0.08 -3.33 0.39 0.00 -0.52 0.00 0.00 37.83 34.29 3rpb s LYS 616 CO 0.01 -0.13 1.59 1.25 -0.92 0.00 0.00 175.35 177.15 3rpb h HIS 617 N 6.23 -0.37 0.00 3.18 -0.00 -1.94 1.69 115.15 123.93 3rpb h HIS 617 Ca -0.42 0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 3rpb h HIS 617 Cb 1.21 0.30 0.00 0.00 -0.00 0.00 0.00 27.41 28.92 3rpb h HIS 617 CO 0.65 -0.35 0.07 1.03 -0.00 0.00 0.00 177.93 179.33 3rpb h SER 618 N 0.01 0.00 0.00 3.26 0.87 -2.01 -0.73 113.55 114.95 3rpb h SER 618 Ca 0.41 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.75 3rpb h SER 618 Cb 0.66 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 3rpb h SER 618 CO -0.84 0.00 -1.96 0.47 -0.53 0.00 0.00 176.83 173.97 3rpb n ASP 619 N -2.24 1.38 -0.04 6.23 9.92 0.54 -4.68 116.55 127.65 3rpb n ASP 619 Ca -0.01 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.23 3rpb n ASP 619 Cb 0.10 1.01 -0.01 0.00 -0.64 0.00 0.00 41.12 41.58 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 -2.46 -0.11 -0.31 0.64 4.77 0.10 -0.07 117.00 119.56 3rpb n LEU 620 Ca -0.20 0.87 0.05 0.00 -0.03 0.00 0.00 56.01 56.70 3rpb n LEU 620 Cb 0.88 -0.37 0.13 0.00 -2.33 0.00 0.00 43.42 41.73 3rpb n LEU 620 CO 0.31 -0.49 0.57 0.00 -1.33 0.00 0.00 177.39 176.46 3rpb n ALA 621 N -2.87 0.22 0.31 -1.18 0.00 -1.25 0.28 120.51 116.01 3rpb n ALA 621 Ca 0.00 0.95 0.17 0.00 0.00 0.00 0.00 53.44 54.56 3rpb n ALA 621 Cb 0.03 -0.57 0.76 0.00 0.00 0.00 0.00 19.45 19.67 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 0.00 0.00 6.56 -0.77 -3.11 116.57 119.25 3rpb h LYS 622 Ca 0.42 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.81 3rpb h LYS 622 Cb 0.65 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 32.40 3rpb h LYS 622 CO -0.89 0.00 0.06 1.63 -2.06 0.00 0.00 179.45 178.19 3rpb n LYS 623 N -2.83 -2.07 -3.15 3.15 4.76 0.80 -4.76 118.16 114.07 3rpb n LYS 623 Ca -0.00 -0.87 0.04 0.00 -2.87 0.00 0.00 58.31 54.60 3rpb n LYS 623 Cb 0.21 -0.82 -0.00 0.00 -1.84 0.00 0.00 35.03 32.58 3rpb n LYS 623 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3rpb s SER 624 N -2.98 -1.52 -0.26 4.39 1.04 -0.48 -3.99 113.70 109.89 3rpb s SER 624 Ca 0.35 0.50 -0.29 0.00 0.48 0.00 0.00 55.95 56.99 3rpb s SER 624 Cb -0.03 2.10 0.01 0.00 0.10 0.00 0.00 66.02 68.19 3rpb s SER 624 CO 0.27 -0.28 1.05 -0.22 0.98 0.00 0.00 173.24 175.04 3rpb s LEU 625 N 2.84 4.05 -0.57 2.42 2.96 0.69 -1.08 118.68 129.99 3rpb s LEU 625 Ca 0.15 1.28 -0.11 0.00 -0.22 0.00 0.00 54.13 55.23 3rpb s LEU 625 Cb -0.12 -3.54 0.15 0.00 0.50 0.00 0.00 46.19 43.17 3rpb s LEU 625 CO -0.24 -0.74 0.47 -0.62 -1.32 0.00 0.00 176.35 173.91 3rpb s ASP 626 N 1.35 5.96 -0.55 3.68 -1.08 -0.18 0.25 116.67 126.11 3rpb s ASP 626 Ca 0.45 -2.15 -0.21 0.00 -0.52 0.00 0.00 52.55 50.12 3rpb s ASP 626 Cb -0.14 -2.08 0.06 0.00 -1.46 0.00 0.00 42.92 39.31 3rpb s ASP 626 CO 0.09 -0.67 0.74 -0.63 0.52 0.00 0.00 175.17 175.22 3rpb s ILE 627 N 1.02 4.70 -0.08 4.11 1.09 -0.29 -2.59 121.20 129.16 3rpb s ILE 627 Ca 0.09 -0.38 0.03 0.00 -1.10 0.00 0.00 60.65 59.29 3rpb s ILE 627 Cb -0.23 -4.42 -0.02 0.00 -1.06 0.00 0.00 42.46 36.72 3rpb s ILE 627 CO -0.02 -1.00 -0.17 -0.94 -0.10 0.00 0.00 174.94 172.72 3rpb s SER 628 N 2.98 3.76 -0.23 3.58 1.04 0.07 -0.21 113.70 124.69 3rpb s SER 628 Ca 0.19 -0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 3rpb s SER 628 Cb -0.18 -1.07 -0.02 0.00 0.10 0.00 0.00 66.02 64.85 3rpb s SER 628 CO 0.12 0.27 0.03 -0.69 0.98 0.00 0.00 173.24 173.95 3rpb s VAL 629 N -0.26 4.04 0.16 5.02 1.01 0.38 0.68 120.40 131.43 3rpb s VAL 629 Ca 0.01 -0.27 0.11 0.00 0.00 0.00 0.00 61.98 61.82 3rpb s VAL 629 Cb -0.13 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3rpb s VAL 629 CO 0.03 0.39 -0.24 0.26 0.00 0.00 0.00 175.10 175.53 3rpb s TRP 630 N 1.36 2.18 0.04 5.22 0.52 0.29 -0.33 118.94 128.22 3rpb s TRP 630 Ca 0.05 -0.39 -0.23 0.00 0.02 0.00 0.00 56.10 55.55 3rpb s TRP 630 Cb -0.15 -1.13 -0.06 0.00 -1.15 0.00 0.00 33.47 30.98 3rpb s TRP 630 CO 0.02 0.39 0.69 0.34 0.02 0.00 0.00 176.95 178.40 3rpb s ASP 631 N -2.36 7.13 0.24 2.95 2.15 0.61 0.04 116.67 127.44 3rpb s ASP 631 Ca 0.16 1.35 0.02 0.00 0.43 0.00 0.00 52.55 54.51 3rpb s ASP 631 Cb -0.09 -2.42 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 3rpb s ASP 631 CO 0.07 0.09 0.40 -0.47 -0.17 0.00 0.00 175.17 175.09 3rpb s TYR 632 N -0.31 3.47 -0.23 -5.34 6.14 0.69 0.59 117.35 122.37 3rpb s TYR 632 Ca 0.35 0.16 -0.11 0.00 0.64 0.00 0.00 57.07 58.11 3rpb s TYR 632 Cb -0.20 -1.72 0.09 0.00 0.42 0.00 0.00 41.96 40.55 3rpb s TYR 632 CO 0.21 0.37 0.53 -0.51 0.64 0.00 0.00 175.55 176.79 3rpb s ASP 633 N -3.70 -0.69 0.24 4.32 1.01 -1.25 -4.27 116.67 112.33 3rpb s ASP 633 Ca 0.36 1.22 -0.30 0.00 0.71 0.00 0.00 52.55 54.55 3rpb s ASP 633 Cb -0.10 1.39 -0.09 0.00 1.01 0.00 0.00 42.92 45.13 3rpb s ASP 633 CO 0.30 -0.22 1.00 0.27 0.21 0.00 0.00 175.17 176.74 3rpb s ILE 634 N 2.08 3.89 0.00 0.77 -0.00 -1.26 -3.19 121.20 123.49 3rpb s ILE 634 Ca -0.07 1.87 0.00 0.00 -0.00 0.00 0.00 60.65 62.45 3rpb s ILE 634 Cb -0.09 -4.19 0.00 0.00 -0.00 0.00 0.00 42.46 38.18 3rpb s ILE 634 CO -0.16 0.43 0.00 0.61 -0.00 0.00 0.00 174.94 175.82 3rpb n GLY 635 N 1.47 2.34 1.50 6.27 0.00 -1.26 -4.94 105.19 110.56 3rpb n GLY 635 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3rpb n GLY 635 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3rpb n LYS 636 N -2.00 0.23 -1.64 1.61 2.85 -1.19 -5.17 118.16 112.84 3rpb n LYS 636 Ca 0.00 -1.55 -0.25 0.00 -1.05 0.00 0.00 58.31 55.46 3rpb n LYS 636 Cb 0.00 1.25 0.17 0.00 -0.65 0.00 0.00 35.03 35.80 3rpb n LYS 636 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3rpb n SER 637 N -2.35 0.12 -2.95 -5.58 7.64 -1.26 -4.66 113.62 104.58 3rpb n SER 637 Ca 0.03 -1.43 -0.08 0.00 1.01 0.00 0.00 58.87 58.40 3rpb n SER 637 Cb 0.28 -0.86 0.04 0.00 -1.01 0.00 0.00 64.21 62.66 3rpb n SER 637 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3rpb n ASN 638 N -3.71 0.54 -3.81 6.43 6.94 -1.26 -3.95 115.26 116.43 3rpb n ASN 638 Ca 0.14 -1.44 -0.12 0.00 -0.02 0.00 0.00 54.58 53.14 3rpb n ASN 638 Cb 0.49 -0.22 -0.09 0.00 -2.36 0.00 0.00 39.78 37.60 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 -2.45 -0.10 -0.30 0.53 1.11 0.20 -4.95 116.67 110.71 3rpb s ASP 639 Ca 0.24 -0.02 -0.23 0.00 0.18 0.00 0.00 52.55 52.72 3rpb s ASP 639 Cb -0.01 0.28 -0.00 0.00 1.07 0.00 0.00 42.92 44.25 3rpb s ASP 639 CO 0.16 -0.39 0.77 -0.47 1.18 0.00 0.00 175.17 176.41 3rpb s TYR 640 N -1.26 3.21 -0.21 4.23 6.14 -1.26 0.23 117.35 128.43 3rpb s TYR 640 Ca -0.13 0.81 -0.06 0.00 0.64 0.00 0.00 57.07 58.32 3rpb s TYR 640 Cb -0.06 -3.17 -0.20 0.00 0.42 0.00 0.00 41.96 38.95 3rpb s TYR 640 CO 0.03 -0.54 0.01 -0.89 0.64 0.00 0.00 175.55 174.80 3rpb n ILE 641 N 5.49 1.60 0.00 3.14 5.41 -0.49 -4.81 119.36 129.71 3rpb n ILE 641 Ca 0.03 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.27 3rpb n ILE 641 Cb 0.48 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 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 1.92 3.81 0.00 7.39 0.00 0.55 -4.80 105.19 114.07 3rpb n GLY 642 Ca -0.41 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.46 3.15 3.50 -0.02 0.00 0.42 0.14 105.19 110.92 3rpb n GLY 643 Ca 0.00 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.27 3.67 -0.41 0.00 -0.21 -1.26 -1.14 119.66 118.04 3rpb s GLN 645 Ca -0.03 -0.18 0.02 0.00 0.02 0.00 0.00 55.36 55.19 3rpb s GLN 645 Cb -0.01 -3.24 0.12 0.00 1.00 0.00 0.00 33.01 30.88 3rpb s GLN 645 CO -0.02 0.61 0.18 -0.51 -2.12 0.00 0.00 175.29 173.43 3rpb s LEU 646 N -0.54 3.27 -0.03 2.90 1.43 0.69 -4.91 118.68 121.50 3rpb s LEU 646 Ca 0.12 -2.40 -0.04 0.00 -1.03 0.00 0.00 54.13 50.79 3rpb s LEU 646 Cb -0.12 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.89 3rpb s LEU 646 CO 0.02 -0.31 0.09 -0.83 0.23 0.00 0.00 176.35 175.55 3rpb s GLY 647 N 0.60 -0.03 0.47 -3.19 0.00 -1.26 0.25 107.32 104.16 3rpb s GLY 647 Ca 0.15 0.14 0.24 0.00 0.00 0.00 0.00 44.72 45.24 3rpb s GLY 647 CO -0.07 0.08 1.70 1.19 0.00 0.00 0.00 173.10 176.01 3rpb h ILE 648 N 4.87 0.00 -0.00 0.90 2.10 -1.67 0.78 117.51 124.49 3rpb h ILE 648 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.68 3rpb h ILE 648 Cb 1.20 0.53 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 3rpb h ILE 648 CO 0.44 0.00 0.00 -0.24 -1.08 0.00 0.00 178.15 177.27 3rpb n SER 649 N -2.47 0.02 -4.92 2.19 2.88 -1.26 -4.83 113.62 105.22 3rpb n SER 649 Ca -0.02 -1.41 -0.26 0.00 -1.33 0.00 0.00 58.87 55.85 3rpb n SER 649 Cb 0.23 -0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.76 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 -2.00 3.08 -0.12 -1.46 0.00 0.27 -5.10 121.76 116.43 3rpb s ALA 650 Ca 0.29 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 3rpb s ALA 650 Cb 0.13 -2.66 0.04 0.00 0.00 0.00 0.00 23.12 20.63 3rpb s ALA 650 CO 0.22 -1.34 0.30 -1.59 0.00 0.00 0.00 175.76 173.36 3rpb s LYS 651 N -5.29 0.30 0.00 0.00 0.00 -1.26 -4.60 119.74 108.89 3rpb s LYS 651 Ca 0.60 0.53 0.00 0.00 0.00 0.00 0.00 55.97 57.10 3rpb s LYS 651 Cb -0.11 0.02 0.00 0.00 0.00 0.00 0.00 37.83 37.74 3rpb s LYS 651 CO 0.45 -0.11 0.00 0.41 0.00 0.00 0.00 175.35 176.10 3rpb n GLY 652 N 3.68 2.77 0.04 0.59 0.00 -1.26 -4.78 105.19 106.22 3rpb n GLY 652 Ca -0.20 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.93 120.64 115.99 3rpb n GLU 653 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 3rpb n GLU 653 Cb 0.00 -0.05 0.34 0.00 1.43 0.00 0.00 31.44 33.16 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 0.73 -0.92 3.44 3.08 -1.91 0.10 114.38 118.90 3rpb h ARG 654 Ca 0.00 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.06 3rpb h ARG 654 Cb 0.00 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.83 3rpb h ARG 654 CO 0.00 0.48 0.59 1.25 -1.07 0.00 0.00 179.97 181.22 3rpb h LEU 655 N 0.75 0.96 -0.65 3.04 5.85 -1.81 0.12 115.31 123.56 3rpb h LEU 655 Ca 0.56 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.30 3rpb h LEU 655 Cb 0.90 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3rpb h LEU 655 CO -0.35 0.63 0.42 0.11 -0.34 0.00 0.00 178.44 178.91 3rpb h LYS 656 N 1.11 0.81 0.07 1.25 1.57 -1.16 -1.33 116.57 118.89 3rpb h LYS 656 Ca 0.39 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3rpb h LYS 656 Cb 0.10 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3rpb h LYS 656 CO -0.15 0.54 -0.04 1.25 -0.57 0.00 0.00 179.45 180.48 3rpb h HIS 657 N 0.84 -0.09 0.00 -1.35 2.76 -1.15 -2.84 115.15 113.32 3rpb h HIS 657 Ca 0.25 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 3rpb h HIS 657 Cb -0.03 0.03 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3rpb h HIS 657 CO -0.04 -0.06 0.00 1.87 -1.30 0.00 0.00 177.93 178.40 3rpb n TRP 658 N -2.71 0.00 -0.31 5.26 -0.00 0.34 -2.09 117.44 117.92 3rpb n TRP 658 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.47 3rpb n TRP 658 Cb 0.04 -0.08 0.02 0.00 -0.00 0.00 0.00 31.31 31.29 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 -1.21 -0.02 -0.31 5.87 4.19 -0.50 0.91 117.16 126.09 3rpb n TYR 659 Ca 0.00 1.00 0.19 0.00 3.31 0.00 0.00 57.90 62.40 3rpb n TYR 659 Cb 0.00 -0.78 0.37 0.00 0.49 0.00 0.00 39.34 39.42 3rpb n TYR 659 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 3rpb n GLU 660 N -5.17 -0.07 -0.32 2.98 -0.58 -0.89 0.28 120.64 116.87 3rpb n GLU 660 Ca 0.08 1.35 0.21 0.00 -0.42 0.00 0.00 57.16 58.37 3rpb n GLU 660 Cb 0.31 -2.23 0.47 0.00 -0.57 0.00 0.00 31.44 29.42 3rpb n GLU 660 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3rpb h LEU 662 N 0.46 0.99 0.06 0.00 4.07 0.39 0.28 115.31 121.55 3rpb h LEU 662 Ca 0.59 -0.39 -0.25 0.00 0.08 0.00 0.00 57.88 57.91 3rpb h LEU 662 Cb 1.38 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 3rpb h LEU 662 CO -0.32 1.16 -1.15 0.07 -1.08 0.00 0.00 178.44 177.11 3rpb h LYS 663 N 0.81 0.22 -1.35 1.13 2.10 -0.33 -3.30 116.57 115.86 3rpb h LYS 663 Ca 0.11 -0.36 -0.65 0.00 -2.00 0.00 0.00 60.65 57.75 3rpb h LYS 663 Cb 0.77 0.13 -0.35 0.00 -0.90 0.00 0.00 32.23 31.88 3rpb h LYS 663 CO 0.06 1.15 0.15 0.09 -2.00 0.00 0.00 179.45 178.90 3rpb n ASN 664 N -3.52 6.29 0.00 7.07 3.02 0.55 -4.94 115.26 123.74 3rpb n ASN 664 Ca -0.06 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.71 3rpb n ASN 664 Cb 0.98 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 3rpb n ASN 664 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3rpb n LYS 665 N -0.66 0.00 -0.39 3.52 5.02 0.99 0.02 118.16 126.66 3rpb n LYS 665 Ca 0.50 0.00 0.38 0.00 -2.02 0.00 0.00 58.31 57.17 3rpb n LYS 665 Cb 0.61 -0.29 0.67 0.00 -0.02 0.00 0.00 35.03 36.00 3rpb n LYS 665 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3rpb h ASP 666 N 0.00 0.00 -4.06 4.39 3.32 -0.69 0.13 116.42 119.51 3rpb h ASP 666 Ca 0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 3rpb h ASP 666 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3rpb h ASP 666 CO 0.00 0.00 0.34 -0.54 -1.72 0.00 0.00 179.24 177.32 3rpb s LYS 667 N -4.70 4.22 0.36 3.56 1.02 0.10 -4.79 119.74 119.52 3rpb s LYS 667 Ca -0.04 1.12 -0.06 0.00 0.02 0.00 0.00 55.97 57.02 3rpb s LYS 667 Cb 0.21 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.29 3rpb s LYS 667 CO 0.69 -0.04 0.65 0.15 -0.92 0.00 0.00 175.35 175.88 3rpb s LYS 668 N -3.19 3.63 -0.30 1.68 1.02 -1.26 -4.26 119.74 117.06 3rpb s LYS 668 Ca 0.62 0.11 -0.03 0.00 0.02 0.00 0.00 55.97 56.69 3rpb s LYS 668 Cb -0.09 -2.54 0.10 0.00 -0.52 0.00 0.00 37.83 34.79 3rpb s LYS 668 CO 0.13 0.07 0.14 0.42 -0.92 0.00 0.00 175.35 175.19 3rpb s ILE 669 N -2.31 0.06 -0.16 2.17 -1.09 0.44 -4.89 121.20 115.43 3rpb s ILE 669 Ca 0.46 -0.95 -0.07 0.00 -2.23 0.00 0.00 60.65 57.86 3rpb s ILE 669 Cb -0.10 -1.07 -0.04 0.00 -1.58 0.00 0.00 42.46 39.66 3rpb s ILE 669 CO 0.34 -0.76 0.08 -1.61 -1.23 0.00 0.00 174.94 171.76 3rpb s GLU 670 N 1.92 3.77 0.15 2.79 8.01 -1.26 0.10 118.70 134.19 3rpb s GLU 670 Ca 0.10 -0.29 -0.16 0.00 0.01 0.00 0.00 54.97 54.63 3rpb s GLU 670 Cb -0.17 -3.18 0.03 0.00 -4.31 0.00 0.00 34.13 26.49 3rpb s GLU 670 CO -0.31 0.44 0.42 1.03 0.01 0.00 0.00 175.26 176.85 3rpb s ARG 671 N -0.08 1.18 -0.19 1.61 1.81 -0.25 -4.98 118.95 118.05 3rpb s ARG 671 Ca 0.07 -0.81 -0.09 0.00 -1.72 0.00 0.00 55.73 53.19 3rpb s ARG 671 Cb -0.12 0.47 -0.04 0.00 -0.45 0.00 0.00 34.95 34.81 3rpb s ARG 671 CO 0.01 -0.47 0.10 -1.58 -0.68 0.00 0.00 175.30 172.67 3rpb s TRP 672 N -3.84 3.34 -0.14 -0.53 0.52 -1.26 -0.89 118.94 116.13 3rpb s TRP 672 Ca 0.06 0.21 -0.01 0.00 0.02 0.00 0.00 56.10 56.39 3rpb s TRP 672 Cb 0.01 -2.11 -0.02 0.00 -1.15 0.00 0.00 33.47 30.21 3rpb s TRP 672 CO -0.08 0.24 -0.12 -1.01 0.02 0.00 0.00 176.95 176.01 3rpb s HIS 673 N 0.29 2.83 -0.21 -1.98 3.76 -0.92 -4.95 115.29 114.12 3rpb s HIS 673 Ca 0.06 -0.64 -0.29 0.00 -0.15 0.00 0.00 55.06 54.04 3rpb s HIS 673 Cb -0.12 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 3rpb s HIS 673 CO -0.01 -0.22 1.38 -0.65 -0.85 0.00 0.00 174.74 174.39 3rpb s GLN 674 N 0.40 4.05 0.15 1.40 -0.21 -1.26 -1.79 119.66 122.40 3rpb s GLN 674 Ca -0.10 1.59 -0.31 0.00 0.02 0.00 0.00 55.36 56.56 3rpb s GLN 674 Cb -0.16 -3.87 -0.10 0.00 1.00 0.00 0.00 33.01 29.88 3rpb s GLN 674 CO 0.05 -0.96 1.61 -0.51 -2.12 0.00 0.00 175.29 173.36 3rpb s LEU 675 N 4.14 4.37 0.23 2.90 1.43 -0.33 -4.61 118.68 126.82 3rpb s LEU 675 Ca 0.60 2.62 0.08 0.00 -1.03 0.00 0.00 54.13 56.41 3rpb s LEU 675 Cb -0.22 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 3rpb s LEU 675 CO 0.21 -0.86 -0.14 -1.10 0.23 0.00 0.00 176.35 174.70 3rpb s GLN 676 N 1.49 1.43 -0.64 1.70 -0.21 0.20 -4.59 119.66 119.04 3rpb s GLN 676 Ca 0.72 -1.66 -0.14 0.00 0.02 0.00 0.00 55.36 54.29 3rpb s GLN 676 Cb -0.44 -1.24 0.16 0.00 1.00 0.00 0.00 33.01 32.49 3rpb s GLN 676 CO 0.32 0.18 0.58 -0.80 -2.12 0.00 0.00 175.29 173.45 3rpb s ASN 677 N -3.38 6.32 0.00 5.90 -0.87 -1.26 -0.44 114.94 121.22 3rpb s ASN 677 Ca 0.25 -2.15 0.00 0.00 -1.57 0.00 0.00 52.86 49.39 3rpb s ASN 677 Cb -0.01 -2.18 0.00 0.00 -0.02 0.00 0.00 41.25 39.04 3rpb s ASN 677 CO 0.09 -0.73 0.37 1.21 -2.57 0.00 0.00 177.10 175.48 3rpb n GLU 678 N 4.71 0.00 0.00 -0.60 0.00 -1.26 -4.90 120.64 118.59 3rpb n GLU 678 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.45 3rpb n GLU 678 Cb 0.42 -0.87 0.00 0.00 0.00 0.00 0.00 31.44 30.99 3rpb n GLU 678 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3rpb n ASN 679 N -0.69 0.00 -0.41 4.31 4.13 -1.26 -5.21 115.26 116.12 3rpb n ASN 679 Ca 0.00 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.31 3rpb n ASN 679 Cb 0.00 0.01 0.04 0.00 -1.54 0.00 0.00 39.78 38.29 3rpb n ASN 679 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11