#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 -1.78 2.96 -0.13 0.00 -0.17 -2.62 105.19 103.45 3rpb n GLY 542 Ca 0.00 -2.21 -0.12 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 -0.82 0.28 -0.11 1.61 3.01 0.97 -0.81 119.74 123.88 3rpb s LYS 543 Ca 0.00 -0.39 0.04 0.00 -1.01 0.00 0.00 55.97 54.61 3rpb s LYS 543 Cb 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 37.83 36.73 3rpb s LYS 543 CO 0.00 0.01 -0.23 -1.50 0.51 0.00 0.00 175.35 174.14 3rpb s ILE 544 N -0.78 2.04 -0.19 2.17 -1.16 -0.54 0.12 121.20 122.86 3rpb s ILE 544 Ca -0.07 -1.00 -0.29 0.00 -0.51 0.00 0.00 60.65 58.78 3rpb s ILE 544 Cb -0.06 -1.77 0.00 0.00 0.61 0.00 0.00 42.46 41.24 3rpb s ILE 544 CO -0.00 0.55 1.05 -0.22 -2.81 0.00 0.00 174.94 173.51 3rpb s LEU 545 N 0.45 4.15 -0.11 8.50 2.96 0.60 -1.94 118.68 133.29 3rpb s LEU 545 Ca -0.16 1.45 0.01 0.00 -0.22 0.00 0.00 54.13 55.21 3rpb s LEU 545 Cb -0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 3rpb s LEU 545 CO 0.07 -0.61 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.65 3rpb s VAL 546 N 2.85 2.90 -0.37 1.68 1.01 0.09 -1.78 120.40 126.78 3rpb s VAL 546 Ca 0.46 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3rpb s VAL 546 Cb -0.17 -2.18 0.09 0.00 0.00 0.00 0.00 36.38 34.12 3rpb s VAL 546 CO 0.10 0.54 0.12 -0.94 0.00 0.00 0.00 175.10 174.93 3rpb s SER 547 N 0.11 5.12 0.49 3.32 1.04 0.46 -1.48 113.70 122.75 3rpb s SER 547 Ca -0.07 -1.74 -0.02 0.00 0.48 0.00 0.00 55.95 54.60 3rpb s SER 547 Cb -0.15 -1.78 -0.00 0.00 0.10 0.00 0.00 66.02 64.18 3rpb s SER 547 CO 0.05 -0.43 0.73 -0.76 0.98 0.00 0.00 173.24 173.81 3rpb s LEU 548 N 1.18 3.55 0.00 2.42 1.43 0.54 0.19 118.68 127.99 3rpb s LEU 548 Ca 0.04 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 3rpb s LEU 548 Cb -0.21 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.69 3rpb s LEU 548 CO -0.03 -0.77 0.00 0.80 0.23 0.00 0.00 176.35 176.58 3rpb n MET 549 N -2.21 0.00 -4.06 1.70 1.56 0.13 0.26 117.12 114.49 3rpb n MET 549 Ca 0.02 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.10 3rpb n MET 549 Cb 0.57 0.00 -0.09 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 3.30 -0.74 1.12 5.04 -1.19 0.26 117.35 125.13 3rpb s TYR 550 Ca 0.00 0.19 -0.14 0.00 -2.44 0.00 0.00 57.07 54.68 3rpb s TYR 550 Cb 0.00 -1.99 0.19 0.00 0.35 0.00 0.00 41.96 40.52 3rpb s TYR 550 CO 0.00 0.34 0.69 -1.54 -1.34 0.00 0.00 175.55 173.70 3rpb s SER 551 N -0.19 6.58 0.24 4.32 1.04 0.43 -2.77 113.70 123.35 3rpb s SER 551 Ca 0.08 -2.44 -0.04 0.00 0.48 0.00 0.00 55.95 54.03 3rpb s SER 551 Cb -0.12 -2.20 0.27 0.00 0.10 0.00 0.00 66.02 64.06 3rpb s SER 551 CO 0.01 -0.65 1.74 0.71 0.98 0.00 0.00 173.24 176.04 3rpb h THR 552 N 5.11 1.25 -0.78 2.02 1.35 -1.92 1.52 112.91 121.44 3rpb h THR 552 Ca -0.01 -1.00 0.11 0.00 -0.55 0.00 0.00 66.41 64.97 3rpb h THR 552 Cb 1.06 0.77 -0.08 0.00 -1.73 0.00 0.00 68.15 68.17 3rpb h THR 552 CO 0.83 0.36 0.40 1.56 -0.25 0.00 0.00 175.52 178.43 3rpb h GLN 553 N 0.85 0.63 0.00 4.72 4.20 -1.94 -0.72 115.11 122.85 3rpb h GLN 553 Ca 0.17 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3rpb h GLN 553 Cb 0.43 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3rpb h GLN 553 CO 0.02 0.41 -1.06 1.04 -0.67 0.00 0.00 178.83 178.57 3rpb n GLN 554 N -4.84 0.58 -2.54 1.46 6.02 -0.95 -4.98 117.38 112.13 3rpb n GLN 554 Ca 0.14 0.09 -0.02 0.00 -0.01 0.00 0.00 57.00 57.20 3rpb n GLN 554 Cb 0.33 -1.79 0.01 0.00 1.02 0.00 0.00 30.24 29.81 3rpb n GLN 554 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3rpb n GLY 555 N 1.20 0.75 3.52 1.08 0.00 0.49 -5.06 105.19 107.17 3rpb n GLY 555 Ca -0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.02 0.56 0.25 -0.02 0.00 0.28 -4.36 107.32 101.01 3rpb s GLY 556 Ca 0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.85 3rpb s GLY 556 CO 0.06 -0.69 0.48 -2.27 0.00 0.00 0.00 173.10 170.68 3rpb s LEU 557 N -3.01 4.13 -0.11 0.66 2.96 -0.32 0.16 118.68 123.16 3rpb s LEU 557 Ca 0.22 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 3rpb s LEU 557 Cb 0.01 -3.35 0.02 0.00 0.50 0.00 0.00 46.19 43.37 3rpb s LEU 557 CO 0.07 -0.13 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.23 3rpb s ILE 558 N -2.00 1.21 -0.21 6.68 -1.09 0.71 0.18 121.20 126.68 3rpb s ILE 558 Ca 0.41 -0.44 -0.03 0.00 -2.23 0.00 0.00 60.65 58.36 3rpb s ILE 558 Cb -0.11 -1.16 -0.00 0.00 -1.58 0.00 0.00 42.46 39.61 3rpb s ILE 558 CO 0.30 0.39 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.63 3rpb s VAL 559 N 1.29 3.13 -0.22 2.92 1.01 -1.10 -0.70 120.40 126.73 3rpb s VAL 559 Ca -0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3rpb s VAL 559 Cb -0.14 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3rpb s VAL 559 CO -0.04 0.45 -0.04 -0.83 0.00 0.00 0.00 175.10 174.63 3rpb s GLY 560 N 1.40 1.61 -0.65 4.51 0.00 0.50 0.27 107.32 114.96 3rpb s GLY 560 Ca 0.05 -1.17 -0.18 0.00 0.00 0.00 0.00 44.72 43.42 3rpb s GLY 560 CO -0.05 0.43 0.73 -0.42 0.00 0.00 0.00 173.10 173.79 3rpb s ILE 561 N 1.48 4.96 0.00 0.90 -1.09 0.48 0.18 121.20 128.10 3rpb s ILE 561 Ca 0.06 -1.30 0.00 0.00 -2.23 0.00 0.00 60.65 57.17 3rpb s ILE 561 Cb -0.14 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.24 3rpb s ILE 561 CO -0.03 -1.12 0.28 -0.38 -1.23 0.00 0.00 174.94 172.45 3rpb n ILE 562 N 5.30 0.00 -3.82 2.92 -0.00 -0.74 0.22 119.36 123.25 3rpb n ILE 562 Ca -0.04 0.67 -0.08 0.00 -0.00 0.00 0.00 62.75 63.30 3rpb n ILE 562 Cb 0.43 -1.45 0.02 0.00 -0.00 0.00 0.00 39.64 38.64 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 -1.23 2.13 0.10 0.38 1.70 -1.23 0.26 118.95 121.06 3rpb s ARG 563 Ca 0.00 -1.37 0.02 0.00 -0.47 0.00 0.00 55.73 53.91 3rpb s ARG 563 Cb 0.00 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 34.94 3rpb s ARG 563 CO 0.00 -1.00 -0.07 0.00 -1.08 0.00 0.00 175.30 173.15 3rpb s VAL 565 N -3.46 0.08 -1.22 0.00 -7.23 0.33 -3.72 120.40 105.17 3rpb s VAL 565 Ca 0.12 -0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 59.57 3rpb s VAL 565 Cb 0.04 -0.29 -0.01 0.00 0.56 0.00 0.00 36.38 36.68 3rpb s VAL 565 CO -0.04 -0.35 0.74 1.41 -0.31 0.00 0.00 175.10 176.55 3rpb n HIS 566 N 1.86 -1.97 -2.21 2.82 8.25 -1.19 -0.02 115.22 122.76 3rpb n HIS 566 Ca -0.21 0.71 -0.29 0.00 -0.26 0.00 0.00 57.72 57.67 3rpb n HIS 566 Cb 0.56 -3.99 0.02 0.00 1.12 0.00 0.00 29.99 27.70 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 -6.44 3.28 0.41 2.41 1.43 -0.87 -1.00 118.68 117.90 3rpb s LEU 567 Ca 0.22 1.07 -0.19 0.00 -1.03 0.00 0.00 54.13 54.20 3rpb s LEU 567 Cb -0.06 -3.99 -0.10 0.00 0.03 0.00 0.00 46.19 42.06 3rpb s LEU 567 CO 0.82 -0.92 0.91 0.00 0.23 0.00 0.00 176.35 177.40 3rpb s ALA 568 N -3.05 3.10 -0.28 4.21 0.00 -1.08 -4.84 121.76 119.83 3rpb s ALA 568 Ca 0.53 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.82 3rpb s ALA 568 Cb -0.11 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 20.00 3rpb s ALA 568 CO 0.49 0.15 -0.07 0.00 0.00 0.00 0.00 175.76 176.33 3rpb s ALA 569 N -2.17 2.66 -0.22 0.00 0.00 -1.26 -4.26 121.76 116.51 3rpb s ALA 569 Ca 0.60 -1.81 0.22 0.00 0.00 0.00 0.00 51.96 50.98 3rpb s ALA 569 Cb -0.09 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3rpb s ALA 569 CO 0.15 -1.25 1.00 -1.33 0.00 0.00 0.00 175.76 174.34 3rpb n MET 570 N 4.48 0.61 -1.46 0.00 2.81 -1.07 -4.67 117.12 117.80 3rpb n MET 570 Ca -0.13 0.10 -0.32 0.00 -1.81 0.00 0.00 57.70 55.55 3rpb n MET 570 Cb 0.42 -1.81 0.07 0.00 -0.71 0.00 0.00 33.22 31.20 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 -5.31 4.81 0.00 7.83 1.11 -1.01 -4.91 116.67 119.19 3rpb s ASP 571 Ca -0.01 1.86 0.22 0.00 0.18 0.00 0.00 52.55 54.80 3rpb s ASP 571 Cb 0.10 -2.53 1.32 0.00 1.07 0.00 0.00 42.92 42.88 3rpb s ASP 571 CO 0.80 -1.83 1.71 0.00 1.18 0.00 0.00 175.17 177.03 3rpb n ALA 572 N -3.10 2.38 1.14 5.23 0.00 -1.26 -2.45 120.51 122.44 3rpb n ALA 572 Ca 0.09 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3rpb n ALA 572 Cb 0.53 -1.36 0.21 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.96 1.47 0.00 0.00 3.02 -1.26 -4.93 115.26 112.60 3rpb n ASN 573 Ca 0.17 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3rpb n ASN 573 Cb 0.08 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.37 0.73 0.00 7.41 0.00 -1.03 -5.03 105.19 108.65 3rpb n GLY 574 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.39 0.00 -3.92 1.61 4.02 -1.26 -4.56 117.16 110.66 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 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 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 -0.83 -0.09 -0.61 7.72 0.01 -1.26 -2.41 113.70 116.23 3rpb s SER 576 Ca 0.00 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 56.45 3rpb s SER 576 Cb 0.00 0.68 0.35 0.00 0.21 0.00 0.00 66.02 67.26 3rpb s SER 576 CO 0.00 -1.30 1.09 0.47 0.41 0.00 0.00 173.24 173.91 3rpb n ASP 577 N -0.59 4.89 -4.77 2.44 8.00 -1.25 0.61 116.55 125.87 3rpb n ASP 577 Ca -0.03 -3.70 -0.41 0.00 0.71 0.00 0.00 54.79 51.36 3rpb n ASP 577 Cb 0.60 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 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 -3.59 4.30 0.08 -0.24 0.04 -1.21 0.21 135.00 134.59 3rpb s PRO 578 Ca 0.48 2.29 -0.01 0.00 0.04 0.00 0.00 61.00 63.80 3rpb s PRO 578 Cb 0.29 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 3rpb s PRO 578 CO -0.15 -0.27 -0.01 -0.59 0.04 0.00 0.00 177.00 176.01 3rpb s PHE 579 N -1.04 0.67 -0.13 0.56 -0.71 0.11 -1.63 117.98 115.81 3rpb s PHE 579 Ca 0.50 -1.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.31 3rpb s PHE 579 Cb -0.41 -0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 40.95 3rpb s PHE 579 CO 0.54 -0.38 -0.14 0.08 -1.34 0.00 0.00 175.22 173.98 3rpb s VAL 580 N -3.91 3.00 -0.10 -2.49 1.01 -1.26 -0.41 120.40 116.24 3rpb s VAL 580 Ca 0.12 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3rpb s VAL 580 Cb 0.08 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 3rpb s VAL 580 CO -0.06 0.53 -0.13 -0.54 0.00 0.00 0.00 175.10 174.89 3rpb s LYS 581 N 0.31 3.05 -0.02 2.72 1.02 0.97 0.16 119.74 127.94 3rpb s LYS 581 Ca -0.11 -0.68 0.07 0.00 0.02 0.00 0.00 55.97 55.27 3rpb s LYS 581 Cb -0.16 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 3rpb s LYS 581 CO 0.06 0.38 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.12 3rpb s LEU 582 N -0.08 2.04 -0.17 3.17 1.02 -0.92 -1.08 118.68 122.66 3rpb s LEU 582 Ca -0.02 -0.43 -0.05 0.00 0.02 0.00 0.00 54.13 53.65 3rpb s LEU 582 Cb -0.14 -1.22 0.09 0.00 0.02 0.00 0.00 46.19 44.94 3rpb s LEU 582 CO 0.04 0.29 0.32 0.86 0.02 0.00 0.00 176.35 177.88 3rpb s TRP 583 N -0.54 -0.58 -0.35 0.29 -0.00 -1.08 0.62 118.94 117.31 3rpb s TRP 583 Ca 0.09 1.04 -0.18 0.00 -0.00 0.00 0.00 56.10 57.05 3rpb s TRP 583 Cb -0.09 0.04 -0.01 0.00 -0.00 0.00 0.00 33.47 33.41 3rpb s TRP 583 CO -0.01 -0.47 0.50 -1.17 -0.00 0.00 0.00 176.95 175.80 3rpb s LEU 584 N 2.49 4.35 0.43 5.86 2.96 -1.25 -1.06 118.68 132.46 3rpb s LEU 584 Ca 0.03 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 3rpb s LEU 584 Cb -0.13 -2.56 -0.00 0.00 0.50 0.00 0.00 46.19 44.00 3rpb s LEU 584 CO -0.11 -0.46 0.63 -1.59 -1.32 0.00 0.00 176.35 173.50 3rpb s LYS 585 N 2.35 3.06 -0.51 1.98 -2.85 0.13 -3.59 119.74 120.31 3rpb s LYS 585 Ca 0.18 -0.60 -0.26 0.00 -1.00 0.00 0.00 55.97 54.30 3rpb s LYS 585 Cb -0.16 -2.61 0.03 0.00 -2.06 0.00 0.00 37.83 33.04 3rpb s LYS 585 CO 0.13 -0.21 0.99 -1.25 0.10 0.00 0.00 175.35 175.11 3rpb s PRO 586 N -4.48 3.48 0.00 1.78 0.05 -1.26 -1.79 135.00 132.77 3rpb s PRO 586 Ca 0.48 0.07 0.00 0.00 0.05 0.00 0.00 61.00 61.60 3rpb s PRO 586 Cb -0.10 -3.98 0.00 0.00 0.05 0.00 0.00 34.50 30.47 3rpb s PRO 586 CO 0.37 -1.40 0.00 -0.40 0.05 0.00 0.00 177.00 175.62 3rpb n ASP 587 N 7.53 0.00 0.02 6.66 5.68 -1.24 -4.83 116.55 130.38 3rpb n ASP 587 Ca 0.06 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.19 3rpb n ASP 587 Cb 0.48 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.32 3rpb n ASP 587 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3rpb h MET 588 N 0.00 0.18 0.00 0.11 0.00 -1.94 -3.40 114.93 109.88 3rpb h MET 588 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 59.70 59.40 3rpb h MET 588 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 31.60 31.71 3rpb h MET 588 CO 0.00 0.96 0.00 0.41 0.00 0.00 0.00 176.91 178.28 3rpb n GLY 589 N 1.73 0.36 2.56 8.32 0.00 -1.26 -5.01 105.19 111.89 3rpb n GLY 589 Ca -0.21 0.00 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 -0.48 0.00 0.00 1.61 0.00 -1.26 -4.72 118.16 113.31 3rpb n LYS 590 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 58.31 58.42 3rpb n LYS 590 Cb 0.02 0.00 0.58 0.00 0.00 0.00 0.00 35.03 35.63 3rpb n LYS 590 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3rpb n LYS 591 N 0.00 0.33 -0.32 1.64 2.85 -1.26 -3.75 118.16 117.65 3rpb n LYS 591 Ca 0.00 0.07 0.34 0.00 -1.05 0.00 0.00 58.31 57.67 3rpb n LYS 591 Cb 0.00 -1.50 0.56 0.00 -0.65 0.00 0.00 35.03 33.44 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3rpb h ALA 592 N 3.09 3.15 -2.29 0.58 0.00 -1.89 -3.40 119.26 118.50 3rpb h ALA 592 Ca 0.00 -0.04 -0.51 0.00 0.00 0.00 0.00 54.91 54.35 3rpb h ALA 592 Cb 0.21 0.09 0.17 0.00 0.00 0.00 0.00 17.79 18.26 3rpb h ALA 592 CO 0.00 -1.85 0.26 0.15 0.00 0.00 0.00 179.25 177.80 3rpb s LYS 593 N -4.57 1.46 0.28 0.00 3.01 -1.24 -3.84 119.74 114.84 3rpb s LYS 593 Ca -0.03 1.36 -0.21 0.00 -1.01 0.00 0.00 55.97 56.08 3rpb s LYS 593 Cb 0.17 -1.79 0.02 0.00 -1.01 0.00 0.00 37.83 35.23 3rpb s LYS 593 CO 0.59 -2.26 0.74 -1.01 0.51 0.00 0.00 175.35 173.91 3rpb s HIS 594 N -2.75 -0.16 -0.30 3.18 3.76 0.20 -4.85 115.29 114.36 3rpb s HIS 594 Ca 0.64 -0.30 -0.09 0.00 -0.15 0.00 0.00 55.06 55.16 3rpb s HIS 594 Cb -0.20 0.72 0.14 0.00 1.11 0.00 0.00 32.58 34.34 3rpb s HIS 594 CO 0.57 -1.24 0.66 -1.59 -0.85 0.00 0.00 174.74 172.29 3rpb s LYS 595 N -3.77 0.56 0.65 1.40 0.00 -1.25 -2.16 119.74 115.17 3rpb s LYS 595 Ca 0.11 1.38 -0.11 0.00 0.00 0.00 0.00 55.97 57.35 3rpb s LYS 595 Cb -0.06 0.82 -0.02 0.00 0.00 0.00 0.00 37.83 38.58 3rpb s LYS 595 CO 0.07 -0.23 1.05 0.95 0.00 0.00 0.00 175.35 177.19 3rpb s THR 596 N 2.87 4.33 0.35 3.79 -4.23 0.41 -4.93 115.64 118.24 3rpb s THR 596 Ca -0.03 0.76 -0.23 0.00 -1.18 0.00 0.00 61.69 61.00 3rpb s THR 596 Cb -0.12 -3.71 -0.16 0.00 1.34 0.00 0.00 72.50 69.85 3rpb s THR 596 CO -0.19 -0.99 0.26 0.00 -0.54 0.00 0.00 174.62 173.16 3rpb n GLN 597 N -2.87 0.08 -2.59 3.99 6.02 -1.26 -4.25 117.38 116.50 3rpb n GLN 597 Ca 0.06 0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.66 3rpb n GLN 597 Cb 0.55 -1.07 -0.03 0.00 1.02 0.00 0.00 30.24 30.71 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 -1.47 4.55 -1.21 5.09 -1.09 -1.26 -4.61 121.20 121.19 3rpb s ILE 598 Ca 0.61 1.83 -0.09 0.00 -2.23 0.00 0.00 60.65 60.77 3rpb s ILE 598 Cb -0.71 -4.18 0.21 0.00 -1.58 0.00 0.00 42.46 36.20 3rpb s ILE 598 CO 0.60 0.05 1.66 0.29 -1.23 0.00 0.00 174.94 176.31 3rpb n LYS 599 N 4.72 3.76 -1.58 2.79 4.76 -0.64 -5.00 118.16 126.97 3rpb n LYS 599 Ca 0.09 -3.87 -0.42 0.00 -2.87 0.00 0.00 58.31 51.24 3rpb n LYS 599 Cb 0.48 -2.83 0.01 0.00 -1.84 0.00 0.00 35.03 30.85 3rpb n LYS 599 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3rpb n LYS 600 N 3.55 1.19 -2.74 1.97 4.76 -1.26 -3.31 118.16 122.32 3rpb n LYS 600 Ca 0.35 0.43 -0.20 0.00 -2.87 0.00 0.00 58.31 56.02 3rpb n LYS 600 Cb 0.37 -1.92 0.02 0.00 -1.84 0.00 0.00 35.03 31.65 3rpb n LYS 600 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3rpb n LYS 601 N 0.27 -1.05 -3.65 1.97 4.01 -0.93 -4.86 118.16 113.92 3rpb n LYS 601 Ca 0.10 0.69 -0.02 0.00 -0.51 0.00 0.00 58.31 58.57 3rpb n LYS 601 Cb 0.38 -1.20 -0.06 0.00 -0.51 0.00 0.00 35.03 33.64 3rpb n LYS 601 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3rpb s THR 602 N -1.43 0.00 -0.03 -0.18 -1.32 0.20 -4.86 115.64 108.02 3rpb s THR 602 Ca 0.15 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.64 3rpb s THR 602 Cb -0.02 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.96 3rpb s THR 602 CO 0.52 0.00 0.03 0.18 -2.21 0.00 0.00 174.62 173.14 3rpb n LEU 603 N 1.09 0.03 -2.50 9.08 4.77 -1.26 -4.09 117.00 124.12 3rpb n LEU 603 Ca -0.06 -0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 55.38 3rpb n LEU 603 Cb 0.58 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 3rpb n LEU 603 CO 0.04 0.01 0.07 0.59 -1.33 0.00 0.00 177.39 176.76 3rpb n ASN 604 N -1.14 3.26 -2.94 -1.43 5.03 -1.26 -2.04 115.26 114.75 3rpb n ASN 604 Ca 0.00 -3.12 -0.14 0.00 0.87 0.00 0.00 54.58 52.19 3rpb n ASN 604 Cb 0.02 -0.46 0.11 0.00 -1.02 0.00 0.00 39.78 38.42 3rpb n ASN 604 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 3rpb n PRO 605 N -0.44 -1.34 -3.81 3.52 -0.04 -1.24 -4.84 135.00 126.81 3rpb n PRO 605 Ca 0.26 -0.87 -0.26 0.00 -0.04 0.00 0.00 63.50 62.58 3rpb n PRO 605 Cb 0.80 -0.70 -0.17 0.00 -0.04 0.00 0.00 33.50 33.40 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 -4.24 0.95 -0.12 0.54 -6.30 -1.26 -3.02 118.70 105.25 3rpb s GLU 606 Ca 0.34 -0.26 -0.12 0.00 -2.50 0.00 0.00 54.97 52.43 3rpb s GLU 606 Cb -0.02 -1.65 -0.10 0.00 0.00 0.00 0.00 34.13 32.36 3rpb s GLU 606 CO 0.25 -0.43 0.28 0.74 0.02 0.00 0.00 175.26 176.11 3rpb h PHE 607 N 8.23 0.00 -6.45 5.30 0.04 0.33 -3.47 116.94 120.92 3rpb h PHE 607 Ca -0.21 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.07 3rpb h PHE 607 Cb 1.12 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.21 3rpb h PHE 607 CO 0.41 0.42 -0.85 -1.71 -0.60 0.00 0.00 178.31 175.98 3rpb n ASN 608 N -4.70 -1.64 -4.60 2.17 2.85 0.58 -4.89 115.26 105.03 3rpb n ASN 608 Ca -0.05 -0.94 -0.34 0.00 -0.11 0.00 0.00 54.58 53.13 3rpb n ASN 608 Cb 0.21 -3.28 -0.11 0.00 1.24 0.00 0.00 39.78 37.85 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 -6.54 3.28 -0.29 1.20 0.41 0.25 -4.91 118.70 112.09 3rpb s GLU 609 Ca 0.23 -0.46 -0.06 0.00 -0.41 0.00 0.00 54.97 54.28 3rpb s GLU 609 Cb -0.12 -2.85 0.02 0.00 -1.78 0.00 0.00 34.13 29.39 3rpb s GLU 609 CO 0.88 0.50 0.06 -1.21 -0.49 0.00 0.00 175.26 174.99 3rpb s GLU 610 N -0.34 2.98 0.59 1.61 2.02 -1.26 0.18 118.70 124.48 3rpb s GLU 610 Ca 0.06 -0.92 0.05 0.00 0.02 0.00 0.00 54.97 54.19 3rpb s GLU 610 Cb -0.12 -3.31 0.08 0.00 0.10 0.00 0.00 34.13 30.87 3rpb s GLU 610 CO 0.02 -0.46 0.81 -0.06 0.02 0.00 0.00 175.26 175.59 3rpb s PHE 611 N 1.45 1.92 -0.15 1.61 0.40 0.75 -4.94 117.98 119.02 3rpb s PHE 611 Ca 0.02 -0.44 -0.05 0.00 -0.60 0.00 0.00 56.93 55.86 3rpb s PHE 611 Cb -0.17 -2.54 0.07 0.00 0.51 0.00 0.00 43.02 40.89 3rpb s PHE 611 CO 0.01 -1.14 0.27 0.12 0.70 0.00 0.00 175.22 175.18 3rpb s PHE 612 N -2.76 -0.45 0.03 0.36 5.36 -1.26 -2.72 117.98 116.54 3rpb s PHE 612 Ca 0.61 0.91 -0.01 0.00 -0.96 0.00 0.00 56.93 57.48 3rpb s PHE 612 Cb -0.07 -0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.52 3rpb s PHE 612 CO 0.39 -0.41 0.19 0.71 -1.46 0.00 0.00 175.22 174.64 3rpb s TYR 613 N 2.43 3.52 -0.97 10.12 1.51 0.47 -4.94 117.35 129.49 3rpb s TYR 613 Ca 0.02 0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 56.36 3rpb s TYR 613 Cb -0.13 -1.79 0.30 0.00 -0.11 0.00 0.00 41.96 40.23 3rpb s TYR 613 CO -0.10 0.61 1.32 -0.25 -1.11 0.00 0.00 175.55 176.03 3rpb n ASP 614 N 0.59 5.83 -4.05 2.29 9.92 -1.26 -1.17 116.55 128.70 3rpb n ASP 614 Ca -0.08 -3.43 -0.16 0.00 -0.53 0.00 0.00 54.79 50.59 3rpb n ASP 614 Cb 0.52 -1.13 -0.13 0.00 -0.64 0.00 0.00 41.12 39.74 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 -2.77 0.66 0.38 0.53 1.10 -1.26 -4.99 121.20 114.84 3rpb s ILE 615 Ca 0.33 -0.74 -0.25 0.00 -0.51 0.00 0.00 60.65 59.48 3rpb s ILE 615 Cb 0.08 -0.63 -0.09 0.00 0.15 0.00 0.00 42.46 41.97 3rpb s ILE 615 CO 0.08 -0.09 1.07 -0.54 -2.11 0.00 0.00 174.94 173.35 3rpb s LYS 616 N -0.92 4.23 0.22 3.50 1.02 -1.26 -4.06 119.74 122.48 3rpb s LYS 616 Ca -0.02 1.60 -0.07 0.00 0.02 0.00 0.00 55.97 57.50 3rpb s LYS 616 Cb -0.06 -2.67 0.34 0.00 -0.52 0.00 0.00 37.83 34.91 3rpb s LYS 616 CO 0.00 -0.10 1.76 1.25 -0.92 0.00 0.00 175.35 177.34 3rpb h HIS 617 N 2.75 0.53 0.00 3.18 -0.00 -1.95 0.62 115.15 120.28 3rpb h HIS 617 Ca -0.48 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3rpb h HIS 617 Cb 1.22 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 3rpb h HIS 617 CO 0.58 0.15 0.00 0.66 -0.00 0.00 0.00 177.93 179.31 3rpb h SER 618 N 0.50 0.00 0.00 3.26 4.64 -2.00 -2.14 113.55 117.80 3rpb h SER 618 Ca 0.35 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.32 3rpb h SER 618 Cb 0.43 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.45 3rpb h SER 618 CO -0.31 0.00 -2.30 0.47 -0.87 0.00 0.00 176.83 173.82 3rpb n ASP 619 N -2.88 0.58 -0.05 4.97 9.92 0.72 -4.64 116.55 125.19 3rpb n ASP 619 Ca -0.02 -0.02 -0.01 0.00 -0.53 0.00 0.00 54.79 54.21 3rpb n ASP 619 Cb 0.09 0.80 -0.01 0.00 -0.64 0.00 0.00 41.12 41.36 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 -2.76 -0.12 -0.34 0.64 4.77 0.18 -0.19 117.00 119.18 3rpb n LEU 620 Ca -0.32 0.75 -0.01 0.00 -0.03 0.00 0.00 56.01 56.40 3rpb n LEU 620 Cb 1.09 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.91 3rpb n LEU 620 CO 0.38 -0.44 0.51 0.00 -1.33 0.00 0.00 177.39 176.51 3rpb n ALA 621 N -2.81 -0.14 0.26 -1.18 0.00 -1.25 0.29 120.51 115.68 3rpb n ALA 621 Ca 0.00 0.87 0.16 0.00 0.00 0.00 0.00 53.44 54.46 3rpb n ALA 621 Cb 0.03 -0.37 0.79 0.00 0.00 0.00 0.00 19.45 19.90 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 -7.37 0.00 1.57 -0.86 -2.95 116.57 106.96 3rpb h LYS 622 Ca 0.29 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.58 3rpb h LYS 622 Cb 0.51 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.95 3rpb h LYS 622 CO -0.87 0.00 0.31 0.15 -0.57 0.00 0.00 179.45 178.47 3rpb s LYS 623 N -3.73 1.89 -0.26 3.15 -0.14 0.83 -4.78 119.74 116.70 3rpb s LYS 623 Ca -0.02 0.76 -0.02 0.00 -1.36 0.00 0.00 55.97 55.33 3rpb s LYS 623 Cb 0.09 -1.89 0.12 0.00 -1.68 0.00 0.00 37.83 34.47 3rpb s LYS 623 CO 0.32 -1.79 0.24 -1.12 -0.76 0.00 0.00 175.35 172.24 3rpb s SER 624 N -3.70 1.91 0.53 2.83 0.01 -0.74 -3.45 113.70 111.09 3rpb s SER 624 Ca 0.61 -0.67 -0.16 0.00 1.31 0.00 0.00 55.95 57.04 3rpb s SER 624 Cb -0.16 0.31 -0.07 0.00 0.21 0.00 0.00 66.02 66.31 3rpb s SER 624 CO 0.55 -0.38 1.00 -0.22 0.41 0.00 0.00 173.24 174.60 3rpb s LEU 625 N 2.30 3.59 -0.35 2.44 2.96 0.34 -0.69 118.68 129.26 3rpb s LEU 625 Ca 0.08 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 55.60 3rpb s LEU 625 Cb -0.15 -4.51 0.11 0.00 0.50 0.00 0.00 46.19 42.14 3rpb s LEU 625 CO -0.27 -0.69 0.15 -0.62 -1.32 0.00 0.00 176.35 173.60 3rpb s ASP 626 N -3.06 3.82 -0.82 3.68 2.15 -0.22 0.20 116.67 122.41 3rpb s ASP 626 Ca 0.59 -1.96 -0.18 0.00 0.43 0.00 0.00 52.55 51.44 3rpb s ASP 626 Cb -0.11 -0.86 0.14 0.00 -0.30 0.00 0.00 42.92 41.79 3rpb s ASP 626 CO 0.33 -0.37 0.96 -0.63 -0.17 0.00 0.00 175.17 175.30 3rpb s ILE 627 N 1.23 4.88 -0.10 4.11 1.09 -0.54 -2.62 121.20 129.24 3rpb s ILE 627 Ca 0.13 -1.52 -0.01 0.00 -1.10 0.00 0.00 60.65 58.14 3rpb s ILE 627 Cb -0.20 -4.66 -0.03 0.00 -1.06 0.00 0.00 42.46 36.51 3rpb s ILE 627 CO -0.16 -1.34 -0.04 -0.44 -0.10 0.00 0.00 174.94 172.86 3rpb s SER 628 N 3.35 4.83 -0.22 3.58 0.01 -0.24 -1.47 113.70 123.54 3rpb s SER 628 Ca 0.25 -0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.41 3rpb s SER 628 Cb -0.11 -1.44 -0.04 0.00 0.21 0.00 0.00 66.02 64.64 3rpb s SER 628 CO -0.05 0.30 0.09 -0.69 0.41 0.00 0.00 173.24 173.31 3rpb s VAL 629 N -0.45 4.74 0.08 3.43 1.01 0.25 -0.02 120.40 129.44 3rpb s VAL 629 Ca 0.07 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.11 3rpb s VAL 629 Cb -0.12 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3rpb s VAL 629 CO 0.02 0.38 -0.25 0.26 0.00 0.00 0.00 175.10 175.51 3rpb s TRP 630 N 1.03 2.20 -0.28 5.22 0.52 0.45 -1.51 118.94 126.58 3rpb s TRP 630 Ca 0.05 -0.40 -0.24 0.00 0.02 0.00 0.00 56.10 55.54 3rpb s TRP 630 Cb -0.14 -1.27 -0.00 0.00 -1.15 0.00 0.00 33.47 30.91 3rpb s TRP 630 CO 0.03 0.19 0.79 0.34 0.02 0.00 0.00 176.95 178.33 3rpb s ASP 631 N -1.53 6.71 0.65 2.95 -1.08 0.69 0.04 116.67 125.10 3rpb s ASP 631 Ca 0.11 0.80 -0.11 0.00 -0.52 0.00 0.00 52.55 52.83 3rpb s ASP 631 Cb -0.10 -2.41 -0.02 0.00 -1.46 0.00 0.00 42.92 38.93 3rpb s ASP 631 CO 0.03 -0.56 1.05 -0.47 0.52 0.00 0.00 175.17 175.75 3rpb s TYR 632 N 2.88 3.52 -0.30 -5.34 6.14 0.55 0.83 117.35 125.64 3rpb s TYR 632 Ca 0.33 1.21 -0.09 0.00 0.64 0.00 0.00 57.07 59.15 3rpb s TYR 632 Cb -0.15 -2.84 0.14 0.00 0.42 0.00 0.00 41.96 39.53 3rpb s TYR 632 CO 0.10 -0.86 0.65 -0.51 0.64 0.00 0.00 175.55 175.57 3rpb s ASP 633 N -4.24 -1.17 0.17 4.32 1.01 -1.25 -3.97 116.67 111.55 3rpb s ASP 633 Ca 0.56 1.50 -0.30 0.00 0.71 0.00 0.00 52.55 55.02 3rpb s ASP 633 Cb -0.11 2.29 -0.08 0.00 1.01 0.00 0.00 42.92 46.03 3rpb s ASP 633 CO 0.53 -0.22 1.29 0.27 0.21 0.00 0.00 175.17 177.25 3rpb s ILE 634 N 2.89 3.34 0.00 0.77 -0.00 -1.26 -2.57 121.20 124.38 3rpb s ILE 634 Ca -0.03 1.08 0.00 0.00 -0.00 0.00 0.00 60.65 61.69 3rpb s ILE 634 Cb -0.12 -3.69 0.00 0.00 -0.00 0.00 0.00 42.46 38.65 3rpb s ILE 634 CO -0.19 0.15 0.00 0.61 -0.00 0.00 0.00 174.94 175.51 3rpb n GLY 635 N 2.54 2.93 2.25 6.27 0.00 -1.26 -4.96 105.19 112.97 3rpb n GLY 635 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 0.69 -1.20 1.61 5.02 -1.06 -5.17 118.16 116.06 3rpb n LYS 636 Ca 0.00 -2.32 -0.19 0.00 -2.02 0.00 0.00 58.31 53.79 3rpb n LYS 636 Cb 0.00 1.27 0.13 0.00 -0.02 0.00 0.00 35.03 36.41 3rpb n LYS 636 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3rpb n SER 637 N -1.70 0.06 -4.72 4.39 7.64 -1.26 -4.62 113.62 113.41 3rpb n SER 637 Ca -0.04 -1.30 -0.23 0.00 1.01 0.00 0.00 58.87 58.31 3rpb n SER 637 Cb 0.41 -0.64 0.10 0.00 -1.01 0.00 0.00 64.21 63.07 3rpb n SER 637 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3rpb s ASN 638 N -4.07 4.42 0.02 6.43 2.20 -1.26 -3.90 114.94 118.78 3rpb s ASN 638 Ca 0.48 -0.51 0.00 0.00 -0.94 0.00 0.00 52.86 51.88 3rpb s ASN 638 Cb -0.01 0.15 -0.02 0.00 -2.00 0.00 0.00 41.25 39.36 3rpb s ASN 638 CO 0.33 -1.82 -0.03 -1.81 -2.94 0.00 0.00 177.10 170.84 3rpb s ASP 639 N -4.75 0.23 -0.33 3.54 1.01 0.24 -4.92 116.67 111.69 3rpb s ASP 639 Ca 0.66 -0.48 -0.18 0.00 0.71 0.00 0.00 52.55 53.26 3rpb s ASP 639 Cb -0.05 0.09 -0.01 0.00 1.01 0.00 0.00 42.92 43.97 3rpb s ASP 639 CO 0.44 -0.28 0.53 -0.47 0.21 0.00 0.00 175.17 175.59 3rpb s TYR 640 N -1.39 3.19 -0.20 4.23 6.14 -1.26 0.25 117.35 128.31 3rpb s TYR 640 Ca -0.15 0.29 -0.00 0.00 0.64 0.00 0.00 57.07 57.84 3rpb s TYR 640 Cb -0.10 -2.91 -0.21 0.00 0.42 0.00 0.00 41.96 39.17 3rpb s TYR 640 CO -0.01 -0.50 0.02 -0.89 0.64 0.00 0.00 175.55 174.81 3rpb n ILE 641 N 5.39 1.60 0.00 3.14 5.41 -0.57 -4.86 119.36 129.48 3rpb n ILE 641 Ca -0.04 -0.62 0.00 0.00 1.00 0.00 0.00 62.75 63.09 3rpb n ILE 641 Cb 0.49 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 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 2.13 3.36 0.00 7.39 0.00 -0.79 -4.77 105.19 112.51 3rpb n GLY 642 Ca -0.40 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.52 1.87 3.61 -0.02 0.00 0.39 0.86 105.19 110.39 3rpb n GLY 643 Ca 0.00 -0.76 -0.11 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 -0.11 4.24 -0.40 0.00 -2.07 -1.26 -1.46 119.66 118.60 3rpb s GLN 645 Ca 0.00 0.71 0.04 0.00 -1.82 0.00 0.00 55.36 54.29 3rpb s GLN 645 Cb -0.04 -3.29 0.11 0.00 -1.09 0.00 0.00 33.01 28.70 3rpb s GLN 645 CO -0.02 0.51 0.12 -0.51 -1.32 0.00 0.00 175.29 174.07 3rpb s LEU 646 N -0.64 4.57 -0.03 2.60 1.43 0.52 -4.89 118.68 122.24 3rpb s LEU 646 Ca 0.29 -2.43 -0.09 0.00 -1.03 0.00 0.00 54.13 50.88 3rpb s LEU 646 Cb -0.19 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.43 3rpb s LEU 646 CO 0.18 -0.33 0.20 -0.83 0.23 0.00 0.00 176.35 175.79 3rpb s GLY 647 N 0.52 -0.07 0.22 -3.19 0.00 -1.26 0.13 107.32 103.67 3rpb s GLY 647 Ca 0.13 0.23 0.14 0.00 0.00 0.00 0.00 44.72 45.22 3rpb s GLY 647 CO -0.06 0.10 1.42 4.51 0.00 0.00 0.00 173.10 179.07 3rpb n ILE 648 N 2.00 1.28 0.87 0.90 3.06 -1.11 -0.11 119.36 126.25 3rpb n ILE 648 Ca -0.19 0.67 0.04 0.00 -2.50 0.00 0.00 62.75 60.77 3rpb n ILE 648 Cb 0.57 -1.67 0.13 0.00 0.54 0.00 0.00 39.64 39.21 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 -2.00 1.86 -4.93 9.51 2.88 -1.26 -4.88 113.62 114.80 3rpb n SER 649 Ca -0.01 -2.12 -0.21 0.00 -1.33 0.00 0.00 58.87 55.21 3rpb n SER 649 Cb 0.05 -0.31 0.05 0.00 -0.75 0.00 0.00 64.21 63.24 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 -1.64 4.01 -0.13 -1.46 0.00 0.84 -5.11 121.76 118.27 3rpb s ALA 650 Ca 0.18 -1.49 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 3rpb s ALA 650 Cb 0.11 -1.96 0.04 0.00 0.00 0.00 0.00 23.12 21.31 3rpb s ALA 650 CO 0.10 -0.81 0.33 -1.59 0.00 0.00 0.00 175.76 173.79 3rpb s LYS 651 N -4.76 0.34 0.00 0.00 -2.85 -1.26 -4.60 119.74 106.61 3rpb s LYS 651 Ca 0.59 0.55 0.00 0.00 -1.00 0.00 0.00 55.97 56.11 3rpb s LYS 651 Cb -0.09 0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.74 3rpb s LYS 651 CO 0.39 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.15 3rpb n GLY 652 N 3.55 3.09 0.01 0.59 0.00 -1.26 -4.77 105.19 106.40 3rpb n GLY 652 Ca -0.18 -0.75 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 -1.84 0.00 0.00 0.00 173.32 171.48 3rpb n GLU 653 N 0.00 0.00 -0.33 1.61 0.00 -1.26 -4.95 120.64 115.72 3rpb n GLU 653 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.31 3rpb n GLU 653 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 31.44 31.82 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3rpb h ARG 654 N 0.00 0.64 -0.78 3.44 3.08 -1.90 0.21 114.38 119.07 3rpb h ARG 654 Ca 0.00 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.08 3rpb h ARG 654 Cb 0.00 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 3rpb h ARG 654 CO 0.00 0.42 0.51 1.25 -1.07 0.00 0.00 179.97 181.09 3rpb h LEU 655 N 0.66 0.74 0.48 3.04 5.85 -1.81 0.30 115.31 124.58 3rpb h LEU 655 Ca 0.56 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.26 3rpb h LEU 655 Cb 1.01 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3rpb h LEU 655 CO -0.33 0.48 -0.23 0.07 -0.34 0.00 0.00 178.44 178.09 3rpb h LYS 656 N 0.84 -0.63 0.65 1.25 2.10 -0.95 0.95 116.57 120.78 3rpb h LYS 656 Ca 0.34 0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 59.00 3rpb h LYS 656 Cb 0.24 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 3rpb h LYS 656 CO -0.12 -0.35 -0.33 1.25 -2.00 0.00 0.00 179.45 177.90 3rpb h HIS 657 N -0.79 -0.86 0.00 0.07 2.76 -1.31 -1.58 115.15 113.43 3rpb h HIS 657 Ca -0.07 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 3rpb h HIS 657 Cb 0.56 0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.81 3rpb h HIS 657 CO -0.01 -0.53 0.00 1.87 -1.30 0.00 0.00 177.93 177.96 3rpb n TRP 658 N -5.48 0.00 -0.21 5.26 -0.00 0.07 -2.36 117.44 114.72 3rpb n TRP 658 Ca -0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.31 3rpb n TRP 658 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.63 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 -0.50 -0.22 -0.47 5.87 4.19 0.32 0.14 117.16 126.50 3rpb n TYR 659 Ca 0.00 0.62 0.42 0.00 3.31 0.00 0.00 57.90 62.25 3rpb n TYR 659 Cb 0.00 -0.52 0.78 0.00 0.49 0.00 0.00 39.34 40.08 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 0.01 -0.84 2.98 4.11 -1.29 2.12 114.58 121.66 3rpb h GLU 660 Ca 0.08 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.49 3rpb h GLU 660 Cb 0.20 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3rpb h GLU 660 CO -0.47 0.00 0.44 0.00 0.07 0.00 0.00 179.01 179.05 3rpb h LEU 662 N 1.18 0.19 0.11 0.00 4.07 0.37 -1.57 115.31 119.66 3rpb h LEU 662 Ca 0.29 -0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.99 3rpb h LEU 662 Cb 0.06 -0.05 0.03 0.00 1.08 0.00 0.00 40.66 41.78 3rpb h LEU 662 CO -0.04 0.14 -1.07 0.07 -1.08 0.00 0.00 178.44 176.46 3rpb h LYS 663 N 0.23 0.52 -2.49 1.13 2.10 -1.00 -3.36 116.57 113.70 3rpb h LYS 663 Ca 0.08 -0.71 -0.73 0.00 -2.00 0.00 0.00 60.65 57.29 3rpb h LYS 663 Cb 0.06 0.24 -0.33 0.00 -0.90 0.00 0.00 32.23 31.30 3rpb h LYS 663 CO -0.02 1.31 0.30 0.09 -2.00 0.00 0.00 179.45 179.14 3rpb n ASN 664 N -3.93 5.73 0.00 7.07 4.13 -0.06 -4.88 115.26 123.32 3rpb n ASN 664 Ca -0.13 -3.53 0.00 0.00 1.68 0.00 0.00 54.58 52.60 3rpb n ASN 664 Cb 0.91 -1.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 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 0.65 0.00 -0.44 3.52 5.02 -0.68 -3.34 118.16 122.88 3rpb n LYS 665 Ca 0.33 0.34 0.34 0.00 -2.02 0.00 0.00 58.31 57.29 3rpb n LYS 665 Cb 0.34 -1.15 0.53 0.00 -0.02 0.00 0.00 35.03 34.74 3rpb n LYS 665 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3rpb n ASP 666 N -1.52 0.03 -4.70 4.39 9.92 -1.11 -3.15 116.55 120.41 3rpb n ASP 666 Ca 0.00 0.73 -0.30 0.00 -0.53 0.00 0.00 54.79 54.68 3rpb n ASP 666 Cb 0.00 -0.36 -0.08 0.00 -0.64 0.00 0.00 41.12 40.04 3rpb n ASP 666 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3rpb s LYS 667 N -4.35 2.61 0.92 -1.24 0.00 -1.21 -4.96 119.74 111.51 3rpb s LYS 667 Ca -0.04 -0.81 -0.15 0.00 0.00 0.00 0.00 55.97 54.98 3rpb s LYS 667 Cb 0.19 -2.57 0.17 0.00 0.00 0.00 0.00 37.83 35.61 3rpb s LYS 667 CO 0.59 0.55 1.28 0.15 0.00 0.00 0.00 175.35 177.92 3rpb s LYS 668 N -2.28 0.98 -0.13 1.78 1.02 -1.26 -4.50 119.74 115.35 3rpb s LYS 668 Ca 0.26 -0.26 -0.04 0.00 0.02 0.00 0.00 55.97 55.95 3rpb s LYS 668 Cb -0.12 -1.87 0.06 0.00 -0.52 0.00 0.00 37.83 35.38 3rpb s LYS 668 CO 0.18 -2.21 0.22 0.42 -0.92 0.00 0.00 175.35 173.04 3rpb s ILE 669 N -3.79 -0.34 -0.12 2.17 1.01 0.73 -4.90 121.20 115.96 3rpb s ILE 669 Ca 0.71 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.60 3rpb s ILE 669 Cb -0.06 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 3rpb s ILE 669 CO 0.52 0.07 -0.14 -1.61 0.00 0.00 0.00 174.94 173.79 3rpb s GLU 670 N 2.36 3.29 0.18 2.79 2.02 -1.26 0.20 118.70 128.27 3rpb s GLU 670 Ca 0.03 -0.70 -0.16 0.00 0.02 0.00 0.00 54.97 54.16 3rpb s GLU 670 Cb -0.13 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.54 3rpb s GLU 670 CO -0.08 0.25 0.46 1.03 0.02 0.00 0.00 175.26 176.94 3rpb s ARG 671 N 0.24 1.29 -0.17 1.61 1.81 -0.55 -5.00 118.95 118.19 3rpb s ARG 671 Ca -0.09 -0.89 -0.07 0.00 -1.72 0.00 0.00 55.73 52.96 3rpb s ARG 671 Cb -0.16 0.49 -0.04 0.00 -0.45 0.00 0.00 34.95 34.79 3rpb s ARG 671 CO 0.05 -0.53 0.07 -1.58 -0.68 0.00 0.00 175.30 172.64 3rpb s TRP 672 N -3.88 3.31 -0.13 -0.53 0.52 -1.26 -0.74 118.94 116.23 3rpb s TRP 672 Ca 0.09 0.18 0.01 0.00 0.02 0.00 0.00 56.10 56.40 3rpb s TRP 672 Cb 0.00 -2.04 -0.01 0.00 -1.15 0.00 0.00 33.47 30.27 3rpb s TRP 672 CO -0.04 0.28 -0.15 -1.01 0.02 0.00 0.00 176.95 176.05 3rpb s HIS 673 N 0.05 2.76 -0.14 -1.98 3.76 -0.82 -4.97 115.29 113.95 3rpb s HIS 673 Ca 0.06 -0.77 -0.29 0.00 -0.15 0.00 0.00 55.06 53.91 3rpb s HIS 673 Cb -0.12 -1.83 -0.01 0.00 1.11 0.00 0.00 32.58 31.73 3rpb s HIS 673 CO 0.01 -0.29 1.17 1.14 -0.85 0.00 0.00 174.74 175.92 3rpb s GLN 674 N 0.42 4.29 0.13 1.40 1.03 -1.26 -1.47 119.66 124.20 3rpb s GLN 674 Ca -0.12 1.57 -0.31 0.00 0.04 0.00 0.00 55.36 56.54 3rpb s GLN 674 Cb -0.16 -3.66 -0.09 0.00 0.03 0.00 0.00 33.01 29.13 3rpb s GLN 674 CO 0.06 -0.58 1.58 -0.51 -2.54 0.00 0.00 175.29 173.30 3rpb s LEU 675 N 2.92 4.37 0.26 2.60 1.43 0.01 -4.68 118.68 125.59 3rpb s LEU 675 Ca 0.52 2.56 0.08 0.00 -1.03 0.00 0.00 54.13 56.25 3rpb s LEU 675 Cb -0.21 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3rpb s LEU 675 CO 0.15 -0.83 -0.11 -1.10 0.23 0.00 0.00 176.35 174.69 3rpb s GLN 676 N 1.60 1.50 -0.42 1.70 -0.21 0.78 -4.60 119.66 120.00 3rpb s GLN 676 Ca 0.71 -1.72 -0.10 0.00 0.02 0.00 0.00 55.36 54.27 3rpb s GLN 676 Cb -0.42 -1.24 0.07 0.00 1.00 0.00 0.00 33.01 32.43 3rpb s GLN 676 CO 0.31 0.13 0.27 1.21 -2.12 0.00 0.00 175.29 175.09 3rpb s ASN 677 N -3.41 5.70 0.05 5.90 3.84 -1.26 -0.46 114.94 125.30 3rpb s ASN 677 Ca 0.27 -1.45 -0.01 0.00 0.21 0.00 0.00 52.86 51.88 3rpb s ASN 677 Cb 0.01 -2.01 -0.00 0.00 -0.55 0.00 0.00 41.25 38.70 3rpb s ASN 677 CO 0.11 -0.54 -0.02 1.21 -2.79 0.00 0.00 177.10 175.06 3rpb n GLU 678 N 4.95 0.04 -2.58 0.43 2.13 -1.26 -4.89 120.64 119.46 3rpb n GLU 678 Ca -0.10 0.01 -0.43 0.00 0.66 0.00 0.00 57.16 57.30 3rpb n GLU 678 Cb 0.43 -0.44 -0.00 0.00 0.27 0.00 0.00 31.44 31.70 3rpb n GLU 678 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3rpb s ASN 679 N -5.69 6.78 0.00 4.31 3.84 -1.26 -5.22 114.94 117.70 3rpb s ASN 679 Ca -0.02 -2.29 0.00 0.00 0.21 0.00 0.00 52.86 50.76 3rpb s ASN 679 Cb 0.00 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 3rpb s ASN 679 CO 0.03 -1.23 0.00 1.57 -2.79 0.00 0.00 177.10 174.68