#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqa n PRO 543 N 0.00 0.00 -2.83 1.61 -0.04 -1.26 -4.91 135.00 127.57 2rqa n PRO 543 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2rqa n PRO 543 Cb 0.00 -0.23 -0.06 0.00 -0.04 0.00 0.00 33.50 33.17 2rqa n PRO 543 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2rqa s HIS 544 N -0.05 3.35 -0.93 0.54 3.76 -1.26 -5.01 115.29 115.68 2rqa s HIS 544 Ca 0.00 1.49 -0.02 0.00 -0.15 0.00 0.00 55.06 56.39 2rqa s HIS 544 Cb 0.00 -2.77 0.25 0.00 1.11 0.00 0.00 32.58 31.18 2rqa s HIS 544 CO 0.00 -0.10 0.99 -1.33 -0.85 0.00 0.00 174.74 173.45 2rqa n MET 545 N -0.73 3.19 -4.37 1.40 2.81 -1.26 -5.03 117.12 113.13 2rqa n MET 545 Ca 0.06 -4.53 -0.24 0.00 -1.81 0.00 0.00 57.70 51.18 2rqa n MET 545 Cb 0.54 -2.43 -0.08 0.00 -0.71 0.00 0.00 33.22 30.54 2rqa n MET 545 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 2rqa s GLN 546 N -1.91 2.03 -0.31 0.03 -2.07 -1.26 -5.12 119.66 111.05 2rqa s GLN 546 Ca 0.31 -1.55 0.01 0.00 -1.82 0.00 0.00 55.36 52.31 2rqa s GLN 546 Cb -0.01 -2.00 0.15 0.00 -1.09 0.00 0.00 33.01 30.06 2rqa s GLN 546 CO -0.05 0.36 0.35 -0.06 -1.32 0.00 0.00 175.29 174.57 2rqa s PHE 547 N -2.36 -0.55 0.04 9.60 0.40 -1.26 -4.87 117.98 118.99 2rqa s PHE 547 Ca 0.30 -0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 56.09 2rqa s PHE 547 Cb -0.06 -0.37 -0.05 0.00 0.51 0.00 0.00 43.02 43.05 2rqa s PHE 547 CO 0.18 -0.95 1.17 -1.25 0.70 0.00 0.00 175.22 175.06 2rqa s PRO 548 N 2.14 4.44 0.33 0.24 0.04 -1.26 -4.26 135.00 136.67 2rqa s PRO 548 Ca 0.12 1.72 0.11 0.00 0.04 0.00 0.00 61.00 62.98 2rqa s PRO 548 Cb -0.14 -3.38 0.93 0.00 0.04 0.00 0.00 34.50 31.96 2rqa s PRO 548 CO -0.24 -0.24 1.72 -0.39 0.04 0.00 0.00 177.00 177.88 2rqa h VAL 549 N 4.59 0.49 -0.78 -0.36 -1.51 -1.90 1.15 116.25 117.93 2rqa h VAL 549 Ca -0.41 -0.18 0.08 0.00 -1.23 0.00 0.00 66.70 64.96 2rqa h VAL 549 Cb 1.21 -0.09 -0.05 0.00 -2.13 0.00 0.00 31.29 30.23 2rqa h VAL 549 CO 0.81 0.10 0.51 1.05 -1.23 0.00 0.00 177.57 178.81 2rqa h GLU 550 N 0.53 0.75 0.00 5.19 4.11 -1.91 0.69 114.58 123.94 2rqa h GLU 550 Ca 0.66 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.97 2rqa h GLU 550 Cb 1.32 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2rqa h GLU 550 CO -0.50 0.49 -0.73 0.45 0.07 0.00 0.00 179.01 178.80 2rqa h HIS 551 N 0.77 0.00 -3.26 2.06 3.86 0.75 -3.44 115.15 115.89 2rqa h HIS 551 Ca 0.35 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.97 2rqa h HIS 551 Cb 0.36 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.75 2rqa h HIS 551 CO -0.00 0.32 0.61 0.08 0.86 0.00 0.00 177.93 179.80 2rqa s VAL 552 N -3.08 4.73 0.41 2.45 1.01 0.12 -4.57 120.40 121.48 2rqa s VAL 552 Ca 0.02 1.65 0.07 0.00 0.00 0.00 0.00 61.98 63.73 2rqa s VAL 552 Cb 0.08 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2rqa s VAL 552 CO 0.76 -0.20 0.27 -1.58 0.00 0.00 0.00 175.10 174.34 2rqa s GLN 553 N 3.10 2.36 -0.37 2.72 0.74 -1.24 0.19 119.66 127.15 2rqa s GLN 553 Ca 0.39 -1.71 -0.06 0.00 0.05 0.00 0.00 55.36 54.03 2rqa s GLN 553 Cb -0.14 -2.15 0.07 0.00 1.10 0.00 0.00 33.01 31.88 2rqa s GLN 553 CO 0.09 -0.15 0.16 -0.51 -0.55 0.00 0.00 175.29 174.33 2rqa s LEU 554 N -4.00 4.73 0.35 3.68 1.43 -0.93 -3.66 118.68 120.28 2rqa s LEU 554 Ca 0.44 -1.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.14 2rqa s LEU 554 Cb 0.01 -1.88 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 2rqa s LEU 554 CO 0.25 -0.43 -0.00 -0.76 0.23 0.00 0.00 176.35 175.63 2rqa s LEU 555 N 1.34 2.59 -0.45 1.79 1.02 -1.12 0.78 118.68 124.62 2rqa s LEU 555 Ca 0.01 -1.32 -0.16 0.00 0.02 0.00 0.00 54.13 52.69 2rqa s LEU 555 Cb -0.21 -0.72 0.05 0.00 0.02 0.00 0.00 46.19 45.33 2rqa s LEU 555 CO 0.01 -0.44 0.39 0.00 0.02 0.00 0.00 176.35 176.32 2rqa n ILE 557 N 5.24 -0.08 -0.02 0.00 -5.35 -1.09 0.36 119.36 118.42 2rqa n ILE 557 Ca -0.11 1.32 -0.00 0.00 -0.27 0.00 0.00 62.75 63.69 2rqa n ILE 557 Cb 0.45 -2.18 -0.00 0.00 -1.74 0.00 0.00 39.64 36.17 2rqa n ILE 557 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2rqa h ASN 558 N 0.00 0.00 0.29 7.28 4.21 -1.91 -3.41 115.58 122.03 2rqa h ASN 558 Ca 0.76 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 58.25 2rqa h ASN 558 Cb 2.83 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 40.04 2rqa h ASN 558 CO -0.14 0.19 -0.14 0.00 -1.29 0.00 0.00 177.43 176.05 2rqa n MET 560 N -4.06 -2.99 0.00 0.00 2.81 1.14 -4.85 117.12 109.17 2rqa n MET 560 Ca -0.05 0.46 0.01 0.00 -1.81 0.00 0.00 57.70 56.32 2rqa n MET 560 Cb 0.15 -4.20 -0.01 0.00 -0.71 0.00 0.00 33.22 28.45 2rqa n MET 560 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2rqa n VAL 561 N -2.63 0.00 -0.86 2.03 0.24 -1.26 -4.82 118.33 111.03 2rqa n VAL 561 Ca -0.13 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 2rqa n VAL 561 Cb 0.59 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 2rqa n VAL 561 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rqa n ALA 562 N -0.74 -2.32 0.64 2.33 0.00 -1.26 -4.98 120.51 114.19 2rqa n ALA 562 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 2rqa n ALA 562 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 2rqa n ALA 562 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2rqa n VAL 563 N 0.57 0.00 -1.97 0.00 0.24 0.23 -4.94 118.33 112.47 2rqa n VAL 563 Ca 0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2rqa n VAL 563 Cb 0.00 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.54 2rqa n VAL 563 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rqa n GLY 564 N 1.09 1.67 3.09 7.63 0.00 -0.80 -4.63 105.19 113.24 2rqa n GLY 564 Ca 0.06 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 2rqa n GLY 564 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rqa s HIS 565 N -1.40 0.67 -0.92 1.61 0.09 -1.26 -2.19 115.29 111.89 2rqa s HIS 565 Ca 0.00 -0.69 0.28 0.00 -0.00 0.00 0.00 55.06 54.65 2rqa s HIS 565 Cb 0.00 -0.41 1.06 0.00 -0.00 0.00 0.00 32.58 33.23 2rqa s HIS 565 CO 0.00 -0.15 1.84 0.41 -0.00 0.00 0.00 174.74 176.85 2rqa n GLY 566 N 0.88 -1.54 0.90 -2.22 0.00 0.13 -2.84 105.19 100.51 2rqa n GLY 566 Ca -0.19 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.82 2rqa n GLY 566 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rqa n SER 567 N -1.71 3.07 -0.00 1.61 2.88 -1.21 -4.16 113.62 114.10 2rqa n SER 567 Ca 0.06 -1.89 0.04 0.00 -1.33 0.00 0.00 58.87 55.75 2rqa n SER 567 Cb 0.37 -0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 63.57 2rqa n SER 567 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rqa n ASP 568 N 1.09 1.52 -4.82 -3.46 -0.08 -1.13 -4.99 116.55 104.68 2rqa n ASP 568 Ca 0.15 -0.40 -0.33 0.00 -1.51 0.00 0.00 54.79 52.70 2rqa n ASP 568 Cb 0.50 1.14 -0.07 0.00 2.34 0.00 0.00 41.12 45.03 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 2rqa s LEU 569 N -2.81 3.92 0.06 -2.67 0.05 -1.15 -3.99 118.68 112.08 2rqa s LEU 569 Ca 0.01 1.70 0.04 0.00 0.05 0.00 0.00 54.13 55.93 2rqa s LEU 569 Cb 0.05 -4.54 -0.03 0.00 -2.05 0.00 0.00 46.19 39.62 2rqa s LEU 569 CO 0.30 -0.40 -0.12 -0.13 -0.55 0.00 0.00 176.35 175.45 2rqa s ARG 570 N -3.21 0.72 0.13 1.48 0.52 -0.57 -4.72 118.95 113.30 2rqa s ARG 570 Ca 0.62 -0.87 0.02 0.00 -0.52 0.00 0.00 55.73 54.99 2rqa s ARG 570 Cb -0.10 -0.65 -0.04 0.00 0.52 0.00 0.00 34.95 34.69 2rqa s ARG 570 CO 0.14 0.14 0.22 -1.59 0.02 0.00 0.00 175.30 174.23 2rqa s LYS 571 N -1.63 3.28 -0.38 3.54 -2.85 -1.21 -0.94 119.74 119.56 2rqa s LYS 571 Ca -0.04 -0.63 -0.04 0.00 -1.00 0.00 0.00 55.97 54.25 2rqa s LYS 571 Cb -0.10 -2.89 0.08 0.00 -2.06 0.00 0.00 37.83 32.86 2rqa s LYS 571 CO 0.02 0.54 0.16 0.08 0.10 0.00 0.00 175.35 176.24 2rqa s VAL 572 N -1.66 3.48 -1.22 1.79 1.01 -1.25 0.11 120.40 122.65 2rqa s VAL 572 Ca 0.33 -1.68 -0.13 0.00 0.00 0.00 0.00 61.98 60.50 2rqa s VAL 572 Cb -0.11 -3.20 0.13 0.00 0.00 0.00 0.00 36.38 33.19 2rqa s VAL 572 CO 0.27 -0.47 0.42 -1.84 0.00 0.00 0.00 175.10 173.48 2rqa n GLU 573 N 4.69 -2.15 -4.21 2.72 0.28 -1.26 0.43 120.64 121.13 2rqa n GLU 573 Ca -0.07 0.20 -0.33 0.00 -0.16 0.00 0.00 57.16 56.80 2rqa n GLU 573 Cb 0.42 -4.80 -0.05 0.00 1.43 0.00 0.00 31.44 28.44 2rqa n GLU 573 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2rqa n GLY 574 N -0.96 -0.28 0.04 -1.84 0.00 -1.26 -4.81 105.19 96.08 2rqa n GLY 574 Ca 0.05 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 2rqa n GLY 574 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2rqa n THR 575 N -4.40 0.53 -3.15 2.61 -1.04 0.17 -5.00 114.28 104.00 2rqa n THR 575 Ca -0.14 -0.25 0.05 0.00 -2.04 0.00 0.00 64.05 61.66 2rqa n THR 575 Cb 0.60 -0.82 -0.01 0.00 -1.82 0.00 0.00 70.33 68.28 2rqa n THR 575 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2rqa s HIS 576 N -2.18 -1.02 0.59 -1.42 3.76 -1.24 -5.04 115.29 108.73 2rqa s HIS 576 Ca -0.09 0.87 -0.18 0.00 -0.15 0.00 0.00 55.06 55.52 2rqa s HIS 576 Cb 0.03 0.28 -0.11 0.00 1.11 0.00 0.00 32.58 33.89 2rqa s HIS 576 CO 0.26 -0.57 0.15 0.72 -0.85 0.00 0.00 174.74 174.44 2rqa n HIS 577 N 5.38 -2.00 -3.27 1.40 8.25 -1.26 -3.96 115.22 119.77 2rqa n HIS 577 Ca 0.00 0.40 -0.04 0.00 -0.26 0.00 0.00 57.72 57.83 2rqa n HIS 577 Cb 0.54 -1.79 -0.05 0.00 1.12 0.00 0.00 29.99 29.81 2rqa n HIS 577 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2rqa s VAL 578 N -1.89 -0.77 -0.26 1.59 -7.23 -0.12 -4.31 120.40 107.42 2rqa s VAL 578 Ca 0.61 -0.07 -0.25 0.00 -1.81 0.00 0.00 61.98 60.46 2rqa s VAL 578 Cb -0.44 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 35.60 2rqa s VAL 578 CO 0.62 -0.09 0.88 0.21 -0.31 0.00 0.00 175.10 176.41 2rqa s ASN 579 N 2.67 6.85 0.10 4.85 3.04 -1.11 -1.50 114.94 129.83 2rqa s ASN 579 Ca 0.15 1.02 -0.15 0.00 0.04 0.00 0.00 52.86 53.92 2rqa s ASN 579 Cb -0.15 -2.46 -0.07 0.00 -1.54 0.00 0.00 41.25 37.04 2rqa s ASN 579 CO -0.20 -0.60 0.51 -0.69 -3.04 0.00 0.00 177.10 173.08 2rqa s VAL 580 N 3.01 4.89 0.00 -5.21 1.01 -1.26 -3.88 120.40 118.96 2rqa s VAL 580 Ca 0.37 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.22 2rqa s VAL 580 Cb -0.15 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2rqa s VAL 580 CO 0.09 0.38 0.00 0.59 0.00 0.00 0.00 175.10 176.16 2rqa n ASN 581 N 1.19 0.00 -0.04 3.32 3.02 -1.26 -4.64 115.26 116.85 2rqa n ASN 581 Ca -0.08 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.33 2rqa n ASN 581 Cb 0.52 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.57 2rqa n ASN 581 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2rqa h PRO 582 N 0.00 0.07 0.00 3.52 0.13 -1.97 -3.07 132.00 130.68 2rqa h PRO 582 Ca 0.00 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2rqa h PRO 582 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2rqa h PRO 582 CO 0.00 0.80 0.00 -0.91 -0.23 0.00 0.00 178.00 177.66 2rqa h ASN 583 N -0.64 0.00 -0.64 1.44 2.35 -1.97 -1.15 115.58 114.97 2rqa h ASN 583 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2rqa h ASN 583 Cb 0.83 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 2rqa h ASN 583 CO 0.02 0.00 0.37 0.15 -1.65 0.00 0.00 177.43 176.32 2rqa h PHE 584 N 0.00 0.87 -0.34 1.19 3.57 -1.79 -0.90 116.94 119.54 2rqa h PHE 584 Ca 0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 2rqa h PHE 584 Cb 0.02 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 2rqa h PHE 584 CO 0.00 0.60 0.25 1.03 -2.23 0.00 0.00 178.31 177.96 2rqa h SER 585 N 0.91 0.00 1.08 0.41 0.87 -1.35 0.70 113.55 116.17 2rqa h SER 585 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2rqa h SER 585 Cb -0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2rqa h SER 585 CO -0.04 0.00 -0.61 0.78 -0.53 0.00 0.00 176.83 176.43 2rqa h ASN 586 N 0.00 0.00 0.53 6.23 2.35 -1.35 -3.24 115.58 120.10 2rqa h ASN 586 Ca 0.16 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2rqa h ASN 586 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 2rqa h ASN 586 CO -0.00 0.06 -0.48 -1.22 -1.65 0.00 0.00 177.43 174.14 2rqa n TYR 587 N -2.39 0.00 -3.84 1.19 4.02 0.22 -4.88 117.16 111.48 2rqa n TYR 587 Ca 0.03 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.82 2rqa n TYR 587 Cb 0.48 -0.27 -0.08 0.00 -0.02 0.00 0.00 39.34 39.46 2rqa n TYR 587 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2rqa s TYR 588 N -3.00 0.10 -0.09 -0.72 -0.85 0.19 0.28 117.35 113.25 2rqa s TYR 588 Ca 0.11 -0.43 0.03 0.00 -0.52 0.00 0.00 57.07 56.26 2rqa s TYR 588 Cb 0.18 -0.04 0.01 0.00 0.38 0.00 0.00 41.96 42.49 2rqa s TYR 588 CO 0.69 -0.50 -0.19 -0.80 -1.52 0.00 0.00 175.55 173.23 2rqa s ASN 589 N -2.52 2.56 0.20 -0.18 0.02 -0.85 -4.65 114.94 109.52 2rqa s ASN 589 Ca 0.01 -0.46 -0.30 0.00 -1.02 0.00 0.00 52.86 51.09 2rqa s ASN 589 Cb 0.02 -1.17 -0.08 0.00 0.02 0.00 0.00 41.25 40.04 2rqa s ASN 589 CO -0.08 0.10 1.07 -0.69 0.02 0.00 0.00 177.10 177.51 2rqa s VAL 590 N 0.54 3.88 1.24 1.60 1.01 -1.26 -2.70 120.40 124.71 2rqa s VAL 590 Ca -0.16 1.70 -0.18 0.00 0.00 0.00 0.00 61.98 63.34 2rqa s VAL 590 Cb -0.17 -4.08 0.26 0.00 0.00 0.00 0.00 36.38 32.39 2rqa s VAL 590 CO 0.06 0.33 0.62 -0.24 0.00 0.00 0.00 175.10 175.86 2rqa n SER 591 N 2.06 -2.91 0.10 3.32 2.88 0.13 -4.91 113.62 114.28 2rqa n SER 591 Ca 0.01 -0.43 -0.23 0.00 -1.33 0.00 0.00 58.87 56.89 2rqa n SER 591 Cb 0.46 -1.02 -0.15 0.00 -0.75 0.00 0.00 64.21 62.75 2rqa n SER 591 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2rqa h ARG 592 N -2.88 0.44 -6.74 -1.46 3.08 -1.95 -3.44 114.38 101.43 2rqa h ARG 592 Ca -0.47 -0.75 -0.56 0.00 0.07 0.00 0.00 59.98 58.27 2rqa h ARG 592 Cb 1.24 0.28 0.18 0.00 0.08 0.00 0.00 29.97 31.74 2rqa h ARG 592 CO 0.33 1.36 -0.20 -0.25 -1.07 0.00 0.00 179.97 180.14 2rqa n ASP 593 N -3.78 -0.49 0.00 7.04 8.00 -1.26 -4.99 116.55 121.07 2rqa n ASP 593 Ca -0.19 0.66 0.00 0.00 0.71 0.00 0.00 54.79 55.96 2rqa n ASP 593 Cb 1.03 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 2rqa n ASP 593 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2rqa n PRO 594 N -0.99 0.00 -4.15 -0.24 -0.04 -1.26 -4.73 135.00 123.59 2rqa n PRO 594 Ca 0.12 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.23 2rqa n PRO 594 Cb 0.49 -0.14 -0.11 0.00 -0.04 0.00 0.00 33.50 33.70 2rqa n PRO 594 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2rqa s VAL 595 N -0.01 4.36 -0.48 0.52 1.01 -1.26 -4.14 120.40 120.41 2rqa s VAL 595 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2rqa s VAL 595 Cb 0.00 -2.95 0.19 0.00 0.00 0.00 0.00 36.38 33.62 2rqa s VAL 595 CO 0.00 0.47 0.42 0.52 0.00 0.00 0.00 175.10 176.50 2rqa n VAL 596 N 3.65 -0.37 -3.82 2.92 0.31 -1.26 -5.08 118.33 114.66 2rqa n VAL 596 Ca -0.17 -3.90 -0.12 0.00 -0.01 0.00 0.00 64.34 60.14 2rqa n VAL 596 Cb 0.52 -1.83 -0.12 0.00 -0.91 0.00 0.00 33.84 31.50 2rqa n VAL 596 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2rqa s ILE 597 N -0.56 0.01 0.21 2.52 1.01 -1.26 -4.96 121.20 118.17 2rqa s ILE 597 Ca 0.32 -0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.72 2rqa s ILE 597 Cb 0.05 -0.24 0.21 0.00 0.01 0.00 0.00 42.46 42.48 2rqa s ILE 597 CO -0.17 -0.04 1.58 -1.13 0.00 0.00 0.00 174.94 175.18 2rqa h ASN 598 N 5.74 -1.15 -4.25 3.58 -0.73 -2.07 -3.41 115.58 113.28 2rqa h ASN 598 Ca -0.26 0.26 -0.16 0.00 1.87 0.00 0.00 56.30 58.01 2rqa h ASN 598 Cb 1.20 0.62 -0.24 0.00 0.27 0.00 0.00 38.32 40.17 2rqa h ASN 598 CO 0.41 -0.29 -0.45 -0.75 -0.37 0.00 0.00 177.43 175.98 2rqa s LYS 599 N -6.04 0.36 0.13 6.67 2.36 -1.26 -5.14 119.74 116.82 2rqa s LYS 599 Ca -0.14 0.06 -0.28 0.00 -2.55 0.00 0.00 55.97 53.05 2rqa s LYS 599 Cb 0.19 0.16 -0.07 0.00 -1.05 0.00 0.00 37.83 37.07 2rqa s LYS 599 CO 0.71 -0.07 0.90 0.08 1.55 0.00 0.00 175.35 178.52 2rqa s VAL 600 N -0.44 4.45 0.39 4.02 1.01 -1.26 -5.03 120.40 123.53 2rqa s VAL 600 Ca -0.05 1.95 0.08 0.00 0.00 0.00 0.00 61.98 63.95 2rqa s VAL 600 Cb -0.04 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 2rqa s VAL 600 CO 0.01 0.38 0.32 -0.36 0.00 0.00 0.00 175.10 175.45 2rqa s PHE 601 N -0.35 2.76 -0.16 5.22 0.40 -1.26 -5.05 117.98 119.53 2rqa s PHE 601 Ca 0.43 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 56.20 2rqa s PHE 601 Cb -0.23 -2.00 -0.23 0.00 0.51 0.00 0.00 43.02 41.07 2rqa s PHE 601 CO 0.28 0.03 0.26 1.17 0.70 0.00 0.00 175.22 177.66 2rqa n LYS 602 N -1.44 0.68 -0.44 0.44 0.00 -1.26 -4.06 118.16 112.07 2rqa n LYS 602 Ca 0.01 0.38 0.38 0.00 0.00 0.00 0.00 58.31 59.09 2rqa n LYS 602 Cb 0.61 -1.71 0.66 0.00 0.00 0.00 0.00 35.03 34.59 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2rqa h ASP 603 N -0.39 0.23 -5.12 3.14 5.19 -1.99 -3.42 116.42 114.07 2rqa h ASP 603 Ca -0.41 0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.12 2rqa h ASP 603 Cb 1.73 0.18 -0.03 0.00 0.18 0.00 0.00 39.33 41.40 2rqa h ASP 603 CO -0.05 -0.30 0.15 -1.66 -3.12 0.00 0.00 179.24 174.26 2rqa s TRP 604 N -5.32 0.25 0.14 4.55 -2.14 -1.26 -4.80 118.94 110.36 2rqa s TRP 604 Ca -0.08 -0.78 0.09 0.00 2.66 0.00 0.00 56.10 57.99 2rqa s TRP 604 Cb 0.32 0.59 -0.04 0.00 -3.10 0.00 0.00 33.47 31.24 2rqa s TRP 604 CO 0.82 -1.38 -0.18 -1.59 -2.66 0.00 0.00 176.95 171.95 2rqa s LYS 605 N -2.89 1.75 0.01 3.25 0.00 -0.25 -4.00 119.74 117.60 2rqa s LYS 605 Ca 0.18 -1.25 -0.30 0.00 0.00 0.00 0.00 55.97 54.59 2rqa s LYS 605 Cb -0.04 -2.06 -0.04 0.00 0.00 0.00 0.00 37.83 35.68 2rqa s LYS 605 CO 0.12 0.46 1.19 -1.25 0.00 0.00 0.00 175.35 175.87 2rqa s PRO 606 N -2.30 4.40 0.00 1.78 0.04 -1.26 -1.32 135.00 136.34 2rqa s PRO 606 Ca 0.19 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2rqa s PRO 606 Cb -0.10 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2rqa s PRO 606 CO 0.10 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.23 2rqa n GLY 607 N 3.27 0.46 3.10 0.56 0.00 0.47 -4.75 105.19 108.30 2rqa n GLY 607 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 2rqa n GLY 607 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rqa s GLY 608 N 0.00 0.64 0.03 -0.02 0.00 -1.21 -4.07 107.32 102.68 2rqa s GLY 608 Ca 0.00 -0.79 -0.35 0.00 0.00 0.00 0.00 44.72 43.59 2rqa s GLY 608 CO 0.00 -0.81 1.68 -0.62 0.00 0.00 0.00 173.10 173.35 2rqa n VAL 609 N 1.66 0.24 -3.42 1.40 0.31 -1.26 -0.11 118.33 117.14 2rqa n VAL 609 Ca -0.20 -0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 63.73 2rqa n VAL 609 Cb 0.55 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.85 2rqa n VAL 609 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2rqa s ILE 610 N 2.22 4.92 -0.02 2.52 1.01 -0.70 0.18 121.20 131.33 2rqa s ILE 610 Ca 0.86 0.73 0.00 0.00 0.00 0.00 0.00 60.65 62.24 2rqa s ILE 610 Cb -0.73 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.05 2rqa s ILE 610 CO 0.46 0.26 0.01 -0.94 0.00 0.00 0.00 174.94 174.73 2rqa s SER 611 N -1.72 0.23 -0.30 3.58 1.04 -1.10 -2.60 113.70 112.84 2rqa s SER 611 Ca 0.36 -0.00 -0.28 0.00 0.48 0.00 0.00 55.95 56.52 2rqa s SER 611 Cb -0.15 -0.12 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 2rqa s SER 611 CO 0.19 -0.09 2.17 0.00 0.98 0.00 0.00 173.24 176.49 2rqa h ARG 613 N 15.51 0.33 -0.86 0.00 2.43 -0.50 1.58 114.38 132.87 2rqa h ARG 613 Ca -0.36 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 58.77 2rqa h ARG 613 Cb 1.23 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.69 2rqa h ARG 613 CO 1.02 0.55 0.53 -0.91 -1.51 0.00 0.00 179.97 179.64 2rqa h ASN 614 N 0.30 0.82 0.00 -3.80 2.35 -1.87 -3.41 115.58 109.96 2rqa h ASN 614 Ca 0.05 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2rqa h ASN 614 Cb 0.58 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2rqa h ASN 614 CO 0.04 0.51 0.00 0.00 -1.65 0.00 0.00 177.43 176.33 2rqa n GLY 616 N 2.87 0.21 3.36 0.00 0.00 0.54 -4.94 105.19 107.23 2rqa n GLY 616 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2rqa n GLY 616 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rqa n GLU 617 N 0.00 0.18 -1.72 1.61 2.13 -1.26 -3.43 120.64 118.15 2rqa n GLU 617 Ca 0.00 0.04 -0.42 0.00 0.66 0.00 0.00 57.16 57.44 2rqa n GLU 617 Cb 0.00 -1.69 -0.00 0.00 0.27 0.00 0.00 31.44 30.02 2rqa n GLU 617 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2rqa n VAL 618 N 6.94 2.15 -0.11 6.31 0.31 -1.26 -2.55 118.33 130.11 2rqa n VAL 618 Ca 0.56 -0.50 -0.21 0.00 -0.01 0.00 0.00 64.34 64.18 2rqa n VAL 618 Cb 0.04 -1.66 -0.12 0.00 -0.91 0.00 0.00 33.84 31.19 2rqa n VAL 618 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2rqa n TRP 619 N 0.22 0.24 0.00 3.52 8.01 -1.07 -4.88 117.44 123.47 2rqa n TRP 619 Ca 0.04 0.06 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 2rqa n TRP 619 Cb 0.38 -1.03 0.00 0.00 -2.01 0.00 0.00 31.31 28.65 2rqa n TRP 619 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2rqa n GLY 620 N 1.97 -0.95 3.31 6.99 0.00 -1.24 -3.38 105.19 111.89 2rqa n GLY 620 Ca -0.45 0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2rqa n GLY 620 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2rqa s LEU 621 N 0.00 0.46 0.03 0.99 -0.00 -1.20 -1.72 118.68 117.24 2rqa s LEU 621 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 54.13 53.90 2rqa s LEU 621 Cb 0.00 1.68 -0.05 0.00 -0.00 0.00 0.00 46.19 47.82 2rqa s LEU 621 CO 0.00 -0.64 0.69 -1.58 -0.00 0.00 0.00 176.35 174.81 2rqa s GLN 622 N -2.37 4.41 -0.15 1.48 0.74 0.84 -1.88 119.66 122.73 2rqa s GLN 622 Ca -0.06 0.91 -0.00 0.00 0.05 0.00 0.00 55.36 56.26 2rqa s GLN 622 Cb -0.01 -3.35 -0.01 0.00 1.10 0.00 0.00 33.01 30.74 2rqa s GLN 622 CO -0.02 0.34 -0.13 -1.64 -0.55 0.00 0.00 175.29 173.28 2rqa s MET 623 N -0.16 3.28 -0.37 1.67 -1.94 0.60 0.18 119.30 122.57 2rqa s MET 623 Ca 0.35 -0.72 -0.12 0.00 -1.71 0.00 0.00 55.69 53.49 2rqa s MET 623 Cb -0.19 -2.67 0.01 0.00 2.01 0.00 0.00 34.83 33.99 2rqa s MET 623 CO 0.20 0.05 0.23 0.42 -0.01 0.00 0.00 175.02 175.91 2rqa s ILE 624 N 0.75 4.90 -0.33 2.53 1.09 -0.44 -1.13 121.20 128.57 2rqa s ILE 624 Ca -0.06 -0.60 -0.03 0.00 -1.10 0.00 0.00 60.65 58.86 2rqa s ILE 624 Cb -0.15 -3.65 0.05 0.00 -1.06 0.00 0.00 42.46 37.65 2rqa s ILE 624 CO 0.01 -0.15 0.06 -0.47 -0.10 0.00 0.00 174.94 174.29 2rqa s TYR 625 N 1.63 3.30 -1.58 3.97 5.04 -0.99 -1.09 117.35 127.63 2rqa s TYR 625 Ca 0.04 -1.79 0.00 0.00 -2.44 0.00 0.00 57.07 52.88 2rqa s TYR 625 Cb -0.18 -2.31 0.00 0.00 0.35 0.00 0.00 41.96 39.82 2rqa s TYR 625 CO 0.08 -0.80 0.00 1.63 -1.34 0.00 0.00 175.55 175.12 2rqa n LYS 626 N 4.68 -1.09 -1.65 4.97 4.76 -1.26 -2.12 118.16 126.45 2rqa n LYS 626 Ca -0.12 1.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.32 2rqa n LYS 626 Cb 0.43 -5.18 0.00 0.00 -1.84 0.00 0.00 35.03 28.45 2rqa n LYS 626 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2rqa n SER 627 N -0.55 -1.34 -3.97 4.39 3.41 -1.26 -5.07 113.62 109.24 2rqa n SER 627 Ca -0.16 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.15 2rqa n SER 627 Cb 0.52 -0.33 -0.15 0.00 -0.26 0.00 0.00 64.21 63.98 2rqa n SER 627 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2rqa s VAL 628 N -2.65 1.65 -0.61 -3.33 1.01 -0.90 -5.06 120.40 110.50 2rqa s VAL 628 Ca 0.00 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.44 2rqa s VAL 628 Cb 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2rqa s VAL 628 CO 0.00 -0.07 1.98 -0.54 0.00 0.00 0.00 175.10 176.47 2rqa s LYS 629 N 1.34 2.50 -0.25 2.72 -0.14 -1.26 -2.35 119.74 122.31 2rqa s LYS 629 Ca -0.06 0.70 0.02 0.00 -1.36 0.00 0.00 55.97 55.27 2rqa s LYS 629 Cb -0.19 -4.48 0.05 0.00 -1.68 0.00 0.00 37.83 31.54 2rqa s LYS 629 CO -0.06 -2.91 -0.12 -0.51 -0.76 0.00 0.00 175.35 170.99 2rqa s LEU 630 N 9.84 3.23 -0.02 3.17 1.43 -0.29 -4.74 118.68 131.31 2rqa s LEU 630 Ca 0.73 -1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 2rqa s LEU 630 Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 2rqa s LEU 630 CO 0.20 -0.16 1.20 -2.16 0.23 0.00 0.00 176.35 175.67 2rqa s PRO 631 N 1.14 4.37 -0.53 1.29 0.04 -1.25 -0.29 135.00 139.77 2rqa s PRO 631 Ca -0.06 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 2rqa s PRO 631 Cb -0.19 -3.50 0.10 0.00 0.04 0.00 0.00 34.50 30.95 2rqa s PRO 631 CO -0.06 -0.39 0.53 0.08 0.04 0.00 0.00 177.00 177.19 2rqa s VAL 632 N 1.91 5.10 0.44 -0.36 1.01 -0.79 -2.76 120.40 124.94 2rqa s VAL 632 Ca 0.57 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 61.46 2rqa s VAL 632 Cb -0.26 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.81 2rqa s VAL 632 CO 0.24 -0.84 0.50 -0.76 0.00 0.00 0.00 175.10 174.24 2rqa s LEU 633 N 1.96 3.44 0.00 3.92 2.01 -1.26 -3.22 118.68 125.53 2rqa s LEU 633 Ca 0.06 -0.64 0.05 0.00 0.01 0.00 0.00 54.13 53.61 2rqa s LEU 633 Cb -0.26 -2.23 0.08 0.00 0.01 0.00 0.00 46.19 43.79 2rqa s LEU 633 CO 0.06 -0.79 0.63 0.29 1.01 0.00 0.00 176.35 177.55 2rqa n LYS 634 N -1.76 0.49 -0.00 1.70 5.02 -1.22 -4.79 118.16 117.61 2rqa n LYS 634 Ca 0.06 -2.16 0.08 0.00 -2.02 0.00 0.00 58.31 54.27 2rqa n LYS 634 Cb 0.61 -0.28 -0.10 0.00 -0.02 0.00 0.00 35.03 35.24 2rqa n LYS 634 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2rqa n VAL 635 N -2.10 0.00 0.02 -0.18 3.14 -1.26 -3.92 118.33 114.02 2rqa n VAL 635 Ca 0.12 -0.11 0.04 0.00 -2.96 0.00 0.00 64.34 61.43 2rqa n VAL 635 Cb 0.43 0.98 -0.10 0.00 -1.06 0.00 0.00 33.84 34.09 2rqa n VAL 635 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2rqa n ARG 636 N -1.41 0.64 0.00 1.45 1.85 -0.63 -3.63 116.66 114.93 2rqa n ARG 636 Ca 0.03 0.05 0.12 0.00 -1.00 0.00 0.00 57.85 57.05 2rqa n ARG 636 Cb 0.27 -1.69 0.22 0.00 -1.05 0.00 0.00 32.46 30.20 2rqa n ARG 636 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2rqa n SER 637 N -2.65 0.55 -4.30 2.89 3.41 -1.26 -4.74 113.62 107.51 2rqa n SER 637 Ca -0.10 -0.32 -0.34 0.00 -0.26 0.00 0.00 58.87 57.86 2rqa n SER 637 Cb 0.75 0.32 -0.15 0.00 -0.26 0.00 0.00 64.21 64.88 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2rqa s MET 638 N -3.00 3.31 -0.19 4.33 -1.94 -1.25 -2.67 119.30 117.89 2rqa s MET 638 Ca 0.11 -0.70 -0.18 0.00 -1.71 0.00 0.00 55.69 53.21 2rqa s MET 638 Cb 0.17 -2.74 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 2rqa s MET 638 CO 0.72 0.01 0.52 -1.17 -0.01 0.00 0.00 175.02 175.08 2rqa s LEU 639 N 0.88 4.16 -0.64 -0.03 2.96 0.15 -4.72 118.68 121.44 2rqa s LEU 639 Ca -0.03 0.69 -0.22 0.00 -0.22 0.00 0.00 54.13 54.35 2rqa s LEU 639 Cb -0.15 -2.71 0.07 0.00 0.50 0.00 0.00 46.19 43.90 2rqa s LEU 639 CO -0.00 -0.16 0.93 -0.76 -1.32 0.00 0.00 176.35 175.04 2rqa s LEU 640 N 1.53 4.44 0.05 -0.68 1.43 -0.26 -2.81 118.68 122.39 2rqa s LEU 640 Ca 0.24 -0.94 -0.31 0.00 -1.03 0.00 0.00 54.13 52.10 2rqa s LEU 640 Cb -0.15 -2.46 -0.06 0.00 0.03 0.00 0.00 46.19 43.55 2rqa s LEU 640 CO 0.10 -1.37 1.24 -1.61 0.23 0.00 0.00 176.35 174.93 2rqa s GLU 641 N 3.91 4.40 0.07 1.70 2.02 -1.24 -0.44 118.70 129.11 2rqa s GLU 641 Ca 0.22 1.81 -0.03 0.00 0.02 0.00 0.00 54.97 56.99 2rqa s GLU 641 Cb -0.17 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 2rqa s GLU 641 CO 0.11 -0.33 0.04 0.95 0.02 0.00 0.00 175.26 176.05 2rqa s THR 642 N 1.32 0.19 -2.00 3.63 -4.23 -1.26 -3.69 115.64 109.59 2rqa s THR 642 Ca 0.59 -1.67 0.18 0.00 -1.18 0.00 0.00 61.69 59.61 2rqa s THR 642 Cb -0.30 -1.54 0.50 0.00 1.34 0.00 0.00 72.50 72.50 2rqa s THR 642 CO 0.28 -0.85 1.52 -0.81 -0.54 0.00 0.00 174.62 174.22 2rqa n PRO 643 N 0.04 0.75 -0.01 3.99 -0.04 -1.26 -1.90 135.00 136.57 2rqa n PRO 643 Ca -0.13 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.37 2rqa n PRO 643 Cb 0.62 -1.36 0.04 0.00 -0.04 0.00 0.00 33.50 32.75 2rqa n PRO 643 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2rqa n GLN 644 N -0.86 0.23 0.00 0.54 6.02 -1.26 -5.05 117.38 116.99 2rqa n GLN 644 Ca 0.13 -1.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.11 2rqa n GLN 644 Cb 0.06 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2rqa n GLN 644 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rqa n GLY 645 N 0.44 3.00 3.05 1.08 0.00 -0.80 -5.01 105.19 106.95 2rqa n GLY 645 Ca 0.05 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 2rqa n GLY 645 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rqa n ARG 646 N 0.97 0.00 -4.47 1.61 1.74 -1.26 -4.44 116.66 110.82 2rqa n ARG 646 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 2rqa n ARG 646 Cb 0.00 -0.93 -0.17 0.00 -1.02 0.00 0.00 32.46 30.34 2rqa n ARG 646 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rqa s ILE 647 N -1.76 0.98 -0.24 0.55 1.01 0.41 -4.92 121.20 117.24 2rqa s ILE 647 Ca 0.54 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.82 2rqa s ILE 647 Cb -0.51 -0.92 0.06 0.00 0.01 0.00 0.00 42.46 41.10 2rqa s ILE 647 CO 0.61 0.32 -0.07 -1.58 0.00 0.00 0.00 174.94 174.22 2rqa s GLN 648 N 0.74 1.74 0.36 2.79 -0.44 -1.26 -1.10 119.66 122.50 2rqa s GLN 648 Ca -0.13 -1.04 0.06 0.00 -2.50 0.00 0.00 55.36 51.75 2rqa s GLN 648 Cb -0.15 -2.63 -0.07 0.00 -1.64 0.00 0.00 33.01 28.51 2rqa s GLN 648 CO 0.03 -0.59 0.00 0.00 0.50 0.00 0.00 175.29 175.23 2rqa s ALA 649 N 1.35 2.82 -0.15 1.58 0.00 -1.24 -5.03 121.76 121.09 2rqa s ALA 649 Ca -0.06 -2.17 0.16 0.00 0.00 0.00 0.00 51.96 49.89 2rqa s ALA 649 Cb -0.19 0.28 -0.24 0.00 0.00 0.00 0.00 23.12 22.97 2rqa s ALA 649 CO -0.06 -0.14 0.42 1.63 0.00 0.00 0.00 175.76 177.60 2rqa n LYS 650 N -0.83 0.71 -4.90 0.00 5.02 -1.26 -1.60 118.16 115.31 2rqa n LYS 650 Ca -0.04 -0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 55.80 2rqa n LYS 650 Cb 0.66 -1.37 -0.14 0.00 -0.02 0.00 0.00 35.03 34.16 2rqa n LYS 650 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2rqa s LYS 651 N -3.03 2.85 0.13 1.97 3.01 -1.26 -4.55 119.74 118.85 2rqa s LYS 651 Ca -0.04 -0.72 0.16 0.00 -1.01 0.00 0.00 55.97 54.36 2rqa s LYS 651 Cb 0.11 -2.45 0.71 0.00 -1.01 0.00 0.00 37.83 35.19 2rqa s LYS 651 CO 0.68 0.43 1.49 0.91 0.51 0.00 0.00 175.35 179.38 2rqa n TRP 652 N 2.86 0.36 0.27 3.18 7.02 -1.26 -1.49 117.44 128.38 2rqa n TRP 652 Ca -0.18 0.16 0.06 0.00 -1.02 0.00 0.00 57.50 56.52 2rqa n TRP 652 Cb 0.52 -0.75 0.25 0.00 -2.42 0.00 0.00 31.31 28.92 2rqa n TRP 652 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2rqa n SER 653 N -1.84 0.15 -0.09 -0.99 2.88 -1.26 -1.42 113.62 111.05 2rqa n SER 653 Ca 0.02 0.55 -0.09 0.00 -1.33 0.00 0.00 58.87 58.02 2rqa n SER 653 Cb 0.14 -0.58 -0.16 0.00 -0.75 0.00 0.00 64.21 62.86 2rqa n SER 653 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2rqa n ARG 654 N -1.68 0.69 -1.73 -1.46 5.12 -0.56 -4.96 116.66 112.08 2rqa n ARG 654 Ca 0.02 -0.01 -0.67 0.00 -1.93 0.00 0.00 57.85 55.26 2rqa n ARG 654 Cb 0.10 -1.53 -0.10 0.00 -1.16 0.00 0.00 32.46 29.77 2rqa n ARG 654 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2rqa n VAL 655 N -2.74 0.00 0.00 1.55 0.31 -0.50 -4.82 118.33 112.12 2rqa n VAL 655 Ca -0.31 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 63.84 2rqa n VAL 655 Cb 1.13 -0.50 -0.10 0.00 -0.91 0.00 0.00 33.84 33.46 2rqa n VAL 655 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2rqa h PRO 656 N 5.03 0.54 -7.12 5.55 0.13 -1.93 -3.45 132.00 130.75 2rqa h PRO 656 Ca -0.43 -0.52 -0.51 0.00 -0.87 0.00 0.00 66.00 63.67 2rqa h PRO 656 Cb 1.36 0.14 0.08 0.00 0.13 0.00 0.00 31.00 32.71 2rqa h PRO 656 CO 0.97 1.15 0.42 -0.59 -0.23 0.00 0.00 178.00 179.73 2rqa s PHE 657 N -3.40 2.62 0.06 1.56 -0.12 -1.26 -4.85 117.98 112.58 2rqa s PHE 657 Ca -0.12 1.54 0.00 0.00 -0.05 0.00 0.00 56.93 58.31 2rqa s PHE 657 Cb 0.05 -3.28 -0.04 0.00 -0.63 0.00 0.00 43.02 39.13 2rqa s PHE 657 CO 0.85 -1.68 0.17 -1.12 -0.05 0.00 0.00 175.22 173.40 2rqa s SER 658 N -1.98 6.15 -0.16 1.98 0.01 -1.26 -5.04 113.70 113.40 2rqa s SER 658 Ca 0.72 0.21 -0.04 0.00 1.31 0.00 0.00 55.95 58.14 2rqa s SER 658 Cb -0.24 -1.84 0.07 0.00 0.21 0.00 0.00 66.02 64.22 2rqa s SER 658 CO 0.32 0.18 0.18 0.54 0.41 0.00 0.00 173.24 174.86 2rqa s VAL 659 N -1.46 -0.25 0.44 3.43 0.11 -1.26 -4.88 120.40 116.53 2rqa s VAL 659 Ca 0.33 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.16 2rqa s VAL 659 Cb -0.13 -0.55 -0.09 0.00 -1.53 0.00 0.00 36.38 34.09 2rqa s VAL 659 CO 0.26 -0.12 1.05 -2.16 -3.33 0.00 0.00 175.10 170.79 2rqa s PRO 660 N 2.28 3.97 0.59 1.54 0.04 -1.26 -4.36 135.00 137.79 2rqa s PRO 660 Ca 0.05 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 2rqa s PRO 660 Cb -0.15 -2.31 -0.13 0.00 0.04 0.00 0.00 34.50 31.95 2rqa s PRO 660 CO -0.10 -0.30 -0.06 -3.47 0.04 0.00 0.00 177.00 173.12 2rqa n ASP 661 N -0.54 -3.36 -4.65 6.66 2.03 -1.26 -3.28 116.55 112.15 2rqa n ASP 661 Ca 0.07 0.61 -0.43 0.00 0.52 0.00 0.00 54.79 55.56 2rqa n ASP 661 Cb 0.51 -0.92 -0.02 0.00 -0.72 0.00 0.00 41.12 39.97 2rqa n ASP 661 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2rqa s PHE 662 N -1.95 2.32 -0.30 -0.67 2.19 0.30 -4.69 117.98 115.17 2rqa s PHE 662 Ca 0.57 0.60 -0.19 0.00 0.33 0.00 0.00 56.93 58.24 2rqa s PHE 662 Cb -0.44 -3.83 -0.01 0.00 -1.31 0.00 0.00 43.02 37.43 2rqa s PHE 662 CO 0.66 -2.75 0.59 0.16 1.83 0.00 0.00 175.22 175.70 2rqa s ASP 663 N 3.25 6.46 0.35 6.13 1.47 -1.26 -4.92 116.67 128.15 2rqa s ASP 663 Ca 0.66 0.39 0.21 0.00 1.18 0.00 0.00 52.55 54.99 2rqa s ASP 663 Cb -0.26 -2.31 0.21 0.00 -0.34 0.00 0.00 42.92 40.22 2rqa s ASP 663 CO 0.25 -0.43 1.44 0.15 0.68 0.00 0.00 175.17 177.26 2rqa h PHE 664 N 8.18 0.00 -0.15 2.11 3.57 -1.97 -1.09 116.94 127.59 2rqa h PHE 664 Ca -0.27 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.08 2rqa h PHE 664 Cb 1.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2rqa h PHE 664 CO 0.75 0.12 -0.54 -0.07 -2.23 0.00 0.00 178.31 176.34 2rqa h LEU 665 N 0.00 0.49 0.00 0.59 3.38 -1.97 0.08 115.31 117.88 2rqa h LEU 665 Ca -0.01 -0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 2rqa h LEU 665 Cb 1.10 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2rqa h LEU 665 CO 0.01 0.94 -1.00 -0.61 0.09 0.00 0.00 178.44 177.87 2rqa h GLN 666 N 0.34 0.00 -0.31 1.13 4.15 -1.96 -2.98 115.11 115.48 2rqa h GLN 666 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.48 2rqa h GLN 666 Cb 1.06 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.70 2rqa h GLN 666 CO 0.10 0.98 0.01 1.25 -1.93 0.00 0.00 178.83 179.23 2rqa h HIS 667 N -1.00 0.00 -0.40 3.99 2.76 -1.28 0.32 115.15 119.54 2rqa h HIS 667 Ca -0.28 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 57.89 2rqa h HIS 667 Cb 1.23 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 30.21 2rqa h HIS 667 CO 0.13 -0.04 0.14 0.00 -1.30 0.00 0.00 177.93 176.85 2rqa n ALA 669 N -2.47 1.89 0.21 0.00 0.00 0.18 -1.38 120.51 118.95 2rqa n ALA 669 Ca 0.03 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2rqa n ALA 669 Cb 0.16 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.27 2rqa n ALA 669 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rqa n GLU 670 N -1.75 0.94 -0.00 0.00 1.02 0.91 -4.47 120.64 117.29 2rqa n GLU 670 Ca 0.04 -0.64 0.08 0.00 -0.02 0.00 0.00 57.16 56.62 2rqa n GLU 670 Cb 0.25 -1.02 -0.11 0.00 -0.02 0.00 0.00 31.44 30.55 2rqa n GLU 670 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2rqa n ASN 671 N -0.00 1.04 -3.25 1.62 5.03 0.38 -4.98 115.26 115.09 2rqa n ASN 671 Ca 0.03 -0.38 -0.13 0.00 0.87 0.00 0.00 54.58 54.97 2rqa n ASN 671 Cb 0.12 1.42 0.07 0.00 -1.02 0.00 0.00 39.78 40.37 2rqa n ASN 671 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2rqa n LEU 672 N -1.76 0.00 -1.37 3.41 4.77 -0.48 -5.00 117.00 116.57 2rqa n LEU 672 Ca -0.00 -1.03 0.10 0.00 -0.03 0.00 0.00 56.01 55.05 2rqa n LEU 672 Cb 0.35 -0.37 0.32 0.00 -2.33 0.00 0.00 43.42 41.38 2rqa n LEU 672 CO 0.33 -0.80 0.78 -1.20 -1.33 0.00 0.00 177.39 175.17 2rqa n SER 673 N -3.05 4.19 0.21 -1.43 7.64 -1.26 -4.30 113.62 115.62 2rqa n SER 673 Ca 0.09 -2.21 0.15 0.00 1.01 0.00 0.00 58.87 57.91 2rqa n SER 673 Cb 0.30 -0.50 0.72 0.00 -1.01 0.00 0.00 64.21 63.72 2rqa n SER 673 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2rqa h ASP 674 N 3.92 0.00 0.08 6.43 3.58 -1.93 -2.39 116.42 126.12 2rqa h ASP 674 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rqa h ASP 674 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2rqa h ASP 674 CO 0.10 0.00 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.35 2rqa h LEU 675 N 0.00 -0.10 -7.00 2.28 -0.00 -1.81 -3.48 115.31 105.20 2rqa h LEU 675 Ca 0.00 -0.50 0.15 0.00 -0.00 0.00 0.00 57.88 57.53 2rqa h LEU 675 Cb 0.17 0.02 -0.27 0.00 -0.00 0.00 0.00 40.66 40.58 2rqa h LEU 675 CO 0.00 0.56 0.72 -0.44 -0.00 0.00 0.00 178.44 179.27 2rqa s SER 676 N -5.70 -0.22 -0.15 -0.43 0.01 -0.90 -5.08 113.70 101.23 2rqa s SER 676 Ca -0.13 0.34 -0.11 0.00 1.31 0.00 0.00 55.95 57.36 2rqa s SER 676 Cb -0.00 0.31 -0.06 0.00 0.21 0.00 0.00 66.02 66.48 2rqa s SER 676 CO 0.51 -0.14 -0.09 -0.07 0.41 0.00 0.00 173.24 173.86 2rqa h LEU 677 N 2.96 0.00 0.00 2.44 3.38 -1.94 -3.45 115.31 118.70 2rqa h LEU 677 Ca -0.20 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2rqa h LEU 677 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2rqa h LEU 677 CO 0.21 0.86 0.00 -0.67 0.09 0.00 0.00 178.44 178.93