#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 -5.03 1.61 -0.04 -1.26 -4.93 135.00 125.35 2rqa n PRO 543 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2rqa n PRO 543 Cb 0.00 -0.44 -0.15 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.16 2.60 -1.22 0.54 3.76 -1.26 -5.05 115.29 114.50 2rqa s HIS 544 Ca 0.00 -0.44 -0.11 0.00 -0.15 0.00 0.00 55.06 54.37 2rqa s HIS 544 Cb 0.00 -1.64 0.19 0.00 1.11 0.00 0.00 32.58 32.24 2rqa s HIS 544 CO 0.00 -0.03 1.59 -1.33 -0.85 0.00 0.00 174.74 174.12 2rqa n MET 545 N 2.72 3.60 -5.01 1.40 2.81 -1.26 -4.95 117.12 116.43 2rqa n MET 545 Ca -0.17 -3.85 -0.27 0.00 -1.81 0.00 0.00 57.70 51.60 2rqa n MET 545 Cb 0.52 -2.90 -0.16 0.00 -0.71 0.00 0.00 33.22 29.98 2rqa n MET 545 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2rqa s GLN 546 N 0.38 1.67 -0.30 0.03 -0.21 -1.26 -5.11 119.66 114.87 2rqa s GLN 546 Ca 0.39 -0.74 0.03 0.00 0.02 0.00 0.00 55.36 55.06 2rqa s GLN 546 Cb 0.02 -1.62 0.17 0.00 1.00 0.00 0.00 33.01 32.58 2rqa s GLN 546 CO 0.01 0.44 0.44 -0.06 -2.12 0.00 0.00 175.29 174.00 2rqa s PHE 547 N -0.49 -1.09 0.29 0.91 0.40 -1.26 -4.97 117.98 111.77 2rqa s PHE 547 Ca 0.08 0.31 -0.29 0.00 -0.60 0.00 0.00 56.93 56.43 2rqa s PHE 547 Cb -0.08 -0.10 -0.09 0.00 0.51 0.00 0.00 43.02 43.26 2rqa s PHE 547 CO -0.01 -1.01 1.08 -1.25 0.70 0.00 0.00 175.22 174.73 2rqa s PRO 548 N 2.45 4.60 0.20 0.24 0.04 -1.26 -3.63 135.00 137.63 2rqa s PRO 548 Ca 0.11 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.78 2rqa s PRO 548 Cb -0.12 -3.11 0.27 0.00 0.04 0.00 0.00 34.50 31.58 2rqa s PRO 548 CO -0.26 0.19 1.71 -0.39 0.04 0.00 0.00 177.00 178.29 2rqa h VAL 549 N 2.98 0.68 -0.24 -0.36 -1.51 -1.86 1.22 116.25 117.16 2rqa h VAL 549 Ca -0.47 -0.10 0.07 0.00 -1.23 0.00 0.00 66.70 64.98 2rqa h VAL 549 Cb 1.21 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2rqa h VAL 549 CO 0.66 0.05 0.34 1.05 -1.23 0.00 0.00 177.57 178.45 2rqa h GLU 550 N 0.28 0.00 0.00 5.19 4.11 -1.92 0.36 114.58 122.60 2rqa h GLU 550 Ca 0.30 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.56 2rqa h GLU 550 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2rqa h GLU 550 CO -0.37 0.00 -2.14 0.72 0.07 0.00 0.00 179.01 177.29 2rqa n HIS 551 N -3.51 0.05 -3.15 2.06 8.25 0.21 -4.86 115.22 114.26 2rqa n HIS 551 Ca 0.03 0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.10 2rqa n HIS 551 Cb 0.47 -0.74 -0.07 0.00 1.12 0.00 0.00 29.99 30.77 2rqa n HIS 551 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2rqa s VAL 552 N -3.05 4.98 0.40 1.59 1.01 0.36 -4.71 120.40 120.98 2rqa s VAL 552 Ca -0.09 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.80 2rqa s VAL 552 Cb 0.10 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.54 2rqa s VAL 552 CO 0.87 -0.08 0.55 -1.58 0.00 0.00 0.00 175.10 174.86 2rqa s GLN 553 N 2.51 2.91 -0.36 2.72 0.74 -1.25 0.32 119.66 127.25 2rqa s GLN 553 Ca 0.24 -1.14 -0.08 0.00 0.05 0.00 0.00 55.36 54.43 2rqa s GLN 553 Cb -0.15 -2.76 0.05 0.00 1.10 0.00 0.00 33.01 31.24 2rqa s GLN 553 CO 0.11 -0.19 0.16 -0.51 -0.55 0.00 0.00 175.29 174.31 2rqa s LEU 554 N -4.32 4.59 0.44 3.68 1.43 -1.09 -3.80 118.68 119.62 2rqa s LEU 554 Ca 0.52 -1.23 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 2rqa s LEU 554 Cb -0.10 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2rqa s LEU 554 CO 0.33 -0.39 0.02 -0.76 0.23 0.00 0.00 176.35 175.78 2rqa s LEU 555 N 1.42 2.47 -0.37 1.79 1.02 -0.81 0.10 118.68 124.30 2rqa s LEU 555 Ca 0.00 -1.52 -0.08 0.00 0.02 0.00 0.00 54.13 52.55 2rqa s LEU 555 Cb -0.20 -0.69 0.05 0.00 0.02 0.00 0.00 46.19 45.36 2rqa s LEU 555 CO 0.03 -0.69 0.17 0.00 0.02 0.00 0.00 176.35 175.89 2rqa n ILE 557 N 4.89 -0.08 -0.02 0.00 -5.35 -1.03 0.32 119.36 118.09 2rqa n ILE 557 Ca -0.11 1.25 -0.01 0.00 -0.27 0.00 0.00 62.75 63.61 2rqa n ILE 557 Cb 0.45 -2.06 -0.00 0.00 -1.74 0.00 0.00 39.64 36.28 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 0.45 7.28 4.21 -1.92 -3.42 115.58 122.18 2rqa h ASN 558 Ca 0.70 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 58.19 2rqa h ASN 558 Cb 2.59 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.80 2rqa h ASN 558 CO -0.16 0.18 -0.21 0.00 -1.29 0.00 0.00 177.43 175.95 2rqa n MET 560 N -3.92 -4.39 -0.08 0.00 2.81 0.95 -4.84 117.12 107.64 2rqa n MET 560 Ca -0.07 0.47 0.03 0.00 -1.81 0.00 0.00 57.70 56.32 2rqa n MET 560 Cb 0.24 -4.43 0.07 0.00 -0.71 0.00 0.00 33.22 28.39 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 -3.70 1.10 -1.97 2.03 0.24 -1.26 -4.81 118.33 109.96 2rqa n VAL 561 Ca -0.03 -1.11 -0.00 0.00 -2.04 0.00 0.00 64.34 61.16 2rqa n VAL 561 Cb 0.55 0.43 -0.00 0.00 -1.47 0.00 0.00 33.84 33.34 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 -0.22 -2.39 0.66 2.33 0.00 -1.26 -4.95 120.51 114.69 2rqa n ALA 562 Ca 0.06 0.44 0.08 0.00 0.00 0.00 0.00 53.44 54.02 2rqa n ALA 562 Cb 0.36 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 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 1.29 0.00 -0.31 0.00 0.24 0.28 -4.93 118.33 114.91 2rqa n VAL 563 Ca -0.02 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2rqa n VAL 563 Cb 0.03 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 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 1.43 2.67 3.27 7.63 0.00 -0.62 -4.77 105.19 114.79 2rqa n GLY 564 Ca 0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2rqa n GLY 564 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2rqa s HIS 565 N 0.05 -0.14 -0.79 1.61 2.46 -1.26 -2.67 115.29 114.56 2rqa s HIS 565 Ca 0.00 0.01 0.23 0.00 0.47 0.00 0.00 55.06 55.77 2rqa s HIS 565 Cb 0.00 0.13 0.90 0.00 -0.13 0.00 0.00 32.58 33.48 2rqa s HIS 565 CO 0.00 -0.53 1.71 0.41 -2.47 0.00 0.00 174.74 173.86 2rqa n GLY 566 N 0.51 -1.35 0.88 1.59 0.00 0.15 -2.17 105.19 104.79 2rqa n GLY 566 Ca -0.18 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.89 2rqa n GLY 566 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rqa n SER 567 N -1.89 3.46 -0.04 1.61 3.41 -1.24 -4.36 113.62 114.57 2rqa n SER 567 Ca 0.04 -2.28 -0.04 0.00 -0.26 0.00 0.00 58.87 56.33 2rqa n SER 567 Cb 0.28 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 2rqa n SER 567 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2rqa n ASP 568 N 0.47 3.17 -4.79 4.04 10.43 -0.92 -4.98 116.55 123.97 2rqa n ASP 568 Ca 0.17 -0.01 -0.29 0.00 2.57 0.00 0.00 54.79 57.22 2rqa n ASP 568 Cb 0.60 0.49 0.12 0.00 1.84 0.00 0.00 41.12 44.18 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 2rqa s LEU 569 N -4.79 2.20 0.00 0.64 0.05 -1.10 -3.79 118.68 111.89 2rqa s LEU 569 Ca -0.06 0.87 0.00 0.00 0.05 0.00 0.00 54.13 54.99 2rqa s LEU 569 Cb 0.02 -3.23 -0.00 0.00 -2.05 0.00 0.00 46.19 40.93 2rqa s LEU 569 CO 0.29 -2.34 0.25 0.54 -0.55 0.00 0.00 176.35 174.53 2rqa n ARG 570 N -3.62 0.35 -4.33 1.48 3.00 0.15 -4.66 116.66 109.04 2rqa n ARG 570 Ca 0.07 -1.62 -0.19 0.00 -0.01 0.00 0.00 57.85 56.11 2rqa n ARG 570 Cb 0.60 1.50 -0.10 0.00 0.00 0.00 0.00 32.46 34.46 2rqa n ARG 570 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2rqa s LYS 571 N -2.51 1.28 -0.24 5.56 2.20 0.22 0.02 119.74 126.26 2rqa s LYS 571 Ca 0.17 -1.52 0.02 0.00 -0.36 0.00 0.00 55.97 54.29 2rqa s LYS 571 Cb -0.00 -1.12 0.06 0.00 -1.51 0.00 0.00 37.83 35.26 2rqa s LYS 571 CO 0.12 0.19 -0.11 0.08 -0.36 0.00 0.00 175.35 175.28 2rqa s VAL 572 N -2.74 2.01 -1.46 4.02 1.01 -1.24 0.19 120.40 122.18 2rqa s VAL 572 Ca 0.20 -1.46 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 2rqa s VAL 572 Cb -0.02 -2.12 0.18 0.00 0.00 0.00 0.00 36.38 34.43 2rqa s VAL 572 CO 0.06 0.02 0.47 -1.84 0.00 0.00 0.00 175.10 173.81 2rqa n GLU 573 N 4.51 -1.26 -4.30 2.72 0.28 -1.26 0.50 120.64 121.83 2rqa n GLU 573 Ca -0.14 0.11 -0.32 0.00 -0.16 0.00 0.00 57.16 56.65 2rqa n GLU 573 Cb 0.43 -4.68 -0.08 0.00 1.43 0.00 0.00 31.44 28.54 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 -0.94 -0.20 0.94 -1.84 0.00 -1.26 -4.80 105.19 97.10 2rqa n GLY 574 Ca 0.09 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.47 0.06 -3.44 2.61 -1.04 0.18 -5.02 114.28 103.16 2rqa n THR 575 Ca -0.24 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.05 61.59 2rqa n THR 575 Cb 0.65 -1.49 -0.11 0.00 -1.82 0.00 0.00 70.33 67.56 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 -2.02 -0.39 -0.06 -1.42 3.76 -1.22 -5.03 115.29 108.91 2rqa s HIS 576 Ca -0.02 0.12 -0.39 0.00 -0.15 0.00 0.00 55.06 54.63 2rqa s HIS 576 Cb 0.01 -0.37 -0.17 0.00 1.11 0.00 0.00 32.58 33.16 2rqa s HIS 576 CO 0.02 -0.74 1.43 0.72 -0.85 0.00 0.00 174.74 175.32 2rqa n HIS 577 N 5.32 1.55 -4.29 1.40 8.25 -1.26 -3.70 115.22 122.48 2rqa n HIS 577 Ca -0.04 0.71 -0.29 0.00 -0.26 0.00 0.00 57.72 57.84 2rqa n HIS 577 Cb 0.48 -2.32 -0.17 0.00 1.12 0.00 0.00 29.99 29.10 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 1.39 1.47 -0.16 1.59 -7.23 0.10 -3.82 120.40 113.75 2rqa s VAL 578 Ca 0.90 -0.61 -0.16 0.00 -1.81 0.00 0.00 61.98 60.30 2rqa s VAL 578 Cb -1.07 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2rqa s VAL 578 CO 0.56 0.44 0.40 0.20 -0.31 0.00 0.00 175.10 176.39 2rqa s ASN 579 N 1.18 6.53 -0.14 4.85 -0.87 -1.16 0.30 114.94 125.63 2rqa s ASN 579 Ca -0.03 0.63 -0.05 0.00 -1.57 0.00 0.00 52.86 51.84 2rqa s ASN 579 Cb -0.14 -2.24 -0.04 0.00 -0.02 0.00 0.00 41.25 38.81 2rqa s ASN 579 CO -0.05 -0.01 0.05 -0.69 -2.57 0.00 0.00 177.10 173.83 2rqa s VAL 580 N 0.87 4.66 0.00 1.60 1.01 -1.25 -3.98 120.40 123.31 2rqa s VAL 580 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2rqa s VAL 580 Cb -0.14 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2rqa s VAL 580 CO 0.08 0.53 0.00 0.59 0.00 0.00 0.00 175.10 176.29 2rqa n ASN 581 N 2.93 0.00 0.05 3.32 5.03 -1.26 -4.43 115.26 120.90 2rqa n ASN 581 Ca -0.18 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.14 2rqa n ASN 581 Cb 0.53 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.26 2rqa n ASN 581 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2rqa h PRO 582 N 0.00 0.46 0.00 3.52 0.13 -1.99 -2.82 132.00 131.30 2rqa h PRO 582 Ca 0.00 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2rqa h PRO 582 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2rqa h PRO 582 CO 0.00 1.10 0.00 0.09 -0.23 0.00 0.00 178.00 178.96 2rqa n ASN 583 N -3.79 0.00 0.10 1.44 5.03 -1.26 -2.85 115.26 113.93 2rqa n ASN 583 Ca -0.06 -0.47 -0.04 0.00 0.87 0.00 0.00 54.58 54.87 2rqa n ASN 583 Cb 0.80 -0.12 0.14 0.00 -1.02 0.00 0.00 39.78 39.57 2rqa n ASN 583 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2rqa h PHE 584 N 0.00 0.22 -0.00 3.10 3.57 -1.80 -2.72 116.94 119.31 2rqa h PHE 584 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2rqa h PHE 584 Cb 0.10 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 2rqa h PHE 584 CO 0.00 0.72 0.02 0.66 -2.23 0.00 0.00 178.31 177.48 2rqa h SER 585 N 0.13 0.00 1.06 0.41 4.64 -1.68 0.57 113.55 118.67 2rqa h SER 585 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2rqa h SER 585 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2rqa h SER 585 CO 0.09 0.00 -0.62 0.78 -0.87 0.00 0.00 176.83 176.20 2rqa h ASN 586 N 0.00 0.00 -0.39 4.97 -0.26 -1.70 -3.24 115.58 114.96 2rqa h ASN 586 Ca 0.00 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 2rqa h ASN 586 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 2rqa h ASN 586 CO -0.00 0.06 0.00 -1.22 -1.06 0.00 0.00 177.43 175.21 2rqa n TYR 587 N -2.39 0.51 -3.50 1.19 4.01 0.19 -4.72 117.16 112.46 2rqa n TYR 587 Ca 0.03 -0.26 -0.10 0.00 -0.16 0.00 0.00 57.90 57.41 2rqa n TYR 587 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 2rqa n TYR 587 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2rqa s TYR 588 N -1.49 -0.41 -0.11 -0.72 -0.85 -0.89 -0.29 117.35 112.59 2rqa s TYR 588 Ca 0.37 0.38 0.00 0.00 -0.52 0.00 0.00 57.07 57.30 2rqa s TYR 588 Cb 0.21 0.52 0.02 0.00 0.38 0.00 0.00 41.96 43.09 2rqa s TYR 588 CO 0.29 -0.57 -0.11 -0.80 -1.52 0.00 0.00 175.55 172.84 2rqa s ASN 589 N -2.21 2.24 0.13 -0.18 0.01 -0.77 -4.64 114.94 109.52 2rqa s ASN 589 Ca 0.02 -0.35 -0.30 0.00 -0.71 0.00 0.00 52.86 51.51 2rqa s ASN 589 Cb -0.01 -0.94 -0.07 0.00 0.41 0.00 0.00 41.25 40.65 2rqa s ASN 589 CO -0.06 -0.06 1.15 -0.69 -1.51 0.00 0.00 177.10 175.92 2rqa s VAL 590 N 1.40 3.90 1.23 1.60 1.01 -1.26 -3.44 120.40 124.84 2rqa s VAL 590 Ca 0.00 1.52 -0.17 0.00 0.00 0.00 0.00 61.98 63.33 2rqa s VAL 590 Cb -0.13 -3.97 0.26 0.00 0.00 0.00 0.00 36.38 32.53 2rqa s VAL 590 CO -0.06 0.21 0.63 -0.24 0.00 0.00 0.00 175.10 175.64 2rqa n SER 591 N 2.95 -2.77 0.03 3.32 2.88 -0.14 -4.92 113.62 114.97 2rqa n SER 591 Ca 0.05 -0.39 -0.22 0.00 -1.33 0.00 0.00 58.87 56.98 2rqa n SER 591 Cb 0.46 -1.04 -0.14 0.00 -0.75 0.00 0.00 64.21 62.74 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 -2.82 0.29 -6.14 -1.46 3.08 -1.95 -3.44 114.38 101.94 2rqa h ARG 592 Ca -0.50 -0.50 -0.57 0.00 0.07 0.00 0.00 59.98 58.48 2rqa h ARG 592 Cb 1.27 0.19 0.21 0.00 0.08 0.00 0.00 29.97 31.71 2rqa h ARG 592 CO 0.36 1.24 -1.31 -0.25 -1.07 0.00 0.00 179.97 178.93 2rqa n ASP 593 N -3.73 -4.23 0.00 7.04 8.00 -1.26 -4.97 116.55 117.40 2rqa n ASP 593 Ca -0.27 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2rqa n ASP 593 Cb 0.99 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 1.41 0.00 -4.08 -0.24 -0.04 -1.26 -4.81 135.00 125.99 2rqa n PRO 594 Ca 0.04 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.15 2rqa n PRO 594 Cb 0.52 -0.15 -0.12 0.00 -0.04 0.00 0.00 33.50 33.71 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 4.18 -0.52 0.52 1.01 -1.26 -4.35 120.40 119.97 2rqa s VAL 595 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2rqa s VAL 595 Cb 0.00 -2.89 0.18 0.00 0.00 0.00 0.00 36.38 33.68 2rqa s VAL 595 CO 0.00 0.43 0.44 0.52 0.00 0.00 0.00 175.10 176.49 2rqa n VAL 596 N 4.05 -0.04 -4.10 2.92 0.31 -1.26 -5.09 118.33 115.12 2rqa n VAL 596 Ca -0.17 -4.05 -0.09 0.00 -0.01 0.00 0.00 64.34 60.02 2rqa n VAL 596 Cb 0.52 -1.88 -0.10 0.00 -0.91 0.00 0.00 33.84 31.47 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 -0.72 0.13 -0.10 2.52 1.01 -1.26 -4.88 121.20 117.90 2rqa s ILE 597 Ca 0.31 -1.80 -0.27 0.00 0.00 0.00 0.00 60.65 58.89 2rqa s ILE 597 Cb 0.04 -1.88 -0.23 0.00 0.01 0.00 0.00 42.46 40.40 2rqa s ILE 597 CO -0.17 -0.57 0.90 0.78 0.00 0.00 0.00 174.94 175.89 2rqa h ASN 598 N 2.89 -0.01 -4.23 3.58 2.35 -2.07 -3.46 115.58 114.63 2rqa h ASN 598 Ca -0.34 -0.78 -0.37 0.00 -0.55 0.00 0.00 56.30 54.26 2rqa h ASN 598 Cb 1.19 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.30 2rqa h ASN 598 CO 0.59 0.79 -0.77 -0.75 -1.65 0.00 0.00 177.43 175.65 2rqa s LYS 599 N -2.89 0.68 0.49 0.81 2.36 -1.26 -5.15 119.74 114.78 2rqa s LYS 599 Ca -0.17 -0.50 -0.12 0.00 -2.55 0.00 0.00 55.97 52.63 2rqa s LYS 599 Cb -0.01 -0.62 -0.06 0.00 -1.05 0.00 0.00 37.83 36.08 2rqa s LYS 599 CO 0.65 0.16 0.89 0.08 1.55 0.00 0.00 175.35 178.68 2rqa s VAL 600 N -0.60 4.70 0.34 4.02 1.01 -1.26 -5.03 120.40 123.58 2rqa s VAL 600 Ca -0.00 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.87 2rqa s VAL 600 Cb -0.06 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 2rqa s VAL 600 CO 0.00 -0.72 -0.02 -0.36 0.00 0.00 0.00 175.10 174.01 2rqa s PHE 601 N -2.63 2.20 -0.16 5.22 0.40 -1.25 -5.08 117.98 116.67 2rqa s PHE 601 Ca 0.54 -0.72 -0.14 0.00 -0.60 0.00 0.00 56.93 56.01 2rqa s PHE 601 Cb -0.10 -1.40 -0.06 0.00 0.51 0.00 0.00 43.02 41.97 2rqa s PHE 601 CO 0.36 0.31 -0.30 1.63 0.70 0.00 0.00 175.22 177.93 2rqa n LYS 602 N -0.76 0.46 -0.63 0.44 4.01 -1.26 -4.42 118.16 116.00 2rqa n LYS 602 Ca -0.04 0.19 0.49 0.00 -0.51 0.00 0.00 58.31 58.43 2rqa n LYS 602 Cb 0.65 -1.30 0.78 0.00 -0.51 0.00 0.00 35.03 34.66 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2rqa h ASP 603 N -0.84 0.06 -5.08 4.39 3.32 -1.98 -3.40 116.42 112.89 2rqa h ASP 603 Ca -0.14 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2rqa h ASP 603 Cb 1.01 0.04 -0.09 0.00 0.22 0.00 0.00 39.33 40.51 2rqa h ASP 603 CO -0.09 -0.07 0.08 -1.66 -1.72 0.00 0.00 179.24 175.78 2rqa s TRP 604 N -4.98 -0.11 0.35 4.55 1.48 -1.26 -4.49 118.94 114.48 2rqa s TRP 604 Ca -0.06 -0.25 0.09 0.00 -1.06 0.00 0.00 56.10 54.82 2rqa s TRP 604 Cb 0.28 0.46 -0.06 0.00 -1.16 0.00 0.00 33.47 32.99 2rqa s TRP 604 CO 0.88 -1.00 0.00 -1.59 -4.06 0.00 0.00 176.95 171.18 2rqa s LYS 605 N -3.89 2.03 0.82 3.25 -2.85 0.47 -3.95 119.74 115.62 2rqa s LYS 605 Ca 0.10 -1.82 -0.12 0.00 -1.00 0.00 0.00 55.97 53.14 2rqa s LYS 605 Cb -0.02 -1.86 0.08 0.00 -2.06 0.00 0.00 37.83 33.97 2rqa s LYS 605 CO 0.00 0.10 1.10 -1.25 0.10 0.00 0.00 175.35 175.41 2rqa s PRO 606 N -3.71 1.91 0.00 1.78 0.04 -1.26 -0.51 135.00 133.25 2rqa s PRO 606 Ca 0.35 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2rqa s PRO 606 Cb 0.02 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2rqa s PRO 606 CO 0.19 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.91 2rqa n GLY 607 N -2.11 1.69 3.15 0.56 0.00 0.49 -4.46 105.19 104.51 2rqa n GLY 607 Ca 0.07 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.09 0.02 -0.02 0.00 -1.20 -4.32 107.32 101.72 2rqa s GLY 608 Ca 0.00 0.27 -0.34 0.00 0.00 0.00 0.00 44.72 44.65 2rqa s GLY 608 CO 0.00 0.13 1.74 -0.62 0.00 0.00 0.00 173.10 174.35 2rqa n VAL 609 N 1.92 0.32 -3.48 1.40 0.31 -1.26 0.20 118.33 117.74 2rqa n VAL 609 Ca -0.19 -0.06 -0.36 0.00 -0.01 0.00 0.00 64.34 63.73 2rqa n VAL 609 Cb 0.57 -1.71 -0.06 0.00 -0.91 0.00 0.00 33.84 31.73 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 2.63 4.99 -0.14 2.52 1.01 -0.22 -0.97 121.20 131.02 2rqa s ILE 610 Ca 0.86 0.68 -0.05 0.00 0.00 0.00 0.00 60.65 62.14 2rqa s ILE 610 Cb -0.69 -3.70 0.07 0.00 0.01 0.00 0.00 42.46 38.15 2rqa s ILE 610 CO 0.46 0.35 0.29 -0.94 0.00 0.00 0.00 174.94 175.09 2rqa s SER 611 N -1.58 0.20 -0.25 3.58 1.04 -1.22 -1.56 113.70 113.92 2rqa s SER 611 Ca 0.32 0.66 -0.40 0.00 0.48 0.00 0.00 55.95 57.02 2rqa s SER 611 Cb -0.15 0.80 -0.16 0.00 0.10 0.00 0.00 66.02 66.61 2rqa s SER 611 CO 0.17 -0.23 1.70 0.00 0.98 0.00 0.00 173.24 175.86 2rqa h ARG 613 N 6.91 0.00 -0.49 0.00 2.43 -0.93 1.47 114.38 123.76 2rqa h ARG 613 Ca -0.47 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 2rqa h ARG 613 Cb 1.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 2rqa h ARG 613 CO 0.94 0.40 -0.08 -0.91 -1.51 0.00 0.00 179.97 178.82 2rqa h ASN 614 N 0.00 0.87 0.00 -3.80 2.35 -1.87 -3.42 115.58 109.71 2rqa h ASN 614 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2rqa h ASN 614 Cb 0.82 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2rqa h ASN 614 CO 0.05 0.97 0.00 0.00 -1.65 0.00 0.00 177.43 176.81 2rqa n GLY 616 N 3.52 0.49 3.46 0.00 0.00 0.50 -4.93 105.19 108.23 2rqa n GLY 616 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 0.13 -1.52 1.61 2.13 -1.26 -3.90 120.64 117.83 2rqa n GLU 617 Ca 0.00 0.01 -0.41 0.00 0.66 0.00 0.00 57.16 57.42 2rqa n GLU 617 Cb 0.00 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 29.95 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 7.35 0.04 0.01 6.31 0.31 -1.26 -3.11 118.33 127.99 2rqa n VAL 618 Ca 0.61 -0.49 -0.12 0.00 -0.01 0.00 0.00 64.34 64.33 2rqa n VAL 618 Cb 0.07 -2.06 -0.07 0.00 -0.91 0.00 0.00 33.84 30.86 2rqa n VAL 618 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2rqa h TRP 619 N 16.00 0.05 0.00 3.52 6.55 -1.56 -3.48 115.95 137.02 2rqa h TRP 619 Ca -0.23 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.61 2rqa h TRP 619 Cb 1.29 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.57 2rqa h TRP 619 CO 0.98 0.15 0.00 0.41 -1.05 0.00 0.00 178.44 178.94 2rqa n GLY 620 N -0.76 -0.73 3.27 1.49 0.00 -1.20 -4.16 105.19 103.10 2rqa n GLY 620 Ca -0.07 0.58 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 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 0.78 -0.03 0.99 -0.00 -1.25 -1.05 118.68 118.13 2rqa s LEU 621 Ca 0.00 -0.16 -0.22 0.00 -0.00 0.00 0.00 54.13 53.75 2rqa s LEU 621 Cb 0.00 1.43 -0.05 0.00 -0.00 0.00 0.00 46.19 47.58 2rqa s LEU 621 CO 0.00 -0.63 0.65 -1.58 -0.00 0.00 0.00 176.35 174.79 2rqa s GLN 622 N -2.57 4.39 -0.05 1.48 0.74 0.13 -2.62 119.66 121.16 2rqa s GLN 622 Ca -0.05 0.82 0.01 0.00 0.05 0.00 0.00 55.36 56.19 2rqa s GLN 622 Cb -0.01 -3.39 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 2rqa s GLN 622 CO -0.03 0.23 -0.04 -1.64 -0.55 0.00 0.00 175.29 173.25 2rqa s MET 623 N 0.25 2.78 -0.23 1.67 -1.94 0.17 0.19 119.30 122.18 2rqa s MET 623 Ca 0.34 -0.55 -0.02 0.00 -1.71 0.00 0.00 55.69 53.75 2rqa s MET 623 Cb -0.18 -2.64 0.02 0.00 2.01 0.00 0.00 34.83 34.04 2rqa s MET 623 CO 0.18 0.66 -0.08 0.42 -0.01 0.00 0.00 175.02 176.19 2rqa s ILE 624 N -0.90 2.88 -0.26 2.53 1.09 0.34 0.15 121.20 127.02 2rqa s ILE 624 Ca 0.14 -0.86 -0.03 0.00 -1.10 0.00 0.00 60.65 58.80 2rqa s ILE 624 Cb -0.11 -2.38 0.02 0.00 -1.06 0.00 0.00 42.46 38.93 2rqa s ILE 624 CO 0.04 0.32 -0.02 -0.47 -0.10 0.00 0.00 174.94 174.71 2rqa s TYR 625 N 1.36 3.08 -2.09 3.97 5.04 -0.93 -0.40 117.35 127.38 2rqa s TYR 625 Ca 0.03 -1.35 0.00 0.00 -2.44 0.00 0.00 57.07 53.30 2rqa s TYR 625 Cb -0.15 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.04 2rqa s TYR 625 CO -0.06 -0.67 0.00 1.63 -1.34 0.00 0.00 175.55 175.11 2rqa n LYS 626 N 4.73 -1.49 -1.87 4.97 4.76 -1.26 -1.42 118.16 126.58 2rqa n LYS 626 Ca -0.16 1.17 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 2rqa n LYS 626 Cb 0.48 -5.61 0.00 0.00 -1.84 0.00 0.00 35.03 28.05 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 -1.48 -1.57 -3.94 4.39 3.41 -1.26 -5.07 113.62 108.10 2rqa n SER 627 Ca -0.22 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.10 2rqa n SER 627 Cb 0.68 -0.39 -0.16 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.74 1.43 -0.57 -3.33 1.01 -0.51 -5.06 120.40 110.63 2rqa s VAL 628 Ca 0.00 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 60.73 2rqa s VAL 628 Cb 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.69 2rqa s VAL 628 CO 0.00 0.03 2.29 -0.54 0.00 0.00 0.00 175.10 176.88 2rqa s LYS 629 N 1.47 2.14 -0.21 2.72 -0.14 -1.26 -2.19 119.74 122.26 2rqa s LYS 629 Ca -0.03 1.06 0.01 0.00 -1.36 0.00 0.00 55.97 55.65 2rqa s LYS 629 Cb -0.17 -4.60 0.05 0.00 -1.68 0.00 0.00 37.83 31.44 2rqa s LYS 629 CO -0.07 -3.35 -0.07 -0.51 -0.76 0.00 0.00 175.35 170.59 2rqa s LEU 630 N 11.91 2.34 0.74 3.17 1.43 0.12 -4.94 118.68 133.45 2rqa s LEU 630 Ca 0.90 -1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 2rqa s LEU 630 Cb -0.15 -1.15 0.04 0.00 0.03 0.00 0.00 46.19 44.95 2rqa s LEU 630 CO 0.21 -0.20 1.08 -2.16 0.23 0.00 0.00 176.35 175.51 2rqa s PRO 631 N 1.43 2.55 -0.28 1.29 0.04 -1.26 0.44 135.00 139.22 2rqa s PRO 631 Ca -0.04 0.81 -0.02 0.00 0.04 0.00 0.00 61.00 61.79 2rqa s PRO 631 Cb -0.18 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.50 2rqa s PRO 631 CO -0.07 -1.34 0.09 0.08 0.04 0.00 0.00 177.00 175.80 2rqa s VAL 632 N -3.10 0.53 0.48 -0.36 1.01 -1.08 -2.97 120.40 114.92 2rqa s VAL 632 Ca 0.59 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2rqa s VAL 632 Cb -0.14 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.94 2rqa s VAL 632 CO 0.55 -0.58 0.66 -0.76 0.00 0.00 0.00 175.10 174.97 2rqa s LEU 633 N 1.81 3.46 0.00 3.92 2.01 -1.25 -3.77 118.68 124.86 2rqa s LEU 633 Ca 0.07 -0.42 0.02 0.00 0.01 0.00 0.00 54.13 53.81 2rqa s LEU 633 Cb -0.17 -2.48 0.02 0.00 0.01 0.00 0.00 46.19 43.57 2rqa s LEU 633 CO -0.24 -0.98 0.18 0.29 1.01 0.00 0.00 176.35 176.61 2rqa n LYS 634 N -2.05 1.08 -0.00 1.70 5.02 -1.26 -4.76 118.16 117.89 2rqa n LYS 634 Ca 0.10 -1.02 0.06 0.00 -2.02 0.00 0.00 58.31 55.43 2rqa n LYS 634 Cb 0.60 0.03 -0.07 0.00 -0.02 0.00 0.00 35.03 35.56 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 -1.12 0.00 0.10 -0.18 3.14 -1.26 -3.95 118.33 115.06 2rqa n VAL 635 Ca 0.02 -0.24 -0.17 0.00 -2.96 0.00 0.00 64.34 60.99 2rqa n VAL 635 Cb 0.19 0.77 -0.14 0.00 -1.06 0.00 0.00 33.84 33.60 2rqa n VAL 635 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 2rqa h ARG 636 N 0.00 0.30 -0.00 1.45 0.11 -1.69 -3.24 114.38 111.31 2rqa h ARG 636 Ca 0.00 -0.52 0.00 0.00 0.10 0.00 0.00 59.98 59.56 2rqa h ARG 636 Cb 0.35 0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.62 2rqa h ARG 636 CO 0.00 1.23 -0.39 0.45 0.10 0.00 0.00 179.97 181.37 2rqa n SER 637 N -3.54 0.69 -4.41 0.08 2.88 -1.26 -4.71 113.62 103.34 2rqa n SER 637 Ca -0.11 -0.50 -0.35 0.00 -1.33 0.00 0.00 58.87 56.59 2rqa n SER 637 Cb 1.04 0.19 -0.13 0.00 -0.75 0.00 0.00 64.21 64.55 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2rqa s MET 638 N -2.79 3.54 -0.07 -1.46 -1.94 -1.22 -2.45 119.30 112.91 2rqa s MET 638 Ca 0.17 -0.56 -0.05 0.00 -1.71 0.00 0.00 55.69 53.53 2rqa s MET 638 Cb 0.18 -3.00 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 2rqa s MET 638 CO 0.62 0.01 0.16 -1.17 -0.01 0.00 0.00 175.02 174.63 2rqa s LEU 639 N 0.97 4.38 -0.26 -0.03 0.20 0.13 -4.65 118.68 119.42 2rqa s LEU 639 Ca 0.01 0.41 -0.07 0.00 0.69 0.00 0.00 54.13 55.17 2rqa s LEU 639 Cb -0.14 -2.31 -0.02 0.00 -0.43 0.00 0.00 46.19 43.29 2rqa s LEU 639 CO 0.01 0.35 0.07 -0.76 -0.29 0.00 0.00 176.35 175.73 2rqa s LEU 640 N -1.42 3.49 -0.12 -0.68 2.01 -0.75 -1.92 118.68 119.28 2rqa s LEU 640 Ca 0.20 -0.30 -0.20 0.00 0.01 0.00 0.00 54.13 53.85 2rqa s LEU 640 Cb -0.12 -1.91 -0.04 0.00 0.01 0.00 0.00 46.19 44.13 2rqa s LEU 640 CO 0.10 -0.06 0.55 -1.61 1.01 0.00 0.00 176.35 176.34 2rqa s GLU 641 N 1.59 4.33 0.06 1.70 2.02 -1.25 -1.32 118.70 125.84 2rqa s GLU 641 Ca 0.06 0.56 -0.01 0.00 0.02 0.00 0.00 54.97 55.60 2rqa s GLU 641 Cb -0.15 -3.47 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 2rqa s GLU 641 CO 0.03 0.05 -0.01 0.95 0.02 0.00 0.00 175.26 176.30 2rqa s THR 642 N 0.93 0.21 -2.00 3.63 -4.23 -1.26 -3.91 115.64 109.01 2rqa s THR 642 Ca 0.29 -1.79 0.19 0.00 -1.18 0.00 0.00 61.69 59.20 2rqa s THR 642 Cb -0.16 -1.55 0.55 0.00 1.34 0.00 0.00 72.50 72.68 2rqa s THR 642 CO 0.12 -0.95 1.59 -0.81 -0.54 0.00 0.00 174.62 174.04 2rqa n PRO 643 N 0.09 0.75 0.00 3.99 -0.04 -1.26 -1.97 135.00 136.55 2rqa n PRO 643 Ca -0.13 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.39 2rqa n PRO 643 Cb 0.61 -1.40 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.90 2.52 0.00 0.54 6.02 -1.26 -5.07 117.38 119.23 2rqa n GLN 644 Ca 0.14 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2rqa n GLN 644 Cb 0.07 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.19 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 1.29 3.85 3.50 1.08 0.00 -0.83 -5.09 105.19 108.99 2rqa n GLY 645 Ca 0.03 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.79 0.55 -3.75 1.61 1.74 -1.26 -4.18 116.66 110.58 2rqa n ARG 646 Ca 0.00 0.22 -0.22 0.00 -0.77 0.00 0.00 57.85 57.08 2rqa n ARG 646 Cb 0.00 -1.82 -0.18 0.00 -1.02 0.00 0.00 32.46 29.44 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 -1.71 0.25 -0.25 0.55 1.01 -0.43 -4.96 121.20 115.65 2rqa s ILE 647 Ca 0.70 0.20 0.03 0.00 0.00 0.00 0.00 60.65 61.58 2rqa s ILE 647 Cb -0.42 -0.43 0.06 0.00 0.01 0.00 0.00 42.46 41.68 2rqa s ILE 647 CO 0.53 0.24 -0.11 -1.58 0.00 0.00 0.00 174.94 174.02 2rqa s GLN 648 N 2.00 2.23 0.19 2.79 -0.44 -1.26 -1.81 119.66 123.36 2rqa s GLN 648 Ca 0.05 -1.29 0.11 0.00 -2.50 0.00 0.00 55.36 51.73 2rqa s GLN 648 Cb -0.12 -2.84 -0.04 0.00 -1.64 0.00 0.00 33.01 28.36 2rqa s GLN 648 CO -0.05 -0.55 -0.23 0.00 0.50 0.00 0.00 175.29 174.96 2rqa s ALA 649 N 1.14 2.47 -2.09 1.58 0.00 -1.26 -5.02 121.76 118.58 2rqa s ALA 649 Ca -0.08 -1.62 0.22 0.00 0.00 0.00 0.00 51.96 50.48 2rqa s ALA 649 Cb -0.19 -0.31 0.59 0.00 0.00 0.00 0.00 23.12 23.20 2rqa s ALA 649 CO -0.06 0.41 1.50 1.63 0.00 0.00 0.00 175.76 179.23 2rqa n LYS 650 N 0.26 2.58 -3.79 0.00 5.02 -1.26 -2.26 118.16 118.71 2rqa n LYS 650 Ca -0.13 -2.45 -0.13 0.00 -2.02 0.00 0.00 58.31 53.59 2rqa n LYS 650 Cb 0.56 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.16 0.24 0.00 1.97 -0.14 -1.26 -4.56 119.74 114.83 2rqa s LYS 651 Ca 0.45 0.31 0.16 0.00 -1.36 0.00 0.00 55.97 55.53 2rqa s LYS 651 Cb 0.24 0.09 0.70 0.00 -1.68 0.00 0.00 37.83 37.17 2rqa s LYS 651 CO 0.32 -0.04 1.50 0.91 -0.76 0.00 0.00 175.35 177.27 2rqa n TRP 652 N 3.11 0.00 0.29 3.18 7.02 -1.26 -2.07 117.44 127.71 2rqa n TRP 652 Ca -0.14 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.39 2rqa n TRP 652 Cb 0.58 -0.46 0.22 0.00 -2.42 0.00 0.00 31.31 29.22 2rqa n TRP 652 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2rqa n SER 653 N -1.46 0.07 -0.03 -0.99 7.64 -1.26 -1.41 113.62 116.18 2rqa n SER 653 Ca 0.04 0.52 0.03 0.00 1.01 0.00 0.00 58.87 60.47 2rqa n SER 653 Cb 0.17 -0.53 -0.11 0.00 -1.01 0.00 0.00 64.21 62.73 2rqa n SER 653 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2rqa n ARG 654 N -1.58 0.89 -1.62 1.43 5.12 -0.88 -4.99 116.66 115.04 2rqa n ARG 654 Ca 0.02 -0.09 -0.66 0.00 -1.93 0.00 0.00 57.85 55.19 2rqa n ARG 654 Cb 0.10 -1.34 -0.10 0.00 -1.16 0.00 0.00 32.46 29.96 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 -2.17 0.01 0.00 1.55 0.31 -0.50 -4.82 118.33 112.72 2rqa n VAL 655 Ca -0.09 -0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 2rqa n VAL 655 Cb 0.56 -0.52 -0.10 0.00 -0.91 0.00 0.00 33.84 32.87 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 6.12 0.57 -7.21 5.55 0.13 -1.91 -3.45 132.00 131.79 2rqa h PRO 656 Ca -0.35 -0.55 -0.51 0.00 -0.87 0.00 0.00 66.00 63.72 2rqa h PRO 656 Cb 1.38 0.14 0.11 0.00 0.13 0.00 0.00 31.00 32.76 2rqa h PRO 656 CO 1.01 1.17 0.37 -0.59 -0.23 0.00 0.00 178.00 179.73 2rqa s PHE 657 N -3.43 2.60 0.25 1.56 -0.12 -1.24 -4.71 117.98 112.88 2rqa s PHE 657 Ca -0.12 1.55 -0.18 0.00 -0.05 0.00 0.00 56.93 58.13 2rqa s PHE 657 Cb 0.06 -3.17 -0.08 0.00 -0.63 0.00 0.00 43.02 39.19 2rqa s PHE 657 CO 0.86 -1.72 0.73 -1.12 -0.05 0.00 0.00 175.22 173.91 2rqa s SER 658 N -2.62 6.98 -0.32 1.98 0.01 -1.26 -4.99 113.70 113.48 2rqa s SER 658 Ca 0.67 1.38 0.01 0.00 1.31 0.00 0.00 55.95 59.32 2rqa s SER 658 Cb -0.21 -2.41 0.10 0.00 0.21 0.00 0.00 66.02 63.72 2rqa s SER 658 CO 0.43 -0.03 0.07 -0.69 0.41 0.00 0.00 173.24 173.42 2rqa s VAL 659 N -1.65 1.51 0.43 3.43 1.01 -1.26 -4.81 120.40 119.05 2rqa s VAL 659 Ca 0.46 -1.79 -0.23 0.00 0.00 0.00 0.00 61.98 60.42 2rqa s VAL 659 Cb -0.15 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.03 2rqa s VAL 659 CO 0.20 -0.61 1.05 -2.16 0.00 0.00 0.00 175.10 173.57 2rqa s PRO 660 N 1.30 4.03 0.99 2.72 0.04 -1.26 -4.54 135.00 138.28 2rqa s PRO 660 Ca 0.10 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 2rqa s PRO 660 Cb -0.18 -2.39 0.19 0.00 0.04 0.00 0.00 34.50 32.16 2rqa s PRO 660 CO -0.17 -0.25 1.10 0.16 0.04 0.00 0.00 177.00 177.87 2rqa s ASP 661 N -1.70 2.67 -0.65 6.66 1.47 -1.26 0.71 116.67 124.58 2rqa s ASP 661 Ca 0.61 1.18 -0.25 0.00 1.18 0.00 0.00 52.55 55.27 2rqa s ASP 661 Cb -0.20 -1.84 0.04 0.00 -0.34 0.00 0.00 42.92 40.58 2rqa s ASP 661 CO 0.25 -3.10 1.11 0.12 0.68 0.00 0.00 175.17 174.23 2rqa s PHE 662 N -2.98 2.56 -0.91 2.11 2.19 0.50 -4.44 117.98 117.00 2rqa s PHE 662 Ca 0.65 -0.07 -0.24 0.00 0.33 0.00 0.00 56.93 57.60 2rqa s PHE 662 Cb -0.18 -4.40 0.05 0.00 -1.31 0.00 0.00 43.02 37.18 2rqa s PHE 662 CO 0.57 -1.71 1.36 0.34 1.83 0.00 0.00 175.22 177.62 2rqa s ASP 663 N 3.37 6.39 0.52 6.13 3.68 -1.26 -4.83 116.67 130.66 2rqa s ASP 663 Ca 0.32 -1.14 0.41 0.00 2.13 0.00 0.00 52.55 54.27 2rqa s ASP 663 Cb -0.11 -2.55 1.59 0.00 -1.45 0.00 0.00 42.92 40.39 2rqa s ASP 663 CO 0.17 -1.59 1.67 0.15 0.13 0.00 0.00 175.17 175.69 2rqa h PHE 664 N 9.82 0.14 0.57 -5.34 3.57 -1.98 0.38 116.94 124.10 2rqa h PHE 664 Ca 0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2rqa h PHE 664 Cb 1.03 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.74 2rqa h PHE 664 CO 1.22 -0.04 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.91 2rqa h LEU 665 N 0.04 -0.65 0.25 0.59 3.38 -1.98 -1.06 115.31 115.87 2rqa h LEU 665 Ca 0.78 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.78 2rqa h LEU 665 Cb 2.95 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 43.84 2rqa h LEU 665 CO -0.11 -0.26 -0.34 -0.61 0.09 0.00 0.00 178.44 177.22 2rqa h GLN 666 N -1.17 -0.62 -0.67 1.13 4.15 -0.97 0.28 115.11 117.24 2rqa h GLN 666 Ca -0.08 0.04 0.14 0.00 0.77 0.00 0.00 58.65 59.52 2rqa h GLN 666 Cb 0.58 0.14 -0.12 0.00 0.21 0.00 0.00 27.48 28.29 2rqa h GLN 666 CO 0.13 -0.41 -0.09 1.25 -1.93 0.00 0.00 178.83 177.77 2rqa h HIS 667 N -0.64 -0.22 -0.18 3.99 2.76 -0.54 1.51 115.15 121.83 2rqa h HIS 667 Ca 0.00 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 2rqa h HIS 667 Cb 0.62 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 2rqa h HIS 667 CO -0.24 -0.25 0.01 0.00 -1.30 0.00 0.00 177.93 176.15 2rqa n ALA 669 N -2.50 2.13 0.21 0.00 0.00 0.46 -1.58 120.51 119.24 2rqa n ALA 669 Ca -0.00 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.40 2rqa n ALA 669 Cb 0.17 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.74 1.31 -0.13 0.00 1.02 0.18 -4.64 120.64 116.65 2rqa n GLU 670 Ca 0.06 -0.58 -0.26 0.00 -0.02 0.00 0.00 57.16 56.36 2rqa n GLU 670 Cb 0.32 -0.99 -0.11 0.00 -0.02 0.00 0.00 31.44 30.64 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 -0.10 1.96 -2.67 1.62 5.03 0.49 -5.00 115.26 116.60 2rqa n ASN 671 Ca 0.02 0.20 -0.07 0.00 0.87 0.00 0.00 54.58 55.61 2rqa n ASN 671 Cb 0.11 -0.72 0.04 0.00 -1.02 0.00 0.00 39.78 38.20 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 -3.95 0.00 -2.67 3.41 4.77 -0.62 -5.05 117.00 112.89 2rqa n LEU 672 Ca -0.50 -0.54 -0.06 0.00 -0.03 0.00 0.00 56.01 54.88 2rqa n LEU 672 Cb 0.91 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.82 2rqa n LEU 672 CO 0.12 -0.68 0.01 -1.20 -1.33 0.00 0.00 177.39 174.31 2rqa n SER 673 N -3.06 2.19 0.17 -1.43 7.64 -1.26 -4.82 113.62 113.05 2rqa n SER 673 Ca 0.05 -2.46 0.13 0.00 1.01 0.00 0.00 58.87 57.60 2rqa n SER 673 Cb 0.17 -0.47 0.48 0.00 -1.01 0.00 0.00 64.21 63.38 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 2.61 0.00 0.27 6.43 1.82 -1.92 -3.22 116.42 122.40 2rqa h ASP 674 Ca -0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 2rqa h ASP 674 Cb 1.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.30 2rqa h ASP 674 CO 0.35 0.00 -0.13 -0.07 -1.61 0.00 0.00 179.24 177.78 2rqa h LEU 675 N 0.00 -0.30 -7.65 2.28 -0.00 -1.91 -3.50 115.31 104.23 2rqa h LEU 675 Ca 0.00 0.01 0.28 0.00 -0.00 0.00 0.00 57.88 58.17 2rqa h LEU 675 Cb 0.56 0.08 -0.08 0.00 -0.00 0.00 0.00 40.66 41.21 2rqa h LEU 675 CO 0.00 0.11 0.76 -0.44 -0.00 0.00 0.00 178.44 178.87 2rqa s SER 676 N -4.91 -0.04 -0.06 -0.43 0.01 -1.22 -5.06 113.70 102.00 2rqa s SER 676 Ca -0.05 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 56.92 2rqa s SER 676 Cb 0.01 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.45 2rqa s SER 676 CO 0.16 -0.51 -0.04 0.18 0.41 0.00 0.00 173.24 173.44 2rqa n LEU 677 N -0.66 2.32 0.00 2.44 7.99 -1.26 -4.81 117.00 123.02 2rqa n LEU 677 Ca -0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 2rqa n LEU 677 Cb 0.61 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 2rqa n LEU 677 CO 0.15 0.50 0.04 -0.67 -1.51 0.00 0.00 177.39 175.90