#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 0.29 0.05 1.61 -0.04 -1.26 -2.26 135.00 133.39 2rqa n PRO 543 Ca 0.00 0.08 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2rqa n PRO 543 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2rqa n PRO 543 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2rqa n HIS 544 N -1.31 0.82 -3.66 0.54 8.25 -1.26 -4.99 115.22 113.62 2rqa n HIS 544 Ca 0.10 0.26 -0.21 0.00 -0.26 0.00 0.00 57.72 57.61 2rqa n HIS 544 Cb 0.19 -0.97 0.04 0.00 1.12 0.00 0.00 29.99 30.37 2rqa n HIS 544 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2rqa n MET 545 N -2.73 -5.27 -5.01 -0.41 2.81 -0.96 -4.99 117.12 100.57 2rqa n MET 545 Ca -0.06 0.66 -0.32 0.00 -1.81 0.00 0.00 57.70 56.17 2rqa n MET 545 Cb 0.71 -5.32 -0.14 0.00 -0.71 0.00 0.00 33.22 27.76 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 -5.89 2.53 -0.28 0.03 -0.21 -1.26 -5.02 119.66 109.57 2rqa s GLN 546 Ca 0.03 -0.77 0.01 0.00 0.02 0.00 0.00 55.36 54.65 2rqa s GLN 546 Cb -0.01 -2.31 0.16 0.00 1.00 0.00 0.00 33.01 31.85 2rqa s GLN 546 CO 0.80 0.53 0.45 -0.06 -2.12 0.00 0.00 175.29 174.88 2rqa s PHE 547 N -0.51 -1.15 0.38 0.91 0.40 -1.26 -4.80 117.98 111.95 2rqa s PHE 547 Ca 0.07 0.65 -0.25 0.00 -0.60 0.00 0.00 56.93 56.79 2rqa s PHE 547 Cb -0.12 0.01 -0.09 0.00 0.51 0.00 0.00 43.02 43.33 2rqa s PHE 547 CO 0.01 -0.94 1.06 -1.25 0.70 0.00 0.00 175.22 174.80 2rqa s PRO 548 N 2.61 4.26 0.25 0.24 0.04 -1.26 -3.68 135.00 137.46 2rqa s PRO 548 Ca 0.11 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.69 2rqa s PRO 548 Cb -0.13 -2.67 0.49 0.00 0.04 0.00 0.00 34.50 32.23 2rqa s PRO 548 CO -0.26 -0.07 1.73 -0.39 0.04 0.00 0.00 177.00 178.05 2rqa h VAL 549 N 2.37 0.64 -0.63 -0.36 -1.51 -1.87 0.75 116.25 115.65 2rqa h VAL 549 Ca -0.48 -0.16 0.18 0.00 -1.23 0.00 0.00 66.70 65.02 2rqa h VAL 549 Cb 1.21 0.15 -0.03 0.00 -2.13 0.00 0.00 31.29 30.50 2rqa h VAL 549 CO 0.63 0.08 0.47 1.05 -1.23 0.00 0.00 177.57 178.57 2rqa h GLU 550 N 0.45 0.00 0.00 5.19 4.11 -1.92 0.66 114.58 123.07 2rqa h GLU 550 Ca 0.43 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.78 2rqa h GLU 550 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2rqa h GLU 550 CO -0.41 0.00 -1.12 0.45 0.07 0.00 0.00 179.01 177.99 2rqa h HIS 551 N 0.00 0.00 -3.41 2.06 3.86 0.03 -3.45 115.15 114.24 2rqa h HIS 551 Ca 0.30 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.92 2rqa h HIS 551 Cb 1.23 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.60 2rqa h HIS 551 CO 0.00 0.29 -0.08 0.08 0.86 0.00 0.00 177.93 179.08 2rqa s VAL 552 N -3.13 5.14 0.08 2.45 1.01 0.23 -4.04 120.40 122.13 2rqa s VAL 552 Ca -0.01 0.94 0.06 0.00 0.00 0.00 0.00 61.98 62.97 2rqa s VAL 552 Cb 0.09 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2rqa s VAL 552 CO 0.79 0.24 -0.09 -1.58 0.00 0.00 0.00 175.10 174.46 2rqa s GLN 553 N 1.23 2.24 -0.42 2.72 0.74 -1.05 -0.34 119.66 124.78 2rqa s GLN 553 Ca 0.25 -0.95 -0.21 0.00 0.05 0.00 0.00 55.36 54.50 2rqa s GLN 553 Cb -0.15 -2.36 0.02 0.00 1.10 0.00 0.00 33.01 31.62 2rqa s GLN 553 CO 0.10 0.53 0.67 -0.51 -0.55 0.00 0.00 175.29 175.53 2rqa s LEU 554 N -2.04 4.39 0.37 3.68 1.43 -0.35 -2.95 118.68 123.21 2rqa s LEU 554 Ca 0.21 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2rqa s LEU 554 Cb -0.11 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2rqa s LEU 554 CO 0.13 -0.76 0.16 -0.76 0.23 0.00 0.00 176.35 175.35 2rqa s LEU 555 N 2.88 1.87 -0.50 1.79 1.02 -0.98 0.87 118.68 125.63 2rqa s LEU 555 Ca 0.24 -1.66 -0.14 0.00 0.02 0.00 0.00 54.13 52.60 2rqa s LEU 555 Cb -0.14 0.09 0.11 0.00 0.02 0.00 0.00 46.19 46.27 2rqa s LEU 555 CO 0.19 -0.94 0.42 0.00 0.02 0.00 0.00 176.35 176.04 2rqa n ILE 557 N 5.12 -0.18 0.11 0.00 -5.35 -1.10 0.27 119.36 118.24 2rqa n ILE 557 Ca -0.12 1.21 -0.05 0.00 -0.27 0.00 0.00 62.75 63.51 2rqa n ILE 557 Cb 0.41 -1.97 -0.03 0.00 -1.74 0.00 0.00 39.64 36.31 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 -0.30 0.00 7.28 4.21 -1.91 -3.41 115.58 121.45 2rqa h ASN 558 Ca 0.58 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 58.10 2rqa h ASN 558 Cb 1.83 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 39.11 2rqa h ASN 558 CO -0.33 0.08 -0.00 0.00 -1.29 0.00 0.00 177.43 175.89 2rqa n MET 560 N -2.03 -0.51 0.00 0.00 2.81 0.78 -4.85 117.12 113.31 2rqa n MET 560 Ca -0.00 0.06 0.07 0.00 -1.81 0.00 0.00 57.70 56.02 2rqa n MET 560 Cb 0.00 -2.74 -0.01 0.00 -0.71 0.00 0.00 33.22 29.76 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 -1.65 0.00 -1.09 2.03 0.24 -1.26 -4.83 118.33 111.77 2rqa n VAL 561 Ca -0.01 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2rqa n VAL 561 Cb 0.51 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 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 -0.30 -2.21 1.03 2.33 0.00 -1.26 -4.98 120.51 115.12 2rqa n ALA 562 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.60 2rqa n ALA 562 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.74 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 0.29 0.00 -3.10 0.00 0.24 0.25 -4.93 118.33 111.09 2rqa n VAL 563 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2rqa n VAL 563 Cb 0.00 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 1.45 0.68 3.29 7.63 0.00 0.20 -4.73 105.19 113.71 2rqa n GLY 564 Ca 0.07 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.01 1.91 -1.72 1.61 3.76 -1.26 -1.21 115.29 116.37 2rqa s HIS 565 Ca 0.00 -0.39 0.22 0.00 -0.15 0.00 0.00 55.06 54.74 2rqa s HIS 565 Cb 0.00 -1.10 1.22 0.00 1.11 0.00 0.00 32.58 33.81 2rqa s HIS 565 CO 0.00 0.16 1.70 0.41 -0.85 0.00 0.00 174.74 176.16 2rqa n GLY 566 N 1.48 -0.85 0.38 -2.22 0.00 0.54 -1.93 105.19 102.60 2rqa n GLY 566 Ca -0.18 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.14 2.64 -0.00 1.61 3.41 -1.24 -4.42 113.62 114.48 2rqa n SER 567 Ca 0.14 -2.20 0.04 0.00 -0.26 0.00 0.00 58.87 56.59 2rqa n SER 567 Cb 0.12 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.13 2.08 -4.94 4.04 10.43 -0.81 -4.98 116.55 122.23 2rqa n ASP 568 Ca 0.09 -0.25 -0.24 0.00 2.57 0.00 0.00 54.79 56.96 2rqa n ASP 568 Cb 0.43 1.26 0.02 0.00 1.84 0.00 0.00 41.12 44.66 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 -3.17 3.52 0.00 0.64 0.05 -1.21 -3.78 118.68 114.72 2rqa s LEU 569 Ca -0.01 0.41 0.00 0.00 0.05 0.00 0.00 54.13 54.58 2rqa s LEU 569 Cb 0.06 -3.27 0.00 0.00 -2.05 0.00 0.00 46.19 40.92 2rqa s LEU 569 CO 0.36 -0.82 0.31 -2.11 -0.55 0.00 0.00 176.35 173.54 2rqa n ARG 570 N -2.24 0.45 -4.26 1.48 -4.01 0.17 -4.59 116.66 103.67 2rqa n ARG 570 Ca 0.02 -2.05 -0.23 0.00 -1.04 0.00 0.00 57.85 54.55 2rqa n ARG 570 Cb 0.58 1.90 -0.07 0.00 -3.04 0.00 0.00 32.46 31.83 2rqa n ARG 570 CO 0.00 0.00 0.00 0.21 -3.04 0.00 0.00 177.63 174.80 2rqa s LYS 571 N -2.64 2.39 -0.28 2.89 2.20 0.18 -0.99 119.74 123.49 2rqa s LYS 571 Ca 0.22 -1.32 0.02 0.00 -0.36 0.00 0.00 55.97 54.52 2rqa s LYS 571 Cb -0.00 -2.24 0.08 0.00 -1.51 0.00 0.00 37.83 34.15 2rqa s LYS 571 CO 0.16 0.38 -0.01 0.08 -0.36 0.00 0.00 175.35 175.60 2rqa s VAL 572 N -2.21 1.74 -1.26 4.02 1.01 -1.25 0.92 120.40 123.37 2rqa s VAL 572 Ca 0.31 -1.65 -0.14 0.00 0.00 0.00 0.00 61.98 60.51 2rqa s VAL 572 Cb -0.07 -2.11 0.13 0.00 0.00 0.00 0.00 36.38 34.32 2rqa s VAL 572 CO 0.20 -0.33 0.45 -1.84 0.00 0.00 0.00 175.10 173.58 2rqa n GLU 573 N 4.54 -2.29 -4.22 2.72 0.28 -1.26 0.19 120.64 120.61 2rqa n GLU 573 Ca -0.06 0.23 -0.32 0.00 -0.16 0.00 0.00 57.16 56.86 2rqa n GLU 573 Cb 0.43 -4.85 -0.06 0.00 1.43 0.00 0.00 31.44 28.39 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 -1.00 -0.25 0.77 -1.84 0.00 -1.26 -4.82 105.19 96.79 2rqa n GLY 574 Ca 0.05 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.42 0.45 -3.53 2.61 -1.04 0.13 -5.04 114.28 103.43 2rqa n THR 575 Ca -0.19 -0.09 -0.02 0.00 -2.04 0.00 0.00 64.05 61.70 2rqa n THR 575 Cb 0.63 -1.61 -0.05 0.00 -1.82 0.00 0.00 70.33 67.48 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 -2.14 -1.23 0.87 -1.42 3.76 -1.24 -5.04 115.29 108.85 2rqa s HIS 576 Ca -0.11 1.91 -0.15 0.00 -0.15 0.00 0.00 55.06 56.57 2rqa s HIS 576 Cb 0.04 0.58 -0.02 0.00 1.11 0.00 0.00 32.58 34.29 2rqa s HIS 576 CO 0.13 -0.67 0.23 0.72 -0.85 0.00 0.00 174.74 174.30 2rqa n HIS 577 N 5.43 -1.90 -3.65 1.40 8.25 -1.26 -3.88 115.22 119.60 2rqa n HIS 577 Ca -0.08 0.23 -0.07 0.00 -0.26 0.00 0.00 57.72 57.54 2rqa n HIS 577 Cb 0.50 -1.77 -0.08 0.00 1.12 0.00 0.00 29.99 29.76 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 -2.17 -0.08 -0.37 1.59 -7.23 -0.16 -4.33 120.40 107.65 2rqa s VAL 578 Ca 0.57 0.02 -0.15 0.00 -1.81 0.00 0.00 61.98 60.61 2rqa s VAL 578 Cb -0.26 -0.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.76 2rqa s VAL 578 CO 0.67 0.01 0.32 0.21 -0.31 0.00 0.00 175.10 175.99 2rqa s ASN 579 N 1.70 6.12 -0.04 4.85 3.04 -1.24 -0.66 114.94 128.71 2rqa s ASN 579 Ca -0.10 -0.53 -0.23 0.00 0.04 0.00 0.00 52.86 52.04 2rqa s ASN 579 Cb -0.06 -2.17 -0.04 0.00 -1.54 0.00 0.00 41.25 37.43 2rqa s ASN 579 CO -0.19 -0.37 0.67 -0.69 -3.04 0.00 0.00 177.10 173.48 2rqa s VAL 580 N 1.85 4.97 -0.30 -5.21 1.01 -1.25 -4.43 120.40 117.05 2rqa s VAL 580 Ca 0.08 1.39 -0.17 0.00 0.00 0.00 0.00 61.98 63.28 2rqa s VAL 580 Cb -0.18 -4.01 0.22 0.00 0.00 0.00 0.00 36.38 32.41 2rqa s VAL 580 CO 0.11 0.32 1.32 0.20 0.00 0.00 0.00 175.10 177.05 2rqa s ASN 581 N 0.41 -0.01 0.17 3.32 -0.87 -1.26 -4.64 114.94 112.06 2rqa s ASN 581 Ca 0.35 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.66 2rqa s ASN 581 Cb -0.18 0.85 0.02 0.00 -0.02 0.00 0.00 41.25 41.92 2rqa s ASN 581 CO 0.18 -0.00 1.40 1.55 -2.57 0.00 0.00 177.10 177.65 2rqa h PRO 582 N 4.71 0.29 0.00 -0.60 0.13 -1.95 -2.78 132.00 131.79 2rqa h PRO 582 Ca -0.26 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2rqa h PRO 582 Cb 1.16 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2rqa h PRO 582 CO 0.23 0.97 0.00 0.09 -0.23 0.00 0.00 178.00 179.06 2rqa n ASN 583 N -3.74 0.00 0.11 1.44 4.13 -1.26 -3.01 115.26 112.92 2rqa n ASN 583 Ca -0.04 -0.69 -0.04 0.00 1.68 0.00 0.00 54.58 55.49 2rqa n ASN 583 Cb 0.77 -0.08 0.10 0.00 -1.54 0.00 0.00 39.78 39.02 2rqa n ASN 583 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2rqa h PHE 584 N 0.00 0.10 0.00 3.10 3.57 -1.78 -2.86 116.94 119.08 2rqa h PHE 584 Ca 0.00 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2rqa h PHE 584 Cb 0.07 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 2rqa h PHE 584 CO 0.00 0.75 -0.02 1.03 -2.23 0.00 0.00 178.31 177.84 2rqa h SER 585 N 0.05 0.00 0.81 0.41 0.87 -1.69 0.32 113.55 114.32 2rqa h SER 585 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2rqa h SER 585 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2rqa h SER 585 CO 0.10 0.02 -0.45 0.59 -0.53 0.00 0.00 176.83 176.56 2rqa n ASN 586 N -3.34 0.55 -0.99 6.23 3.02 -1.08 -3.35 115.26 116.30 2rqa n ASN 586 Ca -0.02 0.09 0.12 0.00 -0.03 0.00 0.00 54.58 54.73 2rqa n ASN 586 Cb 0.14 0.02 0.24 0.00 -0.61 0.00 0.00 39.78 39.57 2rqa n ASN 586 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rqa n TYR 587 N -1.84 0.36 -3.49 3.10 4.01 0.11 -4.85 117.16 114.56 2rqa n TYR 587 Ca 0.05 -0.18 -0.12 0.00 -0.16 0.00 0.00 57.90 57.49 2rqa n TYR 587 Cb 0.39 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.39 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 -1.64 -0.47 -0.09 -0.72 -0.85 -1.03 -0.79 117.35 111.76 2rqa s TYR 588 Ca 0.36 0.48 0.02 0.00 -0.52 0.00 0.00 57.07 57.41 2rqa s TYR 588 Cb 0.21 0.51 0.01 0.00 0.38 0.00 0.00 41.96 43.08 2rqa s TYR 588 CO 0.30 -0.63 -0.14 -0.80 -1.52 0.00 0.00 175.55 172.76 2rqa s ASN 589 N -2.14 2.23 0.22 -0.18 0.01 -1.11 -4.68 114.94 109.27 2rqa s ASN 589 Ca -0.00 -0.38 -0.30 0.00 -0.71 0.00 0.00 52.86 51.47 2rqa s ASN 589 Cb -0.01 -1.00 -0.09 0.00 0.41 0.00 0.00 41.25 40.57 2rqa s ASN 589 CO -0.05 0.02 1.18 -0.69 -1.51 0.00 0.00 177.10 176.05 2rqa s VAL 590 N 0.89 3.49 1.27 1.60 1.01 -1.26 -3.69 120.40 123.71 2rqa s VAL 590 Ca -0.09 1.32 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 2rqa s VAL 590 Cb -0.15 -3.84 0.32 0.00 0.00 0.00 0.00 36.38 32.70 2rqa s VAL 590 CO 0.01 0.24 1.00 -0.55 0.00 0.00 0.00 175.10 175.79 2rqa s SER 591 N -0.13 0.18 0.01 3.32 0.15 0.42 -4.92 113.70 112.72 2rqa s SER 591 Ca 0.51 1.10 -0.18 0.00 0.70 0.00 0.00 55.95 58.08 2rqa s SER 591 Cb -0.33 -1.65 -0.33 0.00 -1.71 0.00 0.00 66.02 62.00 2rqa s SER 591 CO 0.39 -4.63 0.98 -0.09 1.20 0.00 0.00 173.24 171.08 2rqa h ARG 592 N -2.92 0.47 -6.08 5.44 2.43 -1.95 -3.43 114.38 108.33 2rqa h ARG 592 Ca -0.52 -0.77 -0.62 0.00 -0.81 0.00 0.00 59.98 57.26 2rqa h ARG 592 Cb 1.33 0.28 0.15 0.00 -0.42 0.00 0.00 29.97 31.31 2rqa h ARG 592 CO 0.40 1.36 -0.77 -0.40 -1.51 0.00 0.00 179.97 179.05 2rqa n ASP 593 N -3.88 -2.22 0.00 -3.80 5.68 -1.26 -4.95 116.55 106.11 2rqa n ASP 593 Ca -0.15 0.86 0.00 0.00 -0.50 0.00 0.00 54.79 55.00 2rqa n ASP 593 Cb 0.98 -0.95 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 2rqa n ASP 593 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2rqa n PRO 594 N 1.11 0.00 -3.80 0.11 -0.04 -1.26 -4.71 135.00 126.41 2rqa n PRO 594 Ca 0.12 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.22 2rqa n PRO 594 Cb 0.38 -0.16 -0.10 0.00 -0.04 0.00 0.00 33.50 33.59 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 4.94 -0.48 0.52 1.01 -1.26 -4.10 120.40 121.01 2rqa s VAL 595 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.06 2rqa s VAL 595 Cb 0.00 -3.28 0.18 0.00 0.00 0.00 0.00 36.38 33.28 2rqa s VAL 595 CO 0.00 0.38 0.41 0.52 0.00 0.00 0.00 175.10 176.41 2rqa n VAL 596 N 4.20 -0.42 -4.02 2.92 0.31 -1.26 -5.09 118.33 114.97 2rqa n VAL 596 Ca -0.16 -3.87 -0.09 0.00 -0.01 0.00 0.00 64.34 60.21 2rqa n VAL 596 Cb 0.52 -1.82 -0.08 0.00 -0.91 0.00 0.00 33.84 31.55 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 -0.53 0.11 0.00 2.52 1.01 -1.26 -4.90 121.20 118.15 2rqa s ILE 597 Ca 0.32 -1.58 -0.24 0.00 0.00 0.00 0.00 60.65 59.15 2rqa s ILE 597 Cb 0.05 -1.79 -0.15 0.00 0.01 0.00 0.00 42.46 40.57 2rqa s ILE 597 CO -0.17 -0.49 1.14 -1.13 0.00 0.00 0.00 174.94 174.28 2rqa h ASN 598 N 2.75 -0.46 -5.80 3.58 -1.24 -2.07 -3.47 115.58 108.86 2rqa h ASN 598 Ca -0.33 -0.12 -0.41 0.00 0.71 0.00 0.00 56.30 56.14 2rqa h ASN 598 Cb 1.20 0.12 -0.12 0.00 0.73 0.00 0.00 38.32 40.25 2rqa h ASN 598 CO 0.55 -0.08 -0.45 -1.59 -1.29 0.00 0.00 177.43 174.57 2rqa s LYS 599 N -4.50 1.73 0.20 6.67 0.00 -1.26 -5.17 119.74 117.41 2rqa s LYS 599 Ca -0.14 -1.93 0.02 0.00 0.00 0.00 0.00 55.97 53.92 2rqa s LYS 599 Cb 0.02 0.34 -0.04 0.00 0.00 0.00 0.00 37.83 38.15 2rqa s LYS 599 CO 0.49 -0.65 0.36 0.08 0.00 0.00 0.00 175.35 175.63 2rqa s VAL 600 N -3.45 5.25 0.29 1.79 1.01 -1.26 -4.99 120.40 119.04 2rqa s VAL 600 Ca 0.39 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.83 2rqa s VAL 600 Cb 0.02 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 2rqa s VAL 600 CO 0.25 -0.20 -0.03 -0.36 0.00 0.00 0.00 175.10 174.76 2rqa s PHE 601 N -1.87 1.98 -0.33 5.22 0.40 -1.26 -5.03 117.98 117.08 2rqa s PHE 601 Ca 0.36 -0.75 0.15 0.00 -0.60 0.00 0.00 56.93 56.09 2rqa s PHE 601 Cb -0.11 -1.18 0.68 0.00 0.51 0.00 0.00 43.02 42.92 2rqa s PHE 601 CO 0.29 0.23 1.59 1.63 0.70 0.00 0.00 175.22 179.67 2rqa n LYS 602 N -0.62 3.94 -0.04 0.44 5.02 -1.26 -4.26 118.16 121.39 2rqa n LYS 602 Ca -0.05 -2.98 -0.05 0.00 -2.02 0.00 0.00 58.31 53.22 2rqa n LYS 602 Cb 0.64 -2.03 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2rqa n ASP 603 N 0.22 3.39 -3.61 4.39 9.92 -1.26 -5.09 116.55 124.51 2rqa n ASP 603 Ca 0.25 -0.03 -0.09 0.00 -0.53 0.00 0.00 54.79 54.39 2rqa n ASP 603 Cb 1.02 0.17 -0.02 0.00 -0.64 0.00 0.00 41.12 41.66 2rqa n ASP 603 CO 0.00 0.00 0.00 -1.66 0.13 0.00 0.00 177.20 175.67 2rqa s TRP 604 N -2.16 0.13 0.32 1.24 -2.14 -1.26 -4.71 118.94 110.36 2rqa s TRP 604 Ca -0.08 -0.60 0.10 0.00 2.66 0.00 0.00 56.10 58.19 2rqa s TRP 604 Cb 0.02 0.55 -0.06 0.00 -3.10 0.00 0.00 33.47 30.88 2rqa s TRP 604 CO 0.22 -1.25 -0.12 -1.59 -2.66 0.00 0.00 176.95 171.54 2rqa s LYS 605 N -3.48 1.79 0.36 3.25 -2.85 -0.93 -3.99 119.74 113.89 2rqa s LYS 605 Ca 0.17 -1.87 -0.26 0.00 -1.00 0.00 0.00 55.97 53.01 2rqa s LYS 605 Cb -0.04 -1.75 -0.09 0.00 -2.06 0.00 0.00 37.83 33.89 2rqa s LYS 605 CO 0.10 0.21 1.06 -1.25 0.10 0.00 0.00 175.35 175.57 2rqa s PRO 606 N -3.58 4.33 0.00 1.78 0.04 -1.26 -2.11 135.00 134.19 2rqa s PRO 606 Ca 0.32 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2rqa s PRO 606 Cb -0.00 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2rqa s PRO 606 CO 0.16 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.60 2rqa n GLY 607 N 0.65 0.31 3.54 0.56 0.00 0.41 -4.82 105.19 105.84 2rqa n GLY 607 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.48 -0.46 0.25 -0.02 0.00 -1.21 -4.38 107.32 100.02 2rqa s GLY 608 Ca 0.00 1.58 -0.31 0.00 0.00 0.00 0.00 44.72 45.99 2rqa s GLY 608 CO 0.00 0.98 1.58 -0.62 0.00 0.00 0.00 173.10 175.04 2rqa n VAL 609 N 0.83 0.69 -4.00 1.40 0.31 -1.26 0.93 118.33 117.23 2rqa n VAL 609 Ca -0.16 -0.17 -0.31 0.00 -0.01 0.00 0.00 64.34 63.69 2rqa n VAL 609 Cb 0.57 -1.82 -0.06 0.00 -0.91 0.00 0.00 33.84 31.63 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 0.32 4.89 -0.05 2.52 1.01 0.12 -0.44 121.20 129.57 2rqa s ILE 610 Ca 0.69 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 60.62 2rqa s ILE 610 Cb -0.55 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 38.58 2rqa s ILE 610 CO 0.44 0.15 0.31 -0.55 0.00 0.00 0.00 174.94 175.29 2rqa s SER 611 N -2.39 -0.24 -0.06 3.58 0.15 -1.24 -0.37 113.70 113.13 2rqa s SER 611 Ca 0.31 0.29 -0.30 0.00 0.70 0.00 0.00 55.95 56.95 2rqa s SER 611 Cb -0.12 0.44 -0.06 0.00 -1.71 0.00 0.00 66.02 64.57 2rqa s SER 611 CO 0.24 -0.32 1.69 0.00 1.20 0.00 0.00 173.24 176.04 2rqa h ARG 613 N 9.83 0.00 -0.08 0.00 2.43 -1.29 1.53 114.38 126.80 2rqa h ARG 613 Ca -0.40 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.65 2rqa h ARG 613 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2rqa h ARG 613 CO 0.96 0.28 -0.49 -0.91 -1.51 0.00 0.00 179.97 178.30 2rqa h ASN 614 N 0.00 0.21 0.00 -3.80 2.35 -1.89 -3.42 115.58 109.03 2rqa h ASN 614 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2rqa h ASN 614 Cb 0.86 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.17 2rqa h ASN 614 CO 0.04 0.67 0.00 0.00 -1.65 0.00 0.00 177.43 176.48 2rqa n GLY 616 N 2.55 0.43 3.39 0.00 0.00 0.52 -4.94 105.19 107.14 2rqa n GLY 616 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.43 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 0.30 -1.56 1.61 4.07 -1.26 -3.65 120.64 120.15 2rqa n GLU 617 Ca 0.00 0.09 -0.43 0.00 -0.06 0.00 0.00 57.16 56.75 2rqa n GLU 617 Cb 0.00 -1.74 -0.01 0.00 -0.06 0.00 0.00 31.44 29.64 2rqa n GLU 617 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2rqa n VAL 618 N 6.18 2.07 -0.07 6.31 0.31 -1.26 -1.84 118.33 130.02 2rqa n VAL 618 Ca 0.47 -0.50 -0.07 0.00 -0.01 0.00 0.00 64.34 64.23 2rqa n VAL 618 Cb 0.02 -0.90 -0.11 0.00 -0.91 0.00 0.00 33.84 31.95 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 -0.15 0.00 0.00 3.52 8.01 0.50 -4.82 117.44 124.50 2rqa n TRP 619 Ca 0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 2rqa n TRP 619 Cb 0.35 -0.68 0.00 0.00 -2.01 0.00 0.00 31.31 28.97 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 2.21 0.01 3.24 6.99 0.00 -1.12 -2.98 105.19 113.53 2rqa n GLY 620 Ca -0.23 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 1.34 -0.11 0.99 -0.00 -1.18 0.10 118.68 119.81 2rqa s LEU 621 Ca 0.00 -0.79 -0.13 0.00 -0.00 0.00 0.00 54.13 53.21 2rqa s LEU 621 Cb 0.00 0.99 -0.05 0.00 -0.00 0.00 0.00 46.19 47.13 2rqa s LEU 621 CO 0.00 -0.78 0.30 -1.58 -0.00 0.00 0.00 176.35 174.29 2rqa s GLN 622 N -3.92 4.02 0.12 1.48 0.74 0.27 -0.81 119.66 121.56 2rqa s GLN 622 Ca 0.11 0.15 0.09 0.00 0.05 0.00 0.00 55.36 55.75 2rqa s GLN 622 Cb 0.05 -3.33 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 2rqa s GLN 622 CO -0.06 0.45 -0.17 -1.64 -0.55 0.00 0.00 175.29 173.33 2rqa s MET 623 N -0.20 1.83 -0.19 1.67 -1.94 0.12 0.15 119.30 120.74 2rqa s MET 623 Ca 0.18 -1.17 0.01 0.00 -1.71 0.00 0.00 55.69 53.00 2rqa s MET 623 Cb -0.14 -2.13 0.02 0.00 2.01 0.00 0.00 34.83 34.59 2rqa s MET 623 CO 0.07 0.48 -0.18 0.42 -0.01 0.00 0.00 175.02 175.80 2rqa s ILE 624 N -1.19 2.19 -0.23 2.53 1.09 -0.90 -0.30 121.20 124.40 2rqa s ILE 624 Ca 0.19 -0.97 0.01 0.00 -1.10 0.00 0.00 60.65 58.78 2rqa s ILE 624 Cb -0.10 -1.96 0.05 0.00 -1.06 0.00 0.00 42.46 39.39 2rqa s ILE 624 CO 0.11 0.47 -0.09 -0.47 -0.10 0.00 0.00 174.94 174.87 2rqa s TYR 625 N 1.29 2.65 -1.98 3.97 5.04 -1.01 -2.19 117.35 125.11 2rqa s TYR 625 Ca 0.04 -1.87 0.00 0.00 -2.44 0.00 0.00 57.07 52.80 2rqa s TYR 625 Cb -0.14 -1.70 0.00 0.00 0.35 0.00 0.00 41.96 40.47 2rqa s TYR 625 CO -0.11 -0.80 0.00 1.63 -1.34 0.00 0.00 175.55 174.93 2rqa n LYS 626 N 4.61 -1.35 -1.76 4.97 4.76 -1.26 -1.59 118.16 126.53 2rqa n LYS 626 Ca -0.13 1.14 0.00 0.00 -2.87 0.00 0.00 58.31 56.45 2rqa n LYS 626 Cb 0.44 -5.48 0.00 0.00 -1.84 0.00 0.00 35.03 28.15 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 -1.15 -1.46 -3.88 4.39 3.41 -1.26 -5.06 113.62 108.60 2rqa n SER 627 Ca -0.20 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.12 2rqa n SER 627 Cb 0.63 -0.37 -0.16 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.68 1.29 -0.59 -3.33 1.01 -0.62 -5.07 120.40 110.41 2rqa s VAL 628 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.52 2rqa s VAL 628 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2rqa s VAL 628 CO 0.00 -0.24 2.06 -0.54 0.00 0.00 0.00 175.10 176.38 2rqa s LYS 629 N 1.48 2.42 -0.25 2.72 -0.14 -1.26 -2.42 119.74 122.30 2rqa s LYS 629 Ca -0.02 0.82 0.01 0.00 -1.36 0.00 0.00 55.97 55.43 2rqa s LYS 629 Cb -0.18 -4.49 0.05 0.00 -1.68 0.00 0.00 37.83 31.52 2rqa s LYS 629 CO -0.09 -2.99 -0.11 -0.51 -0.76 0.00 0.00 175.35 170.89 2rqa s LEU 630 N 10.29 3.21 0.42 3.17 1.43 0.60 -4.88 118.68 132.92 2rqa s LEU 630 Ca 0.78 -1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 52.49 2rqa s LEU 630 Cb -0.14 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 2rqa s LEU 630 CO 0.21 -0.15 1.05 -2.16 0.23 0.00 0.00 176.35 175.53 2rqa s PRO 631 N 1.19 4.06 -0.30 1.29 0.04 -1.26 -0.70 135.00 139.32 2rqa s PRO 631 Ca -0.04 1.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 2rqa s PRO 631 Cb -0.18 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 31.97 2rqa s PRO 631 CO -0.06 -0.23 0.04 0.08 0.04 0.00 0.00 177.00 176.87 2rqa s VAL 632 N -1.73 3.41 0.44 -0.36 1.01 0.01 -3.65 120.40 119.52 2rqa s VAL 632 Ca 0.60 -1.10 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2rqa s VAL 632 Cb -0.21 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2rqa s VAL 632 CO 0.26 -0.03 0.24 -0.76 0.00 0.00 0.00 175.10 174.81 2rqa s LEU 633 N 1.36 3.07 0.54 3.92 2.01 -1.25 -3.13 118.68 125.20 2rqa s LEU 633 Ca -0.02 -1.07 0.03 0.00 0.01 0.00 0.00 54.13 53.09 2rqa s LEU 633 Cb -0.19 -1.48 0.02 0.00 0.01 0.00 0.00 46.19 44.56 2rqa s LEU 633 CO 0.00 -0.66 0.23 -1.59 1.01 0.00 0.00 176.35 175.34 2rqa s LYS 634 N -4.00 2.23 -0.18 1.70 -2.85 -1.16 -4.76 119.74 110.72 2rqa s LYS 634 Ca 0.40 -2.22 -0.08 0.00 -1.00 0.00 0.00 55.97 53.07 2rqa s LYS 634 Cb 0.02 -1.84 -0.21 0.00 -2.06 0.00 0.00 37.83 33.74 2rqa s LYS 634 CO 0.22 -0.54 0.12 1.55 0.10 0.00 0.00 175.35 176.81 2rqa n VAL 635 N -1.57 1.65 0.19 1.79 3.14 -1.26 -2.93 118.33 119.33 2rqa n VAL 635 Ca -0.10 -0.51 0.12 0.00 -2.96 0.00 0.00 64.34 60.89 2rqa n VAL 635 Cb 0.66 -1.72 0.64 0.00 -1.06 0.00 0.00 33.84 32.35 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 -0.22 0.00 0.00 1.45 0.11 -1.55 0.36 114.38 114.53 2rqa h ARG 636 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2rqa h ARG 636 Cb 1.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.92 2rqa h ARG 636 CO -0.05 0.00 -1.21 0.45 0.10 0.00 0.00 179.97 179.26 2rqa n SER 637 N -2.34 1.17 -4.51 0.08 2.88 -1.26 -4.85 113.62 104.79 2rqa n SER 637 Ca -0.02 -0.40 -0.34 0.00 -1.33 0.00 0.00 58.87 56.79 2rqa n SER 637 Cb 0.08 1.36 -0.12 0.00 -0.75 0.00 0.00 64.21 64.78 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 -2.71 3.40 0.09 -1.46 -1.94 0.13 -2.71 119.30 114.10 2rqa s MET 638 Ca -0.00 -0.54 -0.01 0.00 -1.71 0.00 0.00 55.69 53.43 2rqa s MET 638 Cb 0.10 -2.81 -0.04 0.00 2.01 0.00 0.00 34.83 34.09 2rqa s MET 638 CO 0.60 0.36 0.27 -1.17 -0.01 0.00 0.00 175.02 175.07 2rqa s LEU 639 N 0.03 4.33 -0.55 -0.03 0.20 0.10 -4.63 118.68 118.13 2rqa s LEU 639 Ca -0.00 0.35 -0.02 0.00 0.69 0.00 0.00 54.13 55.15 2rqa s LEU 639 Cb -0.13 -3.06 0.14 0.00 -0.43 0.00 0.00 46.19 42.71 2rqa s LEU 639 CO 0.03 0.12 0.36 -0.76 -0.29 0.00 0.00 176.35 175.81 2rqa s LEU 640 N -2.62 5.19 -0.16 -0.68 2.01 -0.35 -2.32 118.68 119.75 2rqa s LEU 640 Ca 0.37 -2.61 -0.29 0.00 0.01 0.00 0.00 54.13 51.61 2rqa s LEU 640 Cb -0.13 -1.83 -0.02 0.00 0.01 0.00 0.00 46.19 44.22 2rqa s LEU 640 CO 0.27 -0.42 1.33 -1.61 1.01 0.00 0.00 176.35 176.94 2rqa s GLU 641 N 0.30 4.20 0.19 1.70 2.02 -1.15 -2.30 118.70 123.66 2rqa s GLU 641 Ca 0.14 1.71 0.07 0.00 0.02 0.00 0.00 54.97 56.92 2rqa s GLU 641 Cb -0.21 -3.81 -0.05 0.00 0.10 0.00 0.00 34.13 30.16 2rqa s GLU 641 CO -0.03 -0.77 -0.14 0.95 0.02 0.00 0.00 175.26 175.29 2rqa s THR 642 N 3.67 1.65 -2.00 3.63 -4.23 -1.25 -2.54 115.64 114.57 2rqa s THR 642 Ca 0.58 -2.18 0.20 0.00 -1.18 0.00 0.00 61.69 59.10 2rqa s THR 642 Cb -0.23 -2.01 0.56 0.00 1.34 0.00 0.00 72.50 72.16 2rqa s THR 642 CO 0.18 -0.62 1.61 -0.81 -0.54 0.00 0.00 174.62 174.44 2rqa n PRO 643 N -0.34 0.75 0.00 3.99 -0.04 -1.26 -1.94 135.00 136.16 2rqa n PRO 643 Ca -0.08 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2rqa n PRO 643 Cb 0.60 -1.41 -0.01 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.91 2.12 0.00 0.54 6.02 -1.26 -5.07 117.38 118.82 2rqa n GLN 644 Ca 0.15 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 2rqa n GLN 644 Cb 0.07 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.18 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 1.04 4.05 3.72 1.08 0.00 -0.82 -4.94 105.19 109.33 2rqa n GLY 645 Ca 0.05 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.14 1.67 -4.11 1.61 1.74 -1.26 -3.88 116.66 111.30 2rqa n ARG 646 Ca 0.00 0.61 -0.16 0.00 -0.77 0.00 0.00 57.85 57.53 2rqa n ARG 646 Cb 0.00 -2.48 -0.15 0.00 -1.02 0.00 0.00 32.46 28.81 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 -1.29 0.37 -0.20 0.55 1.01 -0.97 -4.95 121.20 115.71 2rqa s ILE 647 Ca 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.17 2rqa s ILE 647 Cb -0.44 -0.34 0.06 0.00 0.01 0.00 0.00 42.46 41.74 2rqa s ILE 647 CO 0.51 0.13 0.01 -1.58 0.00 0.00 0.00 174.94 174.01 2rqa s GLN 648 N 0.17 0.95 0.34 2.79 -0.44 -1.26 -1.21 119.66 121.00 2rqa s GLN 648 Ca -0.02 -0.57 0.07 0.00 -2.50 0.00 0.00 55.36 52.35 2rqa s GLN 648 Cb -0.05 -2.21 -0.03 0.00 -1.64 0.00 0.00 33.01 29.08 2rqa s GLN 648 CO -0.00 -0.61 0.30 0.00 0.50 0.00 0.00 175.29 175.47 2rqa s ALA 649 N 1.73 3.86 -0.19 1.58 0.00 -1.26 -5.05 121.76 122.42 2rqa s ALA 649 Ca -0.02 -1.68 0.04 0.00 0.00 0.00 0.00 51.96 50.30 2rqa s ALA 649 Cb -0.17 -1.15 -0.14 0.00 0.00 0.00 0.00 23.12 21.65 2rqa s ALA 649 CO -0.07 -0.02 -0.14 1.63 0.00 0.00 0.00 175.76 177.16 2rqa n LYS 650 N -1.39 0.66 -4.42 0.00 4.01 -1.26 -2.50 118.16 113.25 2rqa n LYS 650 Ca -0.01 0.09 -0.32 0.00 -0.51 0.00 0.00 58.31 57.57 2rqa n LYS 650 Cb 0.60 -1.40 -0.10 0.00 -0.51 0.00 0.00 35.03 33.62 2rqa n LYS 650 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2rqa s LYS 651 N -2.40 2.45 0.01 1.97 3.01 -1.26 -3.62 119.74 119.91 2rqa s LYS 651 Ca -0.24 -0.79 0.14 0.00 -1.01 0.00 0.00 55.97 54.07 2rqa s LYS 651 Cb 0.07 -2.45 0.58 0.00 -1.01 0.00 0.00 37.83 35.02 2rqa s LYS 651 CO 0.49 0.58 1.44 0.91 0.51 0.00 0.00 175.35 179.28 2rqa n TRP 652 N 1.38 0.05 0.33 3.18 7.02 -1.26 -1.44 117.44 126.69 2rqa n TRP 652 Ca -0.15 0.02 0.15 0.00 -1.02 0.00 0.00 57.50 56.50 2rqa n TRP 652 Cb 0.52 -0.53 0.57 0.00 -2.42 0.00 0.00 31.31 29.46 2rqa n TRP 652 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2rqa h SER 653 N 0.00 0.00 0.00 -0.99 0.87 -2.02 -2.68 113.55 108.74 2rqa h SER 653 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2rqa h SER 653 Cb 0.23 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2rqa h SER 653 CO 0.00 0.00 -2.02 0.54 -0.53 0.00 0.00 176.83 174.82 2rqa n ARG 654 N -2.80 0.66 -1.57 2.24 5.12 -0.52 -4.98 116.66 114.81 2rqa n ARG 654 Ca 0.02 -0.17 -0.61 0.00 -1.93 0.00 0.00 57.85 55.15 2rqa n ARG 654 Cb 0.31 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.02 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 -2.30 0.00 -0.04 1.55 0.31 -1.01 -4.86 118.33 111.98 2rqa n VAL 655 Ca -0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.12 2rqa n VAL 655 Cb 0.63 -0.15 -0.11 0.00 -0.91 0.00 0.00 33.84 33.30 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 3.60 -0.01 -7.28 5.55 0.13 -1.91 -3.46 132.00 128.61 2rqa h PRO 656 Ca -0.48 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.13 2rqa h PRO 656 Cb 1.40 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.69 2rqa h PRO 656 CO 0.75 0.72 0.29 -0.59 -0.23 0.00 0.00 178.00 178.93 2rqa s PHE 657 N -3.20 2.15 0.24 1.56 -0.71 -1.24 -4.70 117.98 112.07 2rqa s PHE 657 Ca -0.17 1.66 -0.10 0.00 -1.04 0.00 0.00 56.93 57.28 2rqa s PHE 657 Cb -0.01 -3.20 -0.07 0.00 -1.21 0.00 0.00 43.02 38.53 2rqa s PHE 657 CO 0.67 -2.26 0.57 -1.12 -1.34 0.00 0.00 175.22 171.73 2rqa s SER 658 N -2.98 6.64 -0.35 1.98 0.01 -1.26 -4.99 113.70 112.75 2rqa s SER 658 Ca 0.64 0.96 -0.00 0.00 1.31 0.00 0.00 55.95 58.86 2rqa s SER 658 Cb -0.20 -2.24 0.12 0.00 0.21 0.00 0.00 66.02 63.90 2rqa s SER 658 CO 0.56 -0.09 0.16 -0.69 0.41 0.00 0.00 173.24 173.59 2rqa s VAL 659 N -1.84 0.72 0.45 3.43 1.01 -1.26 -4.80 120.40 118.11 2rqa s VAL 659 Ca 0.48 -1.67 -0.22 0.00 0.00 0.00 0.00 61.98 60.58 2rqa s VAL 659 Cb -0.11 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 2rqa s VAL 659 CO 0.21 -0.81 1.04 -2.16 0.00 0.00 0.00 175.10 173.39 2rqa s PRO 660 N 1.25 3.94 0.86 2.72 0.04 -1.26 -4.22 135.00 138.33 2rqa s PRO 660 Ca 0.13 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.49 2rqa s PRO 660 Cb -0.20 -2.27 0.11 0.00 0.04 0.00 0.00 34.50 32.18 2rqa s PRO 660 CO -0.15 -0.32 1.13 0.16 0.04 0.00 0.00 177.00 177.86 2rqa s ASP 661 N -1.81 3.48 1.00 6.66 -4.77 -1.26 0.51 116.67 120.48 2rqa s ASP 661 Ca 0.64 2.06 -0.19 0.00 -3.30 0.00 0.00 52.55 51.76 2rqa s ASP 661 Cb -0.19 -2.55 -0.15 0.00 -1.09 0.00 0.00 42.92 38.94 2rqa s ASP 661 CO 0.23 -2.73 -0.90 0.33 0.70 0.00 0.00 175.17 172.80 2rqa n PHE 662 N -3.98 -4.37 -3.58 2.11 7.35 0.26 -4.52 117.46 110.73 2rqa n PHE 662 Ca 0.11 0.10 -0.27 0.00 -0.76 0.00 0.00 57.45 56.63 2rqa n PHE 662 Cb 0.52 -1.43 -0.11 0.00 0.35 0.00 0.00 39.48 38.81 2rqa n PHE 662 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2rqa n ASP 663 N 3.29 1.08 0.22 -2.13 -0.08 -1.26 -4.93 116.55 112.74 2rqa n ASP 663 Ca -0.02 -2.76 0.18 0.00 -1.51 0.00 0.00 54.79 50.68 2rqa n ASP 663 Cb 0.60 -0.64 0.82 0.00 2.34 0.00 0.00 41.12 44.23 2rqa n ASP 663 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2rqa h PHE 664 N 5.38 0.00 0.12 -0.67 3.57 -1.97 0.44 116.94 123.80 2rqa h PHE 664 Ca 0.21 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2rqa h PHE 664 Cb 0.84 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.58 2rqa h PHE 664 CO 0.45 0.00 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.41 2rqa h LEU 665 N 0.00 -0.13 0.60 0.59 3.38 -1.98 -2.24 115.31 115.54 2rqa h LEU 665 Ca 0.09 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2rqa h LEU 665 Cb 0.75 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.54 2rqa h LEU 665 CO -0.00 0.46 -0.29 -0.61 0.09 0.00 0.00 178.44 178.09 2rqa h GLN 666 N -0.82 -0.78 -0.90 1.13 4.15 -1.53 0.65 115.11 117.02 2rqa h GLN 666 Ca -0.02 0.05 0.24 0.00 0.77 0.00 0.00 58.65 59.70 2rqa h GLN 666 Cb 0.56 0.18 -0.15 0.00 0.21 0.00 0.00 27.48 28.27 2rqa h GLN 666 CO 0.03 -0.52 0.15 1.25 -1.93 0.00 0.00 178.83 177.81 2rqa h HIS 667 N -1.21 0.19 -0.28 3.99 2.76 -0.37 1.20 115.15 121.42 2rqa h HIS 667 Ca -0.08 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 2rqa h HIS 667 Cb 0.63 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 2rqa h HIS 667 CO 0.00 -0.29 0.04 0.00 -1.30 0.00 0.00 177.93 176.38 2rqa n ALA 669 N -2.33 1.37 -0.02 0.00 0.00 0.32 -0.02 120.51 119.83 2rqa n ALA 669 Ca -0.03 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2rqa n ALA 669 Cb 0.21 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 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 0.69 0.04 0.00 -0.58 0.33 -3.38 120.64 116.00 2rqa n GLU 670 Ca 0.01 -0.13 -0.03 0.00 -0.42 0.00 0.00 57.16 56.59 2rqa n GLU 670 Cb 0.11 -1.42 -0.09 0.00 -0.57 0.00 0.00 31.44 29.47 2rqa n GLU 670 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2rqa h ASN 671 N 0.00 0.00 0.00 1.62 -0.26 0.22 -3.40 115.58 113.77 2rqa h ASN 671 Ca -0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 2rqa h ASN 671 Cb 1.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 2rqa h ASN 671 CO 0.00 0.74 -0.03 -0.07 -1.06 0.00 0.00 177.43 177.02 2rqa h LEU 672 N 0.00 0.00 0.00 1.61 3.38 -0.64 -3.48 115.31 116.18 2rqa h LEU 672 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2rqa h LEU 672 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2rqa h LEU 672 CO 0.07 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.13 2rqa n SER 673 N -2.42 -1.08 0.21 -0.43 3.41 -1.22 -4.88 113.62 107.21 2rqa n SER 673 Ca -0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 2rqa n SER 673 Cb 0.02 -0.18 0.71 0.00 -0.26 0.00 0.00 64.21 64.50 2rqa n SER 673 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2rqa h ASP 674 N 0.00 0.00 0.11 4.04 3.58 -1.93 -2.64 116.42 119.58 2rqa h ASP 674 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2rqa h ASP 674 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2rqa h ASP 674 CO 0.00 0.00 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.24 2rqa h LEU 675 N 0.00 -0.12 -7.00 2.28 -0.00 -1.90 -3.49 115.31 105.08 2rqa h LEU 675 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 58.02 2rqa h LEU 675 Cb 0.08 0.03 -0.29 0.00 -0.00 0.00 0.00 40.66 40.48 2rqa h LEU 675 CO 0.00 -0.04 0.69 -0.44 -0.00 0.00 0.00 178.44 178.66 2rqa s SER 676 N -2.97 -0.23 -0.17 -0.43 0.01 -1.00 -5.06 113.70 103.85 2rqa s SER 676 Ca -0.02 0.42 -0.19 0.00 1.31 0.00 0.00 55.95 57.47 2rqa s SER 676 Cb 0.00 0.41 -0.22 0.00 0.21 0.00 0.00 66.02 66.42 2rqa s SER 676 CO 0.06 -0.10 0.34 -0.07 0.41 0.00 0.00 173.24 173.88 2rqa h LEU 677 N 3.40 0.13 0.00 2.44 4.07 -1.95 -3.47 115.31 119.93 2rqa h LEU 677 Ca -0.25 -0.68 0.00 0.00 0.08 0.00 0.00 57.88 57.03 2rqa h LEU 677 Cb 1.18 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.88 2rqa h LEU 677 CO 0.17 1.54 0.00 -0.67 -1.08 0.00 0.00 178.44 178.40