#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqa s PRO 543 N 0.00 2.15 0.87 1.61 0.04 -1.26 -5.03 135.00 133.39 2rqa s PRO 543 Ca 0.00 0.67 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 2rqa s PRO 543 Cb 0.00 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.73 2rqa s PRO 543 CO 0.00 -1.58 1.11 -1.01 0.04 0.00 0.00 177.00 175.56 2rqa s HIS 544 N -3.15 2.12 -0.57 0.56 3.76 -1.26 -4.99 115.29 111.76 2rqa s HIS 544 Ca 0.61 1.56 0.06 0.00 -0.15 0.00 0.00 55.06 57.14 2rqa s HIS 544 Cb -0.14 -3.17 0.28 0.00 1.11 0.00 0.00 32.58 30.66 2rqa s HIS 544 CO 0.54 -2.40 0.77 -1.33 -0.85 0.00 0.00 174.74 171.48 2rqa n MET 545 N -3.93 2.35 -5.20 1.40 0.00 -1.26 -5.06 117.12 105.42 2rqa n MET 545 Ca 0.09 -4.42 -0.30 0.00 0.00 0.00 0.00 57.70 53.07 2rqa n MET 545 Cb 0.53 -2.06 -0.16 0.00 0.00 0.00 0.00 33.22 31.53 2rqa n MET 545 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2rqa s GLN 546 N -2.57 2.04 -0.29 0.03 -0.21 -1.26 -5.10 119.66 112.29 2rqa s GLN 546 Ca 0.42 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 54.98 2rqa s GLN 546 Cb 0.20 -1.92 0.19 0.00 1.00 0.00 0.00 33.01 32.49 2rqa s GLN 546 CO -0.07 0.49 0.57 -0.06 -2.12 0.00 0.00 175.29 174.11 2rqa s PHE 547 N -0.48 -1.75 0.29 0.91 0.40 -1.26 -4.96 117.98 111.13 2rqa s PHE 547 Ca 0.07 1.13 -0.29 0.00 -0.60 0.00 0.00 56.93 57.24 2rqa s PHE 547 Cb -0.10 0.32 -0.09 0.00 0.51 0.00 0.00 43.02 43.66 2rqa s PHE 547 CO -0.00 -1.04 1.08 -1.25 0.70 0.00 0.00 175.22 174.70 2rqa s PRO 548 N 2.81 4.61 0.21 0.24 0.04 -1.26 -3.87 135.00 137.78 2rqa s PRO 548 Ca 0.12 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.80 2rqa s PRO 548 Cb -0.11 -3.13 0.29 0.00 0.04 0.00 0.00 34.50 31.59 2rqa s PRO 548 CO -0.25 0.21 1.72 -0.39 0.04 0.00 0.00 177.00 178.32 2rqa h VAL 549 N 3.00 0.68 -0.25 -0.36 -1.51 -1.86 0.88 116.25 116.84 2rqa h VAL 549 Ca -0.47 -0.10 0.07 0.00 -1.23 0.00 0.00 66.70 64.97 2rqa h VAL 549 Cb 1.21 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 2rqa h VAL 549 CO 0.66 0.06 0.35 1.05 -1.23 0.00 0.00 177.57 178.46 2rqa h GLU 550 N 0.31 0.00 0.00 5.19 4.11 -1.92 0.45 114.58 122.72 2rqa h GLU 550 Ca 0.31 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.60 2rqa h GLU 550 Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2rqa h GLU 550 CO -0.37 0.00 -2.01 0.72 0.07 0.00 0.00 179.01 177.42 2rqa n HIS 551 N -3.52 0.18 -3.07 2.06 8.25 0.21 -4.87 115.22 114.46 2rqa n HIS 551 Ca 0.04 0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 57.15 2rqa n HIS 551 Cb 0.48 -0.77 -0.06 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 -3.08 4.98 0.41 1.59 1.01 0.25 -4.62 120.40 120.93 2rqa s VAL 552 Ca -0.08 1.24 0.08 0.00 0.00 0.00 0.00 61.98 63.22 2rqa s VAL 552 Cb 0.10 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2rqa s VAL 552 CO 0.86 0.05 0.35 -1.58 0.00 0.00 0.00 175.10 174.79 2rqa s GLN 553 N 2.26 2.51 -0.39 2.72 0.74 -1.25 -0.44 119.66 125.82 2rqa s GLN 553 Ca 0.29 -1.55 -0.08 0.00 0.05 0.00 0.00 55.36 54.06 2rqa s GLN 553 Cb -0.16 -2.34 0.06 0.00 1.10 0.00 0.00 33.01 31.67 2rqa s GLN 553 CO 0.09 -0.17 0.21 -0.51 -0.55 0.00 0.00 175.29 174.36 2rqa s LEU 554 N -4.10 4.88 0.39 3.68 1.43 -1.19 -3.88 118.68 119.88 2rqa s LEU 554 Ca 0.47 -1.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 2rqa s LEU 554 Cb -0.03 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 2rqa s LEU 554 CO 0.27 -0.46 0.03 -0.76 0.23 0.00 0.00 176.35 175.66 2rqa s LEU 555 N 1.41 2.60 -0.39 1.79 1.02 -1.01 0.48 118.68 124.59 2rqa s LEU 555 Ca 0.02 -1.39 -0.13 0.00 0.02 0.00 0.00 54.13 52.65 2rqa s LEU 555 Cb -0.22 -0.71 0.02 0.00 0.02 0.00 0.00 46.19 45.31 2rqa s LEU 555 CO 0.02 -0.53 0.25 0.00 0.02 0.00 0.00 176.35 176.11 2rqa n ILE 557 N 5.07 -0.07 -0.02 0.00 -5.35 -1.05 0.31 119.36 118.25 2rqa n ILE 557 Ca -0.11 1.32 -0.01 0.00 -0.27 0.00 0.00 62.75 63.67 2rqa n ILE 557 Cb 0.46 -2.18 -0.00 0.00 -1.74 0.00 0.00 39.64 36.18 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 0.77 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 58.25 2rqa h ASN 558 Cb 2.90 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 40.10 2rqa h ASN 558 CO -0.13 0.20 -0.22 0.00 -1.29 0.00 0.00 177.43 176.00 2rqa n MET 560 N -3.80 -4.72 -0.11 0.00 2.81 0.91 -4.85 117.12 107.36 2rqa n MET 560 Ca -0.07 0.50 0.04 0.00 -1.81 0.00 0.00 57.70 56.35 2rqa n MET 560 Cb 0.24 -4.53 0.09 0.00 -0.71 0.00 0.00 33.22 28.31 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 -3.91 1.15 -1.87 2.03 0.24 -1.26 -4.82 118.33 109.89 2rqa n VAL 561 Ca -0.01 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.14 2rqa n VAL 561 Cb 0.54 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 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 -0.16 -2.29 0.17 2.33 0.00 -1.26 -4.97 120.51 114.33 2rqa n ALA 562 Ca 0.07 0.35 0.06 0.00 0.00 0.00 0.00 53.44 53.93 2rqa n ALA 562 Cb 0.39 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 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 1.35 0.00 -0.11 0.00 0.24 0.18 -4.94 118.33 115.05 2rqa n VAL 563 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2rqa n VAL 563 Cb 0.00 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 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 1.64 3.78 3.25 7.63 0.00 -0.73 -4.72 105.19 116.04 2rqa n GLY 564 Ca -0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.02 -0.14 -2.15 1.61 0.09 -1.26 -3.15 115.29 110.27 2rqa s HIS 565 Ca 0.00 0.10 0.30 0.00 -0.00 0.00 0.00 55.06 55.45 2rqa s HIS 565 Cb 0.00 0.11 1.39 0.00 -0.00 0.00 0.00 32.58 34.08 2rqa s HIS 565 CO 0.00 -0.47 1.94 0.41 -0.00 0.00 0.00 174.74 176.62 2rqa n GLY 566 N 0.81 -0.54 0.39 -2.22 0.00 0.42 -3.12 105.19 100.94 2rqa n GLY 566 Ca -0.20 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.47 1.95 -0.00 1.61 3.41 -1.24 -4.41 113.62 114.47 2rqa n SER 567 Ca 0.20 -1.50 0.05 0.00 -0.26 0.00 0.00 58.87 57.36 2rqa n SER 567 Cb 0.25 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.09 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 2.43 -4.84 4.04 10.43 -1.18 -4.96 116.55 122.94 2rqa n ASP 568 Ca 0.06 -0.09 -0.32 0.00 2.57 0.00 0.00 54.79 57.02 2rqa n ASP 568 Cb 0.26 1.40 0.00 0.00 1.84 0.00 0.00 41.12 44.63 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 -3.55 3.39 0.00 0.64 0.05 -1.18 -4.03 118.68 114.00 2rqa s LEU 569 Ca -0.03 1.59 0.03 0.00 0.05 0.00 0.00 54.13 55.78 2rqa s LEU 569 Cb 0.07 -4.50 -0.01 0.00 -2.05 0.00 0.00 46.19 39.69 2rqa s LEU 569 CO 0.42 -0.97 0.13 0.54 -0.55 0.00 0.00 176.35 175.92 2rqa n ARG 570 N -2.31 0.61 -4.46 1.48 3.00 -0.81 -4.77 116.66 109.40 2rqa n ARG 570 Ca 0.07 -2.59 -0.25 0.00 -0.01 0.00 0.00 57.85 55.07 2rqa n ARG 570 Cb 0.54 1.52 -0.11 0.00 0.00 0.00 0.00 32.46 34.41 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 -3.15 1.63 -0.26 5.56 2.20 0.42 -1.81 119.74 124.34 2rqa s LYS 571 Ca 0.18 -1.70 -0.01 0.00 -0.36 0.00 0.00 55.97 54.08 2rqa s LYS 571 Cb 0.01 -1.79 0.08 0.00 -1.51 0.00 0.00 37.83 34.62 2rqa s LYS 571 CO 0.13 0.35 0.06 0.08 -0.36 0.00 0.00 175.35 175.60 2rqa s VAL 572 N -2.27 0.87 -1.74 4.02 1.01 -1.26 0.19 120.40 121.23 2rqa s VAL 572 Ca 0.27 -1.12 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 2rqa s VAL 572 Cb -0.06 -1.50 0.22 0.00 0.00 0.00 0.00 36.38 35.04 2rqa s VAL 572 CO 0.13 -0.45 0.55 -1.84 0.00 0.00 0.00 175.10 173.50 2rqa n GLU 573 N 4.88 -0.80 -4.27 2.72 0.28 -1.26 0.50 120.64 122.70 2rqa n GLU 573 Ca -0.06 0.13 -0.31 0.00 -0.16 0.00 0.00 57.16 56.76 2rqa n GLU 573 Cb 0.44 -4.47 -0.08 0.00 1.43 0.00 0.00 31.44 28.75 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 -1.01 -0.18 0.56 -1.84 0.00 -1.26 -4.83 105.19 96.63 2rqa n GLY 574 Ca 0.11 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.60 0.82 -3.15 2.61 -1.04 0.18 -5.02 114.28 104.08 2rqa n THR 575 Ca -0.31 -0.17 0.04 0.00 -2.04 0.00 0.00 64.05 61.57 2rqa n THR 575 Cb 0.69 -1.71 -0.01 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 -2.27 -1.40 0.08 -1.42 3.76 -1.25 -5.06 115.29 107.72 2rqa s HIS 576 Ca -0.20 1.24 -0.36 0.00 -0.15 0.00 0.00 55.06 55.60 2rqa s HIS 576 Cb 0.07 0.40 -0.19 0.00 1.11 0.00 0.00 32.58 33.98 2rqa s HIS 576 CO 0.25 -0.78 0.92 0.72 -0.85 0.00 0.00 174.74 175.00 2rqa n HIS 577 N 5.41 0.39 -3.85 1.40 -0.00 -1.26 -4.47 115.22 112.83 2rqa n HIS 577 Ca 0.00 0.98 -0.29 0.00 -0.00 0.00 0.00 57.72 58.41 2rqa n HIS 577 Cb 0.53 -2.08 -0.16 0.00 -0.00 0.00 0.00 29.99 28.28 2rqa n HIS 577 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2rqa s VAL 578 N -0.31 1.12 -0.52 1.59 -7.23 -0.75 -3.85 120.40 110.45 2rqa s VAL 578 Ca 0.81 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 59.72 2rqa s VAL 578 Cb -1.12 -1.50 0.03 0.00 0.56 0.00 0.00 36.38 34.36 2rqa s VAL 578 CO 0.56 -0.16 1.18 0.21 -0.31 0.00 0.00 175.10 176.58 2rqa s ASN 579 N 1.58 6.53 0.20 4.85 3.04 -1.17 -1.92 114.94 128.05 2rqa s ASN 579 Ca -0.03 0.33 -0.27 0.00 0.04 0.00 0.00 52.86 52.92 2rqa s ASN 579 Cb -0.18 -2.55 -0.08 0.00 -1.54 0.00 0.00 41.25 36.89 2rqa s ASN 579 CO -0.07 -1.37 0.85 -0.69 -3.04 0.00 0.00 177.10 172.78 2rqa s VAL 580 N 4.75 4.24 0.00 -5.21 1.01 -1.26 -4.23 120.40 119.71 2rqa s VAL 580 Ca 0.47 1.86 0.00 0.00 0.00 0.00 0.00 61.98 64.31 2rqa s VAL 580 Cb -0.08 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2rqa s VAL 580 CO 0.29 0.50 0.00 0.59 0.00 0.00 0.00 175.10 176.48 2rqa n ASN 581 N 1.50 0.00 0.08 3.32 5.03 -1.26 -4.53 115.26 119.40 2rqa n ASN 581 Ca -0.04 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.32 2rqa n ASN 581 Cb 0.48 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.25 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 0.26 -0.00 3.52 0.13 -1.96 -2.78 132.00 131.18 2rqa h PRO 582 Ca 0.00 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2rqa h PRO 582 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 2rqa h PRO 582 CO 0.00 0.95 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 2rqa n ASN 583 N -3.73 0.01 0.13 1.44 3.02 -1.26 -3.17 115.26 111.69 2rqa n ASN 583 Ca -0.04 -1.03 -0.02 0.00 -0.03 0.00 0.00 54.58 53.46 2rqa n ASN 583 Cb 0.76 -0.00 0.14 0.00 -0.61 0.00 0.00 39.78 40.07 2rqa n ASN 583 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2rqa h PHE 584 N 0.01 0.02 -0.08 3.10 3.57 -1.77 -2.86 116.94 118.93 2rqa h PHE 584 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2rqa h PHE 584 Cb 0.00 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2rqa h PHE 584 CO 0.00 0.67 0.12 0.66 -2.23 0.00 0.00 178.31 177.53 2rqa h SER 585 N 0.01 0.00 1.10 0.41 4.64 -1.71 0.70 113.55 118.69 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 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2rqa h SER 585 CO 0.09 0.00 -0.69 0.78 -0.87 0.00 0.00 176.83 176.14 2rqa h ASN 586 N 0.00 0.00 -0.25 4.97 -0.26 -1.75 -3.24 115.58 115.06 2rqa h ASN 586 Ca 0.04 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2rqa h ASN 586 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 2rqa h ASN 586 CO -0.00 0.04 0.00 -1.22 -1.06 0.00 0.00 177.43 175.19 2rqa n TYR 587 N -2.50 0.31 -3.47 1.19 4.01 0.24 -4.68 117.16 112.26 2rqa n TYR 587 Ca 0.02 -0.16 -0.10 0.00 -0.16 0.00 0.00 57.90 57.50 2rqa n TYR 587 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.51 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 -1.69 -0.43 -0.04 -0.72 -0.85 -0.70 -0.11 117.35 112.81 2rqa s TYR 588 Ca 0.34 0.27 0.01 0.00 -0.52 0.00 0.00 57.07 57.17 2rqa s TYR 588 Cb 0.19 0.55 0.02 0.00 0.38 0.00 0.00 41.96 43.10 2rqa s TYR 588 CO 0.28 -0.68 -0.02 -0.80 -1.52 0.00 0.00 175.55 172.81 2rqa s ASN 589 N -2.58 0.74 0.29 -0.18 0.01 -0.75 -4.64 114.94 107.83 2rqa s ASN 589 Ca 0.03 -0.08 -0.29 0.00 -0.71 0.00 0.00 52.86 51.81 2rqa s ASN 589 Cb -0.01 -0.35 -0.10 0.00 0.41 0.00 0.00 41.25 41.20 2rqa s ASN 589 CO -0.11 -0.08 1.15 -0.69 -1.51 0.00 0.00 177.10 175.87 2rqa s VAL 590 N 0.99 3.30 0.47 1.60 1.01 -1.26 -2.92 120.40 123.58 2rqa s VAL 590 Ca -0.10 1.31 -0.22 0.00 0.00 0.00 0.00 61.98 62.97 2rqa s VAL 590 Cb -0.14 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 2rqa s VAL 590 CO -0.01 0.31 0.76 -0.24 0.00 0.00 0.00 175.10 175.93 2rqa n SER 591 N 1.10 0.06 -0.35 3.32 2.88 -0.23 -4.82 113.62 115.58 2rqa n SER 591 Ca -0.01 0.91 -0.08 0.00 -1.33 0.00 0.00 58.87 58.36 2rqa n SER 591 Cb 0.44 -1.24 -0.07 0.00 -0.75 0.00 0.00 64.21 62.59 2rqa n SER 591 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2rqa n ARG 592 N 0.12 -0.34 -1.34 -1.46 1.85 -1.26 -4.39 116.66 109.84 2rqa n ARG 592 Ca 0.11 1.27 -0.35 0.00 -1.00 0.00 0.00 57.85 57.87 2rqa n ARG 592 Cb 0.42 -1.86 0.10 0.00 -1.05 0.00 0.00 32.46 30.06 2rqa n ARG 592 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2rqa n ASP 593 N -5.07 0.97 0.00 2.89 9.92 -1.26 -5.00 116.55 119.00 2rqa n ASP 593 Ca 0.03 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 54.96 2rqa n ASP 593 Cb 0.23 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.24 2rqa n ASP 593 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2rqa n PRO 594 N -2.34 0.00 -4.01 -0.24 -0.04 -1.26 -4.85 135.00 122.26 2rqa n PRO 594 Ca 0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.26 2rqa n PRO 594 Cb 0.49 -0.37 -0.15 0.00 -0.04 0.00 0.00 33.50 33.43 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 -0.12 2.73 -0.41 0.52 1.01 -1.22 -3.83 120.40 119.08 2rqa s VAL 595 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2rqa s VAL 595 Cb 0.00 -2.23 0.14 0.00 0.00 0.00 0.00 36.38 34.29 2rqa s VAL 595 CO 0.00 0.44 0.24 -0.69 0.00 0.00 0.00 175.10 175.09 2rqa s VAL 596 N 1.37 0.88 0.12 2.92 1.01 -1.26 -5.10 120.40 120.34 2rqa s VAL 596 Ca 0.04 -2.28 0.02 0.00 0.00 0.00 0.00 61.98 59.76 2rqa s VAL 596 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2rqa s VAL 596 CO -0.08 -0.96 -0.06 -0.63 0.00 0.00 0.00 175.10 173.38 2rqa s ILE 597 N 0.56 0.76 -0.05 2.22 -1.09 -1.26 -4.98 121.20 117.36 2rqa s ILE 597 Ca 0.19 -1.96 -0.21 0.00 -2.23 0.00 0.00 60.65 56.44 2rqa s ILE 597 Cb -0.21 -1.80 -0.16 0.00 -1.58 0.00 0.00 42.46 38.72 2rqa s ILE 597 CO -0.01 -0.78 0.86 0.78 -1.23 0.00 0.00 174.94 174.56 2rqa h ASN 598 N 2.88 -0.17 -1.29 3.58 2.35 -2.07 -3.47 115.58 117.39 2rqa h ASN 598 Ca -0.36 -0.36 -0.64 0.00 -0.55 0.00 0.00 56.30 54.39 2rqa h ASN 598 Cb 1.18 0.05 -0.13 0.00 0.05 0.00 0.00 38.32 39.46 2rqa h ASN 598 CO 0.64 0.39 -0.54 -1.59 -1.65 0.00 0.00 177.43 174.68 2rqa s LYS 599 N -3.37 2.07 0.19 0.81 0.00 -1.26 -5.16 119.74 113.02 2rqa s LYS 599 Ca -0.13 -2.28 0.11 0.00 0.00 0.00 0.00 55.97 53.67 2rqa s LYS 599 Cb 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 37.83 36.45 2rqa s LYS 599 CO 0.47 -0.31 -0.20 0.08 0.00 0.00 0.00 175.35 175.39 2rqa s VAL 600 N -2.93 2.60 0.33 1.79 1.01 -1.26 -4.95 120.40 116.99 2rqa s VAL 600 Ca 0.16 -1.91 0.07 0.00 0.00 0.00 0.00 61.98 60.31 2rqa s VAL 600 Cb 0.04 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2rqa s VAL 600 CO 0.09 -0.10 0.29 -0.36 0.00 0.00 0.00 175.10 175.01 2rqa s PHE 601 N -1.65 2.91 -0.15 5.22 0.40 -1.25 -5.07 117.98 118.38 2rqa s PHE 601 Ca 0.22 -0.30 -0.15 0.00 -0.60 0.00 0.00 56.93 56.09 2rqa s PHE 601 Cb -0.08 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.61 2rqa s PHE 601 CO 0.11 0.19 -0.30 1.17 0.70 0.00 0.00 175.22 177.09 2rqa n LYS 602 N -1.37 0.46 -0.54 0.44 4.81 -1.26 -4.39 118.16 116.30 2rqa n LYS 602 Ca -0.02 0.18 0.44 0.00 -0.87 0.00 0.00 58.31 58.04 2rqa n LYS 602 Cb 0.60 -1.30 0.73 0.00 0.02 0.00 0.00 35.03 35.07 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2rqa h ASP 603 N -0.86 0.14 -5.11 3.14 3.32 -1.98 -3.41 116.42 111.66 2rqa h ASP 603 Ca 0.00 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2rqa h ASP 603 Cb 0.86 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 2rqa h ASP 603 CO 0.00 -0.16 0.14 -1.66 -1.72 0.00 0.00 179.24 175.85 2rqa s TRP 604 N -5.13 0.19 0.24 4.55 -2.14 -1.26 -4.88 118.94 110.51 2rqa s TRP 604 Ca -0.07 -0.70 0.11 0.00 2.66 0.00 0.00 56.10 58.10 2rqa s TRP 604 Cb 0.29 0.58 -0.05 0.00 -3.10 0.00 0.00 33.47 31.20 2rqa s TRP 604 CO 0.85 -1.34 -0.18 -1.59 -2.66 0.00 0.00 176.95 172.03 2rqa s LYS 605 N -3.11 1.74 0.40 3.25 -2.85 -1.13 -3.79 119.74 114.25 2rqa s LYS 605 Ca 0.17 -1.59 -0.24 0.00 -1.00 0.00 0.00 55.97 53.32 2rqa s LYS 605 Cb -0.04 -1.89 -0.09 0.00 -2.06 0.00 0.00 37.83 33.75 2rqa s LYS 605 CO 0.11 0.37 1.06 -1.25 0.10 0.00 0.00 175.35 175.74 2rqa s PRO 606 N -3.16 4.14 0.00 1.78 0.04 -1.26 -2.41 135.00 134.12 2rqa s PRO 606 Ca 0.26 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2rqa s PRO 606 Cb -0.07 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2rqa s PRO 606 CO 0.14 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2rqa n GLY 607 N 0.33 0.37 3.58 0.56 0.00 0.40 -4.83 105.19 105.60 2rqa n GLY 607 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.40 -0.53 -0.02 -0.02 0.00 -1.19 -3.38 107.32 101.78 2rqa s GLY 608 Ca 0.00 1.76 -0.35 0.00 0.00 0.00 0.00 44.72 46.13 2rqa s GLY 608 CO 0.00 1.39 1.71 -0.62 0.00 0.00 0.00 173.10 175.58 2rqa n VAL 609 N 1.84 0.30 -3.55 1.40 0.31 -1.26 0.48 118.33 117.85 2rqa n VAL 609 Ca -0.16 -0.05 -0.35 0.00 -0.01 0.00 0.00 64.34 63.77 2rqa n VAL 609 Cb 0.56 -1.56 -0.05 0.00 -0.91 0.00 0.00 33.84 31.88 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 2.66 5.07 -0.11 2.52 1.01 -0.94 -1.07 121.20 130.34 2rqa s ILE 610 Ca 0.89 0.49 -0.03 0.00 0.00 0.00 0.00 60.65 61.99 2rqa s ILE 610 Cb -0.77 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.09 2rqa s ILE 610 CO 0.49 0.28 0.15 -0.94 0.00 0.00 0.00 174.94 174.92 2rqa s SER 611 N -1.75 1.08 -0.37 3.58 1.04 -1.15 -1.32 113.70 114.80 2rqa s SER 611 Ca 0.33 0.11 -0.43 0.00 0.48 0.00 0.00 55.95 56.45 2rqa s SER 611 Cb -0.14 0.18 -0.17 0.00 0.10 0.00 0.00 66.02 65.98 2rqa s SER 611 CO 0.18 -0.27 1.70 0.00 0.98 0.00 0.00 173.24 175.83 2rqa h ARG 613 N 6.43 0.00 -0.71 0.00 2.43 -0.79 1.45 114.38 123.19 2rqa h ARG 613 Ca -0.45 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 2rqa h ARG 613 Cb 1.34 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.86 2rqa h ARG 613 CO 0.97 0.40 0.19 -0.91 -1.51 0.00 0.00 179.97 179.12 2rqa h ASN 614 N 0.00 1.05 0.00 -3.80 2.35 -1.87 -3.42 115.58 109.90 2rqa h ASN 614 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2rqa h ASN 614 Cb 0.78 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.87 2rqa h ASN 614 CO 0.05 1.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.83 2rqa n GLY 616 N 3.58 0.49 3.39 0.00 0.00 0.49 -4.93 105.19 108.21 2rqa n GLY 616 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 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 0.22 -1.55 1.61 4.07 -1.26 -3.89 120.64 119.84 2rqa n GLU 617 Ca 0.00 0.04 -0.47 0.00 -0.06 0.00 0.00 57.16 56.67 2rqa n GLU 617 Cb 0.00 -1.76 -0.05 0.00 -0.06 0.00 0.00 31.44 29.57 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 7.06 0.33 0.10 6.31 0.31 -1.26 -3.05 118.33 128.13 2rqa n VAL 618 Ca 0.56 -0.31 -0.12 0.00 -0.01 0.00 0.00 64.34 64.46 2rqa n VAL 618 Cb 0.06 -2.06 -0.08 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 12.82 -0.28 0.00 3.52 6.55 -1.49 -3.48 115.95 133.59 2rqa h TRP 619 Ca -0.37 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.47 2rqa h TRP 619 Cb 1.28 0.09 0.00 0.00 -0.86 0.00 0.00 29.16 29.67 2rqa h TRP 619 CO 0.94 0.11 0.00 0.41 -1.05 0.00 0.00 178.44 178.84 2rqa n GLY 620 N 0.19 -1.78 3.46 1.49 0.00 -1.23 -4.10 105.19 103.21 2rqa n GLY 620 Ca -0.08 0.80 -0.13 0.00 0.00 0.00 0.00 46.02 46.61 2rqa n GLY 620 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rqa s LEU 621 N 0.00 -0.57 0.07 0.99 0.20 -1.19 -2.20 118.68 115.98 2rqa s LEU 621 Ca 0.00 0.19 -0.23 0.00 0.69 0.00 0.00 54.13 54.78 2rqa s LEU 621 Cb 0.00 2.52 -0.06 0.00 -0.43 0.00 0.00 46.19 48.21 2rqa s LEU 621 CO 0.00 -0.83 0.70 -1.58 -0.29 0.00 0.00 176.35 174.34 2rqa s GLN 622 N -2.97 4.42 0.18 1.98 0.74 0.18 -1.29 119.66 122.89 2rqa s GLN 622 Ca -0.02 0.96 0.10 0.00 0.05 0.00 0.00 55.36 56.45 2rqa s GLN 622 Cb -0.01 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.75 2rqa s GLN 622 CO -0.06 0.45 -0.19 -1.64 -0.55 0.00 0.00 175.29 173.30 2rqa s MET 623 N -0.58 1.73 -0.07 1.67 -1.94 0.82 0.15 119.30 121.07 2rqa s MET 623 Ca 0.34 -1.39 0.05 0.00 -1.71 0.00 0.00 55.69 52.98 2rqa s MET 623 Cb -0.21 -1.99 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 2rqa s MET 623 CO 0.22 0.42 -0.23 0.42 -0.01 0.00 0.00 175.02 175.85 2rqa s ILE 624 N -1.59 2.23 -0.21 2.53 1.09 -1.01 -0.79 121.20 123.46 2rqa s ILE 624 Ca 0.21 -0.99 -0.04 0.00 -1.10 0.00 0.00 60.65 58.73 2rqa s ILE 624 Cb -0.09 -1.84 0.07 0.00 -1.06 0.00 0.00 42.46 39.55 2rqa s ILE 624 CO 0.11 0.56 0.09 -0.47 -0.10 0.00 0.00 174.94 175.14 2rqa s TYR 625 N -0.03 0.37 -1.14 3.97 5.04 -1.00 -2.86 117.35 121.70 2rqa s TYR 625 Ca -0.07 -0.55 0.00 0.00 -2.44 0.00 0.00 57.07 54.01 2rqa s TYR 625 Cb -0.15 -0.81 0.00 0.00 0.35 0.00 0.00 41.96 41.35 2rqa s TYR 625 CO 0.05 -0.61 0.00 1.63 -1.34 0.00 0.00 175.55 175.28 2rqa n LYS 626 N 5.23 -0.93 -1.70 4.97 4.01 -1.26 -2.41 118.16 126.07 2rqa n LYS 626 Ca -0.07 0.85 0.00 0.00 -0.51 0.00 0.00 58.31 58.58 2rqa n LYS 626 Cb 0.47 -4.87 0.00 0.00 -0.51 0.00 0.00 35.03 30.12 2rqa n LYS 626 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2rqa n SER 627 N -0.12 -1.46 -4.03 4.39 3.41 -1.26 -5.08 113.62 109.47 2rqa n SER 627 Ca -0.11 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.26 2rqa n SER 627 Cb 0.40 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.82 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 -2.64 1.09 -0.71 -3.33 1.01 -1.01 -5.08 120.40 109.73 2rqa s VAL 628 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 2rqa s VAL 628 Cb 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.41 2rqa s VAL 628 CO 0.00 0.34 1.40 -0.54 0.00 0.00 0.00 175.10 176.30 2rqa s LYS 629 N 0.55 3.08 -0.24 2.72 -0.14 -1.26 -2.36 119.74 122.08 2rqa s LYS 629 Ca -0.12 -0.06 0.02 0.00 -1.36 0.00 0.00 55.97 54.45 2rqa s LYS 629 Cb -0.14 -4.22 0.05 0.00 -1.68 0.00 0.00 37.83 31.83 2rqa s LYS 629 CO 0.03 -2.27 -0.13 -0.51 -0.76 0.00 0.00 175.35 171.71 2rqa s LEU 630 N 6.42 3.05 0.24 3.17 1.43 0.03 -4.73 118.68 128.29 2rqa s LEU 630 Ca 0.42 -1.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 2rqa s LEU 630 Cb -0.09 -1.50 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 2rqa s LEU 630 CO 0.16 -0.15 1.10 -2.16 0.23 0.00 0.00 176.35 175.53 2rqa s PRO 631 N 1.17 4.63 -0.65 1.29 0.04 -1.26 -0.13 135.00 140.10 2rqa s PRO 631 Ca -0.05 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 62.65 2rqa s PRO 631 Cb -0.18 -3.23 0.17 0.00 0.04 0.00 0.00 34.50 31.30 2rqa s PRO 631 CO -0.07 0.16 0.53 0.08 0.04 0.00 0.00 177.00 177.75 2rqa s VAL 632 N -0.77 4.61 0.48 -0.36 1.01 -0.41 -3.06 120.40 121.91 2rqa s VAL 632 Ca 0.46 -2.36 0.07 0.00 0.00 0.00 0.00 61.98 60.15 2rqa s VAL 632 Cb -0.31 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2rqa s VAL 632 CO 0.38 -0.90 0.67 -0.76 0.00 0.00 0.00 175.10 174.48 2rqa s LEU 633 N 0.53 3.46 0.00 3.92 2.01 -1.25 -3.15 118.68 124.20 2rqa s LEU 633 Ca 0.13 -0.43 0.02 0.00 0.01 0.00 0.00 54.13 53.86 2rqa s LEU 633 Cb -0.19 -2.47 0.02 0.00 0.01 0.00 0.00 46.19 43.55 2rqa s LEU 633 CO -0.04 -0.98 0.14 2.29 1.01 0.00 0.00 176.35 178.76 2rqa n LYS 634 N -2.05 1.22 -0.03 1.70 2.85 -1.26 -4.68 118.16 115.91 2rqa n LYS 634 Ca 0.10 -1.30 0.04 0.00 -1.05 0.00 0.00 58.31 56.09 2rqa n LYS 634 Cb 0.60 0.16 -0.14 0.00 -0.65 0.00 0.00 35.03 35.00 2rqa n LYS 634 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2rqa n VAL 635 N -0.93 0.36 -0.15 0.58 3.14 -1.26 -3.69 118.33 116.37 2rqa n VAL 635 Ca -0.02 -0.52 -0.09 0.00 -2.96 0.00 0.00 64.34 60.75 2rqa n VAL 635 Cb 0.24 -0.11 0.04 0.00 -1.06 0.00 0.00 33.84 32.95 2rqa n VAL 635 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2rqa h ARG 636 N 0.00 0.94 -0.01 1.45 3.08 -1.76 -2.50 114.38 115.59 2rqa h ARG 636 Ca -0.14 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2rqa h ARG 636 Cb 1.21 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2rqa h ARG 636 CO 0.01 1.02 -0.30 -1.13 -1.07 0.00 0.00 179.97 178.50 2rqa n SER 637 N -4.13 0.83 -4.32 7.04 3.41 -1.26 -4.69 113.62 110.49 2rqa n SER 637 Ca 0.01 -0.68 -0.34 0.00 -0.26 0.00 0.00 58.87 57.60 2rqa n SER 637 Cb 0.42 0.14 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 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 -2.63 3.37 -0.11 4.33 -1.94 -0.94 -2.52 119.30 118.86 2rqa s MET 638 Ca 0.21 -0.65 -0.10 0.00 -1.71 0.00 0.00 55.69 53.45 2rqa s MET 638 Cb 0.19 -2.88 -0.05 0.00 2.01 0.00 0.00 34.83 34.10 2rqa s MET 638 CO 0.56 -0.07 0.21 -1.17 -0.01 0.00 0.00 175.02 174.54 2rqa s LEU 639 N 1.13 4.38 -0.32 -0.03 2.96 0.14 -4.69 118.68 122.24 2rqa s LEU 639 Ca 0.01 0.56 -0.12 0.00 -0.22 0.00 0.00 54.13 54.35 2rqa s LEU 639 Cb -0.14 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 2rqa s LEU 639 CO -0.02 0.34 0.23 -0.76 -1.32 0.00 0.00 176.35 174.83 2rqa s LEU 640 N -0.76 4.35 -0.10 -0.68 2.01 -0.43 -2.39 118.68 120.68 2rqa s LEU 640 Ca 0.16 -0.27 -0.21 0.00 0.01 0.00 0.00 54.13 53.83 2rqa s LEU 640 Cb -0.13 -2.15 -0.04 0.00 0.01 0.00 0.00 46.19 43.88 2rqa s LEU 640 CO 0.05 -0.18 0.58 -1.61 1.01 0.00 0.00 176.35 176.21 2rqa s GLU 641 N 1.76 4.38 0.06 1.70 2.02 -1.25 -0.37 118.70 126.99 2rqa s GLU 641 Ca 0.07 0.65 -0.02 0.00 0.02 0.00 0.00 54.97 55.69 2rqa s GLU 641 Cb -0.17 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2rqa s GLU 641 CO 0.11 0.10 0.01 0.95 0.02 0.00 0.00 175.26 176.44 2rqa s THR 642 N 0.76 0.20 -2.00 3.63 -4.23 -1.26 -3.87 115.64 108.88 2rqa s THR 642 Ca 0.31 -1.72 0.18 0.00 -1.18 0.00 0.00 61.69 59.28 2rqa s THR 642 Cb -0.16 -1.52 0.52 0.00 1.34 0.00 0.00 72.50 72.68 2rqa s THR 642 CO 0.14 -0.92 1.55 -0.81 -0.54 0.00 0.00 174.62 174.04 2rqa n PRO 643 N 0.07 0.75 0.00 3.99 -0.04 -1.26 -1.93 135.00 136.59 2rqa n PRO 643 Ca -0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.38 2rqa n PRO 643 Cb 0.61 -1.38 -0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.88 2.02 0.00 0.54 6.02 -1.26 -5.06 117.38 118.76 2rqa n GLN 644 Ca 0.14 -0.63 0.00 0.00 -0.01 0.00 0.00 57.00 56.50 2rqa n GLN 644 Cb 0.06 -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 0.98 3.83 3.42 1.08 0.00 -0.81 -5.08 105.19 108.61 2rqa n GLY 645 Ca 0.05 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.04 0.44 -3.88 1.61 1.74 -1.26 -4.30 116.66 110.98 2rqa n ARG 646 Ca 0.00 0.17 -0.24 0.00 -0.77 0.00 0.00 57.85 57.01 2rqa n ARG 646 Cb 0.00 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 29.77 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 -1.67 0.59 -0.26 0.55 1.01 0.50 -4.94 121.20 116.97 2rqa s ILE 647 Ca 0.64 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.28 2rqa s ILE 647 Cb -0.52 -0.69 0.06 0.00 0.01 0.00 0.00 42.46 41.33 2rqa s ILE 647 CO 0.58 0.29 -0.07 -1.58 0.00 0.00 0.00 174.94 174.15 2rqa s GLN 648 N 1.73 1.95 0.26 2.79 -0.44 -1.26 -1.31 119.66 123.37 2rqa s GLN 648 Ca 0.02 -1.28 0.03 0.00 -2.50 0.00 0.00 55.36 51.63 2rqa s GLN 648 Cb -0.13 -2.81 0.03 0.00 -1.64 0.00 0.00 33.01 28.47 2rqa s GLN 648 CO -0.05 -0.62 0.25 0.00 0.50 0.00 0.00 175.29 175.37 2rqa n ALA 649 N 4.50 0.46 0.24 1.58 0.00 -1.26 -5.05 120.51 120.98 2rqa n ALA 649 Ca -0.12 -1.00 0.02 0.00 0.00 0.00 0.00 53.44 52.35 2rqa n ALA 649 Cb 0.43 0.37 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 2rqa n ALA 649 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2rqa n LYS 650 N -1.27 5.18 -4.02 0.00 5.02 -1.26 -3.55 118.16 118.26 2rqa n LYS 650 Ca 0.02 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 2rqa n LYS 650 Cb 0.29 -0.75 -0.09 0.00 -0.02 0.00 0.00 35.03 34.45 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 -1.47 0.72 0.00 1.97 -0.14 -1.26 -4.37 119.74 115.20 2rqa s LYS 651 Ca 0.02 -1.15 0.30 0.00 -1.36 0.00 0.00 55.97 53.78 2rqa s LYS 651 Cb 0.04 0.26 1.53 0.00 -1.68 0.00 0.00 37.83 37.98 2rqa s LYS 651 CO 0.21 -0.18 2.06 0.91 -0.76 0.00 0.00 175.35 177.59 2rqa n TRP 652 N 0.03 0.00 0.36 3.18 7.02 -1.26 -2.96 117.44 123.81 2rqa n TRP 652 Ca -0.13 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.45 2rqa n TRP 652 Cb 0.62 -0.27 0.46 0.00 -2.42 0.00 0.00 31.31 29.70 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 -1.26 0.52 -0.00 -0.99 2.88 -1.26 -1.81 113.62 111.70 2rqa n SER 653 Ca 0.15 0.65 0.06 0.00 -1.33 0.00 0.00 58.87 58.39 2rqa n SER 653 Cb 0.24 -0.75 -0.08 0.00 -0.75 0.00 0.00 64.21 62.87 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 -2.10 1.40 -1.58 -1.46 5.12 -1.16 -5.01 116.66 111.87 2rqa n ARG 654 Ca 0.02 -0.07 -0.62 0.00 -1.93 0.00 0.00 57.85 55.25 2rqa n ARG 654 Cb 0.18 -1.18 -0.09 0.00 -1.16 0.00 0.00 32.46 30.21 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 -1.67 0.00 -0.04 1.55 0.31 -0.75 -4.86 118.33 112.87 2rqa n VAL 655 Ca -0.01 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2rqa n VAL 655 Cb 0.25 -0.17 -0.11 0.00 -0.91 0.00 0.00 33.84 32.90 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 3.66 0.03 -7.31 5.55 0.13 -1.92 -3.46 132.00 128.67 2rqa h PRO 656 Ca -0.49 -0.03 -0.43 0.00 -0.87 0.00 0.00 66.00 64.18 2rqa h PRO 656 Cb 1.41 0.01 0.18 0.00 0.13 0.00 0.00 31.00 32.73 2rqa h PRO 656 CO 0.75 0.77 0.12 -0.59 -0.23 0.00 0.00 178.00 178.82 2rqa s PHE 657 N -3.22 1.24 0.12 1.56 -0.71 -1.25 -4.71 117.98 111.01 2rqa s PHE 657 Ca -0.17 0.81 0.10 0.00 -1.04 0.00 0.00 56.93 56.63 2rqa s PHE 657 Cb -0.00 -3.27 -0.04 0.00 -1.21 0.00 0.00 43.02 38.50 2rqa s PHE 657 CO 0.69 -3.57 -0.25 -1.12 -1.34 0.00 0.00 175.22 169.63 2rqa s SER 658 N -3.43 3.13 -0.26 1.98 0.01 -1.26 -5.02 113.70 108.84 2rqa s SER 658 Ca 0.68 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 57.19 2rqa s SER 658 Cb -0.16 -0.20 0.14 0.00 0.21 0.00 0.00 66.02 66.00 2rqa s SER 658 CO 0.58 0.15 0.36 0.54 0.41 0.00 0.00 173.24 175.28 2rqa s VAL 659 N -1.08 -0.56 1.07 3.43 0.11 -1.26 -4.81 120.40 117.30 2rqa s VAL 659 Ca 0.12 -0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 58.82 2rqa s VAL 659 Cb -0.10 -0.86 0.24 0.00 -1.53 0.00 0.00 36.38 34.13 2rqa s VAL 659 CO 0.06 -0.21 1.22 -2.16 -3.33 0.00 0.00 175.10 170.67 2rqa s PRO 660 N 2.50 -0.23 0.95 1.54 0.04 -1.26 -4.20 135.00 134.35 2rqa s PRO 660 Ca 0.11 -0.23 -0.11 0.00 0.04 0.00 0.00 61.00 60.81 2rqa s PRO 660 Cb -0.15 -1.73 0.14 0.00 0.04 0.00 0.00 34.50 32.81 2rqa s PRO 660 CO -0.21 -3.02 0.99 -0.25 0.04 0.00 0.00 177.00 174.55 2rqa n ASP 661 N -4.24 -0.31 -4.67 6.66 8.00 -1.26 0.16 116.55 120.90 2rqa n ASP 661 Ca 0.14 0.34 -0.43 0.00 0.71 0.00 0.00 54.79 55.55 2rqa n ASP 661 Cb 0.59 -1.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.27 2rqa n ASP 661 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2rqa s PHE 662 N -2.57 3.26 -0.55 1.24 2.19 0.52 -4.27 117.98 117.80 2rqa s PHE 662 Ca 0.65 1.37 -0.28 0.00 0.33 0.00 0.00 56.93 59.00 2rqa s PHE 662 Cb -0.23 -3.32 0.03 0.00 -1.31 0.00 0.00 43.02 38.19 2rqa s PHE 662 CO 0.60 -0.77 1.23 0.34 1.83 0.00 0.00 175.22 178.45 2rqa s ASP 663 N 1.37 6.44 0.43 6.13 -1.08 -1.26 -4.85 116.67 123.84 2rqa s ASP 663 Ca 0.48 0.25 0.24 0.00 -0.52 0.00 0.00 52.55 53.00 2rqa s ASP 663 Cb -0.18 -2.55 0.72 0.00 -1.46 0.00 0.00 42.92 39.45 2rqa s ASP 663 CO 0.12 -1.47 1.74 0.15 0.52 0.00 0.00 175.17 176.23 2rqa h PHE 664 N 9.76 0.00 0.00 -5.34 3.57 -1.97 0.04 116.94 123.00 2rqa h PHE 664 Ca -0.25 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.18 2rqa h PHE 664 Cb 1.06 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.81 2rqa h PHE 664 CO 1.02 0.20 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.96 2rqa h LEU 665 N 0.00 0.23 0.35 0.59 3.38 -1.97 -1.86 115.31 116.03 2rqa h LEU 665 Ca -0.00 -0.79 -0.02 0.00 0.09 0.00 0.00 57.88 57.16 2rqa h LEU 665 Cb 0.88 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2rqa h LEU 665 CO 0.03 1.00 -0.17 -0.61 0.09 0.00 0.00 178.44 178.78 2rqa h GLN 666 N -0.51 -0.45 -0.58 1.13 5.75 -1.96 -0.73 115.11 117.77 2rqa h GLN 666 Ca -0.04 0.03 0.12 0.00 -0.15 0.00 0.00 58.65 58.61 2rqa h GLN 666 Cb 1.04 0.10 -0.09 0.00 1.07 0.00 0.00 27.48 29.60 2rqa h GLN 666 CO 0.05 -0.14 0.02 1.25 -2.65 0.00 0.00 178.83 177.36 2rqa h HIS 667 N -0.98 0.00 0.00 3.99 2.76 -1.14 1.12 115.15 120.90 2rqa h HIS 667 Ca -0.05 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2rqa h HIS 667 Cb 0.51 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.56 2rqa h HIS 667 CO 0.03 -0.13 -0.13 0.00 -1.30 0.00 0.00 177.93 176.40 2rqa n ALA 669 N -2.43 2.50 0.21 0.00 0.00 0.33 -1.71 120.51 119.41 2rqa n ALA 669 Ca -0.02 -0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.32 2rqa n ALA 669 Cb 0.21 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.26 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 0.96 -0.11 0.00 1.02 0.18 -4.68 120.64 116.27 2rqa n GLU 670 Ca 0.06 -0.63 -0.21 0.00 -0.02 0.00 0.00 57.16 56.36 2rqa n GLU 670 Cb 0.37 -1.01 -0.07 0.00 -0.02 0.00 0.00 31.44 30.70 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 -0.01 1.70 -2.51 1.62 5.03 0.49 -5.02 115.26 116.56 2rqa n ASN 671 Ca 0.03 0.29 -0.07 0.00 0.87 0.00 0.00 54.58 55.70 2rqa n ASN 671 Cb 0.11 -0.69 0.05 0.00 -1.02 0.00 0.00 39.78 38.23 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 -4.12 0.00 -2.42 3.41 4.77 -0.69 -5.03 117.00 112.91 2rqa n LEU 672 Ca -0.39 -0.40 -0.07 0.00 -0.03 0.00 0.00 56.01 55.12 2rqa n LEU 672 Cb 0.74 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.64 2rqa n LEU 672 CO 0.06 -0.71 0.07 -1.20 -1.33 0.00 0.00 177.39 174.28 2rqa n SER 673 N -3.16 2.61 0.32 -1.43 7.64 -1.26 -4.82 113.62 113.52 2rqa n SER 673 Ca 0.04 -2.64 0.22 0.00 1.01 0.00 0.00 58.87 57.50 2rqa n SER 673 Cb 0.15 -0.43 1.12 0.00 -1.01 0.00 0.00 64.21 64.04 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 2.32 0.00 0.35 6.43 3.58 -1.92 -2.70 116.42 124.48 2rqa h ASP 674 Ca 0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2rqa h ASP 674 Cb 1.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2rqa h ASP 674 CO 0.35 0.00 -0.17 -0.07 -2.88 0.00 0.00 179.24 176.48 2rqa h LEU 675 N 0.00 -0.40 -7.75 2.28 -0.00 -1.92 -3.49 115.31 104.04 2rqa h LEU 675 Ca 0.00 0.01 0.20 0.00 -0.00 0.00 0.00 57.88 58.09 2rqa h LEU 675 Cb 0.08 0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 40.78 2rqa h LEU 675 CO 0.00 -0.07 0.60 -0.44 -0.00 0.00 0.00 178.44 178.54 2rqa s SER 676 N -4.36 -0.07 0.02 -0.43 0.01 -1.02 -5.09 113.70 102.77 2rqa s SER 676 Ca -0.07 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.67 2rqa s SER 676 Cb 0.01 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.65 2rqa s SER 676 CO 0.21 -0.83 -0.08 0.18 0.41 0.00 0.00 173.24 173.13 2rqa n LEU 677 N -0.60 1.19 0.00 2.44 7.99 -1.26 -4.76 117.00 122.00 2rqa n LEU 677 Ca -0.04 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.12 2rqa n LEU 677 Cb 0.60 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 2rqa n LEU 677 CO 0.17 -0.55 0.14 -0.67 -1.51 0.00 0.00 177.39 174.98