#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 -0.46 -4.28 1.61 -0.04 -1.26 -5.08 135.00 125.49 2rqa n PRO 543 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2rqa n PRO 543 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 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 -0.98 2.72 -0.68 0.54 3.76 -1.26 -5.02 115.29 114.36 2rqa s HIS 544 Ca 0.00 -0.21 -0.05 0.00 -0.15 0.00 0.00 55.06 54.65 2rqa s HIS 544 Cb 0.00 -1.24 0.02 0.00 1.11 0.00 0.00 32.58 32.48 2rqa s HIS 544 CO 0.00 0.59 2.80 -1.33 -0.85 0.00 0.00 174.74 175.95 2rqa n MET 545 N -0.66 3.00 -4.53 1.40 2.81 -1.26 -4.90 117.12 112.97 2rqa n MET 545 Ca -0.08 -2.45 -0.31 0.00 -1.81 0.00 0.00 57.70 53.05 2rqa n MET 545 Cb 0.58 -2.29 -0.11 0.00 -0.71 0.00 0.00 33.22 30.69 2rqa n MET 545 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 2rqa s GLN 546 N -0.98 2.29 -0.29 0.03 -2.07 -1.26 -5.10 119.66 112.28 2rqa s GLN 546 Ca 0.59 -0.87 0.06 0.00 -1.82 0.00 0.00 55.36 53.32 2rqa s GLN 546 Cb 0.31 -2.34 0.20 0.00 -1.09 0.00 0.00 33.01 30.09 2rqa s GLN 546 CO -0.15 0.56 0.58 -0.06 -1.32 0.00 0.00 175.29 174.91 2rqa s PHE 547 N -0.98 -1.83 0.36 9.60 0.40 -1.26 -5.04 117.98 119.23 2rqa s PHE 547 Ca 0.16 1.04 -0.26 0.00 -0.60 0.00 0.00 56.93 57.28 2rqa s PHE 547 Cb -0.11 0.30 -0.09 0.00 0.51 0.00 0.00 43.02 43.63 2rqa s PHE 547 CO 0.07 -1.09 1.06 -1.25 0.70 0.00 0.00 175.22 174.71 2rqa s PRO 548 N 2.80 4.31 0.24 0.24 0.04 -1.26 -3.64 135.00 137.73 2rqa s PRO 548 Ca 0.10 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 2rqa s PRO 548 Cb -0.10 -2.73 0.45 0.00 0.04 0.00 0.00 34.50 32.15 2rqa s PRO 548 CO -0.26 -0.03 1.72 -0.39 0.04 0.00 0.00 177.00 178.08 2rqa h VAL 549 N 2.45 0.65 -0.54 -0.36 -1.51 -1.86 0.77 116.25 115.85 2rqa h VAL 549 Ca -0.48 -0.14 0.16 0.00 -1.23 0.00 0.00 66.70 65.00 2rqa h VAL 549 Cb 1.21 0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 2rqa h VAL 549 CO 0.64 0.08 0.42 1.05 -1.23 0.00 0.00 177.57 178.52 2rqa h GLU 550 N 0.42 0.00 0.00 5.19 4.11 -1.92 0.62 114.58 122.99 2rqa h GLU 550 Ca 0.41 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.78 2rqa h GLU 550 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2rqa h GLU 550 CO -0.41 0.00 -1.20 0.72 0.07 0.00 0.00 179.01 178.19 2rqa n HIS 551 N -4.18 0.91 -3.32 2.06 8.25 0.23 -4.81 115.22 114.36 2rqa n HIS 551 Ca 0.10 0.28 -0.39 0.00 -0.26 0.00 0.00 57.72 57.45 2rqa n HIS 551 Cb 0.64 -0.97 -0.07 0.00 1.12 0.00 0.00 29.99 30.71 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 -3.23 5.16 0.07 1.59 1.01 0.21 -4.16 120.40 121.04 2rqa s VAL 552 Ca -0.02 0.83 0.05 0.00 0.00 0.00 0.00 61.98 62.84 2rqa s VAL 552 Cb 0.09 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2rqa s VAL 552 CO 0.80 0.22 -0.06 -1.58 0.00 0.00 0.00 175.10 174.48 2rqa s GLN 553 N 1.45 2.39 -0.40 2.72 0.74 -1.10 -0.85 119.66 124.60 2rqa s GLN 553 Ca 0.21 -0.87 -0.22 0.00 0.05 0.00 0.00 55.36 54.53 2rqa s GLN 553 Cb -0.15 -2.44 0.02 0.00 1.10 0.00 0.00 33.01 31.54 2rqa s GLN 553 CO 0.09 0.55 0.74 -0.51 -0.55 0.00 0.00 175.29 175.60 2rqa s LEU 554 N -1.99 4.24 0.40 3.68 1.43 -0.86 -3.12 118.68 122.46 2rqa s LEU 554 Ca 0.21 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2rqa s LEU 554 Cb -0.11 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 2rqa s LEU 554 CO 0.13 -0.78 0.16 -0.76 0.23 0.00 0.00 176.35 175.34 2rqa s LEU 555 N 3.05 1.94 -0.49 1.79 1.02 -0.81 0.40 118.68 125.58 2rqa s LEU 555 Ca 0.28 -1.71 -0.08 0.00 0.02 0.00 0.00 54.13 52.64 2rqa s LEU 555 Cb -0.13 0.03 0.12 0.00 0.02 0.00 0.00 46.19 46.24 2rqa s LEU 555 CO 0.19 -0.98 0.35 0.00 0.02 0.00 0.00 176.35 175.94 2rqa n ILE 557 N 4.77 -0.21 0.11 0.00 -5.35 -1.12 0.26 119.36 117.81 2rqa n ILE 557 Ca -0.06 1.13 -0.05 0.00 -0.27 0.00 0.00 62.75 63.51 2rqa n ILE 557 Cb 0.41 -1.84 -0.02 0.00 -1.74 0.00 0.00 39.64 36.44 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 -0.27 0.00 7.28 4.21 -1.92 -3.41 115.58 121.47 2rqa h ASN 558 Ca 0.50 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.01 2rqa h ASN 558 Cb 1.40 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.67 2rqa h ASN 558 CO -0.39 -0.02 0.00 0.00 -1.29 0.00 0.00 177.43 175.73 2rqa n MET 560 N -1.93 -0.31 -0.21 0.00 2.81 0.74 -4.86 117.12 113.36 2rqa n MET 560 Ca 0.00 0.04 0.07 0.00 -1.81 0.00 0.00 57.70 55.99 2rqa n MET 560 Cb 0.00 -2.64 0.16 0.00 -0.71 0.00 0.00 33.22 30.02 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 -1.67 1.64 -2.01 2.03 0.24 -1.26 -4.83 118.33 112.47 2rqa n VAL 561 Ca -0.01 -1.59 -0.01 0.00 -2.04 0.00 0.00 64.34 60.70 2rqa n VAL 561 Cb 0.51 0.08 -0.01 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.47 -2.51 0.63 2.33 0.00 -1.26 -4.95 120.51 114.28 2rqa n ALA 562 Ca 0.14 0.58 0.07 0.00 0.00 0.00 0.00 53.44 54.23 2rqa n ALA 562 Cb 0.60 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 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 1.28 0.00 -2.72 0.00 0.24 0.16 -4.94 118.33 112.35 2rqa n VAL 563 Ca -0.05 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2rqa n VAL 563 Cb 0.08 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 1.16 0.96 3.17 7.63 0.00 -0.19 -4.71 105.19 113.20 2rqa n GLY 564 Ca 0.05 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 2rqa n GLY 564 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rqa s HIS 565 N -1.88 1.36 -1.51 1.61 3.76 -1.26 -2.02 115.29 115.36 2rqa s HIS 565 Ca 0.00 -0.37 0.23 0.00 -0.15 0.00 0.00 55.06 54.78 2rqa s HIS 565 Cb 0.00 -0.80 1.21 0.00 1.11 0.00 0.00 32.58 34.10 2rqa s HIS 565 CO 0.00 0.06 1.77 0.41 -0.85 0.00 0.00 174.74 176.13 2rqa n GLY 566 N 1.80 -1.02 0.53 -2.22 0.00 -0.03 -2.12 105.19 102.13 2rqa n GLY 566 Ca -0.18 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.25 2.69 -0.00 1.61 3.41 -1.25 -4.37 113.62 114.46 2rqa n SER 567 Ca 0.12 -1.95 0.05 0.00 -0.26 0.00 0.00 58.87 56.84 2rqa n SER 567 Cb 0.17 -0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 2rqa n SER 567 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2rqa n ASP 568 N 0.37 2.48 -4.90 4.04 4.64 -0.90 -4.99 116.55 117.29 2rqa n ASP 568 Ca 0.09 -0.04 -0.28 0.00 -1.38 0.00 0.00 54.79 53.18 2rqa n ASP 568 Cb 0.38 1.46 0.04 0.00 -1.04 0.00 0.00 41.12 41.96 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 2rqa s LEU 569 N -3.67 3.08 0.00 -2.67 0.05 -1.19 -3.92 118.68 110.37 2rqa s LEU 569 Ca -0.03 0.93 0.03 0.00 0.05 0.00 0.00 54.13 55.10 2rqa s LEU 569 Cb 0.07 -3.75 -0.01 0.00 -2.05 0.00 0.00 46.19 40.45 2rqa s LEU 569 CO 0.44 -1.18 0.30 0.54 -0.55 0.00 0.00 176.35 175.89 2rqa n ARG 570 N -2.78 0.43 -4.40 1.48 3.00 -0.86 -4.58 116.66 108.94 2rqa n ARG 570 Ca 0.06 -2.44 -0.24 0.00 -0.01 0.00 0.00 57.85 55.21 2rqa n ARG 570 Cb 0.57 2.15 -0.10 0.00 0.00 0.00 0.00 32.46 35.09 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 -2.87 1.84 -0.20 5.56 2.20 0.21 -1.96 119.74 124.52 2rqa s LYS 571 Ca 0.28 -1.60 0.00 0.00 -0.36 0.00 0.00 55.97 54.29 2rqa s LYS 571 Cb 0.01 -1.91 0.05 0.00 -1.51 0.00 0.00 37.83 34.46 2rqa s LYS 571 CO 0.20 0.36 -0.08 0.08 -0.36 0.00 0.00 175.35 175.54 2rqa s VAL 572 N -2.26 1.49 -1.32 4.02 1.01 -1.21 0.18 120.40 122.31 2rqa s VAL 572 Ca 0.28 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 2rqa s VAL 572 Cb -0.06 -1.62 0.16 0.00 0.00 0.00 0.00 36.38 34.85 2rqa s VAL 572 CO 0.15 0.12 0.44 -1.84 0.00 0.00 0.00 175.10 173.97 2rqa n GLU 573 N 4.73 -1.69 -4.18 2.72 0.28 -1.26 -0.35 120.64 120.88 2rqa n GLU 573 Ca -0.14 0.14 -0.39 0.00 -0.16 0.00 0.00 57.16 56.62 2rqa n GLU 573 Cb 0.46 -4.72 -0.04 0.00 1.43 0.00 0.00 31.44 28.57 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 -0.47 1.58 -1.84 0.00 -1.26 -4.80 105.19 97.46 2rqa n GLY 574 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.77 0.51 -4.04 2.61 -1.04 0.52 -5.08 114.28 102.99 2rqa n THR 575 Ca -0.21 0.17 -0.23 0.00 -2.04 0.00 0.00 64.05 61.74 2rqa n THR 575 Cb 0.61 -0.94 -0.17 0.00 -1.82 0.00 0.00 70.33 68.01 2rqa n THR 575 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2rqa s HIS 576 N -1.93 0.97 0.70 -1.42 -3.43 -1.23 -5.02 115.29 103.93 2rqa s HIS 576 Ca 0.00 -0.35 -0.14 0.00 -0.80 0.00 0.00 55.06 53.77 2rqa s HIS 576 Cb 0.00 -0.88 0.02 0.00 -1.43 0.00 0.00 32.58 30.29 2rqa s HIS 576 CO 0.00 -0.31 1.11 -1.01 -2.00 0.00 0.00 174.74 172.53 2rqa s HIS 577 N 1.38 2.56 -0.26 0.38 0.09 -1.26 -3.30 115.29 114.87 2rqa s HIS 577 Ca -0.03 1.56 -0.05 0.00 -0.00 0.00 0.00 55.06 56.54 2rqa s HIS 577 Cb -0.13 -3.15 0.14 0.00 -0.00 0.00 0.00 32.58 29.43 2rqa s HIS 577 CO -0.03 -1.79 0.51 0.14 -0.00 0.00 0.00 174.74 173.57 2rqa s VAL 578 N -2.48 -0.82 -0.42 -0.90 -7.23 -0.83 -4.19 120.40 103.53 2rqa s VAL 578 Ca 0.66 0.03 -0.24 0.00 -1.81 0.00 0.00 61.98 60.62 2rqa s VAL 578 Cb -0.20 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 35.89 2rqa s VAL 578 CO 0.46 -0.01 0.83 0.21 -0.31 0.00 0.00 175.10 176.29 2rqa s ASN 579 N 2.73 6.50 0.19 4.85 3.04 -0.96 -2.03 114.94 129.26 2rqa s ASN 579 Ca 0.06 0.14 -0.28 0.00 0.04 0.00 0.00 52.86 52.82 2rqa s ASN 579 Cb -0.14 -2.41 -0.08 0.00 -1.54 0.00 0.00 41.25 37.08 2rqa s ASN 579 CO -0.17 -0.90 0.87 -0.69 -3.04 0.00 0.00 177.10 173.17 2rqa s VAL 580 N 3.38 4.26 0.00 -5.21 1.01 -1.25 -4.01 120.40 118.58 2rqa s VAL 580 Ca 0.33 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.22 2rqa s VAL 580 Cb -0.12 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2rqa s VAL 580 CO 0.22 0.49 0.00 0.59 0.00 0.00 0.00 175.10 176.39 2rqa n ASN 581 N 1.71 0.00 0.07 3.32 3.02 -1.26 -4.58 115.26 117.54 2rqa n ASN 581 Ca -0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.42 2rqa n ASN 581 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 2rqa n ASN 581 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2rqa h PRO 582 N 0.00 0.30 0.00 3.52 0.13 -1.95 -2.80 132.00 131.20 2rqa h PRO 582 Ca 0.00 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2rqa h PRO 582 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 2rqa h PRO 582 CO 0.00 0.98 0.00 0.09 -0.23 0.00 0.00 178.00 178.84 2rqa n ASN 583 N -3.74 0.00 0.08 1.44 3.02 -1.26 -3.19 115.26 111.60 2rqa n ASN 583 Ca -0.04 -0.62 -0.03 0.00 -0.03 0.00 0.00 54.58 53.86 2rqa n ASN 583 Cb 0.77 -0.12 0.20 0.00 -0.61 0.00 0.00 39.78 40.03 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 0.00 0.33 -0.15 3.10 3.57 -1.78 -2.51 116.94 119.51 2rqa h PHE 584 Ca 0.00 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.45 2rqa h PHE 584 Cb 0.11 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2rqa h PHE 584 CO 0.00 0.66 0.18 0.66 -2.23 0.00 0.00 178.31 177.58 2rqa h SER 585 N 0.23 0.00 1.13 0.41 4.64 -1.71 0.78 113.55 119.03 2rqa h SER 585 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2rqa h SER 585 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2rqa h SER 585 CO 0.07 0.00 -0.72 0.78 -0.87 0.00 0.00 176.83 176.09 2rqa h ASN 586 N 0.00 0.00 -0.11 4.97 2.35 -1.69 -3.24 115.58 117.86 2rqa h ASN 586 Ca 0.07 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2rqa h ASN 586 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2rqa h ASN 586 CO -0.00 0.03 0.00 -1.22 -1.65 0.00 0.00 177.43 174.59 2rqa n TYR 587 N -2.58 0.13 -3.44 1.19 4.01 0.26 -4.75 117.16 111.99 2rqa n TYR 587 Ca 0.02 -0.07 -0.12 0.00 -0.16 0.00 0.00 57.90 57.57 2rqa n TYR 587 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.52 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 -1.87 -0.53 -0.07 -0.72 -0.85 -0.59 -0.38 117.35 112.34 2rqa s TYR 588 Ca 0.35 0.39 0.02 0.00 -0.52 0.00 0.00 57.07 57.31 2rqa s TYR 588 Cb 0.20 0.54 0.01 0.00 0.38 0.00 0.00 41.96 43.09 2rqa s TYR 588 CO 0.30 -0.79 -0.12 0.54 -1.52 0.00 0.00 175.55 173.95 2rqa s ASN 589 N -2.57 1.87 0.13 -0.18 2.20 -0.63 -4.65 114.94 111.11 2rqa s ASN 589 Ca 0.00 -0.31 -0.30 0.00 -0.94 0.00 0.00 52.86 51.31 2rqa s ASN 589 Cb -0.01 -0.85 -0.07 0.00 -2.00 0.00 0.00 41.25 38.32 2rqa s ASN 589 CO -0.10 0.02 1.10 -0.69 -2.94 0.00 0.00 177.10 174.49 2rqa s VAL 590 N 0.76 4.05 0.32 3.54 1.01 -1.26 -3.16 120.40 125.66 2rqa s VAL 590 Ca -0.13 1.66 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 2rqa s VAL 590 Cb -0.16 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 2rqa s VAL 590 CO 0.03 0.24 1.38 -1.20 0.00 0.00 0.00 175.10 175.54 2rqa n SER 591 N 2.87 3.05 -0.32 3.32 7.64 0.65 -4.86 113.62 125.96 2rqa n SER 591 Ca 0.04 1.19 -0.08 0.00 1.01 0.00 0.00 58.87 61.03 2rqa n SER 591 Cb 0.47 -1.51 -0.08 0.00 -1.01 0.00 0.00 64.21 62.09 2rqa n SER 591 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2rqa n ARG 592 N 1.03 -0.33 -0.97 1.43 1.85 -1.26 -4.46 116.66 113.95 2rqa n ARG 592 Ca 0.06 1.22 -0.35 0.00 -1.00 0.00 0.00 57.85 57.78 2rqa n ARG 592 Cb 0.36 -1.80 0.08 0.00 -1.05 0.00 0.00 32.46 30.05 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 -4.83 -3.34 0.00 2.89 8.00 -1.26 -4.98 116.55 113.03 2rqa n ASP 593 Ca 0.02 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2rqa n ASP 593 Cb 0.20 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 2rqa n ASP 593 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2rqa n PRO 594 N 0.03 0.00 -4.43 -0.24 -0.04 -1.26 -4.73 135.00 124.32 2rqa n PRO 594 Ca 0.04 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 2rqa n PRO 594 Cb 0.53 -0.14 -0.12 0.00 -0.04 0.00 0.00 33.50 33.74 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 3.89 -0.45 0.52 1.01 -1.17 -3.53 120.40 120.67 2rqa s VAL 595 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.65 2rqa s VAL 595 Cb 0.00 -2.69 0.16 0.00 0.00 0.00 0.00 36.38 33.85 2rqa s VAL 595 CO 0.00 0.51 0.32 -0.69 0.00 0.00 0.00 175.10 175.25 2rqa s VAL 596 N 0.15 0.83 0.12 2.92 1.01 -1.26 -5.07 120.40 119.09 2rqa s VAL 596 Ca -0.01 -2.70 0.03 0.00 0.00 0.00 0.00 61.98 59.29 2rqa s VAL 596 Cb -0.14 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2rqa s VAL 596 CO 0.03 -1.11 -0.08 -0.63 0.00 0.00 0.00 175.10 173.31 2rqa s ILE 597 N 0.07 0.87 -0.11 2.22 -1.09 -1.26 -4.90 121.20 116.99 2rqa s ILE 597 Ca 0.27 -1.98 -0.24 0.00 -2.23 0.00 0.00 60.65 56.47 2rqa s ILE 597 Cb -0.06 -1.74 -0.27 0.00 -1.58 0.00 0.00 42.46 38.81 2rqa s ILE 597 CO -0.13 -0.83 0.71 -1.13 -1.23 0.00 0.00 174.94 172.34 2rqa h ASN 598 N 2.91 0.22 -3.91 3.58 -0.73 -2.07 -3.45 115.58 112.11 2rqa h ASN 598 Ca -0.36 -0.91 -0.58 0.00 1.87 0.00 0.00 56.30 56.32 2rqa h ASN 598 Cb 1.17 -0.07 -0.31 0.00 0.27 0.00 0.00 38.32 39.38 2rqa h ASN 598 CO 0.64 1.29 -0.85 -0.75 -0.37 0.00 0.00 177.43 177.39 2rqa s LYS 599 N -2.35 1.91 0.62 6.67 2.36 -1.26 -5.14 119.74 122.56 2rqa s LYS 599 Ca -0.18 -0.66 -0.06 0.00 -2.55 0.00 0.00 55.97 52.52 2rqa s LYS 599 Cb 0.00 -1.65 0.02 0.00 -1.05 0.00 0.00 37.83 35.16 2rqa s LYS 599 CO 0.74 0.26 0.92 0.08 1.55 0.00 0.00 175.35 178.91 2rqa s VAL 600 N 0.01 3.21 0.32 4.02 1.01 -1.26 -5.09 120.40 122.62 2rqa s VAL 600 Ca -0.04 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2rqa s VAL 600 Cb -0.12 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 2rqa s VAL 600 CO 0.02 -0.30 0.01 -0.36 0.00 0.00 0.00 175.10 174.47 2rqa s PHE 601 N -3.04 2.05 -0.10 5.22 0.40 -1.26 -5.08 117.98 116.17 2rqa s PHE 601 Ca 0.56 -0.82 -0.07 0.00 -0.60 0.00 0.00 56.93 56.00 2rqa s PHE 601 Cb -0.11 -1.30 -0.05 0.00 0.51 0.00 0.00 43.02 42.08 2rqa s PHE 601 CO 0.44 0.18 -0.17 1.63 0.70 0.00 0.00 175.22 178.00 2rqa n LYS 602 N -0.69 0.27 -0.66 0.44 4.76 -1.26 -4.53 118.16 116.48 2rqa n LYS 602 Ca -0.04 0.11 0.51 0.00 -2.87 0.00 0.00 58.31 56.03 2rqa n LYS 602 Cb 0.65 -0.95 0.81 0.00 -1.84 0.00 0.00 35.03 33.70 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2rqa h ASP 603 N -0.47 0.02 -5.09 4.39 3.45 -2.00 -3.40 116.42 113.33 2rqa h ASP 603 Ca -0.22 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.26 2rqa h ASP 603 Cb 1.00 0.02 -0.09 0.00 -0.56 0.00 0.00 39.33 39.70 2rqa h ASP 603 CO -0.13 -0.03 0.07 -1.66 -1.57 0.00 0.00 179.24 175.92 2rqa s TRP 604 N -4.91 -0.06 0.16 4.55 1.48 -1.26 -4.96 118.94 113.94 2rqa s TRP 604 Ca -0.05 -0.31 0.06 0.00 -1.06 0.00 0.00 56.10 54.74 2rqa s TRP 604 Cb 0.27 0.45 -0.04 0.00 -1.16 0.00 0.00 33.47 32.99 2rqa s TRP 604 CO 0.89 -1.02 0.04 -1.59 -4.06 0.00 0.00 176.95 171.21 2rqa s LYS 605 N -3.91 2.58 0.94 3.25 -2.85 -1.07 -4.27 119.74 114.42 2rqa s LYS 605 Ca 0.12 -1.00 -0.13 0.00 -1.00 0.00 0.00 55.97 53.96 2rqa s LYS 605 Cb -0.02 -2.47 0.16 0.00 -2.06 0.00 0.00 37.83 33.43 2rqa s LYS 605 CO 0.02 0.47 1.15 -1.25 0.10 0.00 0.00 175.35 175.85 2rqa s PRO 606 N -2.94 0.87 0.00 1.78 0.04 -1.26 -1.77 135.00 131.72 2rqa s PRO 606 Ca 0.28 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2rqa s PRO 606 Cb -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2rqa s PRO 606 CO 0.20 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.29 2rqa n GLY 607 N -2.24 2.21 3.00 0.56 0.00 0.49 -4.57 105.19 104.64 2rqa n GLY 607 Ca 0.08 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 0.07 -0.02 -0.02 0.00 -1.22 -3.05 107.32 103.08 2rqa s GLY 608 Ca 0.00 -0.15 -0.35 0.00 0.00 0.00 0.00 44.72 44.22 2rqa s GLY 608 CO 0.00 -0.22 1.74 -0.62 0.00 0.00 0.00 173.10 173.99 2rqa n VAL 609 N 2.15 0.34 -3.38 1.40 0.31 -1.26 0.39 118.33 118.27 2rqa n VAL 609 Ca -0.19 -0.06 -0.30 0.00 -0.01 0.00 0.00 64.34 63.79 2rqa n VAL 609 Cb 0.57 -1.62 -0.04 0.00 -0.91 0.00 0.00 33.84 31.84 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 2.82 5.02 -0.26 2.52 1.01 0.64 -0.25 121.20 132.69 2rqa s ILE 610 Ca 0.89 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 61.58 2rqa s ILE 610 Cb -0.75 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 38.13 2rqa s ILE 610 CO 0.49 -0.24 0.57 -0.94 0.00 0.00 0.00 174.94 174.83 2rqa s SER 611 N -2.92 -0.82 -0.31 3.58 1.04 -1.19 -2.09 113.70 110.99 2rqa s SER 611 Ca 0.44 1.35 -0.39 0.00 0.48 0.00 0.00 55.95 57.83 2rqa s SER 611 Cb -0.11 1.74 -0.15 0.00 0.10 0.00 0.00 66.02 67.60 2rqa s SER 611 CO 0.28 -0.22 1.89 0.00 0.98 0.00 0.00 173.24 176.16 2rqa h ARG 613 N 8.65 0.00 -0.37 0.00 2.43 -1.01 1.47 114.38 125.55 2rqa h ARG 613 Ca -0.39 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.69 2rqa h ARG 613 Cb 1.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 2rqa h ARG 613 CO 0.98 0.31 -0.11 -0.91 -1.51 0.00 0.00 179.97 178.73 2rqa h ASN 614 N 0.00 0.63 0.00 -3.80 2.35 -1.87 -3.42 115.58 109.47 2rqa h ASN 614 Ca -0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2rqa h ASN 614 Cb 0.83 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2rqa h ASN 614 CO 0.04 0.77 0.00 0.00 -1.65 0.00 0.00 177.43 176.59 2rqa n GLY 616 N 2.80 0.42 3.44 0.00 0.00 0.50 -4.95 105.19 107.41 2rqa n GLY 616 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 0.14 -1.60 1.61 2.13 -1.26 -3.89 120.64 117.77 2rqa n GLU 617 Ca 0.00 0.01 -0.51 0.00 0.66 0.00 0.00 57.16 57.33 2rqa n GLU 617 Cb 0.00 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 29.96 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 7.29 0.08 -0.05 6.31 0.31 -1.26 -2.82 118.33 128.19 2rqa n VAL 618 Ca 0.60 -0.02 -0.16 0.00 -0.01 0.00 0.00 64.34 64.75 2rqa n VAL 618 Cb 0.06 -0.93 -0.14 0.00 -0.91 0.00 0.00 33.84 31.92 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 2.56 0.69 0.00 3.52 8.01 -0.89 -4.91 117.44 126.43 2rqa n TRP 619 Ca 0.18 0.18 0.00 0.00 -1.31 0.00 0.00 57.50 56.55 2rqa n TRP 619 Cb 0.21 -1.10 0.00 0.00 -2.01 0.00 0.00 31.31 28.41 2rqa n TRP 619 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2rqa n GLY 620 N 1.93 -0.32 3.21 6.99 0.00 -1.21 -3.39 105.19 112.39 2rqa n GLY 620 Ca -0.32 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 1.21 0.02 0.99 -0.00 -1.23 -0.26 118.68 119.41 2rqa s LEU 621 Ca 0.00 -0.36 -0.25 0.00 -0.00 0.00 0.00 54.13 53.52 2rqa s LEU 621 Cb 0.00 1.11 -0.05 0.00 -0.00 0.00 0.00 46.19 47.25 2rqa s LEU 621 CO 0.00 -0.61 0.76 -1.58 -0.00 0.00 0.00 176.35 174.92 2rqa s GLN 622 N -2.79 4.48 -0.02 1.48 0.74 0.16 -2.31 119.66 121.40 2rqa s GLN 622 Ca -0.03 1.03 0.05 0.00 0.05 0.00 0.00 55.36 56.46 2rqa s GLN 622 Cb -0.00 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 2rqa s GLN 622 CO -0.05 0.23 -0.15 -1.64 -0.55 0.00 0.00 175.29 173.13 2rqa s MET 623 N 0.14 2.37 -0.02 1.67 -1.94 0.19 0.18 119.30 121.89 2rqa s MET 623 Ca 0.39 -0.79 0.05 0.00 -1.71 0.00 0.00 55.69 53.63 2rqa s MET 623 Cb -0.20 -2.32 -0.03 0.00 2.01 0.00 0.00 34.83 34.29 2rqa s MET 623 CO 0.22 0.59 -0.17 0.42 -0.01 0.00 0.00 175.02 176.08 2rqa s ILE 624 N -0.81 2.87 -0.23 2.53 1.09 -0.73 -0.22 121.20 125.70 2rqa s ILE 624 Ca 0.13 -0.90 -0.03 0.00 -1.10 0.00 0.00 60.65 58.75 2rqa s ILE 624 Cb -0.11 -2.14 0.12 0.00 -1.06 0.00 0.00 42.46 39.27 2rqa s ILE 624 CO 0.03 0.51 0.32 -0.47 -0.10 0.00 0.00 174.94 175.23 2rqa s TYR 625 N -0.78 -0.62 -1.10 3.97 5.04 -1.04 -2.58 117.35 120.24 2rqa s TYR 625 Ca 0.12 0.63 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 2rqa s TYR 625 Cb -0.10 -0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.09 2rqa s TYR 625 CO 0.02 -0.67 0.00 1.63 -1.34 0.00 0.00 175.55 175.19 2rqa n LYS 626 N 5.35 -0.89 -1.80 4.97 4.76 -1.26 -2.27 118.16 127.02 2rqa n LYS 626 Ca -0.04 0.83 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 2rqa n LYS 626 Cb 0.50 -4.83 0.00 0.00 -1.84 0.00 0.00 35.03 28.86 2rqa n LYS 626 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2rqa n SER 627 N -0.05 -1.41 -3.97 4.39 3.41 -1.26 -5.06 113.62 109.67 2rqa n SER 627 Ca -0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.20 2rqa n SER 627 Cb 0.38 -0.37 -0.16 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.58 -0.65 -3.33 1.01 -0.96 -5.07 120.40 110.30 2rqa s VAL 628 Ca 0.00 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 60.65 2rqa s VAL 628 Cb 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2rqa s VAL 628 CO 0.00 0.07 1.77 -0.54 0.00 0.00 0.00 175.10 176.41 2rqa s LYS 629 N 1.40 2.72 -0.28 2.72 -0.14 -1.26 -2.49 119.74 122.41 2rqa s LYS 629 Ca -0.03 0.42 -0.01 0.00 -1.36 0.00 0.00 55.97 54.99 2rqa s LYS 629 Cb -0.17 -4.40 0.04 0.00 -1.68 0.00 0.00 37.83 31.62 2rqa s LYS 629 CO -0.07 -2.68 -0.04 -0.51 -0.76 0.00 0.00 175.35 171.30 2rqa s LEU 630 N 8.59 3.60 0.04 3.17 1.43 0.69 -4.72 118.68 131.48 2rqa s LEU 630 Ca 0.62 -1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 2rqa s LEU 630 Cb -0.11 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 2rqa s LEU 630 CO 0.18 -0.21 1.17 -2.16 0.23 0.00 0.00 176.35 175.57 2rqa s PRO 631 N 1.26 4.44 -0.43 1.29 0.04 -1.26 -0.64 135.00 139.71 2rqa s PRO 631 Ca -0.04 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.56 2rqa s PRO 631 Cb -0.19 -3.38 0.03 0.00 0.04 0.00 0.00 34.50 31.00 2rqa s PRO 631 CO -0.03 -0.25 0.36 0.08 0.04 0.00 0.00 177.00 177.21 2rqa s VAL 632 N 1.15 5.19 0.44 -0.36 1.01 -0.98 -2.26 120.40 124.60 2rqa s VAL 632 Ca 0.58 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.99 2rqa s VAL 632 Cb -0.28 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2rqa s VAL 632 CO 0.28 -0.40 0.28 -0.76 0.00 0.00 0.00 175.10 174.50 2rqa s LEU 633 N 1.83 3.11 0.00 3.92 2.01 -1.26 -3.49 118.68 124.80 2rqa s LEU 633 Ca 0.07 -1.02 0.08 0.00 0.01 0.00 0.00 54.13 53.28 2rqa s LEU 633 Cb -0.19 -1.58 0.08 0.00 0.01 0.00 0.00 46.19 44.51 2rqa s LEU 633 CO 0.11 -0.69 0.68 0.29 1.01 0.00 0.00 176.35 177.75 2rqa n LYS 634 N -1.43 0.66 -0.08 1.70 5.02 -1.22 -4.77 118.16 118.04 2rqa n LYS 634 Ca -0.00 -2.63 -0.07 0.00 -2.02 0.00 0.00 58.31 53.59 2rqa n LYS 634 Cb 0.64 -0.21 -0.14 0.00 -0.02 0.00 0.00 35.03 35.30 2rqa n LYS 634 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2rqa n VAL 635 N -2.07 1.08 0.38 -0.18 3.14 -1.26 -3.66 118.33 115.76 2rqa n VAL 635 Ca 0.14 -0.71 0.13 0.00 -2.96 0.00 0.00 64.34 60.94 2rqa n VAL 635 Cb 0.51 -0.47 0.38 0.00 -1.06 0.00 0.00 33.84 33.20 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 0.00 0.00 1.45 0.11 -1.76 -2.89 114.38 111.30 2rqa h ARG 636 Ca -0.43 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2rqa h ARG 636 Cb 1.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.04 2rqa h ARG 636 CO 0.02 0.00 -1.14 -1.13 0.10 0.00 0.00 179.97 177.83 2rqa n SER 637 N -2.71 0.82 -4.49 0.08 3.41 -1.26 -4.82 113.62 104.65 2rqa n SER 637 Ca 0.04 -0.80 -0.34 0.00 -0.26 0.00 0.00 58.87 57.51 2rqa n SER 637 Cb 0.42 1.12 -0.12 0.00 -0.26 0.00 0.00 64.21 65.37 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2rqa s MET 638 N -3.09 3.66 0.03 4.33 -1.94 -1.09 -2.80 119.30 118.40 2rqa s MET 638 Ca 0.06 -0.52 -0.14 0.00 -1.71 0.00 0.00 55.69 53.37 2rqa s MET 638 Cb 0.16 -2.93 -0.06 0.00 2.01 0.00 0.00 34.83 34.00 2rqa s MET 638 CO 0.87 0.21 0.43 -1.17 -0.01 0.00 0.00 175.02 175.34 2rqa s LEU 639 N 0.46 4.45 -0.58 -0.03 2.96 0.12 -4.69 118.68 121.36 2rqa s LEU 639 Ca -0.03 0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 54.77 2rqa s LEU 639 Cb -0.14 -2.73 0.15 0.00 0.50 0.00 0.00 46.19 43.97 2rqa s LEU 639 CO 0.03 0.28 0.43 -0.76 -1.32 0.00 0.00 176.35 175.01 2rqa s LEU 640 N -1.30 5.60 0.00 -0.68 2.01 -0.63 -1.93 118.68 121.75 2rqa s LEU 640 Ca 0.27 -2.46 -0.30 0.00 0.01 0.00 0.00 54.13 51.65 2rqa s LEU 640 Cb -0.16 -1.95 -0.04 0.00 0.01 0.00 0.00 46.19 44.05 2rqa s LEU 640 CO 0.15 -0.51 1.17 -1.61 1.01 0.00 0.00 176.35 176.56 2rqa s GLU 641 N 0.53 4.41 0.10 1.70 2.02 -1.18 -1.70 118.70 124.57 2rqa s GLU 641 Ca 0.13 1.68 0.01 0.00 0.02 0.00 0.00 54.97 56.82 2rqa s GLU 641 Cb -0.21 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 2rqa s GLU 641 CO -0.04 -0.32 -0.06 0.95 0.02 0.00 0.00 175.26 175.82 2rqa s THR 642 N 1.58 0.62 -2.00 3.63 -4.23 -1.26 -2.72 115.64 111.26 2rqa s THR 642 Ca 0.57 -1.92 0.19 0.00 -1.18 0.00 0.00 61.69 59.35 2rqa s THR 642 Cb -0.26 -1.69 0.55 0.00 1.34 0.00 0.00 72.50 72.44 2rqa s THR 642 CO 0.26 -0.86 1.59 -0.81 -0.54 0.00 0.00 174.62 174.25 2rqa n PRO 643 N -0.03 0.75 0.00 3.99 -0.04 -1.26 -1.97 135.00 136.43 2rqa n PRO 643 Ca -0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2rqa n PRO 643 Cb 0.61 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.93 0.00 0.54 6.02 -1.26 -5.07 117.38 119.64 2rqa n GLN 644 Ca 0.14 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2rqa n GLN 644 Cb 0.07 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.26 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 1.23 4.07 3.35 1.08 0.00 -0.83 -5.10 105.19 108.99 2rqa n GLY 645 Ca 0.03 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.33 0.23 -3.83 1.61 1.74 -1.26 -4.24 116.66 110.58 2rqa n ARG 646 Ca 0.00 0.10 -0.14 0.00 -0.77 0.00 0.00 57.85 57.04 2rqa n ARG 646 Cb 0.00 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 29.83 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 -1.90 -0.01 -0.20 0.55 1.01 -0.69 -4.93 121.20 115.04 2rqa s ILE 647 Ca 0.61 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 61.34 2rqa s ILE 647 Cb -0.40 -0.07 0.06 0.00 0.01 0.00 0.00 42.46 42.06 2rqa s ILE 647 CO 0.62 0.05 0.03 -1.58 0.00 0.00 0.00 174.94 174.06 2rqa s GLN 648 N 0.57 0.72 0.50 2.79 -0.44 -1.26 -1.61 119.66 120.94 2rqa s GLN 648 Ca -0.05 -0.46 0.08 0.00 -2.50 0.00 0.00 55.36 52.43 2rqa s GLN 648 Cb -0.07 -2.14 0.08 0.00 -1.64 0.00 0.00 33.01 29.24 2rqa s GLN 648 CO -0.02 -0.64 0.65 0.00 0.50 0.00 0.00 175.29 175.79 2rqa n ALA 649 N 5.02 1.03 0.19 1.58 0.00 -1.26 -5.04 120.51 122.04 2rqa n ALA 649 Ca -0.09 -1.83 0.03 0.00 0.00 0.00 0.00 53.44 51.55 2rqa n ALA 649 Cb 0.47 0.53 -0.04 0.00 0.00 0.00 0.00 19.45 20.41 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 -2.04 3.37 -3.95 0.00 5.02 -1.26 -3.69 118.16 115.62 2rqa n LYS 650 Ca 0.12 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 2rqa n LYS 650 Cb 0.52 -0.91 -0.08 0.00 -0.02 0.00 0.00 35.03 34.54 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 -1.87 0.76 0.00 1.97 -0.14 -1.26 -4.35 119.74 114.85 2rqa s LYS 651 Ca 0.01 -1.07 0.22 0.00 -1.36 0.00 0.00 55.97 53.77 2rqa s LYS 651 Cb 0.04 0.29 1.09 0.00 -1.68 0.00 0.00 37.83 37.58 2rqa s LYS 651 CO 0.26 -0.21 1.71 0.91 -0.76 0.00 0.00 175.35 177.26 2rqa n TRP 652 N 0.00 0.00 0.32 3.18 7.02 -1.26 -2.24 117.44 124.46 2rqa n TRP 652 Ca -0.14 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.49 2rqa n TRP 652 Cb 0.62 -0.30 0.55 0.00 -2.42 0.00 0.00 31.31 29.76 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 -2.63 113.55 108.77 2rqa h SER 653 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rqa h SER 653 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2rqa h SER 653 CO 0.00 0.00 -1.74 0.54 -0.53 0.00 0.00 176.83 175.10 2rqa n ARG 654 N -2.83 0.54 -1.69 2.24 5.12 -0.95 -4.97 116.66 114.12 2rqa n ARG 654 Ca 0.02 -0.15 -0.67 0.00 -1.93 0.00 0.00 57.85 55.12 2rqa n ARG 654 Cb 0.33 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.03 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 -2.06 0.01 0.00 1.55 0.31 -0.99 -4.82 118.33 112.32 2rqa n VAL 655 Ca -0.02 -0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.13 2rqa n VAL 655 Cb 0.50 -0.52 -0.10 0.00 -0.91 0.00 0.00 33.84 32.82 2rqa n VAL 655 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2rqa h PRO 656 N 5.55 0.55 -7.33 5.55 0.13 -1.91 -3.45 132.00 131.09 2rqa h PRO 656 Ca -0.40 -0.53 -0.51 0.00 -0.87 0.00 0.00 66.00 63.69 2rqa h PRO 656 Cb 1.38 0.14 0.11 0.00 0.13 0.00 0.00 31.00 32.75 2rqa h PRO 656 CO 0.99 1.16 0.34 -0.59 -0.23 0.00 0.00 178.00 179.68 2rqa s PHE 657 N -3.42 2.86 0.26 1.56 -0.71 -1.24 -4.61 117.98 112.68 2rqa s PHE 657 Ca -0.12 1.46 -0.12 0.00 -1.04 0.00 0.00 56.93 57.10 2rqa s PHE 657 Cb 0.05 -2.97 -0.08 0.00 -1.21 0.00 0.00 43.02 38.82 2rqa s PHE 657 CO 0.86 -1.52 0.63 -1.12 -1.34 0.00 0.00 175.22 172.72 2rqa s SER 658 N -3.63 6.71 -0.35 1.98 0.01 -1.26 -4.98 113.70 112.18 2rqa s SER 658 Ca 0.60 1.08 -0.00 0.00 1.31 0.00 0.00 55.95 58.94 2rqa s SER 658 Cb -0.15 -2.29 0.12 0.00 0.21 0.00 0.00 66.02 63.90 2rqa s SER 658 CO 0.55 -0.11 0.16 -0.69 0.41 0.00 0.00 173.24 173.56 2rqa s VAL 659 N -1.85 0.74 0.46 3.43 1.01 -1.26 -4.78 120.40 118.15 2rqa s VAL 659 Ca 0.49 -1.67 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 2rqa s VAL 659 Cb -0.11 -1.55 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 2rqa s VAL 659 CO 0.20 -0.80 1.04 -2.16 0.00 0.00 0.00 175.10 173.38 2rqa s PRO 660 N 1.25 3.91 1.08 2.72 0.04 -1.26 -4.30 135.00 138.45 2rqa s PRO 660 Ca 0.13 1.41 -0.15 0.00 0.04 0.00 0.00 61.00 62.43 2rqa s PRO 660 Cb -0.20 -2.23 0.14 0.00 0.04 0.00 0.00 34.50 32.25 2rqa s PRO 660 CO -0.15 -0.35 0.43 -0.40 0.04 0.00 0.00 177.00 176.57 2rqa n ASP 661 N -0.70 -1.94 -4.61 6.66 5.68 -1.26 0.65 116.55 121.03 2rqa n ASP 661 Ca 0.08 0.01 -0.43 0.00 -0.50 0.00 0.00 54.79 53.95 2rqa n ASP 661 Cb 0.52 -1.13 -0.02 0.00 -1.14 0.00 0.00 41.12 39.35 2rqa n ASP 661 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2rqa s PHE 662 N -2.34 2.70 -0.79 2.11 5.36 0.47 -4.22 117.98 121.27 2rqa s PHE 662 Ca 0.60 0.79 -0.25 0.00 -0.96 0.00 0.00 56.93 57.11 2rqa s PHE 662 Cb -0.18 -4.20 -0.04 0.00 -0.34 0.00 0.00 43.02 38.26 2rqa s PHE 662 CO 0.66 -1.51 1.94 -0.51 -1.46 0.00 0.00 175.22 174.34 2rqa s ASP 663 N 2.87 5.13 0.24 6.13 1.01 -1.26 -4.78 116.67 126.02 2rqa s ASP 663 Ca 0.53 -0.28 -0.03 0.00 0.71 0.00 0.00 52.55 53.48 2rqa s ASP 663 Cb -0.12 -2.55 0.28 0.00 1.01 0.00 0.00 42.92 41.55 2rqa s ASP 663 CO 0.28 -2.67 1.73 0.15 0.21 0.00 0.00 175.17 174.87 2rqa h PHE 664 N 12.72 0.88 0.67 4.23 3.57 -1.97 0.12 116.94 137.16 2rqa h PHE 664 Ca -0.03 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 2rqa h PHE 664 Cb 1.06 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 39.57 2rqa h PHE 664 CO 1.15 0.83 -0.32 -0.07 -2.23 0.00 0.00 178.31 177.67 2rqa h LEU 665 N 0.75 -0.76 1.01 0.59 3.38 -1.98 0.19 115.31 118.48 2rqa h LEU 665 Ca 0.14 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2rqa h LEU 665 Cb 0.51 0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2rqa h LEU 665 CO 0.03 -0.53 -0.48 -0.61 0.09 0.00 0.00 178.44 176.94 2rqa h GLN 666 N -0.93 -1.30 -1.12 1.13 4.15 -1.94 0.63 115.11 115.72 2rqa h GLN 666 Ca -0.09 0.09 0.33 0.00 0.77 0.00 0.00 58.65 59.75 2rqa h GLN 666 Cb 0.70 0.30 -0.12 0.00 0.21 0.00 0.00 27.48 28.57 2rqa h GLN 666 CO 0.15 -0.87 0.70 1.25 -1.93 0.00 0.00 178.83 178.14 2rqa h HIS 667 N -1.35 0.68 -0.37 3.99 2.76 -0.79 1.54 115.15 121.61 2rqa h HIS 667 Ca -0.14 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 57.96 2rqa h HIS 667 Cb 1.04 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.80 2rqa h HIS 667 CO 0.00 -0.07 -0.14 0.00 -1.30 0.00 0.00 177.93 176.43 2rqa n ALA 669 N -2.46 1.67 0.03 0.00 0.00 0.48 0.61 120.51 120.84 2rqa n ALA 669 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 2rqa n ALA 669 Cb 0.38 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 2rqa n ALA 669 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rqa h GLU 670 N 0.00 0.13 0.00 0.00 5.08 0.76 -3.23 114.58 117.32 2rqa h GLU 670 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2rqa h GLU 670 Cb 0.29 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2rqa h GLU 670 CO 0.00 0.90 -0.68 0.09 -1.00 0.00 0.00 179.01 178.31 2rqa n ASN 671 N -3.30 1.68 -0.31 1.42 5.03 -0.78 -4.53 115.26 114.48 2rqa n ASN 671 Ca -0.16 0.44 -0.09 0.00 0.87 0.00 0.00 54.58 55.65 2rqa n ASN 671 Cb 1.03 -0.77 -0.05 0.00 -1.02 0.00 0.00 39.78 38.96 2rqa n ASN 671 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2rqa h LEU 672 N -0.90 -1.80 0.95 3.41 3.38 -0.06 -3.44 115.31 116.85 2rqa h LEU 672 Ca 0.00 0.29 -0.31 0.00 0.09 0.00 0.00 57.88 57.95 2rqa h LEU 672 Cb 0.68 0.81 -0.11 0.00 0.09 0.00 0.00 40.66 42.14 2rqa h LEU 672 CO 0.00 -0.30 -0.30 -1.20 0.09 0.00 0.00 178.44 176.73 2rqa n SER 673 N -5.36 -4.79 0.14 -0.43 7.64 -1.22 -4.83 113.62 104.77 2rqa n SER 673 Ca 0.03 0.31 0.13 0.00 1.01 0.00 0.00 58.87 60.35 2rqa n SER 673 Cb 0.32 -3.67 0.49 0.00 -1.01 0.00 0.00 64.21 60.34 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 0.00 0.00 0.16 6.43 3.58 -1.86 -3.21 116.42 121.52 2rqa h ASP 674 Ca -0.32 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.12 2rqa h ASP 674 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2rqa h ASP 674 CO 0.45 0.00 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.67 2rqa h LEU 675 N 0.00 -0.18 -7.00 2.28 -0.00 -1.88 -3.49 115.31 105.04 2rqa h LEU 675 Ca 0.00 0.01 0.15 0.00 -0.00 0.00 0.00 57.88 58.04 2rqa h LEU 675 Cb 0.47 0.05 -0.25 0.00 -0.00 0.00 0.00 40.66 40.93 2rqa h LEU 675 CO 0.00 0.21 0.72 -0.94 -0.00 0.00 0.00 178.44 178.43 2rqa s SER 676 N -4.84 -0.22 -0.17 -0.43 1.04 -1.21 -5.07 113.70 102.79 2rqa s SER 676 Ca -0.03 0.23 -0.21 0.00 0.48 0.00 0.00 55.95 56.43 2rqa s SER 676 Cb 0.00 0.19 -0.18 0.00 0.10 0.00 0.00 66.02 66.13 2rqa s SER 676 CO 0.09 -0.22 0.30 -0.07 0.98 0.00 0.00 173.24 174.32 2rqa h LEU 677 N 2.32 0.00 0.00 2.42 4.07 -1.96 -3.46 115.31 118.71 2rqa h LEU 677 Ca -0.14 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.28 2rqa h LEU 677 Cb 1.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.91 2rqa h LEU 677 CO 0.27 1.20 0.00 -0.67 -1.08 0.00 0.00 178.44 178.16