#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqa h PRO 543 N 0.00 0.00 -4.73 1.61 0.13 -2.09 -3.42 132.00 123.50 2rqa h PRO 543 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 2rqa h PRO 543 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 2rqa h PRO 543 CO 0.00 0.58 -0.84 -1.01 -0.23 0.00 0.00 178.00 176.50 2rqa s HIS 544 N -3.33 2.18 -0.72 1.56 3.76 -1.26 -5.08 115.29 112.40 2rqa s HIS 544 Ca 0.01 -1.18 -0.24 0.00 -0.15 0.00 0.00 55.06 53.50 2rqa s HIS 544 Cb 0.11 -1.58 0.06 0.00 1.11 0.00 0.00 32.58 32.27 2rqa s HIS 544 CO 0.74 -0.63 1.10 -1.64 -0.85 0.00 0.00 174.74 173.46 2rqa s MET 545 N 1.33 3.19 0.21 1.40 -1.94 -1.26 -5.00 119.30 117.22 2rqa s MET 545 Ca 0.02 -0.71 0.11 0.00 -1.71 0.00 0.00 55.69 53.40 2rqa s MET 545 Cb -0.13 -4.31 -0.05 0.00 2.01 0.00 0.00 34.83 32.35 2rqa s MET 545 CO -0.08 -1.94 -0.23 1.14 -0.01 0.00 0.00 175.02 173.90 2rqa s GLN 546 N 4.57 1.53 -0.31 2.03 -2.07 -1.26 -5.12 119.66 119.03 2rqa s GLN 546 Ca 0.28 -1.56 0.03 0.00 -1.82 0.00 0.00 55.36 52.29 2rqa s GLN 546 Cb -0.12 -1.79 0.17 0.00 -1.09 0.00 0.00 33.01 30.17 2rqa s GLN 546 CO 0.09 0.38 0.44 -0.06 -1.32 0.00 0.00 175.29 174.82 2rqa s PHE 547 N -1.85 -1.08 0.23 9.60 0.40 -1.26 -4.93 117.98 119.08 2rqa s PHE 547 Ca 0.22 0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 56.53 2rqa s PHE 547 Cb -0.07 -0.10 -0.09 0.00 0.51 0.00 0.00 43.02 43.27 2rqa s PHE 547 CO 0.10 -1.01 1.10 -1.25 0.70 0.00 0.00 175.22 174.86 2rqa s PRO 548 N 2.40 4.62 0.48 0.24 0.04 -1.26 -3.93 135.00 137.59 2rqa s PRO 548 Ca 0.11 1.76 0.23 0.00 0.04 0.00 0.00 61.00 63.13 2rqa s PRO 548 Cb -0.12 -3.23 1.26 0.00 0.04 0.00 0.00 34.50 32.45 2rqa s PRO 548 CO -0.25 0.16 1.91 -0.39 0.04 0.00 0.00 177.00 178.47 2rqa h VAL 549 N 3.39 0.68 -0.02 -0.36 -1.51 -1.88 0.95 116.25 117.50 2rqa h VAL 549 Ca -0.46 -0.07 -0.07 0.00 -1.23 0.00 0.00 66.70 64.88 2rqa h VAL 549 Cb 1.21 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 2rqa h VAL 549 CO 0.70 0.04 -0.30 1.05 -1.23 0.00 0.00 177.57 177.82 2rqa h GLU 550 N 0.20 0.03 -0.00 5.19 4.11 -1.91 -1.88 114.58 120.32 2rqa h GLU 550 Ca 0.38 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.80 2rqa h GLU 550 Cb 1.20 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2rqa h GLU 550 CO -0.08 0.33 -0.73 0.72 0.07 0.00 0.00 179.01 179.32 2rqa n HIS 551 N -4.17 0.00 -3.96 2.06 8.25 0.27 -4.86 115.22 112.81 2rqa n HIS 551 Ca -0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 2rqa n HIS 551 Cb 0.35 -0.08 -0.09 0.00 1.12 0.00 0.00 29.99 31.29 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 -2.89 4.89 0.31 1.59 1.01 0.18 -4.62 120.40 120.86 2rqa s VAL 552 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 61.98 62.20 2rqa s VAL 552 Cb 0.17 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 2rqa s VAL 552 CO 0.76 0.46 -0.13 -1.58 0.00 0.00 0.00 175.10 174.60 2rqa s GLN 553 N 0.34 1.79 -0.45 2.72 0.74 -1.26 -1.91 119.66 121.64 2rqa s GLN 553 Ca 0.04 -1.82 -0.18 0.00 0.05 0.00 0.00 55.36 53.45 2rqa s GLN 553 Cb -0.12 -1.77 0.04 0.00 1.10 0.00 0.00 33.01 32.25 2rqa s GLN 553 CO -0.00 0.24 0.48 -0.51 -0.55 0.00 0.00 175.29 174.95 2rqa s LEU 554 N -3.57 4.97 0.43 3.68 1.43 -1.07 -3.43 118.68 121.11 2rqa s LEU 554 Ca 0.31 -0.79 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2rqa s LEU 554 Cb -0.02 -2.39 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 2rqa s LEU 554 CO 0.16 -0.66 0.01 -0.76 0.23 0.00 0.00 176.35 175.33 2rqa s LEU 555 N 2.20 2.68 -0.36 1.79 1.02 -1.06 0.71 118.68 125.66 2rqa s LEU 555 Ca 0.12 -1.44 -0.08 0.00 0.02 0.00 0.00 54.13 52.75 2rqa s LEU 555 Cb -0.18 -0.81 0.04 0.00 0.02 0.00 0.00 46.19 45.26 2rqa s LEU 555 CO 0.13 -0.56 0.15 0.00 0.02 0.00 0.00 176.35 176.08 2rqa n ILE 557 N 4.87 -0.08 -0.02 0.00 -5.35 -1.10 0.31 119.36 118.00 2rqa n ILE 557 Ca -0.12 1.30 -0.01 0.00 -0.27 0.00 0.00 62.75 63.65 2rqa n ILE 557 Cb 0.45 -2.15 -0.00 0.00 -1.74 0.00 0.00 39.64 36.20 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 0.49 7.28 4.21 -1.92 -3.42 115.58 122.22 2rqa h ASN 558 Ca 0.74 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 58.23 2rqa h ASN 558 Cb 2.78 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.99 2rqa h ASN 558 CO -0.14 0.19 -0.24 0.00 -1.29 0.00 0.00 177.43 175.95 2rqa n MET 560 N -3.95 -4.69 -0.06 0.00 2.81 0.93 -4.85 117.12 107.31 2rqa n MET 560 Ca -0.08 0.49 0.03 0.00 -1.81 0.00 0.00 57.70 56.33 2rqa n MET 560 Cb 0.26 -4.50 0.06 0.00 -0.71 0.00 0.00 33.22 28.34 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 -3.98 1.18 -1.87 2.03 0.24 -1.26 -4.82 118.33 109.85 2rqa n VAL 561 Ca 0.00 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.09 2rqa n VAL 561 Cb 0.54 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 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 -0.44 -2.31 0.65 2.33 0.00 -1.26 -4.95 120.51 114.54 2rqa n ALA 562 Ca 0.05 0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.91 2rqa n ALA 562 Cb 0.37 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 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 1.31 0.00 -1.32 0.00 0.24 0.22 -4.94 118.33 113.85 2rqa n VAL 563 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2rqa n VAL 563 Cb 0.00 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 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 1.25 2.16 3.01 7.63 0.00 -0.78 -4.67 105.19 113.78 2rqa n GLY 564 Ca 0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.80 0.38 -0.84 1.61 3.76 -1.26 -2.60 115.29 115.55 2rqa s HIS 565 Ca 0.00 -0.53 0.27 0.00 -0.15 0.00 0.00 55.06 54.65 2rqa s HIS 565 Cb 0.00 -0.25 0.95 0.00 1.11 0.00 0.00 32.58 34.38 2rqa s HIS 565 CO 0.00 -0.16 1.81 0.41 -0.85 0.00 0.00 174.74 175.95 2rqa n GLY 566 N 1.53 -1.61 0.95 -2.22 0.00 -0.80 -2.81 105.19 100.22 2rqa n GLY 566 Ca -0.23 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.83 2rqa n GLY 566 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rqa n SER 567 N -1.96 3.03 -0.03 1.61 2.88 -1.20 -4.14 113.62 113.81 2rqa n SER 567 Ca 0.06 -1.92 0.01 0.00 -1.33 0.00 0.00 58.87 55.69 2rqa n SER 567 Cb 0.40 -0.10 -0.11 0.00 -0.75 0.00 0.00 64.21 63.64 2rqa n SER 567 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2rqa n ASP 568 N 1.28 1.54 -4.79 -3.46 9.92 -1.12 -4.98 116.55 114.93 2rqa n ASP 568 Ca 0.15 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 54.07 2rqa n ASP 568 Cb 0.55 1.31 -0.03 0.00 -0.64 0.00 0.00 41.12 42.32 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2rqa s LEU 569 N -4.49 3.84 0.02 0.64 0.05 -1.14 -4.04 118.68 113.56 2rqa s LEU 569 Ca -0.06 1.97 0.01 0.00 0.05 0.00 0.00 54.13 56.10 2rqa s LEU 569 Cb 0.07 -4.55 -0.01 0.00 -2.05 0.00 0.00 46.19 39.65 2rqa s LEU 569 CO 0.60 -0.84 -0.05 -0.13 -0.55 0.00 0.00 176.35 175.39 2rqa s ARG 570 N -3.22 0.35 0.60 1.48 1.81 -0.97 -4.79 118.95 114.21 2rqa s ARG 570 Ca 0.68 -0.40 -0.12 0.00 -1.72 0.00 0.00 55.73 54.16 2rqa s ARG 570 Cb -0.18 -0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.08 2rqa s ARG 570 CO 0.21 0.04 1.02 0.21 -0.68 0.00 0.00 175.30 176.10 2rqa s LYS 571 N -0.79 3.64 -0.34 3.54 2.20 0.10 -2.62 119.74 125.46 2rqa s LYS 571 Ca -0.05 0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 56.33 2rqa s LYS 571 Cb -0.06 -2.09 0.06 0.00 -1.51 0.00 0.00 37.83 34.24 2rqa s LYS 571 CO -0.00 -0.54 0.09 0.08 -0.36 0.00 0.00 175.35 174.62 2rqa s VAL 572 N -3.05 3.40 -1.30 4.02 1.01 -0.59 0.21 120.40 124.10 2rqa s VAL 572 Ca 0.56 -1.42 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 2rqa s VAL 572 Cb -0.11 -3.02 0.15 0.00 0.00 0.00 0.00 36.38 33.40 2rqa s VAL 572 CO 0.49 -0.27 0.43 -1.84 0.00 0.00 0.00 175.10 173.92 2rqa n GLU 573 N 4.70 -1.75 -3.89 2.72 0.28 -1.26 0.82 120.64 122.25 2rqa n GLU 573 Ca -0.11 0.15 -0.25 0.00 -0.16 0.00 0.00 57.16 56.80 2rqa n GLU 573 Cb 0.43 -4.73 -0.01 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 -0.25 1.28 -1.84 0.00 -1.26 -4.87 105.19 97.32 2rqa n GLY 574 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.37 0.49 -4.25 2.61 -1.04 0.24 -5.11 114.28 102.85 2rqa n THR 575 Ca -0.29 0.16 -0.22 0.00 -2.04 0.00 0.00 64.05 61.67 2rqa n THR 575 Cb 0.67 -1.04 -0.12 0.00 -1.82 0.00 0.00 70.33 68.02 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 -1.53 1.58 -0.08 -1.42 3.76 -1.22 -4.97 115.29 111.41 2rqa s HIS 576 Ca 0.00 -0.44 -0.22 0.00 -0.15 0.00 0.00 55.06 54.25 2rqa s HIS 576 Cb 0.00 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.79 2rqa s HIS 576 CO 0.00 0.16 0.64 -1.01 -0.85 0.00 0.00 174.74 173.68 2rqa s HIS 577 N -1.33 3.57 -0.20 1.40 3.76 -1.26 -1.54 115.29 119.68 2rqa s HIS 577 Ca 0.05 1.16 -0.04 0.00 -0.15 0.00 0.00 55.06 56.07 2rqa s HIS 577 Cb -0.09 -2.73 0.07 0.00 1.11 0.00 0.00 32.58 30.93 2rqa s HIS 577 CO 0.04 0.12 0.07 0.14 -0.85 0.00 0.00 174.74 174.26 2rqa s VAL 578 N 0.71 0.20 -0.48 -0.90 -7.23 -1.08 -3.69 120.40 107.93 2rqa s VAL 578 Ca 0.34 -0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 59.79 2rqa s VAL 578 Cb -0.17 -0.84 0.03 0.00 0.56 0.00 0.00 36.38 35.95 2rqa s VAL 578 CO 0.16 -0.31 1.15 0.21 -0.31 0.00 0.00 175.10 176.00 2rqa s ASN 579 N 2.00 6.62 0.43 4.85 3.04 -1.13 -2.29 114.94 128.47 2rqa s ASN 579 Ca 0.02 0.48 -0.18 0.00 0.04 0.00 0.00 52.86 53.21 2rqa s ASN 579 Cb -0.16 -2.55 -0.10 0.00 -1.54 0.00 0.00 41.25 36.90 2rqa s ASN 579 CO -0.12 -1.26 0.91 -0.69 -3.04 0.00 0.00 177.10 172.90 2rqa s VAL 580 N 4.49 4.51 0.00 -5.21 1.01 -1.26 -4.12 120.40 119.82 2rqa s VAL 580 Ca 0.48 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2rqa s VAL 580 Cb -0.07 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2rqa s VAL 580 CO 0.32 -0.40 0.00 0.59 0.00 0.00 0.00 175.10 175.61 2rqa n ASN 581 N -0.87 0.00 0.19 3.32 5.03 -1.26 -4.50 115.26 117.17 2rqa n ASN 581 Ca 0.06 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.57 2rqa n ASN 581 Cb 0.54 0.00 0.27 0.00 -1.02 0.00 0.00 39.78 39.57 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 0.00 -0.00 3.52 0.13 -1.96 -2.58 132.00 131.11 2rqa h PRO 582 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2rqa h PRO 582 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2rqa h PRO 582 CO 0.00 0.34 -0.04 0.09 -0.23 0.00 0.00 178.00 178.16 2rqa n ASN 583 N -3.35 0.20 0.08 1.44 3.02 -1.26 -3.31 115.26 112.08 2rqa n ASN 583 Ca 0.01 -0.45 -0.06 0.00 -0.03 0.00 0.00 54.58 54.06 2rqa n ASN 583 Cb 0.56 -0.16 0.10 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.24 0.31 -0.15 3.10 3.57 -1.73 -2.84 116.94 119.44 2rqa h PHE 584 Ca 0.00 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.42 2rqa h PHE 584 Cb 0.27 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2rqa h PHE 584 CO 0.00 0.81 0.18 1.03 -2.23 0.00 0.00 178.31 178.10 2rqa h SER 585 N 0.17 0.00 1.10 0.41 0.87 -1.71 0.78 113.55 115.17 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 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2rqa h SER 585 CO 0.10 0.00 -0.70 0.78 -0.53 0.00 0.00 176.83 176.47 2rqa h ASN 586 N 0.00 0.00 -0.11 6.23 -0.26 -1.73 -3.24 115.58 116.47 2rqa h ASN 586 Ca 0.07 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2rqa h ASN 586 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 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 -2.52 0.13 -3.48 1.19 4.01 0.26 -4.72 117.16 112.03 2rqa n TYR 587 Ca 0.02 -0.07 -0.11 0.00 -0.16 0.00 0.00 57.90 57.59 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 -1.87 -0.47 -0.09 -0.72 -0.85 -0.54 -0.03 117.35 112.78 2rqa s TYR 588 Ca 0.35 0.25 0.01 0.00 -0.52 0.00 0.00 57.07 57.16 2rqa s TYR 588 Cb 0.20 0.57 0.02 0.00 0.38 0.00 0.00 41.96 43.13 2rqa s TYR 588 CO 0.30 -0.84 -0.11 -0.80 -1.52 0.00 0.00 175.55 172.59 2rqa s ASN 589 N -2.73 1.96 0.32 -0.18 0.01 -0.14 -4.65 114.94 109.54 2rqa s ASN 589 Ca 0.03 -0.31 -0.28 0.00 -0.71 0.00 0.00 52.86 51.59 2rqa s ASN 589 Cb -0.01 -0.85 -0.09 0.00 0.41 0.00 0.00 41.25 40.70 2rqa s ASN 589 CO -0.10 -0.02 1.12 -0.69 -1.51 0.00 0.00 177.10 175.90 2rqa s VAL 590 N 1.05 3.39 1.26 1.60 1.01 -1.26 -3.04 120.40 124.41 2rqa s VAL 590 Ca -0.07 1.32 -0.17 0.00 0.00 0.00 0.00 61.98 63.05 2rqa s VAL 590 Cb -0.15 -3.80 0.31 0.00 0.00 0.00 0.00 36.38 32.74 2rqa s VAL 590 CO -0.01 0.25 1.00 -0.94 0.00 0.00 0.00 175.10 175.40 2rqa s SER 591 N -0.98 0.29 -0.03 3.32 1.04 0.62 -4.92 113.70 113.04 2rqa s SER 591 Ca 0.49 1.14 -0.17 0.00 0.48 0.00 0.00 55.95 57.88 2rqa s SER 591 Cb -0.31 -1.72 -0.32 0.00 0.10 0.00 0.00 66.02 63.77 2rqa s SER 591 CO 0.40 -4.58 0.84 -0.09 0.98 0.00 0.00 173.24 170.79 2rqa h ARG 592 N -2.88 0.40 -6.44 4.02 2.43 -1.95 -3.44 114.38 106.51 2rqa h ARG 592 Ca -0.53 -0.68 -0.58 0.00 -0.81 0.00 0.00 59.98 57.38 2rqa h ARG 592 Cb 1.34 0.25 0.18 0.00 -0.42 0.00 0.00 29.97 31.32 2rqa h ARG 592 CO 0.42 1.32 -0.58 -0.25 -1.51 0.00 0.00 179.97 179.37 2rqa n ASP 593 N -3.87 -1.73 0.00 -3.80 9.92 -1.26 -4.98 116.55 110.84 2rqa n ASP 593 Ca -0.19 0.66 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 2rqa n ASP 593 Cb 0.98 -1.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 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 0.13 0.00 -4.05 -0.24 -0.04 -1.26 -4.77 135.00 124.77 2rqa n PRO 594 Ca 0.10 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.21 2rqa n PRO 594 Cb 0.48 -0.15 -0.11 0.00 -0.04 0.00 0.00 33.50 33.69 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 4.46 -0.48 0.52 1.01 -1.26 -4.23 120.40 120.41 2rqa s VAL 595 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.88 2rqa s VAL 595 Cb 0.00 -3.01 0.18 0.00 0.00 0.00 0.00 36.38 33.55 2rqa s VAL 595 CO 0.00 0.44 0.41 0.52 0.00 0.00 0.00 175.10 176.48 2rqa n VAL 596 N 3.84 -0.44 -3.99 2.92 0.31 -1.26 -5.09 118.33 114.61 2rqa n VAL 596 Ca -0.17 -3.86 -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 -0.52 0.14 -0.04 2.52 1.01 -1.26 -4.94 121.20 118.11 2rqa s ILE 597 Ca 0.32 -1.52 -0.24 0.00 0.00 0.00 0.00 60.65 59.20 2rqa s ILE 597 Cb 0.05 -1.63 -0.19 0.00 0.01 0.00 0.00 42.46 40.70 2rqa s ILE 597 CO -0.17 -0.63 1.08 -1.13 0.00 0.00 0.00 174.94 174.09 2rqa h ASN 598 N 2.83 -0.10 -3.64 3.58 -1.24 -2.08 -3.45 115.58 111.48 2rqa h ASN 598 Ca -0.34 -0.45 -0.37 0.00 0.71 0.00 0.00 56.30 55.85 2rqa h ASN 598 Cb 1.19 0.03 -0.32 0.00 0.73 0.00 0.00 38.32 39.95 2rqa h ASN 598 CO 0.57 0.44 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.64 2rqa s LYS 599 N -3.83 0.63 0.32 6.67 2.36 -1.26 -5.14 119.74 119.48 2rqa s LYS 599 Ca -0.15 -0.12 -0.13 0.00 -2.55 0.00 0.00 55.97 53.02 2rqa s LYS 599 Cb 0.01 -0.65 -0.08 0.00 -1.05 0.00 0.00 37.83 36.06 2rqa s LYS 599 CO 0.59 -0.01 0.70 0.08 1.55 0.00 0.00 175.35 178.27 2rqa s VAL 600 N 0.53 4.76 0.38 4.02 1.01 -1.26 -5.05 120.40 124.78 2rqa s VAL 600 Ca -0.06 0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.76 2rqa s VAL 600 Cb -0.10 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 2rqa s VAL 600 CO -0.00 -0.23 -0.03 -0.36 0.00 0.00 0.00 175.10 174.48 2rqa s PHE 601 N -2.03 2.43 -0.21 5.22 0.40 -1.26 -5.08 117.98 117.45 2rqa s PHE 601 Ca 0.52 -0.63 -0.16 0.00 -0.60 0.00 0.00 56.93 56.06 2rqa s PHE 601 Cb -0.10 -1.60 -0.08 0.00 0.51 0.00 0.00 43.02 41.75 2rqa s PHE 601 CO 0.21 0.47 -0.34 1.17 0.70 0.00 0.00 175.22 177.42 2rqa n LYS 602 N -0.88 0.54 -0.61 0.44 3.00 -1.26 -4.04 118.16 115.35 2rqa n LYS 602 Ca -0.05 0.22 0.48 0.00 -0.00 0.00 0.00 58.31 58.96 2rqa n LYS 602 Cb 0.66 -1.42 0.76 0.00 0.00 0.00 0.00 35.03 35.03 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2rqa h ASP 603 N -0.97 0.09 -2.59 3.14 3.45 -1.98 -3.34 116.42 114.21 2rqa h ASP 603 Ca -0.27 0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.25 2rqa h ASP 603 Cb 1.22 0.07 -0.23 0.00 -0.56 0.00 0.00 39.33 39.83 2rqa h ASP 603 CO -0.17 -0.11 -0.16 -1.66 -1.57 0.00 0.00 179.24 175.58 2rqa s TRP 604 N -5.03 -1.04 0.56 4.55 1.48 -1.26 -4.53 118.94 113.66 2rqa s TRP 604 Ca -0.06 1.96 -0.06 0.00 -1.06 0.00 0.00 56.10 56.88 2rqa s TRP 604 Cb 0.29 0.58 -0.01 0.00 -1.16 0.00 0.00 33.47 33.17 2rqa s TRP 604 CO 0.87 -0.54 0.87 -1.59 -4.06 0.00 0.00 176.95 172.50 2rqa s LYS 605 N 2.23 3.13 0.00 3.25 -2.85 0.27 -4.04 119.74 121.73 2rqa s LYS 605 Ca -0.07 0.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 2rqa s LYS 605 Cb -0.09 -2.30 0.00 0.00 -2.06 0.00 0.00 37.83 33.38 2rqa s LYS 605 CO -0.17 -0.55 0.00 -0.35 0.10 0.00 0.00 175.35 174.38 2rqa n PRO 606 N -2.49 0.03 0.00 1.78 -0.04 -1.26 -0.25 135.00 132.76 2rqa n PRO 606 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2rqa n PRO 606 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2rqa n PRO 606 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rqa n GLY 607 N 3.75 0.78 3.28 0.55 0.00 0.48 -3.81 105.19 110.23 2rqa n GLY 607 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.20 0.13 -0.02 0.00 -1.21 -4.27 107.32 101.76 2rqa s GLY 608 Ca 0.00 0.31 -0.33 0.00 0.00 0.00 0.00 44.72 44.69 2rqa s GLY 608 CO 0.00 0.08 1.67 -0.62 0.00 0.00 0.00 173.10 174.22 2rqa n VAL 609 N 0.92 0.11 -3.44 1.40 0.31 -1.26 0.55 118.33 116.92 2rqa n VAL 609 Ca -0.20 -0.02 -0.32 0.00 -0.01 0.00 0.00 64.34 63.79 2rqa n VAL 609 Cb 0.58 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.74 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 1.53 4.95 -0.24 2.52 1.01 0.89 -0.28 121.20 131.58 2rqa s ILE 610 Ca 0.80 0.46 -0.05 0.00 0.00 0.00 0.00 60.65 61.86 2rqa s ILE 610 Cb -0.63 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 38.34 2rqa s ILE 610 CO 0.38 -0.03 0.46 -0.44 0.00 0.00 0.00 174.94 175.31 2rqa s SER 611 N -2.31 -0.34 -0.19 3.58 0.01 -1.17 -2.29 113.70 110.99 2rqa s SER 611 Ca 0.46 0.76 -0.39 0.00 1.31 0.00 0.00 55.95 58.09 2rqa s SER 611 Cb -0.12 1.49 -0.16 0.00 0.21 0.00 0.00 66.02 67.45 2rqa s SER 611 CO 0.21 -0.26 1.66 0.00 0.41 0.00 0.00 173.24 175.26 2rqa h ARG 613 N 6.67 0.00 -0.51 0.00 2.43 -0.74 1.17 114.38 123.40 2rqa h ARG 613 Ca -0.47 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 2rqa h ARG 613 Cb 1.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 2rqa h ARG 613 CO 0.92 0.37 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.74 2rqa h ASN 614 N 0.00 0.94 0.00 -3.80 2.35 -1.87 -3.42 115.58 109.77 2rqa h ASN 614 Ca -0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2rqa h ASN 614 Cb 0.78 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2rqa h ASN 614 CO 0.05 1.05 0.00 0.00 -1.65 0.00 0.00 177.43 176.88 2rqa n GLY 616 N 3.45 0.55 3.45 0.00 0.00 0.40 -4.91 105.19 108.13 2rqa n GLY 616 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 2rqa n GLY 616 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rqa n GLU 617 N 0.00 0.18 -1.67 1.61 4.07 -1.26 -3.88 120.64 119.69 2rqa n GLU 617 Ca 0.00 0.02 -0.54 0.00 -0.06 0.00 0.00 57.16 56.58 2rqa n GLU 617 Cb 0.00 -1.78 -0.06 0.00 -0.06 0.00 0.00 31.44 29.54 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 7.35 0.39 0.14 6.31 0.31 -1.26 -3.52 118.33 128.05 2rqa n VAL 618 Ca 0.59 -0.09 0.07 0.00 -0.01 0.00 0.00 64.34 64.90 2rqa n VAL 618 Cb 0.09 -1.49 0.05 0.00 -0.91 0.00 0.00 33.84 31.58 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 8.44 0.00 0.00 3.52 6.55 -1.74 -3.48 115.95 129.24 2rqa h TRP 619 Ca -0.45 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.39 2rqa h TRP 619 Cb 1.30 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.60 2rqa h TRP 619 CO 0.83 0.26 0.00 0.41 -1.05 0.00 0.00 178.44 178.89 2rqa n GLY 620 N 1.21 0.32 3.22 1.49 0.00 -1.23 -2.98 105.19 107.21 2rqa n GLY 620 Ca 0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 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 1.49 -0.05 0.99 -0.00 -1.21 -0.08 118.68 119.82 2rqa s LEU 621 Ca 0.00 -0.79 -0.15 0.00 -0.00 0.00 0.00 54.13 53.20 2rqa s LEU 621 Cb 0.00 0.91 -0.05 0.00 -0.00 0.00 0.00 46.19 47.04 2rqa s LEU 621 CO 0.00 -0.75 0.38 -1.58 -0.00 0.00 0.00 176.35 174.40 2rqa s GLN 622 N -3.91 4.01 -0.05 1.48 0.74 0.19 -1.08 119.66 121.04 2rqa s GLN 622 Ca 0.09 0.33 0.06 0.00 0.05 0.00 0.00 55.36 55.90 2rqa s GLN 622 Cb 0.05 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.86 2rqa s GLN 622 CO -0.07 0.54 -0.24 -1.64 -0.55 0.00 0.00 175.29 173.32 2rqa s MET 623 N -0.56 2.47 -0.13 1.67 -1.94 -0.02 0.18 119.30 120.98 2rqa s MET 623 Ca 0.22 -0.89 -0.02 0.00 -1.71 0.00 0.00 55.69 53.29 2rqa s MET 623 Cb -0.16 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.50 2rqa s MET 623 CO 0.11 0.43 -0.06 0.42 -0.01 0.00 0.00 175.02 175.91 2rqa s ILE 624 N -0.29 3.73 -0.09 2.53 1.09 0.65 -0.35 121.20 128.47 2rqa s ILE 624 Ca 0.00 -0.43 -0.02 0.00 -1.10 0.00 0.00 60.65 59.10 2rqa s ILE 624 Cb -0.13 -2.60 0.04 0.00 -1.06 0.00 0.00 42.46 38.71 2rqa s ILE 624 CO 0.02 0.53 0.04 -0.47 -0.10 0.00 0.00 174.94 174.97 2rqa s TYR 625 N 0.00 0.42 -1.72 3.97 5.04 -0.78 -0.56 117.35 123.72 2rqa s TYR 625 Ca -0.00 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 2rqa s TYR 625 Cb -0.13 -0.70 0.00 0.00 0.35 0.00 0.00 41.96 41.48 2rqa s TYR 625 CO 0.03 -0.34 0.00 1.63 -1.34 0.00 0.00 175.55 175.53 2rqa n LYS 626 N 5.21 -1.52 -1.69 4.97 4.76 -1.26 -0.72 118.16 127.90 2rqa n LYS 626 Ca -0.06 0.96 0.00 0.00 -2.87 0.00 0.00 58.31 56.34 2rqa n LYS 626 Cb 0.49 -5.36 0.00 0.00 -1.84 0.00 0.00 35.03 28.32 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 -1.20 -1.41 -3.91 4.39 3.41 -1.26 -5.07 113.62 108.57 2rqa n SER 627 Ca -0.18 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.14 2rqa n SER 627 Cb 0.58 -0.35 -0.16 0.00 -0.26 0.00 0.00 64.21 64.02 2rqa n SER 627 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2rqa s VAL 628 N -2.65 1.28 -0.67 -3.33 1.01 0.10 -5.07 120.40 111.07 2rqa s VAL 628 Ca 0.00 -0.91 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 2rqa s VAL 628 Cb 0.00 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2rqa s VAL 628 CO 0.00 0.01 1.52 -0.54 0.00 0.00 0.00 175.10 176.08 2rqa s LYS 629 N 1.53 2.99 -0.25 2.72 -0.14 -1.26 -1.86 119.74 123.47 2rqa s LYS 629 Ca -0.02 0.16 0.02 0.00 -1.36 0.00 0.00 55.97 54.76 2rqa s LYS 629 Cb -0.17 -4.25 0.05 0.00 -1.68 0.00 0.00 37.83 31.78 2rqa s LYS 629 CO -0.07 -2.35 -0.11 -0.51 -0.76 0.00 0.00 175.35 171.55 2rqa s LEU 630 N 7.05 3.31 0.21 3.17 1.43 0.52 -4.67 118.68 129.70 2rqa s LEU 630 Ca 0.49 -1.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 2rqa s LEU 630 Cb -0.10 -1.57 -0.08 0.00 0.03 0.00 0.00 46.19 44.47 2rqa s LEU 630 CO 0.18 -0.17 1.11 -2.16 0.23 0.00 0.00 176.35 175.54 2rqa s PRO 631 N 1.16 4.60 -0.55 1.29 0.04 -1.26 -0.84 135.00 139.45 2rqa s PRO 631 Ca -0.06 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.59 2rqa s PRO 631 Cb -0.19 -3.25 0.14 0.00 0.04 0.00 0.00 34.50 31.24 2rqa s PRO 631 CO -0.06 0.10 0.48 0.08 0.04 0.00 0.00 177.00 177.65 2rqa s VAL 632 N -0.48 4.94 0.45 -0.36 1.01 -0.24 -2.82 120.40 122.89 2rqa s VAL 632 Ca 0.48 -1.69 0.08 0.00 0.00 0.00 0.00 61.98 60.85 2rqa s VAL 632 Cb -0.30 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 31.91 2rqa s VAL 632 CO 0.37 -0.86 0.54 -0.76 0.00 0.00 0.00 175.10 174.39 2rqa s LEU 633 N 1.38 3.45 0.00 3.92 2.01 -1.24 -3.28 118.68 124.92 2rqa s LEU 633 Ca 0.05 -0.62 0.00 0.00 0.01 0.00 0.00 54.13 53.57 2rqa s LEU 633 Cb -0.27 -2.25 0.00 0.00 0.01 0.00 0.00 46.19 43.68 2rqa s LEU 633 CO 0.01 -0.84 0.00 0.29 1.01 0.00 0.00 176.35 176.82 2rqa n LYS 634 N -1.82 2.21 -0.04 1.70 4.01 -1.16 -4.74 118.16 118.33 2rqa n LYS 634 Ca 0.07 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.83 2rqa n LYS 634 Cb 0.60 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 35.06 2rqa n LYS 634 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2rqa n VAL 635 N -0.39 0.56 1.18 -0.18 0.24 -1.26 -4.12 118.33 114.36 2rqa n VAL 635 Ca 0.00 -0.34 0.11 0.00 -2.04 0.00 0.00 64.34 62.07 2rqa n VAL 635 Cb 0.00 -0.79 0.59 0.00 -1.47 0.00 0.00 33.84 32.18 2rqa n VAL 635 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2rqa n ARG 636 N -2.32 0.48 -0.00 7.34 1.85 -0.54 -2.05 116.66 121.42 2rqa n ARG 636 Ca -0.13 0.05 0.03 0.00 -1.00 0.00 0.00 57.85 56.79 2rqa n ARG 636 Cb 0.76 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.64 2rqa n ARG 636 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2rqa n SER 637 N -1.16 0.75 -4.45 2.89 3.41 -1.26 -4.86 113.62 108.94 2rqa n SER 637 Ca 0.13 -0.55 -0.33 0.00 -0.26 0.00 0.00 58.87 57.86 2rqa n SER 637 Cb 0.13 1.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.99 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 -1.67 3.16 -0.31 4.33 -1.94 -0.87 -2.72 119.30 119.27 2rqa s MET 638 Ca 0.02 -0.63 -0.06 0.00 -1.71 0.00 0.00 55.69 53.31 2rqa s MET 638 Cb 0.04 -2.63 0.03 0.00 2.01 0.00 0.00 34.83 34.29 2rqa s MET 638 CO 0.24 0.38 0.07 -1.17 -0.01 0.00 0.00 175.02 174.53 2rqa s LEU 639 N -0.07 4.02 -0.42 -0.03 0.20 0.12 -4.54 118.68 117.96 2rqa s LEU 639 Ca -0.01 -1.00 -0.29 0.00 0.69 0.00 0.00 54.13 53.52 2rqa s LEU 639 Cb -0.14 -1.84 0.03 0.00 -0.43 0.00 0.00 46.19 43.81 2rqa s LEU 639 CO 0.03 -0.26 1.12 -0.76 -0.29 0.00 0.00 176.35 176.20 2rqa s LEU 640 N 1.41 3.73 0.18 -0.68 2.01 -0.90 -2.57 118.68 121.86 2rqa s LEU 640 Ca -0.01 0.67 -0.30 0.00 0.01 0.00 0.00 54.13 54.51 2rqa s LEU 640 Cb -0.19 -3.55 -0.08 0.00 0.01 0.00 0.00 46.19 42.39 2rqa s LEU 640 CO 0.02 -1.13 1.14 -1.61 1.01 0.00 0.00 176.35 175.77 2rqa s GLU 641 N 4.20 4.56 0.05 1.70 2.02 -1.22 -2.07 118.70 127.93 2rqa s GLU 641 Ca 0.47 1.78 -0.03 0.00 0.02 0.00 0.00 54.97 57.22 2rqa s GLU 641 Cb -0.09 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 2rqa s GLU 641 CO 0.26 0.02 0.02 0.95 0.02 0.00 0.00 175.26 176.53 2rqa s THR 642 N -0.20 0.19 -0.30 3.63 -4.23 -1.26 -4.07 115.64 109.39 2rqa s THR 642 Ca 0.50 -1.56 0.27 0.00 -1.18 0.00 0.00 61.69 59.73 2rqa s THR 642 Cb -0.31 -1.32 0.34 0.00 1.34 0.00 0.00 72.50 72.55 2rqa s THR 642 CO 0.36 -0.86 1.79 1.55 -0.54 0.00 0.00 174.62 176.91 2rqa h PRO 643 N 3.26 0.00 -0.00 3.99 0.13 -1.92 -2.61 132.00 134.85 2rqa h PRO 643 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2rqa h PRO 643 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2rqa h PRO 643 CO 0.61 0.00 -0.34 1.04 -0.23 0.00 0.00 178.00 179.07 2rqa n GLN 644 N -2.83 0.33 0.00 0.86 6.02 -1.26 -4.99 117.38 115.51 2rqa n GLN 644 Ca 0.03 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2rqa n GLN 644 Cb 0.39 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.15 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 1.43 4.02 3.29 1.08 0.00 -0.98 -5.09 105.19 108.93 2rqa n GLY 645 Ca 0.09 -1.25 -0.38 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 -0.35 0.14 -4.19 1.61 1.74 -1.26 -4.29 116.66 110.06 2rqa n ARG 646 Ca 0.00 0.06 -0.17 0.00 -0.77 0.00 0.00 57.85 56.98 2rqa n ARG 646 Cb 0.00 -1.30 -0.15 0.00 -1.02 0.00 0.00 32.46 30.00 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 -1.94 0.47 -0.20 0.55 1.01 -0.88 -4.91 121.20 115.29 2rqa s ILE 647 Ca 0.58 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 2rqa s ILE 647 Cb -0.40 -0.40 0.06 0.00 0.01 0.00 0.00 42.46 41.73 2rqa s ILE 647 CO 0.65 0.14 0.03 -1.58 0.00 0.00 0.00 174.94 174.18 2rqa s GLN 648 N -0.07 0.76 0.40 2.79 -0.44 -1.26 -2.12 119.66 119.72 2rqa s GLN 648 Ca 0.01 -0.51 0.07 0.00 -2.50 0.00 0.00 55.36 52.44 2rqa s GLN 648 Cb -0.03 -2.16 -0.08 0.00 -1.64 0.00 0.00 33.01 29.10 2rqa s GLN 648 CO -0.00 -0.65 0.01 0.00 0.50 0.00 0.00 175.29 175.15 2rqa s ALA 649 N 1.80 3.17 -0.34 1.58 0.00 -1.26 -5.04 121.76 121.67 2rqa s ALA 649 Ca -0.01 -2.28 0.04 0.00 0.00 0.00 0.00 51.96 49.71 2rqa s ALA 649 Cb -0.17 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 2rqa s ALA 649 CO -0.08 -0.10 0.40 1.63 0.00 0.00 0.00 175.76 177.60 2rqa n LYS 650 N -0.97 2.60 -4.62 0.00 5.02 -1.26 -1.46 118.16 117.47 2rqa n LYS 650 Ca -0.05 -0.38 -0.24 0.00 -2.02 0.00 0.00 58.31 55.62 2rqa n LYS 650 Cb 0.67 -0.88 -0.16 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.82 1.53 0.23 1.97 3.01 -1.26 -4.36 119.74 120.03 2rqa s LYS 651 Ca 0.03 -0.45 0.19 0.00 -1.01 0.00 0.00 55.97 54.74 2rqa s LYS 651 Cb 0.03 -1.32 0.92 0.00 -1.01 0.00 0.00 37.83 36.45 2rqa s LYS 651 CO 0.10 0.12 1.60 0.91 0.51 0.00 0.00 175.35 178.59 2rqa n TRP 652 N 3.45 0.62 0.39 3.18 7.02 -1.26 -0.82 117.44 130.02 2rqa n TRP 652 Ca -0.20 0.28 0.11 0.00 -1.02 0.00 0.00 57.50 56.67 2rqa n TRP 652 Cb 0.53 -0.95 0.46 0.00 -2.42 0.00 0.00 31.31 28.93 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 -2.10 0.54 -0.03 -0.99 2.88 -1.26 -1.99 113.62 110.67 2rqa n SER 653 Ca 0.01 0.64 0.04 0.00 -1.33 0.00 0.00 58.87 58.23 2rqa n SER 653 Cb 0.12 -0.75 -0.14 0.00 -0.75 0.00 0.00 64.21 62.69 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 -2.11 0.73 -1.49 -1.46 5.12 -0.00 -4.99 116.66 112.46 2rqa n ARG 654 Ca 0.02 -0.13 -0.58 0.00 -1.93 0.00 0.00 57.85 55.23 2rqa n ARG 654 Cb 0.20 -1.44 -0.08 0.00 -1.16 0.00 0.00 32.46 29.98 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 -2.28 0.12 -0.01 1.55 0.31 -0.84 -4.87 118.33 112.30 2rqa n VAL 655 Ca -0.10 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.08 2rqa n VAL 655 Cb 0.65 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.48 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 2.87 -0.07 -7.23 5.55 0.13 -1.93 -3.46 132.00 127.85 2rqa h PRO 656 Ca -0.49 0.01 -0.43 0.00 -0.87 0.00 0.00 66.00 64.21 2rqa h PRO 656 Cb 1.43 0.02 0.19 0.00 0.13 0.00 0.00 31.00 32.77 2rqa h PRO 656 CO 0.64 0.53 0.06 -0.59 -0.23 0.00 0.00 178.00 178.42 2rqa s PHE 657 N -3.09 1.19 0.13 1.56 -0.71 -1.25 -4.76 117.98 111.05 2rqa s PHE 657 Ca -0.15 0.91 0.11 0.00 -1.04 0.00 0.00 56.93 56.76 2rqa s PHE 657 Cb -0.00 -3.17 -0.04 0.00 -1.21 0.00 0.00 43.02 38.59 2rqa s PHE 657 CO 0.56 -3.77 -0.26 -1.12 -1.34 0.00 0.00 175.22 169.30 2rqa s SER 658 N -3.10 3.40 -0.25 1.98 0.01 -1.26 -5.04 113.70 109.43 2rqa s SER 658 Ca 0.68 -0.72 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 2rqa s SER 658 Cb -0.19 -0.26 0.13 0.00 0.21 0.00 0.00 66.02 65.90 2rqa s SER 658 CO 0.60 0.18 0.34 0.54 0.41 0.00 0.00 173.24 175.32 2rqa s VAL 659 N -1.07 -0.53 0.86 3.43 0.11 -1.26 -4.85 120.40 117.09 2rqa s VAL 659 Ca 0.15 -0.17 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 2rqa s VAL 659 Cb -0.10 -0.84 0.11 0.00 -1.53 0.00 0.00 36.38 34.02 2rqa s VAL 659 CO 0.07 -0.21 1.12 -2.16 -3.33 0.00 0.00 175.10 170.58 2rqa s PRO 660 N 2.48 1.57 0.92 1.54 0.04 -1.26 -4.04 135.00 136.25 2rqa s PRO 660 Ca 0.11 0.45 -0.10 0.00 0.04 0.00 0.00 61.00 61.50 2rqa s PRO 660 Cb -0.15 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.67 2rqa s PRO 660 CO -0.20 -1.93 1.14 0.16 0.04 0.00 0.00 177.00 176.21 2rqa s ASP 661 N -3.97 2.86 0.73 6.66 3.84 -1.26 0.00 116.67 125.54 2rqa s ASP 661 Ca 0.62 2.17 -0.15 0.00 -0.00 0.00 0.00 52.55 55.19 2rqa s ASP 661 Cb -0.15 -2.56 0.04 0.00 -1.38 0.00 0.00 42.92 38.87 2rqa s ASP 661 CO 0.54 -3.14 1.24 0.12 -0.00 0.00 0.00 175.17 173.93 2rqa s PHE 662 N -2.65 1.94 -0.46 2.11 5.36 0.55 -4.59 117.98 120.25 2rqa s PHE 662 Ca 0.67 1.58 0.07 0.00 -0.96 0.00 0.00 56.93 58.29 2rqa s PHE 662 Cb -0.23 -3.58 0.24 0.00 -0.34 0.00 0.00 43.02 39.11 2rqa s PHE 662 CO 0.58 -2.86 0.55 -0.40 -1.46 0.00 0.00 175.22 171.63 2rqa n ASP 663 N -2.64 1.00 -0.58 6.13 3.85 -1.26 -4.90 116.55 118.15 2rqa n ASP 663 Ca 0.14 -2.84 0.46 0.00 -0.71 0.00 0.00 54.79 51.85 2rqa n ASP 663 Cb 0.49 -0.64 0.71 0.00 -1.35 0.00 0.00 41.12 40.34 2rqa n ASP 663 CO 0.00 0.00 0.00 0.33 -1.01 0.00 0.00 177.20 176.52 2rqa n PHE 664 N 1.46 0.00 0.04 2.11 7.35 -1.26 0.17 117.46 127.33 2rqa n PHE 664 Ca 0.24 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.82 2rqa n PHE 664 Cb 0.49 -0.43 -0.06 0.00 0.35 0.00 0.00 39.48 39.83 2rqa n PHE 664 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2rqa h LEU 665 N 0.00 -0.12 0.03 -2.13 3.38 -1.98 0.39 115.31 114.89 2rqa h LEU 665 Ca 0.82 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.64 2rqa h LEU 665 Cb 3.52 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 44.32 2rqa h LEU 665 CO -0.01 -0.06 -0.86 -0.61 0.09 0.00 0.00 178.44 177.00 2rqa h GLN 666 N -0.06 0.07 -0.87 1.13 4.15 0.13 -2.79 115.11 116.86 2rqa h GLN 666 Ca 0.02 -0.12 0.18 0.00 0.77 0.00 0.00 58.65 59.51 2rqa h GLN 666 Cb 0.09 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 27.72 2rqa h GLN 666 CO -0.06 1.06 0.42 1.25 -1.93 0.00 0.00 178.83 179.57 2rqa h HIS 667 N -0.81 0.71 -0.13 3.99 2.76 -0.40 1.36 115.15 122.63 2rqa h HIS 667 Ca -0.21 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.95 2rqa h HIS 667 Cb 1.33 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 30.10 2rqa h HIS 667 CO 0.17 0.07 -0.07 0.00 -1.30 0.00 0.00 177.93 176.79 2rqa n ALA 669 N -2.38 1.38 0.21 0.00 0.00 0.40 0.58 120.51 120.71 2rqa n ALA 669 Ca -0.06 0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.43 2rqa n ALA 669 Cb 0.30 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.56 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 0.72 -0.00 0.00 1.02 0.44 -4.48 120.64 116.59 2rqa n GLU 670 Ca 0.02 -0.67 0.05 0.00 -0.02 0.00 0.00 57.16 56.54 2rqa n GLU 670 Cb 0.11 -1.03 -0.08 0.00 -0.02 0.00 0.00 31.44 30.42 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 0.05 2.53 -4.49 1.62 5.03 0.50 -4.99 115.26 115.50 2rqa n ASN 671 Ca 0.03 -0.01 -0.22 0.00 0.87 0.00 0.00 54.58 55.25 2rqa n ASN 671 Cb 0.12 1.48 0.11 0.00 -1.02 0.00 0.00 39.78 40.47 2rqa n ASN 671 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2rqa n LEU 672 N -1.86 0.00 -0.46 3.41 4.77 0.20 -5.00 117.00 118.06 2rqa n LEU 672 Ca -0.02 -2.07 0.13 0.00 -0.03 0.00 0.00 56.01 54.02 2rqa n LEU 672 Cb 0.28 -0.60 0.26 0.00 -2.33 0.00 0.00 43.42 41.03 2rqa n LEU 672 CO 0.22 -0.95 0.60 -1.20 -1.33 0.00 0.00 177.39 174.74 2rqa n SER 673 N -2.86 1.66 -0.56 -1.43 7.64 -1.26 -4.27 113.62 112.54 2rqa n SER 673 Ca 0.16 -1.33 0.45 0.00 1.01 0.00 0.00 58.87 59.16 2rqa n SER 673 Cb 0.57 0.19 0.74 0.00 -1.01 0.00 0.00 64.21 64.69 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 2.24 0.12 0.00 6.43 -0.00 -1.90 -0.99 116.42 122.32 2rqa h ASP 674 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.12 2rqa h ASP 674 Cb 0.64 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.07 2rqa h ASP 674 CO 0.00 -0.15 0.00 0.18 -0.00 0.00 0.00 179.24 179.27 2rqa n LEU 675 N -4.43 0.21 -3.50 2.28 4.32 -1.26 -4.98 117.00 109.65 2rqa n LEU 675 Ca 0.42 0.54 -0.15 0.00 -0.02 0.00 0.00 56.01 56.80 2rqa n LEU 675 Cb 1.73 -0.08 -0.04 0.00 -1.62 0.00 0.00 43.42 43.40 2rqa n LEU 675 CO 0.29 -0.08 0.39 -0.44 -1.22 0.00 0.00 177.39 176.32 2rqa s SER 676 N -1.94 -0.58 -0.05 -1.43 0.01 -0.38 -5.09 113.70 104.24 2rqa s SER 676 Ca 0.00 0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.59 2rqa s SER 676 Cb 0.00 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 2rqa s SER 676 CO 0.00 -0.76 -0.04 -0.07 0.41 0.00 0.00 173.24 172.78 2rqa h LEU 677 N 2.60 0.00 0.00 2.44 4.07 -1.94 -3.45 115.31 119.02 2rqa h LEU 677 Ca -0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2rqa h LEU 677 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2rqa h LEU 677 CO 0.39 0.24 0.00 -0.67 -1.08 0.00 0.00 178.44 177.32