#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 4.59 -0.05 1.61 0.04 -1.26 -4.94 135.00 134.99 2rqa s PRO 543 Ca 0.00 1.75 0.14 0.00 0.04 0.00 0.00 61.00 62.93 2rqa s PRO 543 Cb 0.00 -3.26 -0.22 0.00 0.04 0.00 0.00 34.50 31.06 2rqa s PRO 543 CO 0.00 0.08 0.62 0.72 0.04 0.00 0.00 177.00 178.45 2rqa n HIS 544 N 2.18 0.88 -4.24 0.56 8.25 -1.26 -4.98 115.22 116.61 2rqa n HIS 544 Ca 0.02 0.32 -0.36 0.00 -0.26 0.00 0.00 57.72 57.44 2rqa n HIS 544 Cb 0.46 -1.15 -0.06 0.00 1.12 0.00 0.00 29.99 30.36 2rqa n HIS 544 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2rqa n MET 545 N -2.99 -0.79 -4.96 -0.41 2.81 -1.26 -4.92 117.12 104.60 2rqa n MET 545 Ca -0.18 0.09 -0.32 0.00 -1.81 0.00 0.00 57.70 55.48 2rqa n MET 545 Cb 1.03 -3.28 -0.14 0.00 -0.71 0.00 0.00 33.22 30.12 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 -7.39 2.53 -0.26 0.03 -2.07 -1.26 -5.10 119.66 106.13 2rqa s GLN 546 Ca 0.15 -0.74 -0.02 0.00 -1.82 0.00 0.00 55.36 52.93 2rqa s GLN 546 Cb -0.08 -2.34 0.12 0.00 -1.09 0.00 0.00 33.01 29.62 2rqa s GLN 546 CO 0.99 0.57 0.25 -0.06 -1.32 0.00 0.00 175.29 175.72 2rqa s PHE 547 N -0.59 -0.30 0.30 9.60 0.40 -1.26 -5.01 117.98 121.12 2rqa s PHE 547 Ca 0.08 -0.15 -0.29 0.00 -0.60 0.00 0.00 56.93 55.97 2rqa s PHE 547 Cb -0.11 -0.49 -0.09 0.00 0.51 0.00 0.00 43.02 42.83 2rqa s PHE 547 CO 0.01 -0.81 1.07 -1.25 0.70 0.00 0.00 175.22 174.94 2rqa s PRO 548 N 2.31 4.58 0.28 0.24 0.04 -1.26 -3.92 135.00 137.28 2rqa s PRO 548 Ca 0.09 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.88 2rqa s PRO 548 Cb -0.15 -3.08 0.68 0.00 0.04 0.00 0.00 34.50 31.99 2rqa s PRO 548 CO -0.27 0.18 1.72 -0.39 0.04 0.00 0.00 177.00 178.27 2rqa h VAL 549 N 2.94 0.55 -0.74 -0.36 -1.51 -1.87 0.91 116.25 116.17 2rqa h VAL 549 Ca -0.47 -0.16 0.15 0.00 -1.23 0.00 0.00 66.70 64.99 2rqa h VAL 549 Cb 1.21 0.04 -0.05 0.00 -2.13 0.00 0.00 31.29 30.36 2rqa h VAL 549 CO 0.66 0.09 0.49 1.05 -1.23 0.00 0.00 177.57 178.63 2rqa h GLU 550 N 0.47 0.37 0.00 5.19 4.11 -1.91 0.35 114.58 123.15 2rqa h GLU 550 Ca 0.53 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.79 2rqa h GLU 550 Cb 0.95 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2rqa h GLU 550 CO -0.48 0.25 -0.87 0.45 0.07 0.00 0.00 179.01 178.42 2rqa h HIS 551 N 0.38 0.00 -3.38 2.06 3.86 0.39 -3.44 115.15 115.03 2rqa h HIS 551 Ca 0.36 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.97 2rqa h HIS 551 Cb 0.86 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.24 2rqa h HIS 551 CO -0.00 0.67 0.27 0.08 0.86 0.00 0.00 177.93 179.81 2rqa s VAL 552 N -2.87 4.94 0.02 2.45 1.01 0.12 -4.13 120.40 121.94 2rqa s VAL 552 Ca 0.01 1.34 0.04 0.00 0.00 0.00 0.00 61.98 63.37 2rqa s VAL 552 Cb 0.08 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2rqa s VAL 552 CO 0.78 0.02 -0.06 -1.58 0.00 0.00 0.00 175.10 174.26 2rqa s GLN 553 N 2.38 2.52 -0.39 2.72 0.74 -1.11 -0.40 119.66 126.12 2rqa s GLN 553 Ca 0.31 -0.75 -0.24 0.00 0.05 0.00 0.00 55.36 54.73 2rqa s GLN 553 Cb -0.16 -2.49 0.02 0.00 1.10 0.00 0.00 33.01 31.48 2rqa s GLN 553 CO 0.09 0.59 0.85 -0.51 -0.55 0.00 0.00 175.29 175.77 2rqa s LEU 554 N -1.54 4.08 0.00 3.68 1.43 -0.47 -3.12 118.68 122.74 2rqa s LEU 554 Ca 0.18 0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.67 2rqa s LEU 554 Cb -0.11 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 2rqa s LEU 554 CO 0.09 -0.84 0.20 0.18 0.23 0.00 0.00 176.35 176.20 2rqa n LEU 555 N 6.69 0.00 -4.23 1.79 4.32 -0.81 0.69 117.00 125.45 2rqa n LEU 555 Ca 0.05 -3.22 -0.40 0.00 -0.02 0.00 0.00 56.01 52.41 2rqa n LEU 555 Cb 0.48 1.28 -0.09 0.00 -1.62 0.00 0.00 43.42 43.47 2rqa n LEU 555 CO 0.57 -0.51 -0.08 0.00 -1.22 0.00 0.00 177.39 176.16 2rqa n ILE 557 N 4.89 -0.11 0.04 0.00 -5.35 -1.11 0.29 119.36 118.02 2rqa n ILE 557 Ca -0.09 1.31 -0.03 0.00 -0.27 0.00 0.00 62.75 63.68 2rqa n ILE 557 Cb 0.42 -2.16 -0.01 0.00 -1.74 0.00 0.00 39.64 36.14 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 -0.16 0.04 7.28 4.21 -1.92 -3.41 115.58 121.63 2rqa h ASN 558 Ca 0.72 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 58.23 2rqa h ASN 558 Cb 2.57 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 39.81 2rqa h ASN 558 CO -0.21 0.19 -0.02 0.00 -1.29 0.00 0.00 177.43 176.11 2rqa n MET 560 N -2.61 -1.17 0.00 0.00 2.81 0.85 -4.87 117.12 112.13 2rqa n MET 560 Ca -0.01 0.15 0.04 0.00 -1.81 0.00 0.00 57.70 56.07 2rqa n MET 560 Cb 0.02 -3.08 0.01 0.00 -0.71 0.00 0.00 33.22 29.47 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 -1.74 0.00 -0.91 2.03 0.24 -1.26 -4.85 118.33 111.85 2rqa n VAL 561 Ca -0.04 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2rqa n VAL 561 Cb 0.53 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 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 0.00 -2.49 0.70 2.33 0.00 -1.26 -4.98 120.51 114.81 2rqa n ALA 562 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.55 2rqa n ALA 562 Cb 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 2rqa n ALA 562 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2rqa n VAL 563 N 0.45 0.00 -2.91 0.00 0.24 0.22 -4.93 118.33 111.39 2rqa n VAL 563 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 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 1.28 0.90 3.20 7.63 0.00 0.05 -4.63 105.19 113.62 2rqa n GLY 564 Ca 0.04 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 2rqa n GLY 564 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rqa s HIS 565 N -2.08 1.56 -2.00 1.61 0.09 -1.26 -1.36 115.29 111.85 2rqa s HIS 565 Ca 0.00 -0.36 0.24 0.00 -0.00 0.00 0.00 55.06 54.94 2rqa s HIS 565 Cb 0.00 -0.93 1.43 0.00 -0.00 0.00 0.00 32.58 33.08 2rqa s HIS 565 CO 0.00 0.07 1.81 0.41 -0.00 0.00 0.00 174.74 177.03 2rqa n GLY 566 N 1.88 -0.79 0.08 -2.22 0.00 0.46 -2.09 105.19 102.51 2rqa n GLY 566 Ca -0.17 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.97 1.94 -0.00 1.61 3.41 -1.24 -4.51 113.62 113.86 2rqa n SER 567 Ca 0.18 -1.83 0.04 0.00 -0.26 0.00 0.00 58.87 57.00 2rqa n SER 567 Cb 0.08 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.29 2.22 -4.92 4.04 4.64 -0.89 -4.97 116.55 116.38 2rqa n ASP 568 Ca 0.01 -0.21 -0.26 0.00 -1.38 0.00 0.00 54.79 52.95 2rqa n ASP 568 Cb 0.23 1.28 0.02 0.00 -1.04 0.00 0.00 41.12 41.62 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 -3.25 3.37 0.33 -2.67 0.05 -1.17 -3.96 118.68 111.38 2rqa s LEU 569 Ca -0.01 0.69 -0.02 0.00 0.05 0.00 0.00 54.13 54.83 2rqa s LEU 569 Cb 0.06 -3.55 -0.00 0.00 -2.05 0.00 0.00 46.19 40.65 2rqa s LEU 569 CO 0.36 -0.92 0.44 -0.13 -0.55 0.00 0.00 176.35 175.55 2rqa s ARG 570 N -4.88 1.85 -0.24 1.48 0.52 -0.32 -4.45 118.95 112.90 2rqa s ARG 570 Ca 0.52 -1.74 -0.06 0.00 -0.52 0.00 0.00 55.73 53.92 2rqa s ARG 570 Cb -0.10 0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.77 2rqa s ARG 570 CO 0.44 -0.75 0.03 0.15 0.02 0.00 0.00 175.30 175.19 2rqa s LYS 571 N -3.20 3.55 -0.33 3.54 1.02 0.21 -0.51 119.74 124.02 2rqa s LYS 571 Ca 0.31 -0.53 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 2rqa s LYS 571 Cb 0.00 -3.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 2rqa s LYS 571 CO 0.20 -0.20 1.19 0.08 -0.92 0.00 0.00 175.35 175.70 2rqa s VAL 572 N 1.57 4.29 -1.08 3.17 1.01 -1.02 0.21 120.40 128.56 2rqa s VAL 572 Ca 0.06 1.46 -0.09 0.00 0.00 0.00 0.00 61.98 63.41 2rqa s VAL 572 Cb -0.15 -4.31 0.08 0.00 0.00 0.00 0.00 36.38 32.00 2rqa s VAL 572 CO 0.01 -0.54 0.35 -1.84 0.00 0.00 0.00 175.10 173.08 2rqa n GLU 573 N 7.21 -2.70 -4.24 2.72 0.28 -1.26 0.28 120.64 122.93 2rqa n GLU 573 Ca 0.13 0.31 -0.36 0.00 -0.16 0.00 0.00 57.16 57.09 2rqa n GLU 573 Cb 0.47 -4.94 -0.03 0.00 1.43 0.00 0.00 31.44 28.37 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 -0.96 -0.41 0.51 -1.84 0.00 -1.23 -4.82 105.19 96.43 2rqa n GLY 574 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.36 1.07 -3.79 2.61 -1.04 0.14 -5.07 114.28 103.85 2rqa n THR 575 Ca 0.03 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2rqa n THR 575 Cb 0.51 -1.84 -0.10 0.00 -1.82 0.00 0.00 70.33 67.08 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 -2.38 -0.21 0.07 -1.42 3.76 -1.24 -5.01 115.29 108.87 2rqa s HIS 576 Ca -0.20 0.46 -0.31 0.00 -0.15 0.00 0.00 55.06 54.86 2rqa s HIS 576 Cb 0.06 0.07 -0.07 0.00 1.11 0.00 0.00 32.58 33.76 2rqa s HIS 576 CO 0.26 -0.23 1.34 -1.01 -0.85 0.00 0.00 174.74 174.26 2rqa s HIS 577 N -0.50 3.18 -0.04 1.40 3.76 -1.26 -2.43 115.29 119.40 2rqa s HIS 577 Ca -0.06 1.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.85 2rqa s HIS 577 Cb -0.04 -3.61 0.03 0.00 1.11 0.00 0.00 32.58 30.07 2rqa s HIS 577 CO 0.02 -2.12 -0.00 0.14 -0.85 0.00 0.00 174.74 171.92 2rqa s VAL 578 N 1.47 0.24 -0.18 -0.90 -7.23 0.34 -2.95 120.40 111.18 2rqa s VAL 578 Ca 0.63 0.08 -0.18 0.00 -1.81 0.00 0.00 61.98 60.69 2rqa s VAL 578 Cb -0.33 -0.34 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 2rqa s VAL 578 CO 0.29 0.17 0.51 0.21 -0.31 0.00 0.00 175.10 175.97 2rqa s ASN 579 N 1.18 6.58 -0.20 4.85 3.04 -1.16 -1.18 114.94 128.05 2rqa s ASN 579 Ca -0.07 0.70 -0.10 0.00 0.04 0.00 0.00 52.86 53.42 2rqa s ASN 579 Cb -0.13 -2.29 -0.05 0.00 -1.54 0.00 0.00 41.25 37.24 2rqa s ASN 579 CO -0.02 -0.14 0.13 -0.69 -3.04 0.00 0.00 177.10 173.34 2rqa s VAL 580 N 1.42 5.39 0.00 -5.21 1.01 -1.25 -4.08 120.40 117.68 2rqa s VAL 580 Ca 0.24 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2rqa s VAL 580 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2rqa s VAL 580 CO 0.10 0.44 0.00 -3.20 0.00 0.00 0.00 175.10 172.43 2rqa n ASN 581 N 3.56 0.00 0.00 3.32 5.15 -1.26 -4.72 115.26 121.31 2rqa n ASN 581 Ca -0.16 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.64 2rqa n ASN 581 Cb 0.52 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.67 2rqa n ASN 581 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2rqa h PRO 582 N 0.00 0.56 0.00 1.20 0.13 -1.98 -2.99 132.00 128.92 2rqa h PRO 582 Ca 0.00 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2rqa h PRO 582 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2rqa h PRO 582 CO 0.00 1.17 0.05 -0.91 -0.23 0.00 0.00 178.00 178.08 2rqa h ASN 583 N 0.15 0.00 -0.16 1.44 2.35 -1.96 0.18 115.58 117.58 2rqa h ASN 583 Ca -0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 2rqa h ASN 583 Cb 1.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.74 2rqa h ASN 583 CO 0.14 0.00 -0.01 0.15 -1.65 0.00 0.00 177.43 176.06 2rqa h PHE 584 N 0.00 0.43 0.00 1.19 3.57 -1.78 -1.48 116.94 118.86 2rqa h PHE 584 Ca 0.00 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2rqa h PHE 584 Cb 0.09 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 2rqa h PHE 584 CO 0.00 0.44 -0.00 1.03 -2.23 0.00 0.00 178.31 177.55 2rqa h SER 585 N 0.40 0.00 0.49 0.41 0.87 -1.12 0.47 113.55 115.08 2rqa h SER 585 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2rqa h SER 585 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2rqa h SER 585 CO 0.01 0.00 -0.27 0.59 -0.53 0.00 0.00 176.83 176.64 2rqa n ASN 586 N -4.34 0.52 -0.88 6.23 3.02 -0.58 -3.29 115.26 115.95 2rqa n ASN 586 Ca -0.03 -0.35 0.11 0.00 -0.03 0.00 0.00 54.58 54.28 2rqa n ASN 586 Cb 0.09 0.02 0.10 0.00 -0.61 0.00 0.00 39.78 39.38 2rqa n ASN 586 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2rqa n TYR 587 N -1.18 0.04 -3.46 3.10 4.01 0.16 -4.83 117.16 115.00 2rqa n TYR 587 Ca 0.09 -0.02 -0.12 0.00 -0.16 0.00 0.00 57.90 57.70 2rqa n TYR 587 Cb 0.32 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.77 -0.50 -0.12 -0.72 -0.85 -0.65 -0.34 117.35 112.40 2rqa s TYR 588 Ca 0.26 0.40 -0.01 0.00 -0.52 0.00 0.00 57.07 57.20 2rqa s TYR 588 Cb 0.18 0.53 0.03 0.00 0.38 0.00 0.00 41.96 43.09 2rqa s TYR 588 CO 0.27 -0.73 -0.02 -0.80 -1.52 0.00 0.00 175.55 172.75 2rqa s ASN 589 N -2.45 2.16 0.33 -0.18 0.01 -1.12 -4.65 114.94 109.04 2rqa s ASN 589 Ca 0.01 -0.36 -0.28 0.00 -0.71 0.00 0.00 52.86 51.52 2rqa s ASN 589 Cb -0.01 -0.65 -0.09 0.00 0.41 0.00 0.00 41.25 40.91 2rqa s ASN 589 CO -0.09 -0.19 1.14 -0.69 -1.51 0.00 0.00 177.10 175.76 2rqa s VAL 590 N 1.83 3.33 0.78 1.60 1.01 -1.26 -3.96 120.40 123.73 2rqa s VAL 590 Ca 0.03 1.25 -0.16 0.00 0.00 0.00 0.00 61.98 63.11 2rqa s VAL 590 Cb -0.14 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2rqa s VAL 590 CO -0.07 0.23 0.40 -0.24 0.00 0.00 0.00 175.10 175.42 2rqa n SER 591 N 0.73 -1.75 0.10 3.32 2.88 -1.17 -4.90 113.62 112.82 2rqa n SER 591 Ca 0.01 0.51 -0.09 0.00 -1.33 0.00 0.00 58.87 57.97 2rqa n SER 591 Cb 0.45 -1.18 -0.05 0.00 -0.75 0.00 0.00 64.21 62.69 2rqa n SER 591 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2rqa h ARG 592 N -0.65 -0.44 -6.08 -1.46 3.08 -1.95 -3.43 114.38 103.45 2rqa h ARG 592 Ca -0.45 0.03 -0.59 0.00 0.07 0.00 0.00 59.98 59.04 2rqa h ARG 592 Cb 1.34 0.10 0.18 0.00 0.08 0.00 0.00 29.97 31.67 2rqa h ARG 592 CO 0.40 -0.29 -1.07 -0.25 -1.07 0.00 0.00 179.97 177.68 2rqa n ASP 593 N -4.01 -3.37 0.00 7.04 8.00 -1.26 -4.94 116.55 118.01 2rqa n ASP 593 Ca -0.05 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.10 2rqa n ASP 593 Cb 0.23 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 2rqa n ASP 593 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2rqa n PRO 594 N 1.30 0.00 -4.04 -0.24 -0.04 -1.26 -4.86 135.00 125.86 2rqa n PRO 594 Ca 0.08 0.40 -0.28 0.00 -0.04 0.00 0.00 63.50 63.65 2rqa n PRO 594 Cb 0.47 -1.02 -0.17 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.24 1.34 -0.37 0.52 1.01 -1.25 -4.19 120.40 116.21 2rqa s VAL 595 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2rqa s VAL 595 Cb 0.00 -1.28 0.13 0.00 0.00 0.00 0.00 36.38 35.23 2rqa s VAL 595 CO 0.00 0.42 0.21 -0.69 0.00 0.00 0.00 175.10 175.03 2rqa s VAL 596 N 1.49 0.61 0.15 2.92 1.01 -1.26 -5.10 120.40 120.22 2rqa s VAL 596 Ca 0.03 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.09 2rqa s VAL 596 Cb -0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2rqa s VAL 596 CO -0.08 -0.92 0.04 -0.63 0.00 0.00 0.00 175.10 173.51 2rqa s ILE 597 N 0.93 0.34 -0.25 2.22 -1.09 -1.26 -4.97 121.20 117.13 2rqa s ILE 597 Ca 0.17 -1.94 -0.15 0.00 -2.23 0.00 0.00 60.65 56.49 2rqa s ILE 597 Cb -0.23 -2.09 -0.15 0.00 -1.58 0.00 0.00 42.46 38.41 2rqa s ILE 597 CO -0.03 -0.46 -0.13 -0.46 -1.23 0.00 0.00 174.94 172.64 2rqa n ASN 598 N -0.16 1.93 -4.69 3.58 0.23 -1.26 -4.94 115.26 109.95 2rqa n ASN 598 Ca -0.06 0.34 -0.34 0.00 -0.53 0.00 0.00 54.58 53.99 2rqa n ASN 598 Cb 0.64 -0.85 -0.09 0.00 -2.08 0.00 0.00 39.78 37.39 2rqa n ASN 598 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2rqa s LYS 599 N -2.46 2.94 0.13 -3.83 2.36 -1.26 -5.11 119.74 112.50 2rqa s LYS 599 Ca -0.35 -0.46 0.04 0.00 -2.55 0.00 0.00 55.97 52.65 2rqa s LYS 599 Cb 0.11 -2.77 -0.04 0.00 -1.05 0.00 0.00 37.83 34.09 2rqa s LYS 599 CO 0.54 0.68 0.14 0.08 1.55 0.00 0.00 175.35 178.35 2rqa s VAL 600 N -0.94 4.67 0.37 4.02 1.01 -1.26 -5.01 120.40 123.27 2rqa s VAL 600 Ca 0.15 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2rqa s VAL 600 Cb -0.11 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 2rqa s VAL 600 CO 0.05 -0.01 -0.04 -0.36 0.00 0.00 0.00 175.10 174.74 2rqa s PHE 601 N -1.61 2.46 -0.16 5.22 0.40 -1.26 -5.07 117.98 117.96 2rqa s PHE 601 Ca 0.31 -0.58 -0.10 0.00 -0.60 0.00 0.00 56.93 55.97 2rqa s PHE 601 Cb -0.11 -1.57 -0.07 0.00 0.51 0.00 0.00 43.02 41.78 2rqa s PHE 601 CO 0.24 0.52 -0.23 1.63 0.70 0.00 0.00 175.22 178.07 2rqa n LYS 602 N -0.88 0.38 -0.33 0.44 4.01 -1.26 -4.54 118.16 115.98 2rqa n LYS 602 Ca -0.05 0.16 0.27 0.00 -0.51 0.00 0.00 58.31 58.18 2rqa n LYS 602 Cb 0.65 -1.14 0.50 0.00 -0.51 0.00 0.00 35.03 34.53 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2rqa h ASP 603 N -0.65 0.10 -5.06 4.39 3.32 -2.00 -3.41 116.42 113.11 2rqa h ASP 603 Ca -0.35 0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2rqa h ASP 603 Cb 1.22 0.33 -0.09 0.00 0.22 0.00 0.00 39.33 41.00 2rqa h ASP 603 CO -0.21 -0.40 0.10 -1.66 -1.72 0.00 0.00 179.24 175.34 2rqa s TRP 604 N -5.67 -0.17 0.18 4.55 1.48 -1.26 -4.95 118.94 113.11 2rqa s TRP 604 Ca -0.10 -0.18 0.05 0.00 -1.06 0.00 0.00 56.10 54.81 2rqa s TRP 604 Cb 0.32 0.48 -0.04 0.00 -1.16 0.00 0.00 33.47 33.08 2rqa s TRP 604 CO 0.78 -0.99 0.16 -1.59 -4.06 0.00 0.00 176.95 171.25 2rqa s LYS 605 N -3.87 2.93 1.02 3.25 -2.85 -0.98 -4.20 119.74 115.03 2rqa s LYS 605 Ca 0.09 -0.90 -0.16 0.00 -1.00 0.00 0.00 55.97 54.01 2rqa s LYS 605 Cb -0.02 -2.64 0.20 0.00 -2.06 0.00 0.00 37.83 33.31 2rqa s LYS 605 CO -0.01 0.47 1.19 -1.25 0.10 0.00 0.00 175.35 175.84 2rqa s PRO 606 N -3.28 0.25 0.00 1.78 0.04 -1.26 -1.68 135.00 130.84 2rqa s PRO 606 Ca 0.31 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2rqa s PRO 606 Cb -0.10 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2rqa s PRO 606 CO 0.24 -2.74 0.00 0.41 0.04 0.00 0.00 177.00 174.95 2rqa n GLY 607 N -2.33 1.26 3.50 0.56 0.00 0.42 -4.43 105.19 104.17 2rqa n GLY 607 Ca 0.11 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.41 -0.51 0.04 -0.02 0.00 -1.20 -3.88 107.32 101.33 2rqa s GLY 608 Ca 0.00 1.32 -0.33 0.00 0.00 0.00 0.00 44.72 45.71 2rqa s GLY 608 CO 0.00 1.00 1.82 -0.62 0.00 0.00 0.00 173.10 175.30 2rqa n VAL 609 N 1.37 0.42 -3.41 1.40 0.31 -1.26 0.66 118.33 117.83 2rqa n VAL 609 Ca -0.18 -0.08 -0.35 0.00 -0.01 0.00 0.00 64.34 63.72 2rqa n VAL 609 Cb 0.57 -1.92 -0.06 0.00 -0.91 0.00 0.00 33.84 31.52 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 3.08 4.91 -0.02 2.52 1.01 -0.66 -3.06 121.20 128.99 2rqa s ILE 610 Ca 0.86 0.76 0.00 0.00 0.00 0.00 0.00 60.65 62.28 2rqa s ILE 610 Cb -0.60 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.16 2rqa s ILE 610 CO 0.44 0.27 -0.00 -0.94 0.00 0.00 0.00 174.94 174.71 2rqa s SER 611 N -1.69 0.30 -0.06 3.58 1.04 -1.25 -1.83 113.70 113.78 2rqa s SER 611 Ca 0.36 -0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.48 2rqa s SER 611 Cb -0.15 -0.13 -0.07 0.00 0.10 0.00 0.00 66.02 65.77 2rqa s SER 611 CO 0.19 -0.06 2.05 0.00 0.98 0.00 0.00 173.24 176.40 2rqa h ARG 613 N 12.23 0.00 -0.12 0.00 2.43 -1.01 1.47 114.38 129.38 2rqa h ARG 613 Ca -0.46 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.62 2rqa h ARG 613 Cb 1.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2rqa h ARG 613 CO 0.95 0.29 -0.31 -0.91 -1.51 0.00 0.00 179.97 178.48 2rqa h ASN 614 N 0.00 0.24 0.00 -3.80 2.35 -1.88 -3.43 115.58 109.07 2rqa h ASN 614 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2rqa h ASN 614 Cb 0.79 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.09 2rqa h ASN 614 CO 0.04 0.55 0.00 0.00 -1.65 0.00 0.00 177.43 176.37 2rqa n GLY 616 N 2.03 0.36 3.42 0.00 0.00 0.50 -4.93 105.19 106.57 2rqa n GLY 616 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 0.16 -1.66 1.61 4.07 -1.26 -3.62 120.64 119.94 2rqa n GLU 617 Ca 0.00 0.02 -0.46 0.00 -0.06 0.00 0.00 57.16 56.66 2rqa n GLU 617 Cb 0.00 -1.71 -0.04 0.00 -0.06 0.00 0.00 31.44 29.63 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 7.18 0.26 -0.10 6.31 0.31 -1.26 -2.89 118.33 128.15 2rqa n VAL 618 Ca 0.58 -0.07 -0.17 0.00 -0.01 0.00 0.00 64.34 64.68 2rqa n VAL 618 Cb 0.06 -1.44 -0.08 0.00 -0.91 0.00 0.00 33.84 31.47 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 2.90 0.92 0.00 3.52 8.01 -0.76 -4.93 117.44 127.10 2rqa n TRP 619 Ca 0.16 0.40 0.00 0.00 -1.31 0.00 0.00 57.50 56.74 2rqa n TRP 619 Cb 0.28 -0.98 0.00 0.00 -2.01 0.00 0.00 31.31 28.60 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 1.48 -1.08 3.43 6.99 0.00 -1.23 -4.13 105.19 110.65 2rqa n GLY 620 Ca -0.25 0.73 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.15 0.03 0.99 0.20 -1.20 -1.65 118.68 116.90 2rqa s LEU 621 Ca 0.00 -0.21 -0.19 0.00 0.69 0.00 0.00 54.13 54.41 2rqa s LEU 621 Cb 0.00 2.30 -0.06 0.00 -0.43 0.00 0.00 46.19 48.00 2rqa s LEU 621 CO 0.00 -0.97 0.56 -1.58 -0.29 0.00 0.00 176.35 174.07 2rqa s GLN 622 N -3.80 4.23 -0.07 1.98 0.74 0.21 -0.73 119.66 122.23 2rqa s GLN 622 Ca 0.04 0.70 0.04 0.00 0.05 0.00 0.00 55.36 56.18 2rqa s GLN 622 Cb -0.00 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.82 2rqa s GLN 622 CO -0.10 0.52 -0.18 -1.64 -0.55 0.00 0.00 175.29 173.34 2rqa s MET 623 N -0.69 2.14 -0.01 1.67 -1.94 0.62 0.16 119.30 121.26 2rqa s MET 623 Ca 0.29 -0.64 -0.01 0.00 -1.71 0.00 0.00 55.69 53.62 2rqa s MET 623 Cb -0.19 -1.75 -0.04 0.00 2.01 0.00 0.00 34.83 34.87 2rqa s MET 623 CO 0.17 0.18 0.11 0.42 -0.01 0.00 0.00 175.02 175.89 2rqa s ILE 624 N 0.28 4.93 -0.27 2.53 1.09 -0.68 -0.14 121.20 128.95 2rqa s ILE 624 Ca -0.11 -0.33 -0.01 0.00 -1.10 0.00 0.00 60.65 59.10 2rqa s ILE 624 Cb -0.15 -3.27 0.15 0.00 -1.06 0.00 0.00 42.46 38.14 2rqa s ILE 624 CO 0.04 0.35 0.44 -0.47 -0.10 0.00 0.00 174.94 175.21 2rqa s TYR 625 N -1.23 -1.08 -1.02 3.97 5.04 -0.98 -2.32 117.35 119.73 2rqa s TYR 625 Ca 0.24 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 55.83 2rqa s TYR 625 Cb -0.12 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.32 2rqa s TYR 625 CO 0.15 -0.82 0.00 1.63 -1.34 0.00 0.00 175.55 175.17 2rqa n LYS 626 N 5.38 -0.78 -1.77 4.97 4.76 -1.26 -2.53 118.16 126.94 2rqa n LYS 626 Ca -0.02 0.81 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 2rqa n LYS 626 Cb 0.50 -4.75 0.00 0.00 -1.84 0.00 0.00 35.03 28.95 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 0.17 -1.43 -3.86 4.39 3.41 -1.26 -5.07 113.62 109.96 2rqa n SER 627 Ca -0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.23 2rqa n SER 627 Cb 0.34 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.70 1.06 -0.66 -3.33 1.01 -1.05 -5.07 120.40 109.65 2rqa s VAL 628 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 2rqa s VAL 628 Cb 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2rqa s VAL 628 CO 0.00 0.01 1.72 -0.54 0.00 0.00 0.00 175.10 176.29 2rqa s LYS 629 N 1.64 2.77 -0.28 2.72 -0.14 -1.26 -2.32 119.74 122.87 2rqa s LYS 629 Ca -0.01 0.34 -0.02 0.00 -1.36 0.00 0.00 55.97 54.92 2rqa s LYS 629 Cb -0.16 -4.39 0.04 0.00 -1.68 0.00 0.00 37.83 31.64 2rqa s LYS 629 CO -0.07 -2.62 -0.02 -0.51 -0.76 0.00 0.00 175.35 171.37 2rqa s LEU 630 N 8.27 3.66 0.22 3.17 1.43 0.81 -4.84 118.68 131.40 2rqa s LEU 630 Ca 0.59 -1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 2rqa s LEU 630 Cb -0.11 -1.70 -0.08 0.00 0.03 0.00 0.00 46.19 44.32 2rqa s LEU 630 CO 0.18 -0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.49 2rqa s PRO 631 N 1.29 4.61 -0.59 1.29 0.04 -1.26 -0.28 135.00 140.10 2rqa s PRO 631 Ca -0.03 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 2rqa s PRO 631 Cb -0.19 -3.24 0.14 0.00 0.04 0.00 0.00 34.50 31.26 2rqa s PRO 631 CO -0.02 0.12 0.55 0.08 0.04 0.00 0.00 177.00 177.77 2rqa s VAL 632 N -0.57 5.27 0.46 -0.36 1.01 0.10 -2.99 120.40 123.32 2rqa s VAL 632 Ca 0.48 -1.66 0.08 0.00 0.00 0.00 0.00 61.98 60.88 2rqa s VAL 632 Cb -0.30 -4.36 0.03 0.00 0.00 0.00 0.00 36.38 31.74 2rqa s VAL 632 CO 0.37 -0.90 0.63 -0.76 0.00 0.00 0.00 175.10 174.45 2rqa s LEU 633 N 1.37 3.52 0.00 3.92 2.01 -1.15 -3.22 118.68 125.12 2rqa s LEU 633 Ca 0.06 -0.47 0.00 0.00 0.01 0.00 0.00 54.13 53.72 2rqa s LEU 633 Cb -0.27 -2.47 0.00 0.00 0.01 0.00 0.00 46.19 43.47 2rqa s LEU 633 CO 0.01 -0.91 0.02 2.29 1.01 0.00 0.00 176.35 178.77 2rqa n LYS 634 N -1.97 1.63 -0.09 1.70 2.85 -1.26 -4.62 118.16 116.39 2rqa n LYS 634 Ca 0.10 -0.32 -0.16 0.00 -1.05 0.00 0.00 58.31 56.88 2rqa n LYS 634 Cb 0.60 0.06 -0.08 0.00 -0.65 0.00 0.00 35.03 34.96 2rqa n LYS 634 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2rqa n VAL 635 N -0.40 1.04 0.19 0.58 0.24 -1.26 -3.62 118.33 115.09 2rqa n VAL 635 Ca -0.01 -0.34 0.07 0.00 -2.04 0.00 0.00 64.34 62.02 2rqa n VAL 635 Cb 0.06 -1.39 0.33 0.00 -1.47 0.00 0.00 33.84 31.36 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 -3.37 0.08 -0.00 7.34 1.85 0.22 -0.62 116.66 122.15 2rqa n ARG 636 Ca -0.34 0.50 0.07 0.00 -1.00 0.00 0.00 57.85 57.08 2rqa n ARG 636 Cb 0.81 -1.72 -0.10 0.00 -1.05 0.00 0.00 32.46 30.40 2rqa n ARG 636 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2rqa n SER 637 N -1.88 1.46 -4.61 2.89 2.88 -1.26 -4.86 113.62 108.24 2rqa n SER 637 Ca 0.00 -0.20 -0.34 0.00 -1.33 0.00 0.00 58.87 57.00 2rqa n SER 637 Cb 0.07 1.50 -0.10 0.00 -0.75 0.00 0.00 64.21 64.92 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2rqa s MET 638 N -2.83 3.45 -0.07 -1.46 -1.94 0.21 -2.74 119.30 113.91 2rqa s MET 638 Ca -0.03 -0.43 -0.11 0.00 -1.71 0.00 0.00 55.69 53.41 2rqa s MET 638 Cb 0.10 -2.93 -0.05 0.00 2.01 0.00 0.00 34.83 33.96 2rqa s MET 638 CO 0.59 0.45 0.28 -1.17 -0.01 0.00 0.00 175.02 175.16 2rqa s LEU 639 N -0.17 4.41 -0.67 -0.03 2.96 0.11 -4.61 118.68 120.68 2rqa s LEU 639 Ca 0.05 0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 54.58 2rqa s LEU 639 Cb -0.13 -2.34 0.17 0.00 0.50 0.00 0.00 46.19 44.39 2rqa s LEU 639 CO 0.02 0.33 0.53 -0.76 -1.32 0.00 0.00 176.35 175.15 2rqa s LEU 640 N -0.85 5.80 -0.09 -0.68 1.43 -0.90 -1.92 118.68 121.46 2rqa s LEU 640 Ca 0.19 -2.67 -0.30 0.00 -1.03 0.00 0.00 54.13 50.32 2rqa s LEU 640 Cb -0.14 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2rqa s LEU 640 CO 0.08 -0.48 1.29 -1.61 0.23 0.00 0.00 176.35 175.86 2rqa s GLU 641 N 0.21 4.28 0.12 1.70 2.02 -1.18 -1.67 118.70 124.17 2rqa s GLU 641 Ca 0.16 1.75 0.03 0.00 0.02 0.00 0.00 54.97 56.92 2rqa s GLU 641 Cb -0.18 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.34 2rqa s GLU 641 CO -0.05 -0.60 -0.08 0.95 0.02 0.00 0.00 175.26 175.50 2rqa s THR 642 N 2.87 0.90 -2.00 3.63 -4.23 -1.26 -2.76 115.64 112.78 2rqa s THR 642 Ca 0.58 -1.96 0.21 0.00 -1.18 0.00 0.00 61.69 59.34 2rqa s THR 642 Cb -0.25 -1.72 0.60 0.00 1.34 0.00 0.00 72.50 72.47 2rqa s THR 642 CO 0.20 -0.80 1.68 -0.81 -0.54 0.00 0.00 174.62 174.35 2rqa n PRO 643 N -0.06 0.75 0.00 3.99 -0.04 -1.26 -1.93 135.00 136.45 2rqa n PRO 643 Ca -0.12 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.40 2rqa n PRO 643 Cb 0.60 -1.44 0.03 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.94 1.16 0.00 0.54 6.02 -1.26 -5.07 117.38 117.83 2rqa n GLN 644 Ca 0.16 -0.91 0.00 0.00 -0.01 0.00 0.00 57.00 56.23 2rqa n GLN 644 Cb 0.07 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.18 2rqa n GLN 644 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rqa n GLY 645 N 0.73 3.74 3.59 1.08 0.00 -0.81 -5.08 105.19 108.43 2rqa n GLY 645 Ca 0.05 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.06 0.96 -3.79 1.61 1.74 -1.26 -4.17 116.66 111.68 2rqa n ARG 646 Ca 0.00 0.36 -0.22 0.00 -0.77 0.00 0.00 57.85 57.23 2rqa n ARG 646 Cb 0.00 -2.05 -0.17 0.00 -1.02 0.00 0.00 32.46 29.22 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 -1.48 0.28 -0.30 0.55 1.01 -0.67 -4.95 121.20 115.64 2rqa s ILE 647 Ca 0.71 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.50 2rqa s ILE 647 Cb -0.46 -0.45 0.05 0.00 0.01 0.00 0.00 42.46 41.61 2rqa s ILE 647 CO 0.51 0.23 -0.00 -1.58 0.00 0.00 0.00 174.94 174.10 2rqa s GLN 648 N 1.86 2.44 0.30 2.79 -0.44 -1.26 -2.13 119.66 123.22 2rqa s GLN 648 Ca 0.03 -1.26 0.10 0.00 -2.50 0.00 0.00 55.36 51.73 2rqa s GLN 648 Cb -0.12 -3.17 -0.05 0.00 -1.64 0.00 0.00 33.01 28.03 2rqa s GLN 648 CO -0.04 -0.61 -0.01 0.00 0.50 0.00 0.00 175.29 175.12 2rqa s ALA 649 N 1.25 3.15 -0.27 1.58 0.00 -1.26 -4.99 121.76 121.22 2rqa s ALA 649 Ca -0.05 -1.81 0.10 0.00 0.00 0.00 0.00 51.96 50.19 2rqa s ALA 649 Cb -0.20 -0.56 -0.12 0.00 0.00 0.00 0.00 23.12 22.24 2rqa s ALA 649 CO -0.01 0.18 0.33 1.63 0.00 0.00 0.00 175.76 177.88 2rqa n LYS 650 N -0.90 2.42 -4.92 0.00 5.02 -1.26 0.70 118.16 119.22 2rqa n LYS 650 Ca -0.05 -0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 55.90 2rqa n LYS 650 Cb 0.60 -1.06 -0.17 0.00 -0.02 0.00 0.00 35.03 34.39 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 -2.21 2.75 0.60 1.97 -0.14 -1.26 -4.31 119.74 117.15 2rqa s LYS 651 Ca 0.01 -0.77 0.39 0.00 -1.36 0.00 0.00 55.97 54.24 2rqa s LYS 651 Cb 0.07 -2.15 1.88 0.00 -1.68 0.00 0.00 37.83 35.95 2rqa s LYS 651 CO 0.39 0.09 2.17 -1.49 -0.76 0.00 0.00 175.35 175.75 2rqa h TRP 652 N 6.96 0.00 0.00 3.18 4.06 -1.96 0.05 115.95 128.24 2rqa h TRP 652 Ca -0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.70 2rqa h TRP 652 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 2rqa h TRP 652 CO 0.47 0.00 0.00 1.03 -3.56 0.00 0.00 178.44 176.38 2rqa h SER 653 N 0.00 0.00 0.00 -3.49 0.87 -2.01 -2.11 113.55 106.81 2rqa h SER 653 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 2rqa h SER 653 Cb 0.26 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 2rqa h SER 653 CO 0.00 0.00 -2.02 0.54 -0.53 0.00 0.00 176.83 174.82 2rqa n ARG 654 N -2.54 0.90 -1.47 2.24 5.12 -0.02 -5.00 116.66 115.89 2rqa n ARG 654 Ca 0.00 -0.08 -0.56 0.00 -1.93 0.00 0.00 57.85 55.28 2rqa n ARG 654 Cb 0.18 -1.44 -0.06 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 -2.40 0.61 0.03 1.55 0.31 -0.80 -4.88 118.33 112.75 2rqa n VAL 655 Ca -0.16 -0.15 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 2rqa n VAL 655 Cb 0.79 -0.01 -0.07 0.00 -0.91 0.00 0.00 33.84 33.64 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 2.40 -0.17 -7.09 5.55 0.13 -1.92 -3.46 132.00 127.45 2rqa h PRO 656 Ca -0.44 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.15 2rqa h PRO 656 Cb 1.43 0.04 0.15 0.00 0.13 0.00 0.00 31.00 32.75 2rqa h PRO 656 CO 0.63 0.25 0.55 -0.59 -0.23 0.00 0.00 178.00 178.61 2rqa s PHE 657 N -2.92 2.16 0.31 1.56 -0.12 -1.25 -4.85 117.98 112.87 2rqa s PHE 657 Ca -0.11 1.44 -0.19 0.00 -0.05 0.00 0.00 56.93 58.02 2rqa s PHE 657 Cb -0.00 -3.73 -0.09 0.00 -0.63 0.00 0.00 43.02 38.56 2rqa s PHE 657 CO 0.41 -2.91 0.80 -1.12 -0.05 0.00 0.00 175.22 172.34 2rqa s SER 658 N -1.23 6.95 -0.29 1.98 0.01 -1.26 -4.99 113.70 114.87 2rqa s SER 658 Ca 0.78 1.47 0.01 0.00 1.31 0.00 0.00 55.95 59.52 2rqa s SER 658 Cb -0.39 -2.44 0.09 0.00 0.21 0.00 0.00 66.02 63.49 2rqa s SER 658 CO 0.43 -0.15 0.03 -0.69 0.41 0.00 0.00 173.24 173.26 2rqa s VAL 659 N -1.85 1.59 0.42 3.43 1.01 -1.26 -4.83 120.40 118.92 2rqa s VAL 659 Ca 0.52 -1.66 -0.23 0.00 0.00 0.00 0.00 61.98 60.61 2rqa s VAL 659 Cb -0.13 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 2rqa s VAL 659 CO 0.18 -0.45 1.05 -2.16 0.00 0.00 0.00 175.10 173.73 2rqa s PRO 660 N 1.29 4.06 0.33 2.72 0.04 -1.26 -4.47 135.00 137.71 2rqa s PRO 660 Ca 0.05 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 2rqa s PRO 660 Cb -0.18 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 2rqa s PRO 660 CO -0.13 -0.23 1.23 -0.51 0.04 0.00 0.00 177.00 177.41 2rqa s ASP 661 N -1.66 6.83 0.03 6.66 1.11 -1.26 0.63 116.67 129.01 2rqa s ASP 661 Ca 0.60 2.53 -0.30 0.00 0.18 0.00 0.00 52.55 55.56 2rqa s ASP 661 Cb -0.21 -2.64 -0.08 0.00 1.07 0.00 0.00 42.92 41.07 2rqa s ASP 661 CO 0.26 -0.48 1.69 0.12 1.18 0.00 0.00 175.17 177.94 2rqa s PHE 662 N -1.20 2.16 -0.32 4.23 2.19 0.13 -4.63 117.98 120.55 2rqa s PHE 662 Ca 0.50 0.18 -0.12 0.00 0.33 0.00 0.00 56.93 57.82 2rqa s PHE 662 Cb -0.36 -3.99 -0.03 0.00 -1.31 0.00 0.00 43.02 37.33 2rqa s PHE 662 CO 0.47 -4.09 0.22 0.34 1.83 0.00 0.00 175.22 174.00 2rqa s ASP 663 N 2.91 6.03 0.22 6.13 3.68 -1.26 -4.73 116.67 129.66 2rqa s ASP 663 Ca 0.76 -0.28 0.24 0.00 2.13 0.00 0.00 52.55 55.40 2rqa s ASP 663 Cb -0.38 -2.13 0.92 0.00 -1.45 0.00 0.00 42.92 39.87 2rqa s ASP 663 CO 0.33 -0.17 1.73 0.33 0.13 0.00 0.00 175.17 177.52 2rqa n PHE 664 N 5.09 0.79 0.05 -5.34 7.35 -1.26 0.26 117.46 124.41 2rqa n PHE 664 Ca -0.13 0.28 -0.22 0.00 -0.76 0.00 0.00 57.45 56.61 2rqa n PHE 664 Cb 0.50 -0.95 -0.15 0.00 0.35 0.00 0.00 39.48 39.24 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 0.54 0.00 -2.13 3.38 -1.98 -3.14 115.31 111.98 2rqa h LEU 665 Ca 0.00 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 57.03 2rqa h LEU 665 Cb 0.50 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2rqa h LEU 665 CO 0.00 1.68 -0.25 -0.61 0.09 0.00 0.00 178.44 179.36 2rqa h GLN 666 N -0.09 0.00 -1.08 1.13 4.15 -1.94 -2.57 115.11 114.71 2rqa h GLN 666 Ca -0.30 0.00 0.29 0.00 0.77 0.00 0.00 58.65 59.41 2rqa h GLN 666 Cb 1.94 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 29.52 2rqa h GLN 666 CO 0.14 0.45 0.68 1.25 -1.93 0.00 0.00 178.83 179.43 2rqa h HIS 667 N -1.00 0.68 -0.10 3.99 2.76 -0.40 1.51 115.15 122.59 2rqa h HIS 667 Ca -0.05 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 2rqa h HIS 667 Cb 0.57 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.34 2rqa h HIS 667 CO 0.07 0.01 -0.24 0.00 -1.30 0.00 0.00 177.93 176.47 2rqa n ALA 669 N -2.47 1.59 0.05 0.00 0.00 0.20 0.26 120.51 120.14 2rqa n ALA 669 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 2rqa n ALA 669 Cb 0.44 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.49 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 0.18 0.00 0.00 5.08 0.22 0.32 114.58 120.37 2rqa h GLU 670 Ca 0.00 -0.30 -0.20 0.00 -1.00 0.00 0.00 59.36 57.86 2rqa h GLU 670 Cb 0.25 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2rqa h GLU 670 CO 0.00 1.01 -1.59 0.09 -1.00 0.00 0.00 179.01 177.53 2rqa n ASN 671 N -3.38 0.73 -0.09 1.42 3.02 -0.76 -4.45 115.26 111.75 2rqa n ASN 671 Ca -0.14 0.33 -0.12 0.00 -0.03 0.00 0.00 54.58 54.61 2rqa n ASN 671 Cb 1.03 0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 40.45 2rqa n ASN 671 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2rqa n LEU 672 N -2.86 1.85 -0.98 3.41 4.77 0.14 -4.96 117.00 118.37 2rqa n LEU 672 Ca -0.13 0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 2rqa n LEU 672 Cb 0.89 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2rqa n LEU 672 CO 0.43 -0.14 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.04 2rqa n SER 673 N -4.51 -4.98 0.30 -1.43 7.64 0.11 -4.82 113.62 105.92 2rqa n SER 673 Ca -0.19 0.32 0.16 0.00 1.01 0.00 0.00 58.87 60.17 2rqa n SER 673 Cb 0.47 -3.60 0.96 0.00 -1.01 0.00 0.00 64.21 61.03 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 0.00 6.43 -0.00 -1.90 -2.99 116.42 117.96 2rqa h ASP 674 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.77 2rqa h ASP 674 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.31 2rqa h ASP 674 CO 0.38 0.00 0.00 0.18 -0.00 0.00 0.00 179.24 179.80 2rqa n LEU 675 N -3.72 0.20 -3.54 2.28 4.32 -1.26 -4.99 117.00 110.29 2rqa n LEU 675 Ca -0.03 0.74 -0.11 0.00 -0.02 0.00 0.00 56.01 56.59 2rqa n LEU 675 Cb 0.10 -0.38 -0.04 0.00 -1.62 0.00 0.00 43.42 41.48 2rqa n LEU 675 CO 0.26 -0.38 0.68 -0.44 -1.22 0.00 0.00 177.39 176.30 2rqa s SER 676 N -2.14 -0.42 -0.04 -1.43 0.01 -1.13 -5.09 113.70 103.45 2rqa s SER 676 Ca 0.00 0.30 -0.02 0.00 1.31 0.00 0.00 55.95 57.54 2rqa s SER 676 Cb 0.00 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.60 2rqa s SER 676 CO 0.00 -0.49 -0.04 -0.07 0.41 0.00 0.00 173.24 173.04 2rqa h LEU 677 N 2.42 0.00 0.00 2.44 4.07 -1.95 -3.46 115.31 118.83 2rqa h LEU 677 Ca -0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.75 2rqa h LEU 677 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 2rqa h LEU 677 CO 0.32 0.23 0.00 -0.67 -1.08 0.00 0.00 178.44 177.25