#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgx n SER 547 N 0.00 0.25 -4.33 1.61 7.64 -1.26 -5.11 113.62 112.42 2dgx n SER 547 Ca 0.00 0.07 -0.17 0.00 1.01 0.00 0.00 58.87 59.77 2dgx n SER 547 Cb 0.00 -0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.05 2dgx n SER 547 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dgx s SER 548 N -5.24 2.23 0.00 6.43 0.15 -1.26 -5.10 113.70 110.92 2dgx s SER 548 Ca 0.00 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.57 2dgx s SER 548 Cb 0.00 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2dgx s SER 548 CO 0.00 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2dgx n GLY 549 N -0.37 2.08 3.01 9.45 0.00 -1.26 -5.17 105.19 112.93 2dgx n GLY 549 Ca -0.08 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 2dgx n GLY 549 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dgx s SER 550 N 0.00 1.00 0.18 1.61 0.15 -1.26 -5.05 113.70 110.33 2dgx s SER 550 Ca 0.00 -0.15 -0.15 0.00 0.70 0.00 0.00 55.95 56.35 2dgx s SER 550 Cb 0.00 -0.14 0.15 0.00 -1.71 0.00 0.00 66.02 64.32 2dgx s SER 550 CO 0.00 0.10 1.69 0.77 1.20 0.00 0.00 173.24 177.00 2dgx h SER 551 N 6.01 -0.16 -2.47 5.45 4.64 -2.07 -3.48 113.55 121.47 2dgx h SER 551 Ca -0.31 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2dgx h SER 551 Cb 1.18 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2dgx h SER 551 CO 0.50 -0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 2dgx n GLY 552 N -1.29 -2.37 0.07 -0.77 0.00 -1.26 -5.05 105.19 94.53 2dgx n GLY 552 Ca 0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 2dgx n GLY 552 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2dgx h ASN 553 N 0.00 0.00 0.00 1.61 -1.07 -1.96 -3.51 115.58 110.64 2dgx h ASN 553 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 56.30 56.23 2dgx h ASN 553 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2dgx h ASN 553 CO 0.00 0.82 0.00 0.61 0.07 0.00 0.00 177.43 178.93 2dgx n GLY 554 N 1.63 -0.58 2.96 9.14 0.00 -1.26 -5.12 105.19 111.95 2dgx n GLY 554 Ca -0.09 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 2dgx n GLY 554 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgx s ALA 555 N -1.00 -0.42 -0.22 4.61 0.00 -1.14 -4.67 121.76 118.92 2dgx s ALA 555 Ca 0.00 0.81 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 2dgx s ALA 555 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 2dgx s ALA 555 CO 0.00 -0.56 0.05 -0.51 0.00 0.00 0.00 175.76 174.74 2dgx s ASP 556 N 2.23 5.17 -0.34 0.00 1.01 -1.26 -0.68 116.67 122.80 2dgx s ASP 556 Ca 0.00 -0.14 -0.05 0.00 0.71 0.00 0.00 52.55 53.08 2dgx s ASP 556 Cb -0.12 -1.91 0.05 0.00 1.01 0.00 0.00 42.92 41.96 2dgx s ASP 556 CO -0.08 0.04 0.10 -0.69 0.21 0.00 0.00 175.17 174.75 2dgx s VAL 557 N 1.16 3.52 -0.00 -1.27 1.01 -0.02 -1.86 120.40 122.94 2dgx s VAL 557 Ca 0.04 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.37 2dgx s VAL 557 Cb -0.14 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2dgx s VAL 557 CO 0.03 -0.25 1.34 -1.10 0.00 0.00 0.00 175.10 175.12 2dgx s GLN 558 N 1.33 4.31 -0.14 2.72 -1.52 0.49 -0.88 119.66 125.97 2dgx s GLN 558 Ca -0.01 1.89 0.01 0.00 -1.95 0.00 0.00 55.36 55.31 2dgx s GLN 558 Cb -0.20 -3.53 0.00 0.00 -0.22 0.00 0.00 33.01 29.06 2dgx s GLN 558 CO 0.01 -0.52 -0.18 0.08 -0.25 0.00 0.00 175.29 174.43 2dgx s VAL 559 N 2.18 2.41 0.23 1.09 1.01 0.16 -1.42 120.40 126.06 2dgx s VAL 559 Ca 0.62 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2dgx s VAL 559 Cb -0.30 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 2dgx s VAL 559 CO 0.26 0.53 0.07 -0.44 0.00 0.00 0.00 175.10 175.52 2dgx s SER 560 N 0.75 1.22 -0.90 3.32 0.01 -0.84 -1.32 113.70 115.93 2dgx s SER 560 Ca -0.07 -1.32 -0.04 0.00 1.31 0.00 0.00 55.95 55.83 2dgx s SER 560 Cb -0.16 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.22 2dgx s SER 560 CO 0.00 -0.68 0.56 -3.20 0.41 0.00 0.00 173.24 170.34 2dgx n ASN 561 N -0.40 -4.57 -4.68 2.44 4.05 -1.26 -0.30 115.26 110.53 2dgx n ASN 561 Ca -0.02 -0.26 -0.41 0.00 0.45 0.00 0.00 54.58 54.35 2dgx n ASN 561 Cb 0.65 -3.30 -0.05 0.00 1.23 0.00 0.00 39.78 38.32 2dgx n ASN 561 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2dgx s ILE 562 N -3.07 4.97 -0.92 -1.44 1.01 -1.24 -3.79 121.20 116.72 2dgx s ILE 562 Ca 0.28 1.46 -0.25 0.00 0.00 0.00 0.00 60.65 62.15 2dgx s ILE 562 Cb -0.12 -4.06 -0.19 0.00 0.01 0.00 0.00 42.46 38.09 2dgx s ILE 562 CO 0.35 0.12 2.19 -0.90 0.00 0.00 0.00 174.94 176.70 2dgx n ASP 563 N 4.70 1.28 -0.41 3.58 5.68 -1.26 -4.64 116.55 125.47 2dgx n ASP 563 Ca 0.01 -1.98 0.35 0.00 -0.50 0.00 0.00 54.79 52.68 2dgx n ASP 563 Cb 0.50 -1.62 0.68 0.00 -1.14 0.00 0.00 41.12 39.54 2dgx n ASP 563 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2dgx h TYR 564 N 11.96 0.28 -1.13 2.11 -0.00 -1.88 -0.03 116.97 128.28 2dgx h TYR 564 Ca 0.00 0.01 0.42 0.00 -0.00 0.00 0.00 58.73 59.16 2dgx h TYR 564 Cb 1.00 -0.08 -0.14 0.00 -0.00 0.00 0.00 36.73 37.52 2dgx h TYR 564 CO 1.11 -0.03 0.69 0.54 -0.00 0.00 0.00 178.16 180.46 2dgx n ARG 565 N -4.37 -0.04 -2.41 0.10 1.74 -1.26 -4.33 116.66 106.09 2dgx n ARG 565 Ca 0.31 1.19 -0.33 0.00 -0.77 0.00 0.00 57.85 58.25 2dgx n ARG 565 Cb 1.32 -2.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 2dgx n ARG 565 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dgx s LEU 566 N -9.49 3.72 0.27 0.55 1.43 -0.03 -5.01 118.68 110.12 2dgx s LEU 566 Ca -0.07 1.80 -0.29 0.00 -1.03 0.00 0.00 54.13 54.53 2dgx s LEU 566 Cb 0.29 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.88 2dgx s LEU 566 CO 0.74 -0.80 1.22 -0.44 0.23 0.00 0.00 176.35 177.29 2dgx s SER 567 N -2.44 7.01 0.32 2.29 0.01 -1.26 -4.80 113.70 114.82 2dgx s SER 567 Ca 0.64 2.44 0.07 0.00 1.31 0.00 0.00 55.95 60.41 2dgx s SER 567 Cb -0.14 -2.63 0.89 0.00 0.21 0.00 0.00 66.02 64.35 2dgx s SER 567 CO 0.26 -0.37 1.62 0.03 0.41 0.00 0.00 173.24 175.18 2dgx h ARG 568 N 4.09 0.13 -0.74 12.44 3.08 -1.95 0.91 114.38 132.34 2dgx h ARG 568 Ca -0.47 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.52 2dgx h ARG 568 Cb 1.22 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2dgx h ARG 568 CO 0.69 0.09 0.24 -0.22 -1.07 0.00 0.00 179.97 179.70 2dgx h LYS 569 N 0.13 1.14 0.00 0.04 3.64 -1.99 0.12 116.57 119.66 2dgx h LYS 569 Ca 0.64 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 2dgx h LYS 569 Cb 1.43 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2dgx h LYS 569 CO -0.74 0.96 -0.07 1.49 -2.27 0.00 0.00 179.45 178.82 2dgx h GLU 570 N 1.10 0.00 0.00 1.90 4.57 0.29 -2.66 114.58 119.78 2dgx h GLU 570 Ca 0.24 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 2dgx h GLU 570 Cb 0.29 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 2dgx h GLU 570 CO -0.01 0.07 -0.44 -0.07 -1.18 0.00 0.00 179.01 177.38 2dgx h LEU 571 N 0.00 0.00 -1.37 1.64 3.38 0.13 -2.97 115.31 116.12 2dgx h LEU 571 Ca -0.00 -0.48 0.08 0.00 0.09 0.00 0.00 57.88 57.57 2dgx h LEU 571 Cb 0.78 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 2dgx h LEU 571 CO 0.01 0.99 0.49 0.06 0.09 0.00 0.00 178.44 180.08 2dgx h GLN 572 N -1.00 0.71 -0.13 1.13 -0.00 -0.86 -0.85 115.11 114.12 2dgx h GLN 572 Ca -0.10 -0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.45 2dgx h GLN 572 Cb 0.79 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.48 28.11 2dgx h GLN 572 CO -0.06 0.47 -0.14 -0.56 -0.00 0.00 0.00 178.83 178.55 2dgx h GLN 573 N 0.73 0.32 0.95 0.06 3.07 -1.62 -2.90 115.11 115.71 2dgx h GLN 573 Ca 0.34 -0.17 -0.04 0.00 0.09 0.00 0.00 58.65 58.86 2dgx h GLN 573 Cb 0.36 0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.93 2dgx h GLN 573 CO -0.12 0.72 -0.49 -0.07 0.09 0.00 0.00 178.83 178.96 2dgx h LEU 574 N -0.07 -1.19 -0.79 0.06 3.38 -1.23 -1.71 115.31 113.76 2dgx h LEU 574 Ca 0.02 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.19 2dgx h LEU 574 Cb 0.67 0.32 -0.15 0.00 0.09 0.00 0.00 40.66 41.59 2dgx h LEU 574 CO 0.03 -0.80 -0.27 -0.07 0.09 0.00 0.00 178.44 177.42 2dgx h LEU 575 N -1.31 -0.99 -0.62 1.67 3.38 -1.28 0.31 115.31 116.47 2dgx h LEU 575 Ca -0.13 0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2dgx h LEU 575 Cb 1.02 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 42.29 2dgx h LEU 575 CO 0.19 -0.28 0.32 -0.61 0.09 0.00 0.00 178.44 178.14 2dgx h GLN 576 N -0.04 0.56 -0.26 1.13 4.15 -1.39 -1.20 115.11 118.07 2dgx h GLN 576 Ca 0.34 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.77 2dgx h GLN 576 Cb 0.59 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 2dgx h GLN 576 CO -0.83 0.37 0.03 0.93 -1.93 0.00 0.00 178.83 177.40 2dgx h GLU 577 N 0.58 0.11 0.87 1.69 5.08 0.52 0.15 114.58 123.59 2dgx h GLU 577 Ca 0.29 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 2dgx h GLU 577 Cb 0.23 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2dgx h GLU 577 CO -0.21 0.07 -0.44 0.00 -1.00 0.00 0.00 179.01 177.44 2dgx h ALA 578 N 1.20 -1.31 -0.74 3.43 0.00 -0.66 -2.13 119.26 119.06 2dgx h ALA 578 Ca 0.12 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 54.96 2dgx h ALA 578 Cb 0.14 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2dgx h ALA 578 CO -0.18 -1.23 0.51 0.74 0.00 0.00 0.00 179.25 179.09 2dgx h PHE 579 N -1.19 0.18 -0.54 0.00 0.04 -1.16 0.01 116.94 114.28 2dgx h PHE 579 Ca -0.12 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 2dgx h PHE 579 Cb 0.92 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 2dgx h PHE 579 CO 0.01 0.06 0.14 0.00 -0.60 0.00 0.00 178.31 177.92 2dgx h ALA 580 N 1.65 0.71 -0.39 2.45 0.00 -0.31 -2.20 119.26 121.16 2dgx h ALA 580 Ca 0.36 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.17 2dgx h ALA 580 Cb 1.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2dgx h ALA 580 CO -0.05 0.40 0.38 0.00 0.00 0.00 0.00 179.25 179.98 2dgx h ARG 581 N 0.75 0.00 0.00 0.00 3.08 -0.33 -3.02 114.38 114.87 2dgx h ARG 581 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2dgx h ARG 581 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2dgx h ARG 581 CO 0.00 0.00 -0.09 0.45 -1.07 0.00 0.00 179.97 179.26 2dgx h HIS 582 N 0.00 0.00 0.00 3.04 3.86 -1.44 -3.50 115.15 117.11 2dgx h HIS 582 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2dgx h HIS 582 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2dgx h HIS 582 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2dgx n GLY 583 N 1.81 2.97 2.79 2.45 0.00 -0.88 -5.07 105.19 109.26 2dgx n GLY 583 Ca -0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 2dgx n GLY 583 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dgx s LYS 584 N 3.43 0.92 0.69 1.61 2.47 -1.26 -4.61 119.74 122.99 2dgx s LYS 584 Ca 0.00 -0.96 -0.17 0.00 -1.56 0.00 0.00 55.97 53.29 2dgx s LYS 584 Cb 0.00 -2.21 -0.01 0.00 -1.46 0.00 0.00 37.83 34.15 2dgx s LYS 584 CO 0.00 -0.83 0.92 0.28 0.16 0.00 0.00 175.35 175.88 2dgx n VAL 585 N 4.82 2.99 -0.04 4.02 0.31 -1.26 -1.52 118.33 127.65 2dgx n VAL 585 Ca -0.05 -0.41 -0.07 0.00 -0.01 0.00 0.00 64.34 63.80 2dgx n VAL 585 Cb 0.44 -1.08 -0.03 0.00 -0.91 0.00 0.00 33.84 32.26 2dgx n VAL 585 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2dgx n LYS 586 N -1.53 0.17 -3.82 5.55 4.81 0.12 -4.48 118.16 118.98 2dgx n LYS 586 Ca 0.13 0.06 -0.05 0.00 -0.87 0.00 0.00 58.31 57.58 2dgx n LYS 586 Cb 0.49 -0.91 -0.00 0.00 0.02 0.00 0.00 35.03 34.63 2dgx n LYS 586 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2dgx s SER 587 N -5.30 -0.13 -0.09 3.14 0.01 -1.08 -4.97 113.70 105.29 2dgx s SER 587 Ca -0.10 -0.65 -0.03 0.00 1.31 0.00 0.00 55.95 56.48 2dgx s SER 587 Cb 0.03 0.62 0.05 0.00 0.21 0.00 0.00 66.02 66.94 2dgx s SER 587 CO 0.14 -1.19 0.15 -0.69 0.41 0.00 0.00 173.24 172.06 2dgx s VAL 588 N -3.08 -0.24 -0.15 3.43 1.01 -1.26 -1.14 120.40 118.97 2dgx s VAL 588 Ca 0.14 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 2dgx s VAL 588 Cb -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 2dgx s VAL 588 CO 0.06 0.12 -0.03 -1.61 0.00 0.00 0.00 175.10 173.63 2dgx s GLU 589 N 2.27 3.66 -0.09 2.72 2.02 0.29 -4.98 118.70 124.60 2dgx s GLU 589 Ca 0.04 -0.51 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 2dgx s GLU 589 Cb -0.12 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 2dgx s GLU 589 CO -0.06 0.26 -0.04 -0.51 0.02 0.00 0.00 175.26 174.93 2dgx s LEU 590 N 0.32 3.30 0.55 1.80 1.43 -1.26 -0.39 118.68 124.43 2dgx s LEU 590 Ca -0.04 0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 2dgx s LEU 590 Cb -0.14 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 2dgx s LEU 590 CO 0.03 0.33 1.06 -0.44 0.23 0.00 0.00 176.35 177.56 2dgx s SER 591 N -0.63 5.97 0.36 2.29 0.01 -0.54 -4.94 113.70 116.23 2dgx s SER 591 Ca 0.10 1.89 0.27 0.00 1.31 0.00 0.00 55.95 59.52 2dgx s SER 591 Cb -0.12 -2.55 1.14 0.00 0.21 0.00 0.00 66.02 64.70 2dgx s SER 591 CO 0.02 -1.04 1.81 1.55 0.41 0.00 0.00 173.24 176.00 2dgx h PRO 592 N 0.91 0.00 -7.02 12.44 0.13 -1.99 -3.46 132.00 133.02 2dgx h PRO 592 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 2dgx h PRO 592 Cb 1.22 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.54 2dgx h PRO 592 CO 0.58 0.00 0.04 0.72 -0.23 0.00 0.00 178.00 179.11 2dgx n HIS 593 N -2.53 0.43 -1.18 1.56 8.25 -1.26 -4.95 115.22 115.53 2dgx n HIS 593 Ca 0.01 0.37 0.02 0.00 -0.26 0.00 0.00 57.72 57.86 2dgx n HIS 593 Cb 0.25 -2.02 0.03 0.00 1.12 0.00 0.00 29.99 29.37 2dgx n HIS 593 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2dgx n THR 594 N -3.12 0.53 -4.56 1.59 5.66 -1.26 -4.83 114.28 108.28 2dgx n THR 594 Ca 0.12 -0.60 -0.24 0.00 -3.05 0.00 0.00 64.05 60.28 2dgx n THR 594 Cb 0.51 0.51 -0.05 0.00 -1.55 0.00 0.00 70.33 69.75 2dgx n THR 594 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2dgx n ASP 595 N -0.36 3.00 0.29 1.09 8.00 -1.26 -4.98 116.55 122.33 2dgx n ASP 595 Ca 0.03 -2.67 0.10 0.00 0.71 0.00 0.00 54.79 52.95 2dgx n ASP 595 Cb 0.55 0.28 0.53 0.00 -0.02 0.00 0.00 41.12 42.46 2dgx n ASP 595 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2dgx h TYR 596 N 1.21 0.00 -0.08 1.24 -0.00 -1.98 0.62 116.97 117.97 2dgx h TYR 596 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.41 2dgx h TYR 596 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.69 2dgx h TYR 596 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.20 2dgx n GLN 597 N -2.58 1.40 -2.01 0.10 6.02 -1.26 -4.66 117.38 114.39 2dgx n GLN 597 Ca -0.01 -0.39 -0.42 0.00 -0.01 0.00 0.00 57.00 56.16 2dgx n GLN 597 Cb 0.50 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 2dgx n GLN 597 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2dgx s LEU 598 N -0.61 4.34 0.47 1.08 2.96 0.22 -4.90 118.68 122.24 2dgx s LEU 598 Ca 0.07 2.34 0.03 0.00 -0.22 0.00 0.00 54.13 56.34 2dgx s LEU 598 Cb 0.05 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 2dgx s LEU 598 CO 0.03 -0.86 0.02 -0.54 -1.32 0.00 0.00 176.35 173.68 2dgx s LYS 599 N 3.01 2.09 -0.04 1.98 1.02 -1.26 -3.61 119.74 122.93 2dgx s LYS 599 Ca 0.72 -2.30 -0.29 0.00 0.02 0.00 0.00 55.97 54.12 2dgx s LYS 599 Cb -0.36 -1.42 0.11 0.00 -0.52 0.00 0.00 37.83 35.64 2dgx s LYS 599 CO 0.30 -0.30 0.90 0.00 -0.92 0.00 0.00 175.35 175.33 2dgx s ALA 600 N -2.90 -1.84 -0.15 5.17 0.00 -0.43 -1.47 121.76 120.14 2dgx s ALA 600 Ca 0.15 1.14 -0.00 0.00 0.00 0.00 0.00 51.96 53.25 2dgx s ALA 600 Cb 0.04 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.36 2dgx s ALA 600 CO 0.08 -0.60 -0.09 0.08 0.00 0.00 0.00 175.76 175.23 2dgx s VAL 601 N -2.63 1.27 -0.29 0.00 1.01 0.48 0.35 120.40 120.59 2dgx s VAL 601 Ca 0.03 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2dgx s VAL 601 Cb -0.01 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2dgx s VAL 601 CO -0.06 0.29 0.18 -0.69 0.00 0.00 0.00 175.10 174.83 2dgx s VAL 602 N 1.59 5.18 0.14 2.92 1.01 -0.06 -0.55 120.40 130.64 2dgx s VAL 602 Ca 0.03 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 2dgx s VAL 602 Cb -0.14 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 2dgx s VAL 602 CO -0.09 0.21 0.58 -1.10 0.00 0.00 0.00 175.10 174.71 2dgx s GLN 603 N 1.74 4.09 -0.01 2.72 1.11 -0.29 -0.84 119.66 128.17 2dgx s GLN 603 Ca 0.07 0.63 0.08 0.00 0.01 0.00 0.00 55.36 56.14 2dgx s GLN 603 Cb -0.16 -3.01 -0.02 0.00 -1.01 0.00 0.00 33.01 28.81 2dgx s GLN 603 CO 0.10 0.51 -0.25 -1.64 0.01 0.00 0.00 175.29 174.02 2dgx s MET 604 N -1.72 1.96 0.11 2.91 -1.94 0.15 0.15 119.30 120.91 2dgx s MET 604 Ca 0.36 -0.89 -0.30 0.00 -1.71 0.00 0.00 55.69 53.15 2dgx s MET 604 Cb -0.17 -1.91 -0.10 0.00 2.01 0.00 0.00 34.83 34.66 2dgx s MET 604 CO 0.19 0.52 1.61 0.93 -0.01 0.00 0.00 175.02 178.27 2dgx h GLU 605 N 5.46 -0.60 -6.08 2.03 4.39 -1.50 -3.03 114.58 115.25 2dgx h GLU 605 Ca -0.42 0.04 -0.59 0.00 0.34 0.00 0.00 59.36 58.72 2dgx h GLU 605 Cb 1.13 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 2dgx h GLU 605 CO 0.47 -0.40 -0.33 1.21 -1.16 0.00 0.00 179.01 178.80 2dgx s ASN 606 N -4.70 6.51 -0.01 1.42 2.47 -1.26 -4.62 114.94 114.76 2dgx s ASN 606 Ca -0.16 0.60 -0.23 0.00 0.42 0.00 0.00 52.86 53.48 2dgx s ASN 606 Cb 0.07 -2.10 -0.15 0.00 -1.45 0.00 0.00 41.25 37.63 2dgx s ASN 606 CO 0.64 0.13 1.05 0.25 -3.72 0.00 0.00 177.10 175.44 2dgx h LEU 607 N 3.27 -0.47 -0.58 3.21 7.12 -1.83 -3.24 115.31 122.79 2dgx h LEU 607 Ca -0.47 -0.11 0.10 0.00 0.13 0.00 0.00 57.88 57.52 2dgx h LEU 607 Cb 1.18 0.12 -0.08 0.00 -0.53 0.00 0.00 40.66 41.35 2dgx h LEU 607 CO 0.70 -0.06 0.16 -0.61 -0.13 0.00 0.00 178.44 178.50 2dgx h GLN 608 N -0.97 0.30 -1.32 1.25 5.75 -1.97 0.19 115.11 118.35 2dgx h GLN 608 Ca -0.06 -0.02 0.39 0.00 -0.15 0.00 0.00 58.65 58.81 2dgx h GLN 608 Cb 0.55 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.95 2dgx h GLN 608 CO 0.09 0.20 0.91 -0.44 -2.65 0.00 0.00 178.83 176.94 2dgx h ASP 609 N 0.31 0.15 0.00 -0.69 5.19 -1.98 0.12 116.42 119.51 2dgx h ASP 609 Ca 0.30 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.75 2dgx h ASP 609 Cb 0.41 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2dgx h ASP 609 CO -0.35 -0.02 -0.04 0.00 -3.12 0.00 0.00 179.24 175.71 2dgx h ALA 610 N 1.43 0.00 -0.78 3.45 0.00 -0.99 -2.93 119.26 119.45 2dgx h ALA 610 Ca 0.69 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2dgx h ALA 610 Cb 2.42 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 20.12 2dgx h ALA 610 CO -0.16 -0.06 -0.45 -0.89 0.00 0.00 0.00 179.25 177.69 2dgx n ILE 611 N -4.66 -0.52 -0.05 0.00 5.41 0.41 -0.39 119.36 119.55 2dgx n ILE 611 Ca -0.10 1.88 -0.12 0.00 1.00 0.00 0.00 62.75 65.41 2dgx n ILE 611 Cb 0.42 -2.32 -0.06 0.00 -0.71 0.00 0.00 39.64 36.97 2dgx n ILE 611 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2dgx h GLY 612 N 0.00 0.32 -0.32 7.39 0.00 -1.67 -2.85 103.07 105.93 2dgx h GLY 612 Ca 0.13 -0.25 0.31 0.00 0.00 0.00 0.00 47.33 47.52 2dgx h GLY 612 CO -0.73 0.23 0.76 0.00 0.00 0.00 0.00 176.54 176.80 2dgx h ALA 613 N 0.74 2.65 0.15 3.60 0.00 -0.58 0.58 119.26 126.39 2dgx h ALA 613 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2dgx h ALA 613 Cb 0.43 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2dgx h ALA 613 CO 0.01 -1.05 -0.07 0.28 0.00 0.00 0.00 179.25 178.42 2dgx h VAL 614 N 0.20 0.00 0.00 0.00 2.07 -0.54 0.18 116.25 118.16 2dgx h VAL 614 Ca 0.60 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.78 2dgx h VAL 614 Cb 1.92 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2dgx h VAL 614 CO -0.19 0.00 0.14 0.78 0.02 0.00 0.00 177.57 178.32 2dgx h ASN 615 N -0.54 0.00 0.00 0.57 2.35 -1.21 0.45 115.58 117.20 2dgx h ASN 615 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2dgx h ASN 615 Cb 0.15 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2dgx h ASN 615 CO 0.03 0.00 -0.47 0.28 -1.65 0.00 0.00 177.43 175.62 2dgx h SER 616 N 0.00 0.00 0.41 5.81 0.02 0.10 -3.36 113.55 116.53 2dgx h SER 616 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2dgx h SER 616 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2dgx h SER 616 CO 0.00 0.74 0.00 0.18 -1.14 0.00 0.00 176.83 176.61 2dgx n LEU 617 N -4.63 0.46 -4.65 5.07 4.77 0.63 -4.79 117.00 113.85 2dgx n LEU 617 Ca -0.07 0.65 -0.60 0.00 -0.03 0.00 0.00 56.01 55.96 2dgx n LEU 617 Cb 0.24 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.63 2dgx n LEU 617 CO 0.10 -0.62 1.03 1.57 -1.33 0.00 0.00 177.39 178.14 2dgx n HIS 618 N -2.05 1.56 -3.24 -1.77 -0.00 0.16 0.60 115.22 110.47 2dgx n HIS 618 Ca 0.01 0.85 -0.23 0.00 0.46 0.00 0.00 57.72 58.82 2dgx n HIS 618 Cb 0.14 -2.29 0.05 0.00 -0.12 0.00 0.00 29.99 27.78 2dgx n HIS 618 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2dgx n ARG 619 N 3.58 -6.09 -2.06 1.57 5.12 0.21 -4.90 116.66 114.09 2dgx n ARG 619 Ca 0.25 0.86 -0.43 0.00 -1.93 0.00 0.00 57.85 56.60 2dgx n ARG 619 Cb 0.07 -5.77 -0.03 0.00 -1.16 0.00 0.00 32.46 25.58 2dgx n ARG 619 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2dgx s TYR 620 N -3.23 1.97 -0.84 -1.55 5.04 0.20 -4.65 117.35 114.29 2dgx s TYR 620 Ca 0.41 0.56 -0.21 0.00 -2.44 0.00 0.00 57.07 55.39 2dgx s TYR 620 Cb -0.18 -4.07 -0.20 0.00 0.35 0.00 0.00 41.96 37.86 2dgx s TYR 620 CO 0.51 -2.96 2.35 1.17 -1.34 0.00 0.00 175.55 175.28 2dgx n LYS 621 N 8.02 0.41 -4.33 4.97 3.00 -1.26 -2.79 118.16 126.17 2dgx n LYS 621 Ca 0.21 -0.54 -0.26 0.00 -0.00 0.00 0.00 58.31 57.72 2dgx n LYS 621 Cb 0.46 -2.84 -0.09 0.00 0.00 0.00 0.00 35.03 32.55 2dgx n LYS 621 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2dgx s ILE 622 N 10.27 3.01 0.00 3.15 1.01 -1.20 -5.01 121.20 132.42 2dgx s ILE 622 Ca 1.06 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2dgx s ILE 622 Cb -0.37 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.58 2dgx s ILE 622 CO 0.24 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2dgx n GLY 623 N -0.12 1.41 0.09 6.18 0.00 -1.26 -0.86 105.19 110.63 2dgx n GLY 623 Ca -0.10 0.34 0.08 0.00 0.00 0.00 0.00 46.02 46.34 2dgx n GLY 623 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dgx n SER 624 N 2.18 2.11 -3.71 1.61 7.64 -1.26 -5.01 113.62 117.17 2dgx n SER 624 Ca 0.00 -2.84 -0.13 0.00 1.01 0.00 0.00 58.87 56.91 2dgx n SER 624 Cb 0.00 -0.35 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 2dgx n SER 624 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dgx s LYS 625 N -2.39 0.57 -0.20 1.43 1.02 -0.04 -4.96 119.74 115.16 2dgx s LYS 625 Ca 0.25 0.68 -0.29 0.00 0.02 0.00 0.00 55.97 56.63 2dgx s LYS 625 Cb 0.22 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.80 2dgx s LYS 625 CO 0.02 -0.07 1.20 0.15 -0.92 0.00 0.00 175.35 175.74 2dgx s LYS 626 N 0.28 4.21 0.31 1.68 1.02 -1.26 -3.25 119.74 122.72 2dgx s LYS 626 Ca -0.00 1.53 -0.28 0.00 0.02 0.00 0.00 55.97 57.24 2dgx s LYS 626 Cb -0.03 -3.74 -0.09 0.00 -0.52 0.00 0.00 37.83 33.44 2dgx s LYS 626 CO 0.00 -0.73 1.04 0.96 -0.92 0.00 0.00 175.35 175.71 2dgx s ILE 627 N 3.51 3.71 -0.31 2.17 -4.36 -1.12 -4.73 121.20 120.07 2dgx s ILE 627 Ca 0.52 1.59 -0.05 0.00 -0.26 0.00 0.00 60.65 62.45 2dgx s ILE 627 Cb -0.19 -3.96 0.03 0.00 1.25 0.00 0.00 42.46 39.59 2dgx s ILE 627 CO 0.13 0.28 0.06 -0.76 0.24 0.00 0.00 174.94 174.89 2dgx s LEU 628 N -1.75 3.97 0.12 0.37 1.43 0.58 0.66 118.68 124.07 2dgx s LEU 628 Ca 0.48 -1.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 2dgx s LEU 628 Cb -0.27 -1.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 2dgx s LEU 628 CO 0.35 -0.25 0.50 -0.69 0.23 0.00 0.00 176.35 176.48 2dgx s VAL 629 N 1.39 4.93 -0.27 -1.59 1.01 -1.26 -1.99 120.40 122.61 2dgx s VAL 629 Ca -0.01 0.71 -0.16 0.00 0.00 0.00 0.00 61.98 62.53 2dgx s VAL 629 Cb -0.19 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.57 2dgx s VAL 629 CO 0.01 0.26 0.67 -0.44 0.00 0.00 0.00 175.10 175.61 2dgx s SER 630 N -1.72 -0.92 0.89 3.32 0.01 -0.50 -4.83 113.70 109.95 2dgx s SER 630 Ca 0.36 1.48 -0.11 0.00 1.31 0.00 0.00 55.95 58.99 2dgx s SER 630 Cb -0.15 1.35 0.11 0.00 0.21 0.00 0.00 66.02 67.55 2dgx s SER 630 CO 0.19 -0.24 1.05 0.18 0.41 0.00 0.00 173.24 174.83 2dgx n LEU 631 N 4.31 3.09 -3.99 2.44 4.77 -1.26 -0.38 117.00 125.97 2dgx n LEU 631 Ca -0.20 0.45 -0.19 0.00 -0.03 0.00 0.00 56.01 56.04 2dgx n LEU 631 Cb 0.59 -1.45 -0.15 0.00 -2.33 0.00 0.00 43.42 40.08 2dgx n LEU 631 CO -0.01 -2.26 -0.43 0.00 -1.33 0.00 0.00 177.39 173.36 2dgx s ALA 632 N -2.46 0.74 -0.23 -1.18 0.00 -0.78 -4.66 121.76 113.20 2dgx s ALA 632 Ca 0.67 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 2dgx s ALA 632 Cb -0.25 -0.25 0.09 0.00 0.00 0.00 0.00 23.12 22.71 2dgx s ALA 632 CO 0.57 0.14 0.82 -0.08 0.00 0.00 0.00 175.76 177.21 2dgx s THR 633 N 0.06 0.00 0.00 0.00 -1.32 -1.26 -4.51 115.64 108.60 2dgx s THR 633 Ca -0.01 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 2dgx s THR 633 Cb -0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 2dgx s THR 633 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2dgx n GLY 634 N 2.13 1.50 3.74 6.08 0.00 -1.26 -5.11 105.19 112.26 2dgx n GLY 634 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 2dgx n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgx s ALA 635 N -4.00 -1.56 -0.06 4.61 0.00 -1.26 -5.09 121.76 114.40 2dgx s ALA 635 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2dgx s ALA 635 Cb 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 2dgx s ALA 635 CO 0.00 -0.99 -0.08 0.43 0.00 0.00 0.00 175.76 175.12 2dgx n SER 636 N -0.44 0.53 -2.81 0.00 7.64 -1.26 -5.03 113.62 112.24 2dgx n SER 636 Ca -0.06 0.07 -0.00 0.00 1.01 0.00 0.00 58.87 59.89 2dgx n SER 636 Cb 0.61 -0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.64 2dgx n SER 636 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dgx s GLY 637 N -5.10 -1.57 0.17 0.23 0.00 -1.26 -5.03 107.32 94.76 2dgx s GLY 637 Ca -0.09 0.79 -0.08 0.00 0.00 0.00 0.00 44.72 45.34 2dgx s GLY 637 CO 0.11 4.15 1.51 -0.56 0.00 0.00 0.00 173.10 178.31 2dgx h PRO 638 N 5.33 0.83 -5.92 2.90 0.13 -2.01 -3.42 132.00 129.84 2dgx h PRO 638 Ca -0.01 -0.44 -0.50 0.00 -0.87 0.00 0.00 66.00 64.19 2dgx h PRO 638 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2dgx h PRO 638 CO -0.05 1.07 1.43 -1.12 -0.23 0.00 0.00 178.00 179.10 2dgx s SER 639 N -6.85 5.13 -0.38 1.44 0.01 -1.26 -4.88 113.70 106.92 2dgx s SER 639 Ca -0.10 0.75 -0.43 0.00 1.31 0.00 0.00 55.95 57.48 2dgx s SER 639 Cb 0.12 -2.52 -0.17 0.00 0.21 0.00 0.00 66.02 63.65 2dgx s SER 639 CO 0.87 -2.40 1.75 -1.54 0.41 0.00 0.00 173.24 172.32 2dgx n SER 640 N 13.23 1.82 0.00 2.44 3.41 -1.26 -5.24 113.62 128.03 2dgx n SER 640 Ca 0.26 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 2dgx n SER 640 Cb 0.52 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2dgx n SER 640 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49