#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sse n GLY 566 N 0.00 0.44 3.78 7.41 0.00 -1.26 -4.66 105.19 110.90 1sse n GLY 566 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1sse n GLY 566 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sse s SER 567 N 0.00 -0.10 -0.84 1.61 0.15 -1.26 -5.07 113.70 108.20 1sse s SER 567 Ca 0.00 -0.45 -0.25 0.00 0.70 0.00 0.00 55.95 55.95 1sse s SER 567 Cb 0.00 0.44 -0.06 0.00 -1.71 0.00 0.00 66.02 64.69 1sse s SER 567 CO 0.00 -0.83 2.04 -0.44 1.20 0.00 0.00 173.24 175.21 1sse s SER 568 N -3.10 4.89 0.01 5.45 0.01 -1.26 -4.79 113.70 114.91 1sse s SER 568 Ca 0.16 -0.38 -0.26 0.00 1.31 0.00 0.00 55.95 56.78 1sse s SER 568 Cb -0.01 -2.55 -0.16 0.00 0.21 0.00 0.00 66.02 63.51 1sse s SER 568 CO 0.02 -2.94 1.22 -0.07 0.41 0.00 0.00 173.24 171.89 1sse h LEU 569 N 18.71 -0.46 -4.21 2.44 3.38 -1.98 -3.43 115.31 129.76 1sse h LEU 569 Ca 0.03 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1sse h LEU 569 Cb 1.03 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 1sse h LEU 569 CO 1.17 -0.10 -0.15 1.67 0.09 0.00 0.00 178.44 181.12 1sse n GLN 570 N -5.20 0.77 0.04 1.13 -0.06 -1.26 -5.01 117.38 107.78 1sse n GLN 570 Ca -0.10 -0.74 -0.07 0.00 -2.00 0.00 0.00 57.00 54.10 1sse n GLN 570 Cb 0.29 0.22 -0.05 0.00 -4.06 0.00 0.00 30.24 26.65 1sse n GLN 570 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 1sse h ASN 571 N 0.65 -0.17 -0.67 1.69 4.21 -1.95 -3.45 115.58 115.89 1sse h ASN 571 Ca -0.27 -0.20 0.00 0.00 1.21 0.00 0.00 56.30 57.04 1sse h ASN 571 Cb 1.18 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 1sse h ASN 571 CO -0.11 0.38 0.00 0.00 -1.29 0.00 0.00 177.43 176.41 1sse n ALA 572 N -2.69 0.00 -1.00 -0.83 0.00 -1.26 -5.02 120.51 109.70 1sse n ALA 572 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1sse n ALA 572 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1sse n ALA 572 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sse n ASP 573 N -1.60 0.00 -3.30 0.00 2.03 -1.26 -5.10 116.55 107.32 1sse n ASP 573 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1sse n ASP 573 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1sse n ASP 573 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1sse s LYS 574 N 0.00 0.44 0.44 -0.67 1.02 -1.26 -5.02 119.74 114.69 1sse s LYS 574 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.05 1sse s LYS 574 Cb 0.00 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.00 1sse s LYS 574 CO 0.00 -1.05 0.00 -0.89 -0.92 0.00 0.00 175.35 172.49 1sse n ILE 575 N 5.26 0.00 -2.97 2.17 5.41 -1.26 -2.63 119.36 125.34 1sse n ILE 575 Ca 0.02 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.61 1sse n ILE 575 Cb 0.49 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.41 1sse n ILE 575 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1sse n ASN 576 N 1.27 -1.35 -1.26 4.38 0.23 -1.26 -5.12 115.26 112.14 1sse n ASN 576 Ca 0.00 -3.01 0.15 0.00 -0.53 0.00 0.00 54.58 51.19 1sse n ASN 576 Cb 0.00 0.60 -0.06 0.00 -2.08 0.00 0.00 39.78 38.24 1sse n ASN 576 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1sse n ASN 577 N 1.49 -6.85 0.00 0.53 3.02 -1.08 -4.99 115.26 107.39 1sse n ASN 577 Ca 0.15 0.87 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 1sse n ASN 577 Cb 0.58 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 1sse n ASN 577 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sse n GLY 578 N -3.87 0.00 1.00 7.41 0.00 -1.26 -4.90 105.19 103.57 1sse n GLY 578 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1sse n GLY 578 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sse n ASN 579 N 0.00 2.32 -0.10 1.61 6.94 -1.26 -4.05 115.26 120.72 1sse n ASN 579 Ca 0.00 -1.55 -0.02 0.00 -0.02 0.00 0.00 54.58 52.99 1sse n ASN 579 Cb 0.00 -0.39 0.21 0.00 -2.36 0.00 0.00 39.78 37.25 1sse n ASN 579 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1sse h ASP 580 N 0.45 0.71 -0.28 0.53 3.58 -2.01 -2.79 116.42 116.61 1sse h ASP 580 Ca 0.00 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.29 1sse h ASP 580 Cb 0.77 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1sse h ASP 580 CO 0.00 0.72 0.07 -1.13 -2.88 0.00 0.00 179.24 176.02 1sse h ASN 581 N 0.73 0.42 -4.16 2.28 -0.73 -2.05 -3.43 115.58 108.65 1sse h ASN 581 Ca 0.16 -0.23 -0.53 0.00 1.87 0.00 0.00 56.30 57.57 1sse h ASN 581 Cb 0.30 -0.11 0.14 0.00 0.27 0.00 0.00 38.32 38.92 1sse h ASN 581 CO 0.00 0.54 0.41 -0.62 -0.37 0.00 0.00 177.43 177.39 1sse s ASP 582 N -5.82 4.54 0.03 1.15 -1.08 -1.05 -5.00 116.67 109.42 1sse s ASP 582 Ca -0.13 2.32 -0.05 0.00 -0.52 0.00 0.00 52.55 54.17 1sse s ASP 582 Cb 0.08 -2.59 0.02 0.00 -1.46 0.00 0.00 42.92 38.97 1sse s ASP 582 CO 0.74 -2.03 0.22 -0.46 0.52 0.00 0.00 175.17 174.16 1sse n ASN 583 N -2.42 -0.33 -2.67 -0.34 0.23 -1.26 -5.00 115.26 103.48 1sse n ASN 583 Ca 0.13 -1.16 -0.11 0.00 -0.53 0.00 0.00 54.58 52.91 1sse n ASN 583 Cb 0.50 0.53 -0.05 0.00 -2.08 0.00 0.00 39.78 38.68 1sse n ASN 583 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1sse n ASP 584 N -0.64 3.24 0.00 0.53 5.75 -1.26 -4.88 116.55 119.29 1sse n ASP 584 Ca -0.00 -2.10 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1sse n ASP 584 Cb 0.12 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 1sse n ASP 584 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sse n ASN 585 N 3.48 0.00 -1.64 -1.12 5.03 -1.26 -4.97 115.26 114.78 1sse n ASN 585 Ca 0.28 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.73 1sse n ASN 585 Cb 0.29 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.05 1sse n ASN 585 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1sse n ASP 586 N 0.93 -8.83 -3.79 6.41 2.03 -1.26 -5.04 116.55 107.00 1sse n ASP 586 Ca 0.00 1.46 -0.13 0.00 0.52 0.00 0.00 54.79 56.65 1sse n ASP 586 Cb 0.00 -5.08 -0.09 0.00 -0.72 0.00 0.00 41.12 35.23 1sse n ASP 586 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1sse s VAL 587 N -4.04 0.06 -0.78 5.18 1.01 -1.26 -4.96 120.40 115.61 1sse s VAL 587 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1sse s VAL 587 Cb 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1sse s VAL 587 CO 0.00 -0.28 0.72 0.52 0.00 0.00 0.00 175.10 176.06 1sse n VAL 588 N 1.40 -9.79 -0.27 2.92 0.31 -1.26 -4.97 118.33 106.67 1sse n VAL 588 Ca -0.21 -0.35 -0.30 0.00 -0.01 0.00 0.00 64.34 63.46 1sse n VAL 588 Cb 0.56 -6.72 0.29 0.00 -0.91 0.00 0.00 33.84 27.06 1sse n VAL 588 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1sse n PRO 589 N -1.97 -4.81 0.00 5.55 -0.02 -1.26 -4.75 135.00 127.74 1sse n PRO 589 Ca -0.02 -1.47 0.00 0.00 -2.02 0.00 0.00 63.50 59.98 1sse n PRO 589 Cb 0.52 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1sse n PRO 589 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sse n SER 590 N -5.78 -2.01 -3.63 2.55 3.41 -1.26 -4.92 113.62 101.98 1sse n SER 590 Ca 0.14 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.67 1sse n SER 590 Cb 0.60 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 1sse n SER 590 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1sse s LYS 591 N 0.00 0.41 -0.09 4.33 2.20 -1.26 -5.17 119.74 120.15 1sse s LYS 591 Ca 0.00 0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 55.89 1sse s LYS 591 Cb 0.00 0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.54 1sse s LYS 591 CO 0.00 -0.07 0.30 -1.21 -0.36 0.00 0.00 175.35 174.01 1sse s GLU 592 N -0.09 0.42 -0.35 4.03 2.02 -1.26 -5.12 118.70 118.36 1sse s GLU 592 Ca 0.04 0.28 -0.05 0.00 0.02 0.00 0.00 54.97 55.26 1sse s GLU 592 Cb -0.04 0.20 0.19 0.00 0.10 0.00 0.00 34.13 34.57 1sse s GLU 592 CO -0.07 -0.07 0.93 0.20 0.02 0.00 0.00 175.26 176.27 1sse s GLY 593 N -0.17 -1.47 0.75 -1.39 0.00 -1.26 -4.36 107.32 99.42 1sse s GLY 593 Ca -0.03 0.99 -0.12 0.00 0.00 0.00 0.00 44.72 45.57 1sse s GLY 593 CO 0.01 4.13 1.11 -0.56 0.00 0.00 0.00 173.10 177.79 1sse s SER 594 N 1.94 5.06 -0.28 1.64 0.01 -1.26 -4.50 113.70 116.31 1sse s SER 594 Ca 0.15 1.11 -0.18 0.00 1.31 0.00 0.00 55.95 58.34 1sse s SER 594 Cb 0.01 -1.85 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 1sse s SER 594 CO -0.13 -1.59 0.52 -0.76 0.41 0.00 0.00 173.24 171.69 1sse s LEU 595 N -5.50 4.11 0.17 2.44 1.02 -1.26 -1.64 118.68 118.03 1sse s LEU 595 Ca 0.59 0.40 0.07 0.00 0.02 0.00 0.00 54.13 55.21 1sse s LEU 595 Cb -0.12 -2.65 -0.04 0.00 0.02 0.00 0.00 46.19 43.40 1sse s LEU 595 CO 0.52 -0.34 -0.15 -0.76 0.02 0.00 0.00 176.35 175.64 1sse s LEU 596 N 2.35 2.50 0.00 1.79 1.02 -0.92 -4.85 118.68 120.56 1sse s LEU 596 Ca 0.21 -0.95 0.00 0.00 0.02 0.00 0.00 54.13 53.41 1sse s LEU 596 Cb -0.15 -0.65 0.00 0.00 0.02 0.00 0.00 46.19 45.41 1sse s LEU 596 CO 0.10 -0.16 0.00 0.54 0.02 0.00 0.00 176.35 176.86 1sse n ARG 597 N -0.05 3.28 0.00 1.70 3.00 -1.26 -2.39 116.66 120.93 1sse n ARG 597 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.73 1sse n ARG 597 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 1sse n ARG 597 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sse h SER 599 N 0.00 0.00 -0.96 0.00 0.87 -2.01 0.16 113.55 111.61 1sse h SER 599 Ca 0.00 0.00 0.30 0.00 -1.23 0.00 0.00 61.79 60.86 1sse h SER 599 Cb 0.00 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 61.81 1sse h SER 599 CO 0.00 0.00 0.40 -0.08 -0.53 0.00 0.00 176.83 176.62 1sse h GLU 600 N 0.00 0.20 -0.12 2.24 4.57 -1.96 1.97 114.58 121.48 1sse h GLU 600 Ca 0.00 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.05 1sse h GLU 600 Cb 1.31 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1sse h GLU 600 CO 0.00 0.13 -0.44 0.82 -1.18 0.00 0.00 179.01 178.34 1sse h ILE 601 N 0.21 1.32 -1.12 2.32 5.03 -1.13 -2.65 117.51 121.49 1sse h ILE 601 Ca 0.68 -1.60 0.35 0.00 -0.12 0.00 0.00 64.86 64.16 1sse h ILE 601 Cb 1.53 1.71 -0.13 0.00 -3.03 0.00 0.00 36.82 36.91 1sse h ILE 601 CO -0.68 0.48 0.70 -0.25 -0.68 0.00 0.00 178.15 177.72 1sse h TRP 602 N 0.24 0.71 -0.26 1.37 2.91 0.30 2.44 115.95 123.66 1sse h TRP 602 Ca 0.02 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.97 1sse h TRP 602 Cb 0.88 -0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.33 1sse h TRP 602 CO 0.02 -0.12 -0.20 0.22 -1.03 0.00 0.00 178.44 177.33 1sse h ASP 603 N 0.26 0.63 -0.79 2.65 3.58 -1.35 0.64 116.42 122.05 1sse h ASP 603 Ca 0.73 -0.45 0.08 0.00 0.42 0.00 0.00 57.03 57.81 1sse h ASP 603 Cb 1.95 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 42.76 1sse h ASP 603 CO -0.46 0.94 0.45 -0.09 -2.88 0.00 0.00 179.24 177.21 1sse h ARG 604 N 0.33 0.78 -0.08 0.28 9.65 0.39 0.30 114.38 126.02 1sse h ARG 604 Ca 0.05 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 1sse h ARG 604 Cb 0.74 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1sse h ARG 604 CO 0.05 0.51 -0.22 0.82 2.80 0.00 0.00 179.97 183.93 1sse h ILE 605 N 0.80 1.41 0.02 1.20 2.04 0.10 -3.30 117.51 119.78 1sse h ILE 605 Ca 0.36 -1.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 1sse h ILE 605 Cb 0.27 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1sse h ILE 605 CO -0.21 0.45 -0.01 0.74 0.00 0.00 0.00 178.15 179.12 1sse h THR 606 N -0.18 1.00 0.00 -0.27 2.02 0.83 -1.65 112.91 114.65 1sse h THR 606 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1sse h THR 606 Cb 0.84 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1sse h THR 606 CO 0.05 0.01 0.00 0.35 0.37 0.00 0.00 175.52 176.30 1sse n THR 607 N -5.09 0.00 -2.04 3.16 -2.24 1.00 -4.73 114.28 104.34 1sse n THR 607 Ca -0.07 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.36 1sse n THR 607 Cb 0.05 -0.43 0.02 0.00 -2.10 0.00 0.00 70.33 67.87 1sse n THR 607 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1sse s HIS 608 N -1.89 2.56 0.43 4.78 3.76 -0.62 -4.88 115.29 119.43 1sse s HIS 608 Ca 0.00 1.54 0.11 0.00 -0.15 0.00 0.00 55.06 56.56 1sse s HIS 608 Cb 0.00 -3.31 0.97 0.00 1.11 0.00 0.00 32.58 31.35 1sse s HIS 608 CO 0.00 -1.79 2.03 -1.00 -0.85 0.00 0.00 174.74 173.13 1sse h PRO 609 N 0.77 0.43 -1.37 8.40 0.13 -1.90 -3.43 132.00 135.03 1sse h PRO 609 Ca -0.49 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 64.75 1sse h PRO 609 Cb 1.27 -0.10 -0.29 0.00 0.13 0.00 0.00 31.00 32.01 1sse h PRO 609 CO 0.55 0.29 0.55 0.21 -0.23 0.00 0.00 178.00 179.37 1sse s LYS 610 N -5.41 0.28 0.00 0.86 2.20 -1.26 -5.16 119.74 111.24 1sse s LYS 610 Ca -0.08 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1sse s LYS 610 Cb 0.18 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 1sse s LYS 610 CO 0.73 -0.05 0.00 0.66 -0.36 0.00 0.00 175.35 176.33 1sse n TYR 611 N 3.05 -1.52 0.00 4.03 4.02 -1.26 -4.97 117.16 120.51 1sse n TYR 611 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1sse n TYR 611 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 1sse n TYR 611 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1sse n SER 612 N -2.21 0.00 -2.69 7.72 2.88 -1.26 -5.08 113.62 112.98 1sse n SER 612 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1sse n SER 612 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1sse n SER 612 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1sse n ASP 613 N -0.46 -1.90 -4.82 -3.46 2.03 -1.26 -5.17 116.55 101.51 1sse n ASP 613 Ca 0.00 -1.55 -0.21 0.00 0.52 0.00 0.00 54.79 53.55 1sse n ASP 613 Cb 0.00 0.98 0.09 0.00 -0.72 0.00 0.00 41.12 41.47 1sse n ASP 613 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1sse n ILE 614 N 2.48 0.00 -4.02 5.18 5.41 -1.26 -4.77 119.36 122.38 1sse n ILE 614 Ca 0.11 -1.82 -0.32 0.00 1.00 0.00 0.00 62.75 61.72 1sse n ILE 614 Cb 0.64 -0.65 -0.15 0.00 -0.71 0.00 0.00 39.64 38.77 1sse n ILE 614 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1sse s ASP 615 N -4.80 4.65 0.29 4.38 1.01 -1.26 -4.95 116.67 115.99 1sse s ASP 615 Ca 0.63 -1.65 0.25 0.00 0.71 0.00 0.00 52.55 52.50 1sse s ASP 615 Cb -0.04 -1.61 0.62 0.00 1.01 0.00 0.00 42.92 42.89 1sse s ASP 615 CO 0.41 -0.28 1.70 0.58 0.21 0.00 0.00 175.17 177.79 1sse h VAL 616 N 6.66 0.00 -0.07 -1.27 2.07 -1.99 -3.19 116.25 118.46 1sse h VAL 616 Ca -0.14 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1sse h VAL 616 Cb 1.04 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1sse h VAL 616 CO 0.50 0.00 -0.24 -0.78 0.02 0.00 0.00 177.57 177.07 1sse h ASP 617 N 0.00 0.32 -0.33 0.57 1.82 -2.00 -2.52 116.42 114.28 1sse h ASP 617 Ca 0.00 -0.62 -0.12 0.00 -0.39 0.00 0.00 57.03 55.89 1sse h ASP 617 Cb 0.84 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.75 1sse h ASP 617 CO 0.00 0.89 -0.27 1.23 -1.61 0.00 0.00 179.24 179.48 1sse h GLY 618 N -0.22 0.84 2.00 -0.78 0.00 -2.00 -2.45 103.07 100.46 1sse h GLY 618 Ca -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1sse h GLY 618 CO 0.05 0.75 -0.03 -2.00 0.00 0.00 0.00 176.54 175.31 1sse h LEU 619 N 0.55 0.00 -0.02 3.11 5.85 -1.62 -1.83 115.31 121.35 1sse h LEU 619 Ca 0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1sse h LEU 619 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1sse h LEU 619 CO 0.07 0.03 -0.09 0.00 -0.34 0.00 0.00 178.44 178.10 1sse n SER 621 N -4.67 0.12 -0.13 0.00 7.64 -1.02 -1.93 113.62 113.62 1sse n SER 621 Ca -0.09 -1.05 -0.27 0.00 1.01 0.00 0.00 58.87 58.47 1sse n SER 621 Cb 0.38 -0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.47 1sse n SER 621 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1sse n GLU 622 N -0.90 0.60 0.14 1.43 4.07 -0.72 -4.24 120.64 121.02 1sse n GLU 622 Ca 0.23 0.30 0.12 0.00 -0.06 0.00 0.00 57.16 57.75 1sse n GLU 622 Cb 0.13 -1.54 0.10 0.00 -0.06 0.00 0.00 31.44 30.07 1sse n GLU 622 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1sse h LEU 623 N -0.88 0.00 -0.65 4.31 3.38 -1.36 -3.12 115.31 116.99 1sse h LEU 623 Ca -0.64 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.17 1sse h LEU 623 Cb 1.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 1sse h LEU 623 CO -0.35 0.01 -0.67 -0.03 0.09 0.00 0.00 178.44 177.49 1sse h MET 624 N 0.00 0.02 -0.01 1.13 4.05 -1.58 -3.01 114.93 115.53 1sse h MET 624 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1sse h MET 624 Cb 0.96 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 1sse h MET 624 CO 0.00 0.68 -0.47 0.00 0.23 0.00 0.00 176.91 177.35 1sse n ALA 625 N -2.42 3.50 1.04 0.39 0.00 -1.25 -3.93 120.51 117.83 1sse n ALA 625 Ca -0.01 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.00 1sse n ALA 625 Cb 0.66 -0.63 0.31 0.00 0.00 0.00 0.00 19.45 19.78 1sse n ALA 625 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sse n LYS 626 N -0.37 0.11 -1.44 0.00 5.02 -1.18 -4.93 118.16 115.37 1sse n LYS 626 Ca 0.07 -0.06 -0.47 0.00 -2.02 0.00 0.00 58.31 55.83 1sse n LYS 626 Cb 0.35 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 1sse n LYS 626 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sse n ALA 627 N -1.39 -2.18 -3.95 7.82 0.00 -1.14 -4.88 120.51 114.79 1sse n ALA 627 Ca 0.07 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.60 1sse n ALA 627 Cb 0.34 -1.71 -0.14 0.00 0.00 0.00 0.00 19.45 17.93 1sse n ALA 627 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1sse s LYS 628 N -1.16 1.81 -0.23 0.00 1.02 -1.14 -4.97 119.74 115.07 1sse s LYS 628 Ca 0.62 -2.40 -0.37 0.00 0.02 0.00 0.00 55.97 53.85 1sse s LYS 628 Cb -0.84 -3.21 -0.13 0.00 -0.52 0.00 0.00 37.83 33.12 1sse s LYS 628 CO 0.57 -1.07 1.91 0.00 -0.92 0.00 0.00 175.35 175.84 1sse s SER 630 N 4.76 0.30 0.57 0.00 0.15 -1.19 -5.00 113.70 113.30 1sse s SER 630 Ca 0.99 -0.77 0.32 0.00 0.70 0.00 0.00 55.95 57.20 1sse s SER 630 Cb -0.88 0.24 1.76 0.00 -1.71 0.00 0.00 66.02 65.43 1sse s SER 630 CO 0.57 -0.60 2.18 1.05 1.20 0.00 0.00 173.24 177.64 1sse h GLU 631 N 3.24 0.00 -1.47 5.44 9.09 -2.01 -1.43 114.58 127.43 1sse h GLU 631 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.07 1sse h GLU 631 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1sse h GLU 631 CO 0.58 0.05 0.00 -2.13 0.05 0.00 0.00 179.01 177.56 1sse n ARG 632 N -3.54 0.93 -0.09 1.06 0.63 -1.26 -4.93 116.66 109.45 1sse n ARG 632 Ca -0.02 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1sse n ARG 632 Cb 0.16 -1.04 -0.00 0.00 0.45 0.00 0.00 32.46 32.03 1sse n ARG 632 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sse n GLY 633 N 0.96 -1.81 3.76 5.14 0.00 -0.54 -4.74 105.19 107.97 1sse n GLY 633 Ca 0.00 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 1sse n GLY 633 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sse s VAL 634 N -0.27 3.74 -0.02 1.61 0.11 -1.26 -3.15 120.40 121.15 1sse s VAL 634 Ca 0.00 1.73 0.02 0.00 -2.93 0.00 0.00 61.98 60.80 1sse s VAL 634 Cb 0.00 -4.09 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 1sse s VAL 634 CO 0.00 0.39 -0.08 0.68 -3.33 0.00 0.00 175.10 172.77 1sse s VAL 635 N -1.20 0.69 0.11 2.04 -7.23 -1.18 -4.28 120.40 109.34 1sse s VAL 635 Ca 0.44 -0.31 0.03 0.00 -1.81 0.00 0.00 61.98 60.33 1sse s VAL 635 Cb -0.29 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 1sse s VAL 635 CO 0.37 0.22 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.65 1sse s ILE 636 N 0.22 0.94 -0.14 -0.62 1.01 -1.01 -2.86 121.20 118.74 1sse s ILE 636 Ca -0.03 -1.76 -0.23 0.00 0.00 0.00 0.00 60.65 58.63 1sse s ILE 636 Cb -0.08 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1sse s ILE 636 CO 0.00 -0.64 0.70 0.20 0.00 0.00 0.00 174.94 175.20 1sse s ASN 637 N -2.66 6.86 0.03 3.58 -0.87 -1.26 -2.17 114.94 118.45 1sse s ASN 637 Ca 0.08 1.04 0.01 0.00 -1.57 0.00 0.00 52.86 52.43 1sse s ASN 637 Cb -0.01 -2.39 0.05 0.00 -0.02 0.00 0.00 41.25 38.88 1sse s ASN 637 CO -0.01 -0.24 0.75 0.00 -2.57 0.00 0.00 177.10 175.03 1sse n ALA 638 N 4.59 0.42 0.38 0.60 0.00 -0.65 0.80 120.51 126.65 1sse n ALA 638 Ca -0.00 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1sse n ALA 638 Cb 0.50 -0.43 0.44 0.00 0.00 0.00 0.00 19.45 19.97 1sse n ALA 638 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1sse h GLU 639 N 0.00 0.00 0.13 0.00 4.81 -1.87 -0.57 114.58 117.09 1sse h GLU 639 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1sse h GLU 639 Cb 0.61 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1sse h GLU 639 CO 0.00 0.00 -1.75 -0.44 -0.73 0.00 0.00 179.01 176.09 1sse h ASP 640 N 0.00 0.44 0.09 1.04 3.32 0.01 -2.94 116.42 118.37 1sse h ASP 640 Ca 0.00 -0.90 -0.14 0.00 0.02 0.00 0.00 57.03 56.01 1sse h ASP 640 Cb 0.65 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1sse h ASP 640 CO 0.00 1.76 -0.48 -0.37 -1.72 0.00 0.00 179.24 178.43 1sse h VAL 641 N -0.08 1.32 -0.30 -1.35 -1.51 -1.65 0.24 116.25 112.92 1sse h VAL 641 Ca -0.37 -1.70 -0.16 0.00 -1.23 0.00 0.00 66.70 63.23 1sse h VAL 641 Cb 1.94 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 32.81 1sse h VAL 641 CO 0.09 0.52 -0.46 1.56 -1.23 0.00 0.00 177.57 178.06 1sse h GLN 642 N 0.37 0.79 0.00 5.19 4.20 -1.23 0.65 115.11 125.08 1sse h GLN 642 Ca 0.02 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1sse h GLN 642 Cb 0.99 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1sse h GLN 642 CO 0.09 1.08 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.91 1sse h LEU 643 N 0.63 0.00 0.00 1.46 3.38 -1.42 -2.73 115.31 116.64 1sse h LEU 643 Ca 0.04 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1sse h LEU 643 Cb 1.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1sse h LEU 643 CO 0.10 0.01 -0.70 0.00 0.09 0.00 0.00 178.44 177.93 1sse h ALA 644 N 2.08 0.13 -0.03 1.53 0.00 -0.32 -3.27 119.26 119.39 1sse h ALA 644 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1sse h ALA 644 Cb 0.96 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1sse h ALA 644 CO 0.00 0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.97 1sse n LEU 645 N -4.55 0.00 0.00 0.00 4.77 0.23 -1.21 117.00 116.24 1sse n LEU 645 Ca -0.19 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 1sse n LEU 645 Cb 0.48 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1sse n LEU 645 CO 0.18 -0.50 0.49 -0.46 -1.33 0.00 0.00 177.39 175.78 1sse n ASN 646 N -2.17 0.00 -5.01 -1.43 6.94 -1.03 -4.42 115.26 108.14 1sse n ASN 646 Ca 0.00 0.19 -0.19 0.00 -0.02 0.00 0.00 54.58 54.56 1sse n ASN 646 Cb 0.00 -0.19 0.03 0.00 -2.36 0.00 0.00 39.78 37.26 1sse n ASN 646 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1sse s LYS 647 N -2.36 2.55 0.00 -3.83 2.20 -0.35 -4.28 119.74 113.67 1sse s LYS 647 Ca 0.00 -1.48 0.00 0.00 -0.36 0.00 0.00 55.97 54.13 1sse s LYS 647 Cb 0.00 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.67 1sse s LYS 647 CO 0.00 -0.55 0.00 0.72 -0.36 0.00 0.00 175.35 175.16 1sse n HIS 648 N -2.00 0.00 -3.57 4.03 8.25 -1.26 -4.90 115.22 115.77 1sse n HIS 648 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.21 1sse n HIS 648 Cb 0.61 -1.66 -0.06 0.00 1.12 0.00 0.00 29.99 30.00 1sse n HIS 648 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1sse s MET 649 N -1.54 3.77 0.00 -0.41 1.75 -1.26 -4.83 119.30 116.79 1sse s MET 649 Ca 0.00 0.20 0.00 0.00 -1.25 0.00 0.00 55.69 54.64 1sse s MET 649 Cb 0.00 -3.04 0.00 0.00 2.84 0.00 0.00 34.83 34.63 1sse s MET 649 CO 0.00 0.59 0.00 0.09 -0.65 0.00 0.00 175.02 175.05