#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2m h ASN 574 N 0.00 0.00 0.00 1.61 -0.73 -2.03 -3.45 115.58 110.98 1k2m h ASN 574 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1k2m h ASN 574 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1k2m h ASN 574 CO 0.00 0.11 0.00 0.61 -0.37 0.00 0.00 177.43 177.78 1k2m n GLY 575 N 0.00 0.54 3.71 1.57 0.00 -1.26 -5.12 105.19 104.63 1k2m n GLY 575 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1k2m n GLY 575 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k2m s ARG 576 N 0.00 4.15 -0.02 1.61 3.52 -1.26 -1.36 118.95 125.58 1k2m s ARG 576 Ca 0.00 -0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.30 1k2m s ARG 576 Cb 0.00 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1k2m s ARG 576 CO 0.00 0.25 -0.13 0.34 -0.81 0.00 0.00 175.30 174.95 1k2m n PHE 577 N 3.69 0.00 -4.48 5.12 7.35 -0.87 -3.04 117.46 125.23 1k2m n PHE 577 Ca -0.16 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.19 1k2m n PHE 577 Cb 0.52 -0.22 -0.11 0.00 0.35 0.00 0.00 39.48 40.02 1k2m n PHE 577 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1k2m s LEU 578 N -7.13 3.34 -0.24 -2.13 0.20 -0.89 0.35 118.68 112.17 1k2m s LEU 578 Ca -0.11 0.01 -0.00 0.00 0.69 0.00 0.00 54.13 54.72 1k2m s LEU 578 Cb 0.02 -1.76 0.03 0.00 -0.43 0.00 0.00 46.19 44.06 1k2m s LEU 578 CO 0.16 0.32 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.56 1k2m s THR 579 N -0.55 2.60 -0.41 3.68 2.01 0.29 0.16 115.64 123.42 1k2m s THR 579 Ca 0.09 -1.16 -0.12 0.00 0.31 0.00 0.00 61.69 60.81 1k2m s THR 579 Cb -0.12 -2.34 0.05 0.00 0.01 0.00 0.00 72.50 70.10 1k2m s THR 579 CO 0.02 0.19 0.26 -0.76 -0.69 0.00 0.00 174.62 173.64 1k2m s LEU 580 N 1.27 5.04 -0.37 4.42 1.43 0.29 0.21 118.68 130.96 1k2m s LEU 580 Ca -0.01 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 1k2m s LEU 580 Cb -0.17 -2.06 0.10 0.00 0.03 0.00 0.00 46.19 44.09 1k2m s LEU 580 CO -0.06 -0.48 0.13 -1.59 0.23 0.00 0.00 176.35 174.58 1k2m s LYS 581 N 1.56 1.79 -0.66 1.70 -2.85 -0.37 0.26 119.74 121.16 1k2m s LYS 581 Ca 0.03 -1.82 -0.32 0.00 -1.00 0.00 0.00 55.97 52.85 1k2m s LYS 581 Cb -0.21 -3.40 -0.16 0.00 -2.06 0.00 0.00 37.83 32.01 1k2m s LYS 581 CO 0.06 -0.99 2.44 -2.30 0.10 0.00 0.00 175.35 174.66 1k2m n PRO 582 N 4.44 0.50 -1.66 1.78 -0.02 0.12 -2.68 135.00 137.48 1k2m n PRO 582 Ca 0.00 0.07 -0.32 0.00 -2.02 0.00 0.00 63.50 61.23 1k2m n PRO 582 Cb 0.42 -2.18 0.05 0.00 -0.02 0.00 0.00 33.50 31.76 1k2m n PRO 582 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k2m s LEU 583 N 8.99 3.23 0.59 2.45 2.34 -1.08 -1.59 118.68 133.60 1k2m s LEU 583 Ca 1.19 1.72 0.29 0.00 0.06 0.00 0.00 54.13 57.39 1k2m s LEU 583 Cb -0.94 -4.51 1.39 0.00 -0.56 0.00 0.00 46.19 41.57 1k2m s LEU 583 CO 0.46 -1.46 1.78 1.55 -1.06 0.00 0.00 176.35 177.62 1k2m h PRO 584 N -0.43 0.00 0.00 1.48 0.13 -1.90 0.67 132.00 131.95 1k2m h PRO 584 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1k2m h PRO 584 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1k2m h PRO 584 CO 0.56 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.89 1k2m h ASP 585 N 0.00 0.00 -2.88 1.44 3.32 -1.91 -3.42 116.42 112.97 1k2m h ASP 585 Ca 0.30 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.81 1k2m h ASP 585 Cb 1.62 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.14 1k2m h ASP 585 CO -0.00 0.00 -0.34 -0.55 -1.72 0.00 0.00 179.24 176.63 1k2m s SER 586 N -5.30 6.40 0.66 6.45 0.15 0.23 -4.80 113.70 117.49 1k2m s SER 586 Ca -0.03 0.42 0.34 0.00 0.70 0.00 0.00 55.95 57.38 1k2m s SER 586 Cb 0.11 -2.02 1.87 0.00 -1.71 0.00 0.00 66.02 64.28 1k2m s SER 586 CO 0.45 -0.03 2.07 0.16 1.20 0.00 0.00 173.24 177.09 1k2m h ILE 587 N 1.62 0.04 -3.49 6.45 3.07 -1.58 -3.36 117.51 120.26 1k2m h ILE 587 Ca -0.48 0.00 -0.66 0.00 1.55 0.00 0.00 64.86 65.27 1k2m h ILE 587 Cb 1.19 0.77 -0.27 0.00 -0.27 0.00 0.00 36.82 38.24 1k2m h ILE 587 CO 0.69 0.00 -0.69 -0.63 -1.05 0.00 0.00 178.15 176.47 1k2m s ILE 588 N -4.16 3.60 -0.83 0.16 1.01 -1.26 -5.02 121.20 114.69 1k2m s ILE 588 Ca -0.04 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1k2m s ILE 588 Cb 0.11 -2.70 0.32 0.00 0.01 0.00 0.00 42.46 40.20 1k2m s ILE 588 CO 0.34 0.34 1.38 0.00 0.00 0.00 0.00 174.94 177.00 1k2m n GLN 589 N 4.82 4.31 -4.55 2.79 1.13 -1.25 -3.90 117.38 120.73 1k2m n GLN 589 Ca -0.17 -4.74 -0.25 0.00 -1.94 0.00 0.00 57.00 49.90 1k2m n GLN 589 Cb 0.50 -2.37 -0.10 0.00 0.11 0.00 0.00 30.24 28.38 1k2m n GLN 589 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1k2m s GLU 590 N -3.74 1.84 -0.07 -1.09 2.02 -0.62 -4.91 118.70 112.13 1k2m s GLU 590 Ca 0.42 -2.06 0.04 0.00 0.02 0.00 0.00 54.97 53.39 1k2m s GLU 590 Cb 0.21 -1.15 0.00 0.00 0.10 0.00 0.00 34.13 33.29 1k2m s GLU 590 CO -0.10 -0.20 -0.19 -1.12 0.02 0.00 0.00 175.26 173.67 1k2m s SER 591 N -3.61 2.43 0.02 -0.19 0.01 -1.26 0.14 113.70 111.24 1k2m s SER 591 Ca 0.31 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.20 1k2m s SER 591 Cb 0.08 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.37 1k2m s SER 591 CO 0.15 0.14 -0.11 -0.76 0.41 0.00 0.00 173.24 173.07 1k2m s LEU 592 N 0.24 2.96 -0.18 2.44 1.43 0.73 -4.92 118.68 121.39 1k2m s LEU 592 Ca -0.10 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1k2m s LEU 592 Cb -0.15 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.39 1k2m s LEU 592 CO 0.05 0.27 -0.12 -1.61 0.23 0.00 0.00 176.35 175.16 1k2m s GLU 593 N -1.46 2.15 -0.48 1.70 2.02 -1.26 0.11 118.70 121.48 1k2m s GLU 593 Ca 0.16 -0.74 -0.24 0.00 0.02 0.00 0.00 54.97 54.18 1k2m s GLU 593 Cb -0.11 -2.30 0.03 0.00 0.10 0.00 0.00 34.13 31.85 1k2m s GLU 593 CO 0.07 -0.35 0.84 0.42 0.02 0.00 0.00 175.26 176.26 1k2m s ILE 594 N 1.43 4.56 0.05 -1.63 1.01 0.43 -4.96 121.20 122.08 1k2m s ILE 594 Ca 0.01 0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.77 1k2m s ILE 594 Cb -0.15 -4.39 -0.07 0.00 0.01 0.00 0.00 42.46 37.85 1k2m s ILE 594 CO -0.09 -0.84 1.56 -1.10 0.00 0.00 0.00 174.94 174.47 1k2m s GLN 595 N 3.51 4.23 0.55 2.79 1.11 -1.26 -2.05 119.66 128.54 1k2m s GLN 595 Ca 0.31 2.20 0.40 0.00 0.01 0.00 0.00 55.36 58.27 1k2m s GLN 595 Cb -0.12 -3.58 1.59 0.00 -1.01 0.00 0.00 33.01 29.89 1k2m s GLN 595 CO 0.22 -0.67 1.76 -0.56 0.01 0.00 0.00 175.29 176.05 1k2m h GLN 596 N 8.11 0.00 0.00 2.91 3.07 -1.50 0.87 115.11 128.57 1k2m h GLN 596 Ca -0.41 -0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.31 1k2m h GLN 596 Cb 1.19 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 1k2m h GLN 596 CO 0.92 0.00 -0.09 0.78 0.09 0.00 0.00 178.83 180.53 1k2m h GLY 597 N 0.00 0.00 -7.69 0.06 0.00 -1.89 -3.42 103.07 90.13 1k2m h GLY 597 Ca 0.64 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 47.32 1k2m h GLY 597 CO -0.01 0.00 -0.43 0.14 0.00 0.00 0.00 176.54 176.24 1k2m s VAL 598 N -3.56 5.26 -0.04 4.60 1.01 0.30 -5.05 120.40 122.92 1k2m s VAL 598 Ca 0.02 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1k2m s VAL 598 Cb 0.09 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1k2m s VAL 598 CO 0.60 0.10 0.07 0.21 0.00 0.00 0.00 175.10 176.08 1k2m s ASN 599 N 1.73 0.95 0.42 3.32 2.47 -1.26 -4.02 114.94 118.54 1k2m s ASN 599 Ca 0.09 0.11 -0.03 0.00 0.42 0.00 0.00 52.86 53.45 1k2m s ASN 599 Cb -0.16 -0.07 -0.04 0.00 -1.45 0.00 0.00 41.25 39.53 1k2m s ASN 599 CO 0.11 -0.23 0.68 -2.16 -3.72 0.00 0.00 177.10 171.77 1k2m s PRO 600 N 2.05 3.53 -0.31 0.43 0.04 -1.26 -5.02 135.00 134.46 1k2m s PRO 600 Ca 0.03 -0.03 -0.19 0.00 0.04 0.00 0.00 61.00 60.86 1k2m s PRO 600 Cb -0.12 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1k2m s PRO 600 CO -0.03 -0.04 0.55 0.12 0.04 0.00 0.00 177.00 177.64 1k2m s PHE 601 N -2.53 3.22 -0.01 0.56 5.36 0.19 -4.90 117.98 119.86 1k2m s PHE 601 Ca 0.44 0.46 -0.16 0.00 -0.96 0.00 0.00 56.93 56.71 1k2m s PHE 601 Cb -0.10 -2.88 -0.06 0.00 -0.34 0.00 0.00 43.02 39.64 1k2m s PHE 601 CO 0.40 -0.43 0.45 -0.06 -1.46 0.00 0.00 175.22 174.12 1k2m s PHE 602 N 2.44 3.70 0.05 10.12 0.40 -1.26 0.41 117.98 133.84 1k2m s PHE 602 Ca 0.22 1.03 0.06 0.00 -0.60 0.00 0.00 56.93 57.63 1k2m s PHE 602 Cb -0.15 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 1k2m s PHE 602 CO 0.12 0.53 -0.16 0.42 0.70 0.00 0.00 175.22 176.83 1k2m s ILE 603 N -0.73 1.30 -3.80 0.64 1.09 0.73 0.18 121.20 120.61 1k2m s ILE 603 Ca 0.25 -1.17 0.00 0.00 -1.10 0.00 0.00 60.65 58.64 1k2m s ILE 603 Cb -0.17 -1.18 0.00 0.00 -1.06 0.00 0.00 42.46 40.05 1k2m s ILE 603 CO 0.14 -0.01 0.00 0.61 -0.10 0.00 0.00 174.94 175.58 1k2m n GLY 604 N 1.67 -1.00 0.09 6.18 0.00 -1.14 -2.28 105.19 108.71 1k2m n GLY 604 Ca -0.19 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 44.90 1k2m n GLY 604 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k2m n ARG 605 N 0.00 0.47 -3.82 1.61 0.63 -0.84 0.31 116.66 115.02 1k2m n ARG 605 Ca 0.00 -0.19 -0.35 0.00 -0.92 0.00 0.00 57.85 56.39 1k2m n ARG 605 Cb 0.00 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.33 1k2m n ARG 605 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1k2m s SER 606 N -2.66 6.07 0.60 6.15 0.01 -0.94 -4.78 113.70 118.14 1k2m s SER 606 Ca 0.22 0.21 0.30 0.00 1.31 0.00 0.00 55.95 57.99 1k2m s SER 606 Cb 0.19 -2.05 1.65 0.00 0.21 0.00 0.00 66.02 66.02 1k2m s SER 606 CO 0.54 0.20 2.04 -0.08 0.41 0.00 0.00 173.24 176.34 1k2m h GLU 607 N 6.54 0.00 -0.31 12.44 4.22 -1.89 0.59 114.58 136.17 1k2m h GLU 607 Ca -0.41 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.12 1k2m h GLU 607 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1k2m h GLU 607 CO 0.73 0.00 0.24 0.22 -2.18 0.00 0.00 179.01 178.02 1k2m h ASP 608 N 0.00 0.00 -3.37 1.04 3.58 -1.93 -3.41 116.42 112.33 1k2m h ASP 608 Ca 0.10 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.03 1k2m h ASP 608 Cb 0.66 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.72 1k2m h ASP 608 CO -0.00 0.00 0.55 0.00 -2.88 0.00 0.00 179.24 176.91 1k2m h ASN 610 N 5.86 0.00 -4.01 0.00 2.35 -0.74 -3.38 115.58 115.67 1k2m h ASN 610 Ca -0.43 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 54.63 1k2m h ASN 610 Cb 1.21 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.36 1k2m h ASN 610 CO 0.77 0.00 -0.78 0.00 -1.65 0.00 0.00 177.43 175.77 1k2m s LYS 612 N -0.92 2.83 -0.19 0.00 1.02 -1.26 -2.89 119.74 118.34 1k2m s LYS 612 Ca 0.12 -0.99 -0.04 0.00 0.02 0.00 0.00 55.97 55.08 1k2m s LYS 612 Cb -0.11 -3.08 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 1k2m s LYS 612 CO 0.02 -0.44 0.07 0.42 -0.92 0.00 0.00 175.35 174.51 1k2m s ILE 613 N 1.35 0.15 -0.56 2.17 -1.09 0.15 -4.94 121.20 118.42 1k2m s ILE 613 Ca -0.00 -0.35 -0.20 0.00 -2.23 0.00 0.00 60.65 57.86 1k2m s ILE 613 Cb -0.17 -0.78 0.07 0.00 -1.58 0.00 0.00 42.46 40.00 1k2m s ILE 613 CO -0.03 -0.28 0.76 -1.83 -1.23 0.00 0.00 174.94 172.33 1k2m s GLU 614 N 2.03 3.13 -0.19 2.79 -1.05 -1.26 -2.30 118.70 121.84 1k2m s GLU 614 Ca 0.01 -0.90 -0.02 0.00 -0.15 0.00 0.00 54.97 53.91 1k2m s GLU 614 Cb -0.16 -4.16 0.06 0.00 -0.44 0.00 0.00 34.13 29.42 1k2m s GLU 614 CO -0.10 -1.46 0.01 -0.51 0.95 0.00 0.00 175.26 174.15 1k2m s ASP 615 N 3.15 2.97 0.61 0.83 1.11 -1.26 -5.00 116.67 119.08 1k2m s ASP 615 Ca 0.18 -0.82 0.26 0.00 0.18 0.00 0.00 52.55 52.35 1k2m s ASP 615 Cb -0.19 -0.70 1.14 0.00 1.07 0.00 0.00 42.92 44.24 1k2m s ASP 615 CO 0.11 -0.28 1.57 0.78 1.18 0.00 0.00 175.17 178.53 1k2m h ASN 616 N 8.20 0.00 0.08 0.27 -0.26 -2.01 0.17 115.58 122.03 1k2m h ASN 616 Ca -0.17 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.31 1k2m h ASN 616 Cb 1.11 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.40 1k2m h ASN 616 CO 0.35 0.00 -1.04 0.03 -1.06 0.00 0.00 177.43 175.71 1k2m h ARG 617 N 0.00 0.56 -7.04 0.81 2.47 -2.00 -3.46 114.38 105.72 1k2m h ARG 617 Ca 0.31 -0.71 -0.50 0.00 -1.26 0.00 0.00 59.98 57.82 1k2m h ARG 617 Cb 2.00 0.23 0.03 0.00 -1.65 0.00 0.00 29.97 30.59 1k2m h ARG 617 CO -0.00 1.31 0.21 -0.48 0.56 0.00 0.00 179.97 181.56 1k2m s LEU 618 N -8.01 3.56 0.70 3.04 2.34 0.59 -4.74 118.68 116.15 1k2m s LEU 618 Ca -0.11 1.13 0.01 0.00 0.06 0.00 0.00 54.13 55.23 1k2m s LEU 618 Cb 0.05 -4.10 0.12 0.00 -0.56 0.00 0.00 46.19 41.70 1k2m s LEU 618 CO 0.90 -0.62 0.96 -0.55 -1.06 0.00 0.00 176.35 175.98 1k2m s SER 619 N -3.89 4.46 0.18 1.48 0.15 -1.26 -4.73 113.70 110.09 1k2m s SER 619 Ca 0.51 -0.48 -0.21 0.00 0.70 0.00 0.00 55.95 56.46 1k2m s SER 619 Cb -0.10 0.09 0.10 0.00 -1.71 0.00 0.00 66.02 64.39 1k2m s SER 619 CO 0.44 -1.78 1.59 0.03 1.20 0.00 0.00 173.24 174.72 1k2m h ARG 620 N -0.40 -0.19 -2.31 5.44 -0.00 -1.94 -2.09 114.38 112.89 1k2m h ARG 620 Ca -0.35 0.01 -0.66 0.00 -0.50 0.00 0.00 59.98 58.49 1k2m h ARG 620 Cb 1.27 0.04 -0.37 0.00 0.00 0.00 0.00 29.97 30.91 1k2m h ARG 620 CO 0.40 -0.13 -0.14 0.28 0.00 0.00 0.00 179.97 180.39 1k2m n VAL 621 N -5.42 3.83 -0.16 2.04 0.31 -1.26 -2.12 118.33 115.55 1k2m n VAL 621 Ca 0.03 -5.64 -0.03 0.00 -0.01 0.00 0.00 64.34 58.68 1k2m n VAL 621 Cb 0.34 -1.62 0.03 0.00 -0.91 0.00 0.00 33.84 31.69 1k2m n VAL 621 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1k2m h HIS 622 N 3.67 -0.44 -2.53 3.52 2.76 -1.22 -3.39 115.15 117.53 1k2m h HIS 622 Ca 0.24 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.48 1k2m h HIS 622 Cb 0.50 0.27 -0.15 0.00 1.55 0.00 0.00 27.41 29.58 1k2m h HIS 622 CO 0.95 -0.27 0.31 0.00 -1.30 0.00 0.00 177.93 177.61 1k2m s PHE 624 N -2.94 0.11 -0.22 0.00 -0.12 0.17 -0.19 117.98 114.80 1k2m s PHE 624 Ca -0.00 -0.27 -0.09 0.00 -0.05 0.00 0.00 56.93 56.52 1k2m s PHE 624 Cb -0.01 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 1k2m s PHE 624 CO -0.07 -0.27 0.11 0.42 -0.05 0.00 0.00 175.22 175.36 1k2m s ILE 625 N -1.54 5.03 -0.07 -4.49 1.09 0.16 0.23 121.20 121.61 1k2m s ILE 625 Ca -0.14 0.06 0.05 0.00 -1.10 0.00 0.00 60.65 59.53 1k2m s ILE 625 Cb -0.07 -3.32 -0.01 0.00 -1.06 0.00 0.00 42.46 38.00 1k2m s ILE 625 CO 0.00 0.39 -0.24 0.12 -0.10 0.00 0.00 174.94 175.11 1k2m s PHE 626 N 0.82 2.42 -0.11 3.97 5.36 0.44 0.54 117.98 131.41 1k2m s PHE 626 Ca 0.06 -0.79 -0.10 0.00 -0.96 0.00 0.00 56.93 55.14 1k2m s PHE 626 Cb -0.13 -1.60 -0.05 0.00 -0.34 0.00 0.00 43.02 40.91 1k2m s PHE 626 CO 0.02 -0.26 0.22 0.21 -1.46 0.00 0.00 175.22 173.94 1k2m s LYS 627 N -0.03 3.76 0.10 10.12 2.20 -1.26 0.17 119.74 134.80 1k2m s LYS 627 Ca -0.07 0.00 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 1k2m s LYS 627 Cb -0.15 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1k2m s LYS 627 CO 0.05 0.62 -0.07 0.21 -0.36 0.00 0.00 175.35 175.80 1k2m s LYS 628 N -0.63 0.82 -0.38 4.03 2.20 0.24 -4.93 119.74 121.10 1k2m s LYS 628 Ca 0.16 -1.30 -0.29 0.00 -0.36 0.00 0.00 55.97 54.18 1k2m s LYS 628 Cb -0.13 -0.24 0.01 0.00 -1.51 0.00 0.00 37.83 35.96 1k2m s LYS 628 CO 0.05 -0.01 1.32 0.50 -0.36 0.00 0.00 175.35 176.86 1k2m s ARG 629 N -3.65 3.73 -0.18 4.03 6.06 -1.26 0.17 118.95 127.85 1k2m s ARG 629 Ca 0.10 0.99 -0.26 0.00 -2.50 0.00 0.00 55.73 54.06 1k2m s ARG 629 Cb 0.04 -3.95 -0.01 0.00 0.06 0.00 0.00 34.95 31.09 1k2m s ARG 629 CO -0.04 -1.37 0.89 -1.58 -2.50 0.00 0.00 175.30 170.70 1k2m s HIS 630 N 4.87 3.41 -0.30 5.12 5.65 0.60 -4.87 115.29 129.77 1k2m s HIS 630 Ca 0.57 1.32 -0.01 0.00 0.25 0.00 0.00 55.06 57.19 1k2m s HIS 630 Cb -0.14 -3.08 0.19 0.00 -1.18 0.00 0.00 32.58 28.37 1k2m s HIS 630 CO 0.29 -0.29 0.59 0.00 -0.65 0.00 0.00 174.74 174.67 1k2m s ALA 631 N 2.37 -2.20 0.52 1.58 0.00 -1.26 -0.92 121.76 121.85 1k2m s ALA 631 Ca 0.40 1.79 -0.18 0.00 0.00 0.00 0.00 51.96 53.97 1k2m s ALA 631 Cb -0.16 -2.15 -0.07 0.00 0.00 0.00 0.00 23.12 20.74 1k2m s ALA 631 CO 0.12 -1.33 1.02 0.14 0.00 0.00 0.00 175.76 175.71 1k2m s VAL 632 N 2.84 4.05 -0.62 0.00 -7.23 -1.26 -4.91 120.40 113.28 1k2m s VAL 632 Ca 0.20 1.11 -0.26 0.00 -1.81 0.00 0.00 61.98 61.22 1k2m s VAL 632 Cb -0.15 -3.51 -0.10 0.00 0.56 0.00 0.00 36.38 33.18 1k2m s VAL 632 CO -0.21 -0.44 2.41 -0.83 -0.31 0.00 0.00 175.10 175.72 1k2m s GLY 633 N -2.52 -0.61 0.37 2.32 0.00 -1.26 -4.70 107.32 100.92 1k2m s GLY 633 Ca 0.63 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1k2m s GLY 633 CO 0.27 4.19 0.00 0.28 0.00 0.00 0.00 173.10 177.84 1k2m n LYS 634 N 8.93 -2.97 -3.35 2.90 5.02 -1.26 -4.89 118.16 122.54 1k2m n LYS 634 Ca 0.41 2.02 -0.12 0.00 -2.02 0.00 0.00 58.31 58.60 1k2m n LYS 634 Cb 0.50 -3.60 -0.08 0.00 -0.02 0.00 0.00 35.03 31.83 1k2m n LYS 634 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1k2m s SER 635 N -7.18 0.79 -0.15 4.39 1.04 -1.26 -5.03 113.70 106.30 1k2m s SER 635 Ca 0.00 -0.35 -0.17 0.00 0.48 0.00 0.00 55.95 55.91 1k2m s SER 635 Cb 0.00 0.89 -0.04 0.00 0.10 0.00 0.00 66.02 66.97 1k2m s SER 635 CO 0.00 -0.35 0.45 -0.04 0.98 0.00 0.00 173.24 174.28 1k2m s MET 636 N 2.48 4.27 0.00 4.02 1.00 -1.26 -4.62 119.30 125.19 1k2m s MET 636 Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 55.69 56.15 1k2m s MET 636 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 34.83 31.22 1k2m s MET 636 CO -0.27 0.07 0.00 0.98 0.00 0.00 0.00 175.02 175.80 1k2m n TYR 637 N 4.03 0.00 -3.10 -0.03 4.19 -1.26 -4.79 117.16 116.20 1k2m n TYR 637 Ca -0.07 0.00 -0.39 0.00 3.31 0.00 0.00 57.90 60.75 1k2m n TYR 637 Cb 0.51 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.28 1k2m n TYR 637 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1k2m s GLU 638 N 0.00 4.42 -0.61 2.98 2.02 -1.26 -5.04 118.70 121.20 1k2m s GLU 638 Ca 0.00 0.97 0.01 0.00 0.02 0.00 0.00 54.97 55.97 1k2m s GLU 638 Cb 0.00 -3.28 0.15 0.00 0.10 0.00 0.00 34.13 31.10 1k2m s GLU 638 CO 0.00 0.52 0.40 -1.12 0.02 0.00 0.00 175.26 175.08 1k2m s SER 639 N -0.85 4.84 0.00 -0.19 0.01 -1.26 -4.68 113.70 111.57 1k2m s SER 639 Ca 0.34 -3.12 0.00 0.00 1.31 0.00 0.00 55.95 54.47 1k2m s SER 639 Cb -0.21 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1k2m s SER 639 CO 0.22 -0.26 0.00 -2.65 0.41 0.00 0.00 173.24 170.97 1k2m n PRO 640 N 3.04 1.86 0.14 12.44 -0.02 -1.26 -4.72 135.00 146.48 1k2m n PRO 640 Ca 0.09 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.68 1k2m n PRO 640 Cb 0.35 0.00 0.52 0.00 -0.02 0.00 0.00 33.50 34.35 1k2m n PRO 640 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k2m n ALA 641 N -3.00 1.22 0.00 3.55 0.00 -1.26 -4.88 120.51 116.14 1k2m n ALA 641 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1k2m n ALA 641 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1k2m n ALA 641 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1k2m n GLN 642 N -2.18 0.00 -2.70 0.00 7.27 -1.26 -4.23 117.38 114.28 1k2m n GLN 642 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.01 1k2m n GLN 642 Cb 0.09 0.00 0.06 0.00 2.41 0.00 0.00 30.24 32.79 1k2m n GLN 642 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k2m n GLY 643 N 0.00 -1.15 0.00 1.69 0.00 -1.25 -4.32 105.19 100.16 1k2m n GLY 643 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1k2m n GLY 643 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2m n LEU 644 N 1.86 0.00 -4.47 0.99 4.77 -0.09 -4.82 117.00 115.24 1k2m n LEU 644 Ca 0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 1k2m n LEU 644 Cb 0.66 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.63 1k2m n LEU 644 CO -0.07 0.00 -0.49 -1.81 -1.33 0.00 0.00 177.39 173.68 1k2m s ASP 645 N -0.31 3.82 0.11 -1.43 1.01 -1.23 0.22 116.67 118.86 1k2m s ASP 645 Ca 0.00 -0.49 0.04 0.00 0.71 0.00 0.00 52.55 52.81 1k2m s ASP 645 Cb 0.00 -0.57 -0.04 0.00 1.01 0.00 0.00 42.92 43.32 1k2m s ASP 645 CO 0.00 0.22 -0.11 -1.81 0.21 0.00 0.00 175.17 173.68 1k2m s ASP 646 N -1.75 1.63 -0.25 0.27 1.01 0.44 -3.77 116.67 114.25 1k2m s ASP 646 Ca 0.16 -0.84 -0.08 0.00 0.71 0.00 0.00 52.55 52.51 1k2m s ASP 646 Cb -0.10 -0.01 -0.03 0.00 1.01 0.00 0.00 42.92 43.78 1k2m s ASP 646 CO 0.07 -0.24 0.08 0.27 0.21 0.00 0.00 175.17 175.56 1k2m s ILE 647 N -2.47 4.36 -0.20 0.77 -4.36 -1.26 0.83 121.20 118.87 1k2m s ILE 647 Ca 0.08 -0.17 -0.08 0.00 -0.26 0.00 0.00 60.65 60.22 1k2m s ILE 647 Cb -0.03 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.60 1k2m s ILE 647 CO 0.01 0.33 0.07 0.26 0.24 0.00 0.00 174.94 175.85 1k2m s TRP 648 N 1.62 3.24 -0.34 1.37 0.52 0.44 0.99 118.94 126.78 1k2m s TRP 648 Ca 0.06 0.03 -0.21 0.00 0.02 0.00 0.00 56.10 56.01 1k2m s TRP 648 Cb -0.15 -2.12 -0.00 0.00 -1.15 0.00 0.00 33.47 30.05 1k2m s TRP 648 CO 0.04 0.09 0.65 -0.47 0.02 0.00 0.00 176.95 177.28 1k2m s TYR 649 N 0.58 3.17 -0.11 -1.98 5.04 0.51 0.16 117.35 124.73 1k2m s TYR 649 Ca 0.04 0.47 -0.10 0.00 -2.44 0.00 0.00 57.07 55.04 1k2m s TYR 649 Cb -0.13 -3.11 -0.05 0.00 0.35 0.00 0.00 41.96 39.02 1k2m s TYR 649 CO 0.01 -0.58 0.21 0.00 -1.34 0.00 0.00 175.55 173.85 1k2m s HIS 651 N -0.69 2.54 -0.07 0.00 2.46 -0.14 0.42 115.29 119.81 1k2m s HIS 651 Ca 0.16 -1.41 0.01 0.00 0.47 0.00 0.00 55.06 54.28 1k2m s HIS 651 Cb -0.13 -1.77 0.01 0.00 -0.13 0.00 0.00 32.58 30.56 1k2m s HIS 651 CO 0.05 -0.70 0.68 0.25 -2.47 0.00 0.00 174.74 172.54 1k2m n THR 652 N 4.49 0.32 -2.77 0.89 -2.24 0.05 0.12 114.28 115.14 1k2m n THR 652 Ca -0.20 -0.66 -0.35 0.00 -2.27 0.00 0.00 64.05 60.57 1k2m n THR 652 Cb 0.50 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 1k2m n THR 652 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1k2m s GLY 653 N -0.35 2.64 0.17 3.38 0.00 0.66 -4.80 107.32 109.02 1k2m s GLY 653 Ca 0.01 0.50 0.25 0.00 0.00 0.00 0.00 44.72 45.48 1k2m s GLY 653 CO 0.01 0.87 1.77 2.41 0.00 0.00 0.00 173.10 178.16 1k2m n THR 654 N 0.03 0.56 1.77 0.90 -1.04 -1.26 -3.07 114.28 112.17 1k2m n THR 654 Ca 0.04 -0.10 0.12 0.00 -2.04 0.00 0.00 64.05 62.08 1k2m n THR 654 Cb 0.52 -0.71 0.63 0.00 -1.82 0.00 0.00 70.33 68.94 1k2m n THR 654 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1k2m n ASN 655 N -2.07 0.56 -1.43 8.00 4.13 -1.26 -4.92 115.26 118.27 1k2m n ASN 655 Ca 0.05 -1.37 0.00 0.00 1.68 0.00 0.00 54.58 54.94 1k2m n ASN 655 Cb 0.36 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.58 1k2m n ASN 655 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1k2m n VAL 656 N -0.49 -2.75 -4.11 2.41 3.14 -1.18 -4.80 118.33 110.56 1k2m n VAL 656 Ca 0.18 1.27 -0.23 0.00 -2.96 0.00 0.00 64.34 62.59 1k2m n VAL 656 Cb 0.17 -1.72 -0.07 0.00 -1.06 0.00 0.00 33.84 31.17 1k2m n VAL 656 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1k2m s SER 657 N -2.91 4.58 -0.12 6.55 0.01 0.24 -4.55 113.70 117.50 1k2m s SER 657 Ca 0.00 -0.87 -0.00 0.00 1.31 0.00 0.00 55.95 56.39 1k2m s SER 657 Cb 0.00 -0.64 0.02 0.00 0.21 0.00 0.00 66.02 65.62 1k2m s SER 657 CO 0.00 -0.36 -0.09 -0.31 0.41 0.00 0.00 173.24 172.88 1k2m s TYR 658 N -2.48 1.64 -0.55 2.43 2.02 0.45 0.16 117.35 121.02 1k2m s TYR 658 Ca 0.39 -0.85 -0.16 0.00 -0.37 0.00 0.00 57.07 56.08 1k2m s TYR 658 Cb -0.01 -1.31 0.13 0.00 -0.40 0.00 0.00 41.96 40.37 1k2m s TYR 658 CO 0.22 -0.55 0.52 -1.17 -1.57 0.00 0.00 175.55 173.01 1k2m s LEU 659 N 1.65 6.16 0.00 -1.29 2.96 0.55 0.17 118.68 128.89 1k2m s LEU 659 Ca 0.05 -1.80 0.00 0.00 -0.22 0.00 0.00 54.13 52.16 1k2m s LEU 659 Cb -0.13 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.35 1k2m s LEU 659 CO -0.09 -0.87 0.00 0.59 -1.32 0.00 0.00 176.35 174.67 1k2m n ASN 660 N 5.27 0.00 0.00 3.68 5.03 -1.15 -0.19 115.26 127.91 1k2m n ASN 660 Ca -0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.32 1k2m n ASN 660 Cb 0.40 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 1k2m n ASN 660 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1k2m n ASN 661 N 1.49 0.39 -4.80 6.41 5.15 -1.26 -5.05 115.26 117.58 1k2m n ASN 661 Ca 0.00 -0.97 -0.36 0.00 -0.60 0.00 0.00 54.58 52.66 1k2m n ASN 661 Cb 0.00 0.02 -0.07 0.00 -0.53 0.00 0.00 39.78 39.19 1k2m n ASN 661 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1k2m s ASN 662 N -0.02 5.90 0.30 1.20 -0.87 0.74 -5.09 114.94 117.11 1k2m s ASN 662 Ca 0.00 0.31 -0.28 0.00 -1.57 0.00 0.00 52.86 51.32 1k2m s ASN 662 Cb 0.00 -1.81 -0.09 0.00 -0.02 0.00 0.00 41.25 39.33 1k2m s ASN 662 CO 0.00 0.37 1.02 -0.13 -2.57 0.00 0.00 177.10 175.79 1k2m s ARG 663 N -1.12 4.60 -0.49 -0.60 0.52 -1.26 -0.33 118.95 120.26 1k2m s ARG 663 Ca 0.16 1.58 0.04 0.00 -0.52 0.00 0.00 55.73 56.99 1k2m s ARG 663 Cb -0.12 -3.03 0.13 0.00 0.52 0.00 0.00 34.95 32.45 1k2m s ARG 663 CO 0.06 0.24 0.24 -1.64 0.02 0.00 0.00 175.30 174.21 1k2m s MET 664 N -1.68 1.84 0.47 3.54 -1.94 0.43 -4.84 119.30 117.13 1k2m s MET 664 Ca 0.47 -2.48 -0.06 0.00 -1.71 0.00 0.00 55.69 51.92 1k2m s MET 664 Cb -0.26 -3.19 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 1k2m s MET 664 CO 0.33 -1.10 0.78 0.96 -0.01 0.00 0.00 175.02 175.98 1k2m s ILE 665 N -0.10 4.90 -0.35 2.53 -4.36 -1.26 0.81 121.20 123.37 1k2m s ILE 665 Ca 0.16 0.22 -0.31 0.00 -0.26 0.00 0.00 60.65 60.47 1k2m s ILE 665 Cb -0.25 -3.85 -0.09 0.00 1.25 0.00 0.00 42.46 39.52 1k2m s ILE 665 CO -0.01 -0.81 2.26 1.67 0.24 0.00 0.00 174.94 178.29 1k2m n GLN 666 N -2.15 1.36 0.00 0.37 7.27 -1.25 -2.17 117.38 120.81 1k2m n GLN 666 Ca 0.01 0.33 0.00 0.00 0.07 0.00 0.00 57.00 57.40 1k2m n GLN 666 Cb 0.55 -2.87 0.00 0.00 2.41 0.00 0.00 30.24 30.33 1k2m n GLN 666 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1k2m n GLY 667 N 6.17 1.55 3.19 1.69 0.00 0.31 -4.94 105.19 113.17 1k2m n GLY 667 Ca 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 1k2m n GLY 667 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k2m s THR 668 N -2.00 0.82 -0.00 2.61 -4.23 -0.92 0.22 115.64 112.13 1k2m s THR 668 Ca 0.00 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1k2m s THR 668 Cb 0.00 -1.70 -0.00 0.00 1.34 0.00 0.00 72.50 72.13 1k2m s THR 668 CO 0.00 -0.83 -0.04 -1.59 -0.54 0.00 0.00 174.62 171.62 1k2m s LYS 669 N -3.76 0.34 0.03 3.99 -2.85 0.94 -0.96 119.74 117.47 1k2m s LYS 669 Ca 0.13 -0.15 0.04 0.00 -1.00 0.00 0.00 55.97 54.99 1k2m s LYS 669 Cb 0.04 -0.33 -0.02 0.00 -2.06 0.00 0.00 37.83 35.46 1k2m s LYS 669 CO -0.03 0.09 -0.12 0.12 0.10 0.00 0.00 175.35 175.50 1k2m s PHE 670 N -0.08 1.04 0.21 1.78 2.19 -0.09 -0.27 117.98 122.76 1k2m s PHE 670 Ca 0.01 -0.31 -0.30 0.00 0.33 0.00 0.00 56.93 56.66 1k2m s PHE 670 Cb -0.02 -0.63 -0.09 0.00 -1.31 0.00 0.00 43.02 40.97 1k2m s PHE 670 CO -0.00 0.01 1.33 -0.51 1.83 0.00 0.00 175.22 177.87 1k2m s LEU 671 N -0.93 4.41 -0.14 6.12 1.43 -1.26 0.19 118.68 128.51 1k2m s LEU 671 Ca 0.01 2.45 -0.05 0.00 -1.03 0.00 0.00 54.13 55.50 1k2m s LEU 671 Cb -0.07 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1k2m s LEU 671 CO 0.01 -0.55 0.05 -0.76 0.23 0.00 0.00 176.35 175.32 1k2m s LEU 672 N -0.18 3.81 0.08 1.79 1.43 0.28 -4.85 118.68 121.03 1k2m s LEU 672 Ca 0.57 0.16 0.10 0.00 -1.03 0.00 0.00 54.13 53.93 1k2m s LEU 672 Cb -0.37 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 1k2m s LEU 672 CO 0.39 0.29 -0.26 -1.10 0.23 0.00 0.00 176.35 175.90 1k2m s GLN 673 N -0.33 1.66 -0.67 1.70 -0.21 -0.81 -4.36 119.66 116.63 1k2m s GLN 673 Ca 0.08 -1.20 -0.33 0.00 0.02 0.00 0.00 55.36 53.93 1k2m s GLN 673 Cb -0.12 -1.96 -0.16 0.00 1.00 0.00 0.00 33.01 31.76 1k2m s GLN 673 CO 0.02 0.49 2.44 -3.47 -2.12 0.00 0.00 175.29 172.64 1k2m n ASP 674 N 1.41 1.13 0.00 5.90 -0.08 -1.26 -0.09 116.55 123.56 1k2m n ASP 674 Ca -0.17 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1k2m n ASP 674 Cb 0.52 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 42.88 1k2m n ASP 674 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k2m n GLY 675 N 6.61 1.75 3.55 0.27 0.00 0.46 -4.88 105.19 112.96 1k2m n GLY 675 Ca 0.53 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 1k2m n GLY 675 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2m s ASP 676 N -2.00 6.41 -0.45 1.61 2.15 0.87 -4.76 116.67 120.50 1k2m s ASP 676 Ca 0.00 -0.03 -0.18 0.00 0.43 0.00 0.00 52.55 52.77 1k2m s ASP 676 Cb 0.00 -2.35 0.04 0.00 -0.30 0.00 0.00 42.92 40.31 1k2m s ASP 676 CO 0.00 -0.75 0.52 -0.70 -0.17 0.00 0.00 175.17 174.07 1k2m s GLU 677 N 2.96 3.12 -0.11 4.34 -6.30 -1.26 0.15 118.70 121.59 1k2m s GLU 677 Ca 0.26 -0.79 -0.03 0.00 -2.50 0.00 0.00 54.97 51.91 1k2m s GLU 677 Cb -0.13 -4.02 -0.03 0.00 0.00 0.00 0.00 34.13 29.94 1k2m s GLU 677 CO 0.18 -1.00 0.02 0.96 0.02 0.00 0.00 175.26 175.44 1k2m s ILE 678 N 2.35 4.45 -0.34 -3.70 -4.36 0.72 -2.92 121.20 117.40 1k2m s ILE 678 Ca 0.14 -0.18 -0.17 0.00 -0.26 0.00 0.00 60.65 60.18 1k2m s ILE 678 Cb -0.18 -2.91 -0.01 0.00 1.25 0.00 0.00 42.46 40.62 1k2m s ILE 678 CO 0.13 0.57 0.44 -0.54 0.24 0.00 0.00 174.94 175.79 1k2m s LYS 679 N -0.58 3.63 0.02 0.37 1.02 0.46 0.00 119.74 124.66 1k2m s LYS 679 Ca 0.10 -0.24 -0.12 0.00 0.02 0.00 0.00 55.97 55.73 1k2m s LYS 679 Cb -0.12 -3.79 -0.33 0.00 -0.52 0.00 0.00 37.83 33.07 1k2m s LYS 679 CO 0.02 -0.56 0.93 0.82 -0.92 0.00 0.00 175.35 175.64 1k2m h ILE 680 N 5.56 1.22 -2.36 2.17 2.04 -1.66 1.30 117.51 125.79 1k2m h ILE 680 Ca -0.29 -2.73 -0.06 0.00 1.00 0.00 0.00 64.86 62.79 1k2m h ILE 680 Cb 1.14 2.94 -0.24 0.00 -0.74 0.00 0.00 36.82 39.92 1k2m h ILE 680 CO 0.73 0.83 -0.14 -0.63 0.00 0.00 0.00 178.15 178.94 1k2m s ILE 681 N -2.61 -0.01 -0.05 -0.67 1.01 -1.21 -4.08 121.20 113.57 1k2m s ILE 681 Ca -0.10 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1k2m s ILE 681 Cb 0.05 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.77 1k2m s ILE 681 CO 0.91 0.02 0.01 0.86 0.00 0.00 0.00 174.94 176.73 1k2m s TRP 682 N 1.34 0.50 -0.16 3.97 -0.00 -1.23 0.15 118.94 123.51 1k2m s TRP 682 Ca -0.08 -0.06 0.00 0.00 -0.00 0.00 0.00 56.10 55.95 1k2m s TRP 682 Cb -0.06 -0.65 0.04 0.00 -0.00 0.00 0.00 33.47 32.79 1k2m s TRP 682 CO -0.14 -0.25 -0.08 0.34 -0.00 0.00 0.00 176.95 176.82 1k2m s ASP 683 N 1.70 2.85 0.06 5.86 -1.08 0.34 -4.95 116.67 121.44 1k2m s ASP 683 Ca 0.00 -0.63 -0.20 0.00 -0.52 0.00 0.00 52.55 51.20 1k2m s ASP 683 Cb -0.13 -1.03 -0.12 0.00 -1.46 0.00 0.00 42.92 40.18 1k2m s ASP 683 CO -0.04 -0.14 1.44 0.11 0.52 0.00 0.00 175.17 177.06 1k2m h LYS 684 N 8.08 0.34 -0.26 4.34 1.57 -1.94 0.63 116.57 129.34 1k2m h LYS 684 Ca -0.28 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.18 1k2m h LYS 684 Cb 1.12 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1k2m h LYS 684 CO 0.44 0.62 -0.55 -0.91 -0.57 0.00 0.00 179.45 178.48 1k2m h ASN 685 N 0.05 0.93 0.31 0.86 2.35 -1.98 -3.15 115.58 114.95 1k2m h ASN 685 Ca 0.04 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1k2m h ASN 685 Cb 0.50 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1k2m h ASN 685 CO 0.02 1.31 -0.31 -3.20 -1.65 0.00 0.00 177.43 173.60 1k2m n ASN 686 N -4.04 0.86 -1.42 5.81 5.15 -1.24 -4.92 115.26 115.46 1k2m n ASN 686 Ca -0.05 -0.71 -0.18 0.00 -0.60 0.00 0.00 54.58 53.04 1k2m n ASN 686 Cb 0.63 0.15 -0.08 0.00 -0.53 0.00 0.00 39.78 39.95 1k2m n ASN 686 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1k2m n LYS 687 N -0.88 -1.49 -2.52 1.20 4.01 0.21 -4.89 118.16 113.81 1k2m n LYS 687 Ca 0.11 1.10 -0.42 0.00 -0.51 0.00 0.00 58.31 58.59 1k2m n LYS 687 Cb 0.34 -5.46 -0.03 0.00 -0.51 0.00 0.00 35.03 29.37 1k2m n LYS 687 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1k2m s PHE 688 N -2.50 2.44 -0.18 2.13 5.36 -0.77 -4.83 117.98 119.63 1k2m s PHE 688 Ca 0.00 0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 1k2m s PHE 688 Cb 0.00 -4.51 0.01 0.00 -0.34 0.00 0.00 43.02 38.18 1k2m s PHE 688 CO 0.00 -1.80 -0.17 0.54 -1.46 0.00 0.00 175.22 172.33 1k2m s VAL 689 N 5.45 2.41 -0.03 3.12 0.11 -1.26 0.13 120.40 130.33 1k2m s VAL 689 Ca 0.43 -0.83 0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1k2m s VAL 689 Cb -0.08 -2.02 -0.01 0.00 -1.53 0.00 0.00 36.38 32.74 1k2m s VAL 689 CO 0.23 0.52 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.74 1k2m s ILE 690 N 1.16 1.20 -0.29 7.04 -1.09 0.40 -1.69 121.20 127.93 1k2m s ILE 690 Ca 0.01 -0.61 -0.17 0.00 -2.23 0.00 0.00 60.65 57.65 1k2m s ILE 690 Cb -0.14 -1.02 0.13 0.00 -1.58 0.00 0.00 42.46 39.85 1k2m s ILE 690 CO -0.07 0.35 0.93 -0.83 -1.23 0.00 0.00 174.94 174.09 1k2m s GLY 691 N -0.08 -0.12 0.02 6.18 0.00 -1.26 -1.93 107.32 110.13 1k2m s GLY 691 Ca 0.00 2.97 0.05 0.00 0.00 0.00 0.00 44.72 47.75 1k2m s GLY 691 CO 0.01 2.48 -0.11 -1.36 0.00 0.00 0.00 173.10 174.12 1k2m s PHE 692 N 1.27 2.75 -0.31 1.90 0.08 0.10 -2.62 117.98 121.16 1k2m s PHE 692 Ca -0.08 -0.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.73 1k2m s PHE 692 Cb -0.04 -1.54 -0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1k2m s PHE 692 CO -0.15 0.32 0.19 0.21 -0.10 0.00 0.00 175.22 175.69 1k2m s LYS 693 N -1.44 3.60 -0.22 0.44 2.20 -1.09 -0.20 119.74 123.03 1k2m s LYS 693 Ca 0.16 -0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 1k2m s LYS 693 Cb -0.11 -3.66 0.01 0.00 -1.51 0.00 0.00 37.83 32.56 1k2m s LYS 693 CO 0.07 -0.34 1.09 0.08 -0.36 0.00 0.00 175.35 175.89 1k2m s VAL 694 N 1.70 4.59 -0.24 4.02 1.01 0.38 -1.23 120.40 130.62 1k2m s VAL 694 Ca 0.06 1.91 0.01 0.00 0.00 0.00 0.00 61.98 63.95 1k2m s VAL 694 Cb -0.17 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 32.02 1k2m s VAL 694 CO 0.09 -0.20 -0.04 -0.70 0.00 0.00 0.00 175.10 174.26 1k2m s GLU 695 N 3.30 1.50 -0.60 2.72 2.12 0.55 0.17 118.70 128.47 1k2m s GLU 695 Ca 0.46 -0.98 -0.28 0.00 0.36 0.00 0.00 54.97 54.53 1k2m s GLU 695 Cb -0.16 -2.55 0.03 0.00 0.26 0.00 0.00 34.13 31.71 1k2m s GLU 695 CO 0.08 -0.63 1.22 0.42 -0.54 0.00 0.00 175.26 175.81 1k2m s ILE 696 N 1.42 3.97 -0.16 -3.70 1.01 -1.26 0.10 121.20 122.59 1k2m s ILE 696 Ca -0.04 0.84 -0.24 0.00 0.00 0.00 0.00 60.65 61.21 1k2m s ILE 696 Cb -0.19 -4.73 -0.23 0.00 0.01 0.00 0.00 42.46 37.32 1k2m s ILE 696 CO -0.07 -1.39 0.51 0.78 0.00 0.00 0.00 174.94 174.77 1k2m h ASN 697 N 9.68 0.06 -3.69 3.58 2.35 -0.38 -3.46 115.58 123.72 1k2m h ASN 697 Ca -0.25 -0.77 -0.68 0.00 -0.55 0.00 0.00 56.30 54.05 1k2m h ASN 697 Cb 1.06 -0.02 -0.21 0.00 0.05 0.00 0.00 38.32 39.20 1k2m h ASN 697 CO 1.20 1.30 -0.71 -0.62 -1.65 0.00 0.00 177.43 176.95 1k2m s ASP 698 N -6.62 4.48 -0.38 5.81 2.15 -1.00 -5.00 116.67 116.10 1k2m s ASP 698 Ca -0.23 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 52.66 1k2m s ASP 698 Cb 0.02 -1.18 0.11 0.00 -0.30 0.00 0.00 42.92 41.56 1k2m s ASP 698 CO 0.66 0.33 0.14 0.42 -0.17 0.00 0.00 175.17 176.55 1k2m s THR 699 N -0.61 2.85 -1.41 1.71 -4.23 -1.26 -4.43 115.64 108.26 1k2m s THR 699 Ca 0.09 -2.20 -0.09 0.00 -1.18 0.00 0.00 61.69 58.31 1k2m s THR 699 Cb -0.12 -3.01 -0.07 0.00 1.34 0.00 0.00 72.50 70.64 1k2m s THR 699 CO 0.02 -0.65 2.66 1.07 -0.54 0.00 0.00 174.62 177.17 1k2m n THR 700 N 4.43 3.70 -3.89 3.99 5.66 -1.26 -4.48 114.28 122.42 1k2m n THR 700 Ca 0.01 -2.28 -0.28 0.00 -3.05 0.00 0.00 64.05 58.44 1k2m n THR 700 Cb 0.42 -2.48 0.02 0.00 -1.55 0.00 0.00 70.33 66.73 1k2m n THR 700 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1k2m n GLY 701 N 3.69 -0.42 2.10 1.09 0.00 -1.26 -4.86 105.19 105.54 1k2m n GLY 701 Ca 0.67 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 46.63 1k2m n GLY 701 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1k2m n LEU 702 N -4.54 6.55 -2.29 0.99 -0.00 -1.26 -3.54 117.00 112.91 1k2m n LEU 702 Ca -0.07 -3.51 -0.00 0.00 -0.00 0.00 0.00 56.01 52.42 1k2m n LEU 702 Cb 0.57 -0.85 -0.00 0.00 -0.00 0.00 0.00 43.42 43.14 1k2m n LEU 702 CO 0.75 1.10 -0.48 0.33 -0.00 0.00 0.00 177.39 179.09 1k2m n PHE 703 N -0.81 -4.50 0.00 1.47 7.35 -1.25 -3.89 117.46 115.82 1k2m n PHE 703 Ca 0.52 2.67 0.00 0.00 -0.76 0.00 0.00 57.45 59.88 1k2m n PHE 703 Cb 1.26 -3.74 0.00 0.00 0.35 0.00 0.00 39.48 37.35 1k2m n PHE 703 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1k2m n ASN 704 N 1.71 0.00 0.00 -2.13 5.15 -1.26 -2.62 115.26 116.11 1k2m n ASN 704 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1k2m n ASN 704 Cb 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1k2m n ASN 704 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1k2m n GLU 705 N 0.00 0.00 0.00 1.20 0.28 -1.25 -4.96 120.64 115.91 1k2m n GLU 705 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1k2m n GLU 705 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1k2m n GLU 705 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k2m n GLY 706 N 0.00 0.11 0.08 -1.84 0.00 -1.08 -4.61 105.19 97.86 1k2m n GLY 706 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1k2m n GLY 706 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k2m n LEU 707 N 0.00 0.30 -3.37 0.99 4.32 -1.26 -1.93 117.00 116.05 1k2m n LEU 707 Ca 0.00 0.05 -0.28 0.00 -0.02 0.00 0.00 56.01 55.76 1k2m n LEU 707 Cb 0.00 -0.15 0.03 0.00 -1.62 0.00 0.00 43.42 41.67 1k2m n LEU 707 CO 0.00 0.05 -0.30 0.61 -1.22 0.00 0.00 177.39 176.54 1k2m n GLY 708 N 1.21 -0.11 2.12 -0.72 0.00 -1.26 -4.86 105.19 101.56 1k2m n GLY 708 Ca 0.17 0.93 -0.21 0.00 0.00 0.00 0.00 46.02 46.91 1k2m n GLY 708 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1k2m n MET 709 N 0.12 2.22 -0.62 1.61 0.00 -1.26 -4.71 117.12 114.49 1k2m n MET 709 Ca -0.05 -2.77 -0.31 0.00 0.00 0.00 0.00 57.70 54.58 1k2m n MET 709 Cb 0.61 -2.09 0.20 0.00 0.00 0.00 0.00 33.22 31.94 1k2m n MET 709 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1k2m n LEU 710 N -0.97 0.21 -0.20 3.17 -0.00 -1.26 -4.84 117.00 113.11 1k2m n LEU 710 Ca 0.54 0.11 0.20 0.00 -0.00 0.00 0.00 56.01 56.86 1k2m n LEU 710 Cb 1.57 -1.28 0.56 0.00 -0.00 0.00 0.00 43.42 44.27 1k2m n LEU 710 CO 0.55 -2.94 1.22 -0.61 -0.00 0.00 0.00 177.39 175.61 1k2m h GLN 711 N -2.17 0.30 -6.41 1.47 5.75 -2.05 -3.40 115.11 108.60 1k2m h GLN 711 Ca -0.52 -0.02 -0.54 0.00 -0.15 0.00 0.00 58.65 57.42 1k2m h GLN 711 Cb 1.31 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.75 1k2m h GLN 711 CO 0.43 0.20 0.10 -1.21 -2.65 0.00 0.00 178.83 175.69 1k2m s GLU 712 N -5.32 4.43 -0.71 1.69 2.02 -1.26 -5.01 118.70 114.54 1k2m s GLU 712 Ca -0.07 1.00 -0.26 0.00 0.02 0.00 0.00 54.97 55.66 1k2m s GLU 712 Cb 0.22 -3.25 0.04 0.00 0.10 0.00 0.00 34.13 31.24 1k2m s GLU 712 CO 0.77 0.59 1.17 -0.65 0.02 0.00 0.00 175.26 177.17 1k2m s GLN 713 N -1.11 3.17 -0.11 1.61 -1.52 -1.26 -4.57 119.66 115.86 1k2m s GLN 713 Ca 0.33 -0.42 -0.10 0.00 -1.95 0.00 0.00 55.36 53.22 1k2m s GLN 713 Cb -0.22 -4.19 0.01 0.00 -0.22 0.00 0.00 33.01 28.40 1k2m s GLN 713 CO 0.23 -2.03 0.16 0.54 -0.25 0.00 0.00 175.29 173.94 1k2m n ARG 714 N 8.81 -0.65 -4.86 2.91 5.12 -1.26 -4.99 116.66 121.74 1k2m n ARG 714 Ca 0.01 0.91 -0.26 0.00 -1.93 0.00 0.00 57.85 56.58 1k2m n ARG 714 Cb 0.48 -1.21 -0.15 0.00 -1.16 0.00 0.00 32.46 30.42 1k2m n ARG 714 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1k2m s VAL 715 N -1.10 1.64 -0.04 1.55 -7.23 -1.26 -5.00 120.40 108.95 1k2m s VAL 715 Ca 0.09 -1.00 -0.25 0.00 -1.81 0.00 0.00 61.98 59.01 1k2m s VAL 715 Cb -0.01 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 1k2m s VAL 715 CO 0.21 0.36 0.79 0.54 -0.31 0.00 0.00 175.10 176.69 1k2m s VAL 716 N -0.61 4.98 0.42 1.32 0.11 -1.26 -4.69 120.40 120.67 1k2m s VAL 716 Ca 0.08 1.64 0.07 0.00 -2.93 0.00 0.00 61.98 60.84 1k2m s VAL 716 Cb -0.08 -4.13 0.01 0.00 -1.53 0.00 0.00 36.38 30.65 1k2m s VAL 716 CO 0.00 0.23 0.58 -0.76 -3.33 0.00 0.00 175.10 171.82 1k2m s LEU 717 N 0.82 3.65 0.18 2.54 1.43 0.62 -4.95 118.68 122.98 1k2m s LEU 717 Ca 0.42 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1k2m s LEU 717 Cb -0.19 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1k2m s LEU 717 CO 0.21 -0.77 0.23 -0.75 0.23 0.00 0.00 176.35 175.51 1k2m s LYS 718 N -4.37 3.17 0.37 1.70 2.20 -1.26 -0.04 119.74 121.52 1k2m s LYS 718 Ca 0.55 -0.79 -0.16 0.00 -0.36 0.00 0.00 55.97 55.21 1k2m s LYS 718 Cb -0.10 -2.78 -0.09 0.00 -1.51 0.00 0.00 37.83 33.35 1k2m s LYS 718 CO 0.33 0.48 0.82 -0.65 -0.36 0.00 0.00 175.35 175.96 1k2m s GLN 719 N -3.39 4.04 0.40 4.03 -0.21 0.13 -4.53 119.66 120.13 1k2m s GLN 719 Ca 0.33 0.79 0.02 0.00 0.02 0.00 0.00 55.36 56.52 1k2m s GLN 719 Cb -0.10 -2.34 -0.01 0.00 1.00 0.00 0.00 33.01 31.57 1k2m s GLN 719 CO 0.26 0.06 0.07 0.25 -2.12 0.00 0.00 175.29 173.81 1k2m n THR 720 N -0.62 0.00 -0.06 -0.19 -2.24 -1.26 -4.91 114.28 104.99 1k2m n THR 720 Ca 0.05 -2.11 0.18 0.00 -2.27 0.00 0.00 64.05 59.90 1k2m n THR 720 Cb 0.54 0.62 0.62 0.00 -2.10 0.00 0.00 70.33 70.00 1k2m n THR 720 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k2m h ALA 721 N 1.44 2.36 -0.07 6.98 0.00 -1.98 -1.20 119.26 126.80 1k2m h ALA 721 Ca -0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1k2m h ALA 721 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1k2m h ALA 721 CO 0.52 -0.53 0.04 1.49 0.00 0.00 0.00 179.25 180.76 1k2m h GLU 722 N 0.15 0.10 -0.11 0.00 4.22 -1.99 0.12 114.58 117.07 1k2m h GLU 722 Ca 0.29 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.70 1k2m h GLU 722 Cb 0.95 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1k2m h GLU 722 CO -0.04 0.17 0.00 0.93 -2.18 0.00 0.00 179.01 177.89 1k2m h GLU 723 N 0.00 0.19 -0.47 1.92 3.07 -1.66 -2.82 114.58 114.81 1k2m h GLU 723 Ca 0.02 -0.06 0.07 0.00 -0.50 0.00 0.00 59.36 58.89 1k2m h GLU 723 Cb 0.10 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 1k2m h GLU 723 CO -0.00 0.43 0.32 -0.22 -1.40 0.00 0.00 179.01 178.13 1k2m h LYS 724 N -0.08 0.35 -0.46 2.33 3.64 -1.22 -0.78 116.57 120.36 1k2m h LYS 724 Ca 0.03 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1k2m h LYS 724 Cb 0.34 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1k2m h LYS 724 CO 0.00 0.23 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.94 1k2m h ASP 725 N 0.36 0.74 -0.57 4.20 3.32 -0.73 -0.66 116.42 123.08 1k2m h ASP 725 Ca 0.21 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1k2m h ASP 725 Cb 0.37 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1k2m h ASP 725 CO -0.05 0.83 0.36 -0.07 -1.72 0.00 0.00 179.24 178.59 1k2m h LEU 726 N 0.71 0.67 -0.45 1.55 3.38 -0.92 -2.24 115.31 118.02 1k2m h LEU 726 Ca 0.14 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1k2m h LEU 726 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1k2m h LEU 726 CO 0.02 0.52 -0.33 1.62 0.09 0.00 0.00 178.44 180.36 1k2m h VAL 727 N 0.77 0.64 -0.62 1.22 3.04 -1.39 -3.27 116.25 116.65 1k2m h VAL 727 Ca 0.21 -1.64 0.11 0.00 -1.01 0.00 0.00 66.70 64.37 1k2m h VAL 727 Cb -0.05 2.11 -0.08 0.00 -2.01 0.00 0.00 31.29 31.26 1k2m h VAL 727 CO -0.04 0.33 0.19 0.50 -1.01 0.00 0.00 177.57 177.53 1k2m h LYS 728 N 0.00 0.33 0.00 4.17 3.64 -0.48 0.20 116.57 124.43 1k2m h LYS 728 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1k2m h LYS 728 Cb 1.08 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1k2m h LYS 728 CO 0.04 0.22 -0.13 0.87 -2.27 0.00 0.00 179.45 178.19 1k2m h LYS 729 N 0.34 0.00 0.00 1.90 1.57 -1.60 -3.51 116.57 115.27 1k2m h LYS 729 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1k2m h LYS 729 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1k2m h LYS 729 CO -0.36 0.13 0.00 -0.11 -0.57 0.00 0.00 179.45 178.54