#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itm n ASP 580 N 0.00 1.96 -0.39 -1.12 8.00 -1.26 -4.01 116.55 119.72 3itm n ASP 580 Ca 0.00 0.26 0.36 0.00 0.71 0.00 0.00 54.79 56.13 3itm n ASP 580 Cb 0.00 -0.80 0.72 0.00 -0.02 0.00 0.00 41.12 41.02 3itm n ASP 580 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3itm h GLU 581 N -0.68 0.07 0.20 -1.24 5.08 -2.03 -1.43 114.58 114.54 3itm h GLU 581 Ca -0.55 -0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.47 3itm h GLU 581 Cb 1.63 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.89 3itm h GLU 581 CO -0.24 0.04 -1.61 -0.92 -1.00 0.00 0.00 179.01 175.28 3itm h TYR 582 N 0.07 0.76 -1.11 4.33 3.20 -1.99 -3.33 116.97 118.90 3itm h TYR 582 Ca 0.65 -0.56 0.32 0.00 3.14 0.00 0.00 58.73 62.29 3itm h TYR 582 Cb 2.41 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 40.61 3itm h TYR 582 CO -0.00 1.63 0.84 0.00 -1.64 0.00 0.00 178.16 178.98 3itm h THR 583 N 0.06 0.38 0.04 1.81 1.03 -1.39 -1.83 112.91 113.01 3itm h THR 583 Ca -0.31 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 65.99 3itm h THR 583 Cb 2.07 0.41 -0.00 0.00 -1.07 0.00 0.00 68.15 69.56 3itm h THR 583 CO 0.19 0.00 -0.48 0.11 -0.01 0.00 0.00 175.52 175.33 3itm h LYS 584 N 0.00 0.09 -1.68 0.00 1.57 -1.65 -3.28 116.57 111.62 3itm h LYS 584 Ca 0.53 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3itm h LYS 584 Cb 2.19 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.56 3itm h LYS 584 CO -0.01 1.07 0.00 1.28 -0.57 0.00 0.00 179.45 181.23 3itm n LEU 585 N -4.42 2.88 0.00 2.94 4.77 -0.69 -1.47 117.00 121.02 3itm n LEU 585 Ca -0.15 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 3itm n LEU 585 Cb 0.62 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3itm n LEU 585 CO 0.36 0.52 0.00 0.18 -1.33 0.00 0.00 177.39 177.12 3itm n LEU 586 N 1.19 0.00 0.21 2.23 4.32 -1.25 -4.32 117.00 119.37 3itm n LEU 586 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.05 3itm n LEU 586 Cb 0.34 0.00 0.45 0.00 -1.62 0.00 0.00 43.42 42.59 3itm n LEU 586 CO 0.00 0.00 0.78 -0.74 -1.22 0.00 0.00 177.39 176.21 3itm h HIS 587 N 0.00 0.00 0.00 -1.77 2.76 -1.45 -3.34 115.15 111.35 3itm h HIS 587 Ca 0.00 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 3itm h HIS 587 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 3itm h HIS 587 CO 0.00 0.30 -0.49 -0.44 -1.30 0.00 0.00 177.93 176.00 3itm h ASP 588 N 0.00 0.00 -3.97 3.26 3.32 -1.55 -3.52 116.42 113.97 3itm h ASP 588 Ca -0.00 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 56.83 3itm h ASP 588 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3itm h ASP 588 CO 0.04 0.89 -0.05 0.61 -1.72 0.00 0.00 179.24 179.01 3itm n GLY 589 N 1.61 -1.96 3.71 2.75 0.00 -1.26 -4.91 105.19 105.14 3itm n GLY 589 Ca -0.11 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3itm n GLY 589 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3itm s ILE 590 N -2.03 4.73 0.17 -0.61 1.01 -1.26 -4.90 121.20 118.30 3itm s ILE 590 Ca 0.00 1.99 -0.04 0.00 0.00 0.00 0.00 60.65 62.61 3itm s ILE 590 Cb 0.00 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 3itm s ILE 590 CO 0.00 0.17 0.40 0.00 0.00 0.00 0.00 174.94 175.51 3itm s GLN 591 N 0.88 3.59 0.15 2.79 -2.07 -1.26 -5.04 119.66 118.70 3itm s GLN 591 Ca 0.52 -0.15 -0.30 0.00 -1.82 0.00 0.00 55.36 53.61 3itm s GLN 591 Cb -0.22 -2.83 -0.07 0.00 -1.09 0.00 0.00 33.01 28.80 3itm s GLN 591 CO 0.28 0.43 1.13 -2.14 -1.32 0.00 0.00 175.29 173.67 3itm s PRO 592 N -2.91 4.54 0.28 9.60 0.02 -1.26 -4.50 135.00 140.76 3itm s PRO 592 Ca 0.41 1.74 0.06 0.00 0.02 0.00 0.00 61.00 63.23 3itm s PRO 592 Cb -0.12 -3.29 0.79 0.00 0.02 0.00 0.00 34.50 31.90 3itm s PRO 592 CO 0.26 -0.03 1.35 0.28 -0.33 0.00 0.00 177.00 178.53 3itm n VAL 593 N 2.79 -0.36 0.93 3.83 0.31 -1.26 0.39 118.33 124.96 3itm n VAL 593 Ca 0.04 1.86 0.10 0.00 -0.01 0.00 0.00 64.34 66.33 3itm n VAL 593 Cb 0.46 -2.78 0.50 0.00 -0.91 0.00 0.00 33.84 31.11 3itm n VAL 593 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3itm n ALA 594 N -3.01 2.04 0.34 3.52 0.00 -1.26 -1.56 120.51 120.58 3itm n ALA 594 Ca 0.23 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.69 3itm n ALA 594 Cb 0.78 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 3itm n ALA 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3itm n ALA 595 N -1.29 3.07 -0.01 0.00 0.00 0.16 -4.06 120.51 118.38 3itm n ALA 595 Ca 0.09 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 3itm n ALA 595 Cb 0.16 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 3itm n ALA 595 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3itm h ILE 596 N 0.00 1.38 -1.55 0.00 2.04 -1.29 -3.48 117.51 114.62 3itm h ILE 596 Ca 0.00 -1.24 0.09 0.00 1.00 0.00 0.00 64.86 64.71 3itm h ILE 596 Cb 0.85 2.22 -0.27 0.00 -0.74 0.00 0.00 36.82 38.88 3itm h ILE 596 CO 0.00 0.32 0.45 -0.62 0.00 0.00 0.00 178.15 178.29 3itm s ASP 597 N -5.71 -0.45 0.65 1.72 3.68 -1.22 -5.02 116.67 110.31 3itm s ASP 597 Ca -0.16 0.81 0.29 0.00 2.13 0.00 0.00 52.55 55.62 3itm s ASP 597 Cb 0.01 0.97 1.59 0.00 -1.45 0.00 0.00 42.92 44.05 3itm s ASP 597 CO 0.66 -0.13 1.92 0.28 0.13 0.00 0.00 175.17 178.03 3itm h SER 598 N 4.92 0.00 -0.24 -0.34 0.02 -1.89 -0.59 113.55 115.43 3itm h SER 598 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3itm h SER 598 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3itm h SER 598 CO 0.15 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.43 3itm n ASN 599 N -3.11 2.98 0.01 3.07 5.03 -1.26 -4.71 115.26 117.27 3itm n ASN 599 Ca 0.00 -2.34 0.21 0.00 0.87 0.00 0.00 54.58 53.32 3itm n ASN 599 Cb 0.44 -0.29 0.70 0.00 -1.02 0.00 0.00 39.78 39.62 3itm n ASN 599 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3itm h PHE 600 N 1.50 0.00 -0.47 3.10 3.57 -1.42 -0.01 116.94 123.21 3itm h PHE 600 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3itm h PHE 600 Cb 0.89 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 3itm h PHE 600 CO 0.25 0.00 0.01 0.00 -2.23 0.00 0.00 178.31 176.33 3itm n ALA 601 N -2.61 3.62 -2.80 2.41 0.00 -1.26 -4.92 120.51 114.96 3itm n ALA 601 Ca 0.10 -2.08 -0.33 0.00 0.00 0.00 0.00 53.44 51.13 3itm n ALA 601 Cb 0.62 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 3itm n ALA 601 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3itm s SER 602 N -1.19 5.74 0.61 0.00 0.15 -0.02 -4.84 113.70 114.14 3itm s SER 602 Ca 0.51 0.15 0.32 0.00 0.70 0.00 0.00 55.95 57.62 3itm s SER 602 Cb 0.39 -1.66 1.86 0.00 -1.71 0.00 0.00 66.02 64.91 3itm s SER 602 CO 0.13 0.25 2.21 -0.26 1.20 0.00 0.00 173.24 176.78 3itm h PHE 603 N 3.93 0.00 0.00 3.44 0.04 -1.92 -1.45 116.94 120.98 3itm h PHE 603 Ca -0.49 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.25 3itm h PHE 603 Cb 1.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 3itm h PHE 603 CO 0.64 0.00 -0.17 1.79 -0.60 0.00 0.00 178.31 179.97 3itm h THR 604 N 0.00 0.45 -3.61 -1.55 1.35 -1.92 -3.46 112.91 104.17 3itm h THR 604 Ca 0.03 -0.93 -0.52 0.00 -0.55 0.00 0.00 66.41 64.43 3itm h THR 604 Cb 0.18 1.66 0.06 0.00 -1.73 0.00 0.00 68.15 68.32 3itm h THR 604 CO -0.00 0.17 0.68 -0.47 -0.25 0.00 0.00 175.52 175.64 3itm s TYR 605 N -3.72 3.09 -0.49 4.73 5.04 -0.55 -4.91 117.35 120.54 3itm s TYR 605 Ca 0.00 1.25 -0.11 0.00 -2.44 0.00 0.00 57.07 55.77 3itm s TYR 605 Cb 0.10 -3.71 0.12 0.00 0.35 0.00 0.00 41.96 38.83 3itm s TYR 605 CO 0.61 -2.11 0.39 0.95 -1.34 0.00 0.00 175.55 174.05 3itm s THR 606 N -0.51 4.50 0.47 4.34 -4.23 -1.26 -4.96 115.64 113.99 3itm s THR 606 Ca 0.54 -1.70 0.13 0.00 -1.18 0.00 0.00 61.69 59.48 3itm s THR 606 Cb -0.40 -3.94 0.29 0.00 1.34 0.00 0.00 72.50 69.79 3itm s THR 606 CO 0.47 -0.80 2.09 1.55 -0.54 0.00 0.00 174.62 177.38 3itm h PRO 607 N 8.58 0.23 0.00 3.99 0.13 -1.94 -1.40 132.00 141.59 3itm h PRO 607 Ca -0.24 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3itm h PRO 607 Cb 1.08 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3itm h PRO 607 CO 0.91 0.15 0.03 0.54 -0.23 0.00 0.00 178.00 179.41 3itm n ARG 608 N -4.50 0.00 0.00 0.86 1.74 -1.26 -0.85 116.66 112.65 3itm n ARG 608 Ca 0.02 0.47 0.12 0.00 -0.77 0.00 0.00 57.85 57.70 3itm n ARG 608 Cb 0.16 -1.54 0.24 0.00 -1.02 0.00 0.00 32.46 30.30 3itm n ARG 608 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3itm n SER 609 N -1.49 1.67 -4.73 0.55 7.64 -0.53 -4.88 113.62 111.85 3itm n SER 609 Ca -0.00 -1.32 -0.41 0.00 1.01 0.00 0.00 58.87 58.14 3itm n SER 609 Cb 0.03 0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 3itm n SER 609 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3itm s LEU 610 N -2.36 4.46 0.42 -3.43 2.96 -0.03 -4.98 118.68 115.72 3itm s LEU 610 Ca 0.25 2.13 -0.26 0.00 -0.22 0.00 0.00 54.13 56.02 3itm s LEU 610 Cb 0.19 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 43.19 3itm s LEU 610 CO 0.48 -0.30 1.41 -2.65 -1.32 0.00 0.00 176.35 173.97 3itm n PRO 611 N 2.61 2.31 -0.32 0.98 -0.02 -1.26 -4.87 135.00 134.42 3itm n PRO 611 Ca 0.04 0.82 0.18 0.00 -2.02 0.00 0.00 63.50 62.52 3itm n PRO 611 Cb 0.46 -2.58 0.43 0.00 -0.02 0.00 0.00 33.50 31.79 3itm n PRO 611 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3itm h GLU 612 N 2.45 0.52 0.00 -0.52 4.81 -1.95 -1.03 114.58 118.86 3itm h GLU 612 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3itm h GLU 612 Cb 1.27 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3itm h GLU 612 CO 0.62 0.35 0.00 -0.44 -0.73 0.00 0.00 179.01 178.80 3itm h ASP 613 N 0.54 0.00 0.15 1.04 3.32 -2.04 -2.69 116.42 116.74 3itm h ASP 613 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 3itm h ASP 613 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3itm h ASP 613 CO -0.33 0.00 -0.54 0.47 -1.72 0.00 0.00 179.24 177.12 3itm n ASP 614 N -2.40 1.25 0.04 6.45 9.92 -0.39 -4.57 116.55 126.85 3itm n ASP 614 Ca 0.02 -1.00 -0.05 0.00 -0.53 0.00 0.00 54.79 53.23 3itm n ASP 614 Cb 0.25 0.46 0.15 0.00 -0.64 0.00 0.00 41.12 41.34 3itm n ASP 614 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 3itm h THR 615 N 1.11 1.32 0.02 -3.53 1.35 -1.48 -2.40 112.91 109.29 3itm h THR 615 Ca 0.00 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 3itm h THR 615 Cb 0.58 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 3itm h THR 615 CO 0.00 0.49 -0.04 0.28 -0.25 0.00 0.00 175.52 176.01 3itm h SER 616 N 0.33 -0.10 -0.17 5.36 0.02 -1.80 -1.05 113.55 116.14 3itm h SER 616 Ca 0.02 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3itm h SER 616 Cb 0.91 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 3itm h SER 616 CO 0.08 -0.06 -0.02 -0.03 -1.14 0.00 0.00 176.83 175.66 3itm h MET 617 N -0.07 0.43 -0.11 3.45 -1.53 -1.84 -2.78 114.93 112.49 3itm h MET 617 Ca 0.01 -0.09 -0.16 0.00 -3.44 0.00 0.00 59.70 56.02 3itm h MET 617 Cb 0.08 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.06 3itm h MET 617 CO -0.02 0.48 -0.61 0.00 0.14 0.00 0.00 176.91 176.89 3itm h ALA 618 N 1.57 0.74 -0.26 0.39 0.00 -0.90 0.20 119.26 121.01 3itm h ALA 618 Ca 0.09 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3itm h ALA 618 Cb 0.30 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3itm h ALA 618 CO 0.01 0.72 -0.17 0.82 0.00 0.00 0.00 179.25 180.63 3itm h ILE 619 N 0.28 0.52 -0.52 0.00 1.08 -0.95 -1.24 117.51 116.67 3itm h ILE 619 Ca -0.01 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.42 3itm h ILE 619 Cb 1.15 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 3itm h ILE 619 CO 0.10 0.00 0.15 -0.07 -0.69 0.00 0.00 178.15 177.64 3itm h LEU 620 N -0.15 0.71 -0.60 1.44 3.38 -1.14 -1.10 115.31 117.86 3itm h LEU 620 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3itm h LEU 620 Cb 0.37 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3itm h LEU 620 CO -0.35 0.69 0.33 0.28 0.09 0.00 0.00 178.44 179.48 3itm h SER 621 N 0.75 0.75 -0.33 -0.43 0.02 -0.73 -1.89 113.55 111.69 3itm h SER 621 Ca 0.17 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3itm h SER 621 Cb 0.24 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3itm h SER 621 CO -0.01 0.62 0.00 0.24 -1.14 0.00 0.00 176.83 176.55 3itm h MET 622 N 0.81 0.58 -0.32 3.45 2.86 -0.41 0.68 114.93 122.59 3itm h MET 622 Ca 0.21 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3itm h MET 622 Cb 0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3itm h MET 622 CO -0.03 0.71 -0.02 -0.07 1.06 0.00 0.00 176.91 178.55 3itm h LEU 623 N 0.39 0.47 -0.03 1.22 3.38 -1.18 -0.99 115.31 118.58 3itm h LEU 623 Ca 0.09 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3itm h LEU 623 Cb 0.44 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.08 3itm h LEU 623 CO 0.02 0.56 -0.58 -0.61 0.09 0.00 0.00 178.44 177.92 3itm h GLN 624 N 0.48 0.45 -0.03 1.13 4.15 -0.86 -1.10 115.11 119.33 3itm h GLN 624 Ca 0.10 -0.44 0.01 0.00 0.77 0.00 0.00 58.65 59.09 3itm h GLN 624 Cb 0.35 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 3itm h GLN 624 CO 0.01 1.09 0.02 0.22 -1.93 0.00 0.00 178.83 178.24 3itm h ASP 625 N -0.03 0.00 0.34 -0.69 1.82 -0.75 0.35 116.42 117.47 3itm h ASP 625 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 3itm h ASP 625 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 3itm h ASP 625 CO 0.12 0.00 0.00 0.23 -1.61 0.00 0.00 179.24 177.98 3itm n MET 626 N -4.36 0.65 -1.04 0.28 2.81 -0.39 -4.92 117.12 110.14 3itm n MET 626 Ca -0.02 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.85 3itm n MET 626 Cb 0.12 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.12 3itm n MET 626 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3itm n ASN 627 N -1.17 -3.68 0.08 7.83 3.02 0.12 -4.93 115.26 116.54 3itm n ASN 627 Ca 0.18 0.04 -0.10 0.00 -0.03 0.00 0.00 54.58 54.66 3itm n ASN 627 Cb 0.19 -1.30 -0.01 0.00 -0.61 0.00 0.00 39.78 38.04 3itm n ASN 627 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3itm h PHE 628 N 0.00 0.42 0.17 3.10 0.05 -1.41 -1.35 116.94 117.91 3itm h PHE 628 Ca -0.03 -0.22 -0.01 0.00 3.82 0.00 0.00 57.97 61.53 3itm h PHE 628 Cb 0.26 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.16 3itm h PHE 628 CO 0.15 1.02 -0.08 0.82 -0.18 0.00 0.00 178.31 180.04 3itm h ILE 629 N 0.16 0.91 0.34 -0.55 5.03 -1.86 -2.39 117.51 119.16 3itm h ILE 629 Ca -0.05 -0.33 -0.02 0.00 -0.12 0.00 0.00 64.86 64.34 3itm h ILE 629 Cb 1.49 1.11 0.00 0.00 -3.03 0.00 0.00 36.82 36.40 3itm h ILE 629 CO 0.14 0.08 -0.16 0.78 -0.68 0.00 0.00 178.15 178.30 3itm h ASN 630 N -0.38 -0.39 -0.34 1.72 2.35 -1.89 -0.50 115.58 116.14 3itm h ASN 630 Ca -0.02 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 3itm h ASN 630 Cb 0.30 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3itm h ASN 630 CO 0.04 -0.18 0.01 0.78 -1.65 0.00 0.00 177.43 176.43 3itm h ASN 631 N -0.59 0.67 -0.62 5.81 2.35 -1.27 -0.33 115.58 121.61 3itm h ASN 631 Ca -0.05 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 3itm h ASN 631 Cb 0.43 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3itm h ASN 631 CO 0.08 0.73 0.00 -1.22 -1.65 0.00 0.00 177.43 175.37 3itm n TYR 632 N -4.24 1.29 -4.15 1.19 4.02 -0.90 -4.97 117.16 109.40 3itm n TYR 632 Ca 0.02 -0.53 -0.29 0.00 -0.01 0.00 0.00 57.90 57.09 3itm n TYR 632 Cb 0.28 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.34 3itm n TYR 632 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3itm n LYS 633 N 1.12 -1.97 -2.40 -0.72 5.02 -0.13 -4.87 118.16 114.21 3itm n LYS 633 Ca 0.24 0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 56.33 3itm n LYS 633 Cb 0.78 -3.99 -0.03 0.00 -0.02 0.00 0.00 35.03 31.77 3itm n LYS 633 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3itm s ILE 634 N -4.19 4.05 0.22 -0.18 1.09 -0.44 -4.99 121.20 116.75 3itm s ILE 634 Ca 0.01 1.44 -0.32 0.00 -1.10 0.00 0.00 60.65 60.67 3itm s ILE 634 Cb -0.00 -3.92 -0.12 0.00 -1.06 0.00 0.00 42.46 37.35 3itm s ILE 634 CO 0.95 0.06 1.72 -0.67 -0.10 0.00 0.00 174.94 176.89 3itm n ASP 635 N 4.56 4.00 0.12 3.58 2.03 -1.26 -4.91 116.55 124.68 3itm n ASP 635 Ca 0.10 1.07 -0.23 0.00 0.52 0.00 0.00 54.79 56.25 3itm n ASP 635 Cb 0.46 -1.58 -0.15 0.00 -0.72 0.00 0.00 41.12 39.12 3itm n ASP 635 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3itm h PRO 637 N 0.13 0.80 -0.48 0.00 0.11 -1.92 -0.96 132.00 129.68 3itm h PRO 637 Ca -0.27 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 3itm h PRO 637 Cb 2.14 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 33.05 3itm h PRO 637 CO 0.25 0.53 0.01 1.15 -0.21 0.00 0.00 178.00 179.72 3itm h THR 638 N 0.82 1.26 -0.53 -1.15 2.02 -1.76 -1.42 112.91 112.14 3itm h THR 638 Ca 0.52 -1.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 3itm h THR 638 Cb 0.69 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3itm h THR 638 CO -0.33 0.37 0.08 0.25 0.37 0.00 0.00 175.52 176.25 3itm h LEU 639 N 0.70 0.81 0.54 2.58 5.85 -1.09 -0.94 115.31 123.75 3itm h LEU 639 Ca 0.14 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3itm h LEU 639 Cb 0.50 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.32 3itm h LEU 639 CO 0.02 0.83 -0.26 0.00 -0.34 0.00 0.00 178.44 178.69 3itm h ALA 640 N 1.27 -0.72 -0.60 1.25 0.00 -0.93 -1.15 119.26 118.38 3itm h ALA 640 Ca 0.17 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3itm h ALA 640 Cb 0.38 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3itm h ALA 640 CO 0.01 -0.90 0.26 0.00 0.00 0.00 0.00 179.25 178.63 3itm h ARG 641 N -0.74 0.47 -0.24 0.00 3.08 -1.06 -0.64 114.38 115.25 3itm h ARG 641 Ca -0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3itm h ARG 641 Cb 0.56 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3itm h ARG 641 CO 0.12 0.31 0.14 0.35 -1.07 0.00 0.00 179.97 179.82 3itm h PHE 642 N 0.48 0.33 -0.90 3.04 3.57 -1.10 -0.08 116.94 122.27 3itm h PHE 642 Ca 0.29 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 3itm h PHE 642 Cb 0.31 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 3itm h PHE 642 CO -0.14 0.27 0.49 0.00 -2.23 0.00 0.00 178.31 176.71 3itm h LEU 644 N 1.26 0.59 -0.36 0.00 4.07 -0.89 -2.85 115.31 117.13 3itm h LEU 644 Ca 0.32 -0.29 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 3itm h LEU 644 Cb 0.02 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 3itm h LEU 644 CO -0.05 0.97 0.11 -0.03 -1.08 0.00 0.00 178.44 178.36 3itm h MET 645 N 0.44 0.56 -0.06 1.13 4.05 -0.58 -1.58 114.93 118.89 3itm h MET 645 Ca 0.02 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.32 3itm h MET 645 Cb 0.99 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.71 3itm h MET 645 CO 0.09 0.58 0.03 0.28 0.23 0.00 0.00 176.91 178.12 3itm h VAL 646 N 0.43 1.12 -0.77 -5.77 2.07 -1.24 -2.15 116.25 109.94 3itm h VAL 646 Ca 0.12 -0.35 0.10 0.00 0.82 0.00 0.00 66.70 67.39 3itm h VAL 646 Cb 0.26 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 3itm h VAL 646 CO -0.00 0.10 0.40 0.50 0.02 0.00 0.00 177.57 178.58 3itm h LYS 647 N -0.05 0.63 0.00 1.57 3.64 -1.46 -1.31 116.57 119.59 3itm h LYS 647 Ca 0.02 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3itm h LYS 647 Cb 0.14 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3itm h LYS 647 CO -0.00 0.42 -0.32 -0.22 -2.27 0.00 0.00 179.45 177.05 3itm h LYS 648 N 0.65 0.00 0.00 1.90 3.64 -1.02 -2.85 116.57 118.89 3itm h LYS 648 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3itm h LYS 648 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3itm h LYS 648 CO -0.28 0.32 0.00 0.78 -2.27 0.00 0.00 179.45 178.00 3itm h GLY 649 N 1.40 0.00 -4.03 5.01 0.00 -0.57 -3.45 103.07 101.42 3itm h GLY 649 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 3itm h GLY 649 CO 0.04 0.00 0.55 -0.19 0.00 0.00 0.00 176.54 176.94 3itm s TYR 650 N -3.14 3.42 1.11 5.60 1.51 -1.08 -4.96 117.35 119.81 3itm s TYR 650 Ca 0.09 1.49 -0.18 0.00 -1.01 0.00 0.00 57.07 57.47 3itm s TYR 650 Cb 0.11 -3.42 0.26 0.00 -0.11 0.00 0.00 41.96 38.80 3itm s TYR 650 CO 0.58 -1.12 1.21 1.03 -1.11 0.00 0.00 175.55 176.14 3itm s ARG 651 N -0.75 -0.52 -0.41 -0.62 0.52 -1.26 -4.92 118.95 110.98 3itm s ARG 651 Ca 0.50 -0.26 0.09 0.00 -0.52 0.00 0.00 55.73 55.54 3itm s ARG 651 Cb -0.33 -1.70 0.42 0.00 0.52 0.00 0.00 34.95 33.86 3itm s ARG 651 CO 0.40 -3.21 1.04 -3.47 0.02 0.00 0.00 175.30 170.07 3itm n ASP 652 N -4.37 3.66 -4.72 0.23 2.03 -1.26 -4.32 116.55 107.80 3itm n ASP 652 Ca 0.15 -3.41 -0.30 0.00 0.52 0.00 0.00 54.79 51.74 3itm n ASP 652 Cb 0.59 -0.49 0.13 0.00 -0.72 0.00 0.00 41.12 40.64 3itm n ASP 652 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3itm s PRO 653 N -3.38 1.34 0.35 -0.67 0.04 -1.26 -4.93 135.00 126.49 3itm s PRO 653 Ca 0.42 0.87 0.14 0.00 0.04 0.00 0.00 61.00 62.47 3itm s PRO 653 Cb 0.41 -1.81 0.99 0.00 0.04 0.00 0.00 34.50 34.13 3itm s PRO 653 CO -0.12 -2.20 1.74 -1.35 0.04 0.00 0.00 177.00 175.11 3itm h PRO 654 N -1.52 0.47 0.00 0.56 0.11 -1.89 -3.40 132.00 126.33 3itm h PRO 654 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3itm h PRO 654 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3itm h PRO 654 CO 0.54 0.31 -0.13 0.98 -0.21 0.00 0.00 178.00 179.49 3itm n TYR 655 N -4.79 0.00 -0.74 0.65 9.36 -1.26 -4.85 117.16 115.53 3itm n TYR 655 Ca 0.27 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.26 3itm n TYR 655 Cb 0.83 -0.06 -0.02 0.00 -0.63 0.00 0.00 39.34 39.45 3itm n TYR 655 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3itm n HIS 656 N -3.52 1.35 -4.22 2.98 8.25 -1.26 -4.32 115.22 114.47 3itm n HIS 656 Ca -0.02 -1.87 -0.10 0.00 -0.26 0.00 0.00 57.72 55.47 3itm n HIS 656 Cb 0.07 -1.62 -0.02 0.00 1.12 0.00 0.00 29.99 29.54 3itm n HIS 656 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3itm n ASN 657 N 4.61 1.84 -0.11 0.41 0.23 -1.26 -4.62 115.26 116.36 3itm n ASN 657 Ca 0.43 -1.75 -0.06 0.00 -0.53 0.00 0.00 54.58 52.67 3itm n ASN 657 Cb 0.15 0.22 0.02 0.00 -2.08 0.00 0.00 39.78 38.09 3itm n ASN 657 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3itm h TRP 658 N 1.15 0.26 -0.66 -2.53 -0.00 -1.89 -1.88 115.95 110.40 3itm h TRP 658 Ca -0.13 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 58.81 3itm h TRP 658 Cb 0.42 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.16 29.49 3itm h TRP 658 CO 0.00 0.11 0.44 1.98 -0.00 0.00 0.00 178.44 180.97 3itm h MET 659 N 0.30 0.80 0.32 2.65 4.05 -1.97 1.20 114.93 122.29 3itm h MET 659 Ca 0.16 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 3itm h MET 659 Cb 0.12 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 3itm h MET 659 CO -0.15 0.53 -0.39 1.25 0.23 0.00 0.00 176.91 178.37 3itm h HIS 660 N 0.82 -1.08 -0.47 1.39 -0.00 -1.56 0.89 115.15 115.14 3itm h HIS 660 Ca 0.26 0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.72 3itm h HIS 660 Cb 0.02 0.43 -0.06 0.00 -0.00 0.00 0.00 27.41 27.80 3itm h HIS 660 CO -0.00 -0.53 0.11 0.00 -0.00 0.00 0.00 177.93 177.51 3itm h ALA 661 N -0.33 0.54 -0.83 5.26 0.00 -0.39 0.61 119.26 124.12 3itm h ALA 661 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3itm h ALA 661 Cb 0.70 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3itm h ALA 661 CO -0.11 -0.30 0.54 0.35 0.00 0.00 0.00 179.25 179.73 3itm h PHE 662 N 0.25 1.01 -0.01 0.00 3.57 0.16 -0.80 116.94 121.12 3itm h PHE 662 Ca 0.23 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 3itm h PHE 662 Cb 0.30 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3itm h PHE 662 CO -0.21 0.61 -0.56 0.66 -2.23 0.00 0.00 178.31 176.58 3itm h SER 663 N 1.07 0.03 -0.25 0.41 4.64 0.39 -0.96 113.55 118.88 3itm h SER 663 Ca 0.32 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.58 3itm h SER 663 Cb -0.05 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3itm h SER 663 CO -0.09 0.59 0.00 0.58 -0.87 0.00 0.00 176.83 177.04 3itm h VAL 664 N 0.02 1.25 -0.74 0.95 2.07 -0.34 -1.82 116.25 117.65 3itm h VAL 664 Ca -0.00 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 66.69 3itm h VAL 664 Cb 0.99 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 3itm h VAL 664 CO 0.07 0.28 0.42 0.28 0.02 0.00 0.00 177.57 178.65 3itm h SER 665 N 0.21 0.63 -0.67 0.57 0.02 -0.95 -1.98 113.55 111.39 3itm h SER 665 Ca 0.07 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 3itm h SER 665 Cb 0.40 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3itm h SER 665 CO 0.01 0.40 0.16 -0.74 -1.14 0.00 0.00 176.83 175.52 3itm h HIS 666 N 0.76 1.13 -0.42 3.45 6.17 -0.96 -1.86 115.15 123.43 3itm h HIS 666 Ca 0.33 -0.14 -0.03 0.00 0.71 0.00 0.00 60.37 61.24 3itm h HIS 666 Cb 0.22 -0.32 -0.02 0.00 2.52 0.00 0.00 27.41 29.81 3itm h HIS 666 CO -0.07 0.93 0.11 0.35 0.71 0.00 0.00 177.93 179.97 3itm h PHE 667 N 1.01 0.62 -0.16 5.26 3.57 -0.80 -0.69 116.94 125.74 3itm h PHE 667 Ca 0.21 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3itm h PHE 667 Cb 0.37 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3itm h PHE 667 CO 0.03 0.53 0.07 0.00 -2.23 0.00 0.00 178.31 176.70 3itm h TYR 669 N 0.15 1.06 -0.42 0.00 3.20 -0.76 -1.11 116.97 119.10 3itm h TYR 669 Ca 0.07 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3itm h TYR 669 Cb 0.03 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3itm h TYR 669 CO -0.10 0.59 0.02 -0.07 -1.64 0.00 0.00 178.16 176.96 3itm h LEU 670 N 1.09 0.63 -0.46 2.82 3.38 -0.45 -0.23 115.31 122.08 3itm h LEU 670 Ca 0.36 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 3itm h LEU 670 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3itm h LEU 670 CO -0.13 0.69 -0.22 -0.07 0.09 0.00 0.00 178.44 178.79 3itm h LEU 671 N 0.63 0.99 -0.12 1.67 3.38 -0.46 0.31 115.31 121.72 3itm h LEU 671 Ca 0.13 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3itm h LEU 671 Cb 0.37 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3itm h LEU 671 CO 0.01 1.18 -0.24 0.22 0.09 0.00 0.00 178.44 179.69 3itm h TYR 672 N 0.81 -0.66 -0.30 1.13 3.20 -0.51 -0.59 116.97 120.06 3itm h TYR 672 Ca 0.10 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 3itm h TYR 672 Cb 0.80 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 3itm h TYR 672 CO 0.05 -0.33 -0.11 0.87 -1.64 0.00 0.00 178.16 177.01 3itm h LYS 673 N -0.32 0.60 0.00 1.82 1.79 -0.87 -2.80 116.57 116.79 3itm h LYS 673 Ca 0.10 -0.25 -0.12 0.00 -2.18 0.00 0.00 60.65 58.20 3itm h LYS 673 Cb 0.46 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 3itm h LYS 673 CO -0.30 0.81 -1.70 0.09 -1.08 0.00 0.00 179.45 177.27 3itm n ASN 674 N -4.44 0.43 -0.70 0.86 3.02 0.08 -3.98 115.26 110.53 3itm n ASN 674 Ca -0.03 0.18 0.10 0.00 -0.03 0.00 0.00 54.58 54.80 3itm n ASN 674 Cb 0.35 0.94 0.06 0.00 -0.61 0.00 0.00 39.78 40.52 3itm n ASN 674 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3itm n LEU 675 N -2.63 2.44 -3.51 3.41 4.77 -0.23 -4.93 117.00 116.31 3itm n LEU 675 Ca -0.10 -0.94 -0.21 0.00 -0.03 0.00 0.00 56.01 54.73 3itm n LEU 675 Cb 0.76 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.86 3itm n LEU 675 CO 0.43 0.43 -0.11 -1.84 -1.33 0.00 0.00 177.39 174.98 3itm n GLU 676 N 0.81 -1.64 0.27 3.23 0.28 -1.06 -4.89 120.64 117.64 3itm n GLU 676 Ca 0.11 1.15 0.16 0.00 -0.16 0.00 0.00 57.16 58.41 3itm n GLU 676 Cb 0.47 -3.23 0.66 0.00 1.43 0.00 0.00 31.44 30.77 3itm n GLU 676 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3itm h LEU 677 N 0.52 0.00 -2.07 -1.84 3.38 -1.74 -2.91 115.31 110.64 3itm h LEU 677 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3itm h LEU 677 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3itm h LEU 677 CO 0.31 0.05 0.00 0.74 0.09 0.00 0.00 178.44 179.64 3itm h THR 678 N 0.00 0.00 -0.00 0.22 2.02 -1.86 0.42 112.91 113.71 3itm h THR 678 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3itm h THR 678 Cb 0.54 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3itm h THR 678 CO 0.01 0.00 -0.10 0.59 0.37 0.00 0.00 175.52 176.39 3itm n ASN 679 N -2.78 0.18 -0.00 4.18 3.02 -1.10 -4.35 115.26 114.41 3itm n ASN 679 Ca -0.01 0.01 -0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3itm n ASN 679 Cb 0.12 -0.25 -0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3itm n ASN 679 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3itm n TYR 680 N -1.33 0.00 -4.37 3.10 4.02 0.13 -5.01 117.16 113.69 3itm n TYR 680 Ca 0.10 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.80 3itm n TYR 680 Cb 0.30 -0.03 -0.10 0.00 -0.02 0.00 0.00 39.34 39.49 3itm n TYR 680 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3itm s LEU 681 N -4.71 2.37 0.68 7.72 1.43 -0.16 -4.86 118.68 121.15 3itm s LEU 681 Ca -0.01 -1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 51.80 3itm s LEU 681 Cb 0.00 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.76 3itm s LEU 681 CO 0.02 -0.40 1.07 -1.61 0.23 0.00 0.00 176.35 175.66 3itm s GLU 682 N -3.78 3.05 0.26 1.70 0.41 -1.26 -4.54 118.70 114.54 3itm s GLU 682 Ca 0.28 0.67 -0.02 0.00 -0.41 0.00 0.00 54.97 55.49 3itm s GLU 682 Cb 0.04 -2.02 0.33 0.00 -1.78 0.00 0.00 34.13 30.70 3itm s GLU 682 CO 0.09 -0.95 1.76 -0.44 -0.49 0.00 0.00 175.26 175.23 3itm h ASP 683 N -0.60 0.76 -0.94 -0.19 3.32 -1.97 -2.03 116.42 114.79 3itm h ASP 683 Ca -0.45 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.42 3itm h ASP 683 Cb 1.22 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.53 3itm h ASP 683 CO 0.61 0.83 0.60 -0.29 -1.72 0.00 0.00 179.24 179.27 3itm h ILE 684 N 0.74 1.25 -0.46 0.35 2.10 -1.99 -0.61 117.51 118.89 3itm h ILE 684 Ca 0.15 -0.48 -0.02 0.00 1.08 0.00 0.00 64.86 65.59 3itm h ILE 684 Cb 0.45 -0.11 -0.02 0.00 -1.09 0.00 0.00 36.82 36.04 3itm h ILE 684 CO 0.02 0.25 0.21 -0.33 -1.08 0.00 0.00 178.15 177.21 3itm h GLU 685 N 1.28 0.67 -0.02 2.19 5.08 -1.77 -0.49 114.58 121.52 3itm h GLU 685 Ca 0.34 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3itm h GLU 685 Cb -0.12 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3itm h GLU 685 CO -0.07 0.58 -0.00 0.82 -1.00 0.00 0.00 179.01 179.34 3itm h ILE 686 N 0.60 1.29 -0.74 3.13 2.04 -1.04 0.55 117.51 123.34 3itm h ILE 686 Ca 0.16 -0.88 0.16 0.00 1.00 0.00 0.00 64.86 65.30 3itm h ILE 686 Cb 0.14 1.84 -0.14 0.00 -0.74 0.00 0.00 36.82 37.93 3itm h ILE 686 CO -0.02 0.23 -0.14 0.15 0.00 0.00 0.00 178.15 178.38 3itm h PHE 687 N -0.32 -0.31 -0.22 1.37 -0.00 -1.06 -0.27 116.94 116.14 3itm h PHE 687 Ca 0.01 0.06 -0.08 0.00 -0.00 0.00 0.00 57.97 57.96 3itm h PHE 687 Cb 0.38 0.25 -0.01 0.00 -0.00 0.00 0.00 35.95 36.57 3itm h PHE 687 CO 0.05 -0.30 -0.22 0.00 -0.00 0.00 0.00 178.31 177.83 3itm h ALA 688 N 1.73 1.21 -0.20 2.41 0.00 -0.74 -0.99 119.26 122.69 3itm h ALA 688 Ca 0.37 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3itm h ALA 688 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3itm h ALA 688 CO -0.74 0.51 0.02 1.25 0.00 0.00 0.00 179.25 180.29 3itm h LEU 689 N 0.36 0.32 -0.47 0.00 5.85 0.60 -0.95 115.31 121.02 3itm h LEU 689 Ca 0.06 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3itm h LEU 689 Cb 0.59 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3itm h LEU 689 CO 0.04 0.52 0.28 0.15 -0.34 0.00 0.00 178.44 179.10 3itm h PHE 690 N 0.11 0.62 -0.46 1.25 3.57 -0.59 -1.00 116.94 120.43 3itm h PHE 690 Ca 0.06 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 3itm h PHE 690 Cb 0.35 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3itm h PHE 690 CO 0.03 0.43 -0.21 0.82 -2.23 0.00 0.00 178.31 177.15 3itm h ILE 691 N 0.63 1.27 -0.67 1.41 1.08 -1.17 -1.72 117.51 118.34 3itm h ILE 691 Ca 0.17 -1.36 0.08 0.00 -0.39 0.00 0.00 64.86 63.36 3itm h ILE 691 Cb -0.01 1.13 -0.07 0.00 -3.07 0.00 0.00 36.82 34.81 3itm h ILE 691 CO -0.03 0.47 0.33 0.28 -0.69 0.00 0.00 178.15 178.50 3itm h SER 692 N 0.81 0.43 -0.67 1.72 0.02 -0.87 -1.70 113.55 113.28 3itm h SER 692 Ca 0.11 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3itm h SER 692 Cb 0.77 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 3itm h SER 692 CO 0.06 0.26 0.44 0.00 -1.14 0.00 0.00 176.83 176.45 3itm h MET 694 N 0.89 0.85 0.00 0.00 2.07 -0.89 -3.18 114.93 114.67 3itm h MET 694 Ca 0.25 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 3itm h MET 694 Cb -0.07 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 29.47 3itm h MET 694 CO -0.07 0.56 -0.94 0.00 1.07 0.00 0.00 176.91 177.53 3itm h HIS 696 N 0.00 0.00 -0.53 0.00 2.07 -0.86 -2.70 115.15 113.13 3itm h HIS 696 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3itm h HIS 696 Cb 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 3itm h HIS 696 CO 0.00 0.11 0.00 -0.25 -3.07 0.00 0.00 177.93 174.72 3itm n ASP 697 N -3.32 3.86 -0.24 3.10 8.00 -1.26 -4.70 116.55 122.00 3itm n ASP 697 Ca -0.00 -2.26 0.20 0.00 0.71 0.00 0.00 54.79 53.44 3itm n ASP 697 Cb 0.32 -0.44 0.53 0.00 -0.02 0.00 0.00 41.12 41.51 3itm n ASP 697 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3itm h LEU 698 N 3.19 0.38 -3.60 0.64 3.38 -1.81 -1.44 115.31 116.04 3itm h LEU 698 Ca 0.00 0.04 -0.37 0.00 0.09 0.00 0.00 57.88 57.64 3itm h LEU 698 Cb 1.10 -0.03 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 3itm h LEU 698 CO 0.10 0.15 0.00 -0.67 0.09 0.00 0.00 178.44 178.11 3itm n ASP 699 N -4.50 3.93 -4.69 -0.43 2.03 -1.26 -4.72 116.55 106.91 3itm n ASP 699 Ca 0.19 -3.77 -0.42 0.00 0.52 0.00 0.00 54.79 51.31 3itm n ASP 699 Cb 0.72 -0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 3itm n ASP 699 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3itm s HIS 700 N -3.43 2.54 -0.18 -0.67 5.65 -0.55 -4.75 115.29 113.91 3itm s HIS 700 Ca 0.51 0.39 0.09 0.00 0.25 0.00 0.00 55.06 56.29 3itm s HIS 700 Cb 0.43 -3.95 -0.17 0.00 -1.18 0.00 0.00 32.58 27.71 3itm s HIS 700 CO 0.01 -3.74 -0.05 0.54 -0.65 0.00 0.00 174.74 170.85 3itm n ARG 701 N 5.31 0.99 -0.97 2.88 1.74 -1.26 -5.00 116.66 120.34 3itm n ARG 701 Ca 0.15 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3itm n ARG 701 Cb 0.40 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 3itm n ARG 701 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3itm n GLY 702 N 2.23 0.61 3.57 -0.13 0.00 -1.26 -4.97 105.19 105.25 3itm n GLY 702 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3itm n GLY 702 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3itm s THR 703 N -2.58 3.57 -0.39 2.61 2.01 -1.26 -4.97 115.64 114.63 3itm s THR 703 Ca 0.00 0.45 -0.10 0.00 0.31 0.00 0.00 61.69 62.35 3itm s THR 703 Cb 0.00 -4.13 0.05 0.00 0.01 0.00 0.00 72.50 68.43 3itm s THR 703 CO 0.00 -0.97 0.22 0.20 -0.69 0.00 0.00 174.62 173.39 3itm s ASN 704 N 6.06 5.66 -0.21 3.53 0.02 -1.26 -4.93 114.94 123.81 3itm s ASN 704 Ca 0.62 -1.25 0.18 0.00 -1.02 0.00 0.00 52.86 51.39 3itm s ASN 704 Cb -0.13 -1.99 0.47 0.00 0.02 0.00 0.00 41.25 39.62 3itm s ASN 704 CO 0.24 -0.45 1.15 -3.20 0.02 0.00 0.00 177.10 174.86 3itm n ASN 705 N 4.95 2.34 -4.07 -1.22 5.15 -1.26 -5.06 115.26 116.09 3itm n ASN 705 Ca -0.11 -2.65 -0.12 0.00 -0.60 0.00 0.00 54.58 51.09 3itm n ASN 705 Cb 0.44 -0.42 -0.11 0.00 -0.53 0.00 0.00 39.78 39.17 3itm n ASN 705 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3itm s SER 706 N -3.36 0.81 0.14 1.20 0.15 -1.26 -5.05 113.70 106.33 3itm s SER 706 Ca 0.36 -0.60 0.24 0.00 0.70 0.00 0.00 55.95 56.64 3itm s SER 706 Cb 0.36 0.05 0.21 0.00 -1.71 0.00 0.00 66.02 64.93 3itm s SER 706 CO -0.05 -0.25 1.21 -0.26 1.20 0.00 0.00 173.24 175.09 3itm h PHE 707 N 4.32 0.00 -0.80 3.44 0.05 -2.00 -3.42 116.94 118.54 3itm h PHE 707 Ca -0.35 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.44 3itm h PHE 707 Cb 1.20 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.11 3itm h PHE 707 CO 0.64 0.00 0.50 1.96 -0.18 0.00 0.00 178.31 181.23 3itm h GLN 708 N 0.00 1.08 0.20 1.51 4.20 -2.00 -1.64 115.11 118.45 3itm h GLN 708 Ca 0.00 -0.09 -0.28 0.00 0.06 0.00 0.00 58.65 58.34 3itm h GLN 708 Cb 0.82 -0.23 0.03 0.00 0.30 0.00 0.00 27.48 28.39 3itm h GLN 708 CO 0.00 0.75 -1.26 0.28 -0.67 0.00 0.00 178.83 177.93 3itm h VAL 709 N 1.09 1.32 -0.61 -0.54 2.07 -1.91 -3.37 116.25 114.30 3itm h VAL 709 Ca 0.29 -2.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 3itm h VAL 709 Cb -0.06 3.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 3itm h VAL 709 CO -0.06 0.77 0.34 0.00 0.02 0.00 0.00 177.57 178.65 3itm h ALA 710 N 0.11 1.45 -1.63 1.67 0.00 -1.64 0.19 119.26 119.40 3itm h ALA 710 Ca -0.23 -0.09 0.48 0.00 0.00 0.00 0.00 54.91 55.07 3itm h ALA 710 Cb 1.95 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 3itm h ALA 710 CO 0.21 0.46 1.17 0.77 0.00 0.00 0.00 179.25 181.86 3itm h SER 711 N 0.84 0.02 0.00 0.00 0.02 -1.47 -2.60 113.55 110.37 3itm h SER 711 Ca 0.22 0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.95 3itm h SER 711 Cb 0.01 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3itm h SER 711 CO -0.04 -0.01 -1.86 0.29 -1.14 0.00 0.00 176.83 174.07 3itm n LYS 712 N -4.07 1.27 -3.57 3.45 4.76 0.57 -4.99 118.16 115.58 3itm n LYS 712 Ca 0.37 0.04 -0.00 0.00 -2.87 0.00 0.00 58.31 55.84 3itm n LYS 712 Cb 1.68 -1.31 -0.04 0.00 -1.84 0.00 0.00 35.03 33.52 3itm n LYS 712 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3itm s SER 713 N -4.97 -1.18 0.21 4.39 0.15 -0.68 -4.83 113.70 106.79 3itm s SER 713 Ca -0.13 1.46 -0.06 0.00 0.70 0.00 0.00 55.95 57.92 3itm s SER 713 Cb 0.04 2.28 0.17 0.00 -1.71 0.00 0.00 66.02 66.81 3itm s SER 713 CO 0.44 -0.23 1.65 0.58 1.20 0.00 0.00 173.24 176.89 3itm h VAL 714 N 6.00 1.26 -0.15 4.45 2.07 -1.81 -2.80 116.25 125.27 3itm h VAL 714 Ca -0.19 -1.22 -0.17 0.00 0.82 0.00 0.00 66.70 65.95 3itm h VAL 714 Cb 1.11 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3itm h VAL 714 CO 0.13 0.42 -0.60 0.25 0.02 0.00 0.00 177.57 177.78 3itm h LEU 715 N 0.79 0.57 -1.08 2.57 5.85 -1.93 -2.75 115.31 119.33 3itm h LEU 715 Ca 0.13 -0.32 0.14 0.00 0.84 0.00 0.00 57.88 58.67 3itm h LEU 715 Cb 0.63 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 3itm h LEU 715 CO 0.04 1.04 0.62 0.00 -0.34 0.00 0.00 178.44 179.80 3itm h ALA 716 N 0.97 1.63 0.00 1.25 0.00 -1.85 -0.54 119.26 120.73 3itm h ALA 716 Ca -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3itm h ALA 716 Cb 1.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3itm h ALA 716 CO 0.11 0.10 -0.25 0.00 0.00 0.00 0.00 179.25 179.20 3itm h ALA 717 N 1.57 1.44 0.09 0.00 0.00 -1.23 0.19 119.26 121.31 3itm h ALA 717 Ca 0.50 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.93 3itm h ALA 717 Cb 0.63 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.40 3itm h ALA 717 CO -0.27 0.32 -1.02 -0.07 0.00 0.00 0.00 179.25 178.20 3itm h LEU 718 N 0.00 0.75 -0.71 0.00 3.38 -1.15 -3.30 115.31 114.28 3itm h LEU 718 Ca -0.00 -0.82 -0.08 0.00 0.09 0.00 0.00 57.88 57.07 3itm h LEU 718 Cb 0.49 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3itm h LEU 718 CO 0.03 1.49 0.11 1.88 0.09 0.00 0.00 178.44 182.04 3itm h TYR 719 N 0.11 1.16 -3.95 1.13 0.99 -0.42 -3.46 116.97 112.52 3itm h TYR 719 Ca -0.15 -0.16 -0.56 0.00 2.00 0.00 0.00 58.73 59.86 3itm h TYR 719 Cb 1.72 -0.32 0.15 0.00 1.00 0.00 0.00 36.73 39.29 3itm h TYR 719 CO 0.13 0.97 0.46 0.45 -0.00 0.00 0.00 178.16 180.18 3itm n SER 720 N -4.21 2.01 -4.48 3.88 2.88 0.59 -5.00 113.62 109.28 3itm n SER 720 Ca 0.04 0.88 -0.29 0.00 -1.33 0.00 0.00 58.87 58.17 3itm n SER 720 Cb 0.29 -1.53 0.16 0.00 -0.75 0.00 0.00 64.21 62.39 3itm n SER 720 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3itm s SER 721 N -1.19 3.05 0.26 -3.46 0.01 -1.26 -4.95 113.70 106.16 3itm s SER 721 Ca 0.77 0.74 0.10 0.00 1.31 0.00 0.00 55.95 58.87 3itm s SER 721 Cb -0.40 -1.13 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 3itm s SER 721 CO 0.45 -2.81 -0.16 -1.61 0.41 0.00 0.00 173.24 169.51 3itm s GLU 722 N -5.46 1.56 0.00 12.44 2.02 -1.26 -4.33 118.70 123.68 3itm s GLU 722 Ca 0.67 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.94 3itm s GLU 722 Cb -0.11 -1.49 0.00 0.00 0.10 0.00 0.00 34.13 32.63 3itm s GLU 722 CO 0.53 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.46 3itm n GLY 723 N -0.55 1.08 0.04 -1.39 0.00 -1.11 -4.79 105.19 98.48 3itm n GLY 723 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 3itm n GLY 723 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3itm n SER 724 N 0.00 0.61 -0.04 1.61 3.41 -1.26 -4.20 113.62 113.74 3itm n SER 724 Ca 0.00 -0.17 -0.05 0.00 -0.26 0.00 0.00 58.87 58.39 3itm n SER 724 Cb 0.00 0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 64.73 3itm n SER 724 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3itm n VAL 725 N -2.01 1.18 -4.03 -3.33 0.31 -1.26 -4.96 118.33 104.23 3itm n VAL 725 Ca 0.02 0.24 -0.36 0.00 -0.01 0.00 0.00 64.34 64.23 3itm n VAL 725 Cb 0.45 -2.01 -0.07 0.00 -0.91 0.00 0.00 33.84 31.29 3itm n VAL 725 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3itm s MET 726 N -2.37 3.39 0.21 5.55 1.00 -1.26 -5.07 119.30 120.75 3itm s MET 726 Ca -0.18 -0.24 -0.31 0.00 0.00 0.00 0.00 55.69 54.97 3itm s MET 726 Cb 0.02 -3.09 -0.10 0.00 0.00 0.00 0.00 34.83 31.66 3itm s MET 726 CO 0.26 0.69 1.56 -2.00 0.00 0.00 0.00 175.02 175.53 3itm s GLU 727 N -0.79 4.20 0.40 2.03 2.12 -1.26 -2.74 118.70 122.66 3itm s GLU 727 Ca 0.13 2.41 0.05 0.00 0.36 0.00 0.00 54.97 57.92 3itm s GLU 727 Cb -0.12 -3.12 -0.06 0.00 0.26 0.00 0.00 34.13 31.09 3itm s GLU 727 CO 0.03 -0.59 0.03 1.03 -0.54 0.00 0.00 175.26 175.22 3itm s ARG 728 N 0.57 1.90 -0.22 4.30 1.81 -1.26 -4.87 118.95 121.18 3itm s ARG 728 Ca 0.67 -2.09 0.12 0.00 -1.72 0.00 0.00 55.73 52.70 3itm s ARG 728 Cb -0.45 -1.34 0.44 0.00 -0.45 0.00 0.00 34.95 33.15 3itm s ARG 728 CO 0.36 -0.15 1.20 0.72 -0.68 0.00 0.00 175.30 176.75 3itm n HIS 729 N -0.92 0.86 0.02 -0.53 8.25 -1.26 -4.75 115.22 116.88 3itm n HIS 729 Ca -0.06 -1.65 -0.10 0.00 -0.26 0.00 0.00 57.72 55.64 3itm n HIS 729 Cb 0.67 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.46 3itm n HIS 729 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3itm h HIS 730 N 1.41 -0.14 0.23 4.41 3.86 -1.88 -1.43 115.15 121.61 3itm h HIS 730 Ca 0.08 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3itm h HIS 730 Cb 1.24 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.79 3itm h HIS 730 CO 0.73 -0.10 -0.11 0.35 0.86 0.00 0.00 177.93 179.66 3itm h PHE 731 N -0.07 -0.29 -0.46 2.45 3.57 -1.86 -1.61 116.94 118.67 3itm h PHE 731 Ca 0.05 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3itm h PHE 731 Cb 0.15 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3itm h PHE 731 CO -0.16 -0.14 0.30 0.00 -2.23 0.00 0.00 178.31 176.08 3itm h ALA 732 N 0.39 1.72 -0.19 2.41 0.00 -1.88 -0.88 119.26 120.83 3itm h ALA 732 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3itm h ALA 732 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3itm h ALA 732 CO 0.05 0.25 0.06 0.37 0.00 0.00 0.00 179.25 179.98 3itm h GLN 733 N 0.58 0.29 -0.58 0.00 5.75 -1.00 -1.09 115.11 119.06 3itm h GLN 733 Ca 0.17 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.66 3itm h GLN 733 Cb -0.01 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.45 3itm h GLN 733 CO -0.04 0.40 0.30 0.00 -2.65 0.00 0.00 178.83 176.84 3itm h ALA 734 N 0.87 0.76 -0.60 3.38 0.00 -0.20 -1.89 119.26 121.58 3itm h ALA 734 Ca 0.06 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3itm h ALA 734 Cb 0.23 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3itm h ALA 734 CO -0.00 -0.04 0.32 0.82 0.00 0.00 0.00 179.25 180.35 3itm h ILE 735 N 0.57 0.96 -0.50 0.00 1.08 -1.12 -0.51 117.51 117.99 3itm h ILE 735 Ca 0.26 -0.21 -0.05 0.00 -0.39 0.00 0.00 64.86 64.47 3itm h ILE 735 Cb 0.17 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 3itm h ILE 735 CO -0.18 0.11 0.11 0.00 -0.69 0.00 0.00 178.15 177.50 3itm h ALA 736 N 1.32 1.26 0.43 1.87 0.00 -0.45 0.35 119.26 124.04 3itm h ALA 736 Ca 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3itm h ALA 736 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3itm h ALA 736 CO -0.17 0.51 -0.27 0.82 0.00 0.00 0.00 179.25 180.14 3itm h ILE 737 N 0.73 0.44 -0.99 0.00 1.08 -0.99 -1.87 117.51 115.91 3itm h ILE 737 Ca 0.16 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.85 3itm h ILE 737 Cb 0.29 0.44 -0.09 0.00 -3.07 0.00 0.00 36.82 34.38 3itm h ILE 737 CO -0.00 0.00 0.62 -0.07 -0.69 0.00 0.00 178.15 178.01 3itm h LEU 738 N -0.67 0.60 -2.14 1.44 3.38 -0.05 0.35 115.31 118.22 3itm h LEU 738 Ca -0.05 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3itm h LEU 738 Cb 0.55 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3itm h LEU 738 CO 0.05 0.19 0.00 0.59 0.09 0.00 0.00 178.44 179.36 3itm n ASN 739 N -4.67 3.15 -4.73 -0.43 3.02 0.01 -2.98 115.26 108.62 3itm n ASN 739 Ca 0.23 -2.09 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 3itm n ASN 739 Cb 0.69 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 3itm n ASN 739 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3itm s THR 740 N -1.39 4.49 -0.12 3.41 2.01 0.12 -4.99 115.64 119.16 3itm s THR 740 Ca 0.37 2.06 -0.39 0.00 0.31 0.00 0.00 61.69 64.03 3itm s THR 740 Cb 0.21 -4.31 -0.17 0.00 0.01 0.00 0.00 72.50 68.23 3itm s THR 740 CO 0.23 0.31 1.50 1.57 -0.69 0.00 0.00 174.62 177.54 3itm n HIS 741 N 2.81 1.66 -0.95 4.92 -0.00 -1.26 -1.05 115.22 121.34 3itm n HIS 741 Ca 0.02 0.69 0.00 0.00 0.46 0.00 0.00 57.72 58.90 3itm n HIS 741 Cb 0.49 -2.35 0.00 0.00 -0.12 0.00 0.00 29.99 28.01 3itm n HIS 741 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3itm n GLY 742 N 3.21 0.49 0.00 1.57 0.00 -1.26 -4.91 105.19 104.29 3itm n GLY 742 Ca 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3itm n GLY 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itm s ASN 744 N -0.08 6.22 0.16 0.00 3.84 -1.16 -4.63 114.94 119.29 3itm s ASN 744 Ca 0.00 -1.69 0.18 0.00 0.21 0.00 0.00 52.86 51.56 3itm s ASN 744 Cb 0.00 -2.57 0.80 0.00 -0.55 0.00 0.00 41.25 38.93 3itm s ASN 744 CO 0.00 -1.79 1.57 2.30 -2.79 0.00 0.00 177.10 176.39 3itm n ILE 745 N 7.00 1.00 -0.58 -5.21 -5.35 -1.26 -1.88 119.36 113.08 3itm n ILE 745 Ca 0.41 0.31 0.08 0.00 -0.27 0.00 0.00 62.75 63.28 3itm n ILE 745 Cb 0.48 -1.19 0.26 0.00 -1.74 0.00 0.00 39.64 37.45 3itm n ILE 745 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3itm n PHE 746 N -1.93 0.98 -0.36 4.28 3.72 -1.26 -4.68 117.46 118.20 3itm n PHE 746 Ca 0.02 -0.65 0.27 0.00 -0.05 0.00 0.00 57.45 57.04 3itm n PHE 746 Cb 0.17 -0.19 0.53 0.00 -0.94 0.00 0.00 39.48 39.05 3itm n PHE 746 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3itm h ASP 747 N 2.72 0.43 0.32 4.37 3.58 -1.78 -2.16 116.42 123.90 3itm h ASP 747 Ca 0.00 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.60 3itm h ASP 747 Cb 1.20 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.36 3itm h ASP 747 CO 0.15 -0.10 -0.73 0.00 -2.88 0.00 0.00 179.24 175.67 3itm n HIS 748 N -4.86 0.03 -1.58 0.28 1.44 -1.26 -4.92 115.22 104.34 3itm n HIS 748 Ca 0.32 0.01 -0.38 0.00 -2.01 0.00 0.00 57.72 55.66 3itm n HIS 748 Cb 1.09 -0.18 0.05 0.00 0.12 0.00 0.00 29.99 31.06 3itm n HIS 748 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 3itm n PHE 749 N -1.55 0.52 -1.30 -1.40 0.99 -0.82 -4.97 117.46 108.93 3itm n PHE 749 Ca 0.05 0.45 -0.33 0.00 -0.00 0.00 0.00 57.45 57.61 3itm n PHE 749 Cb 0.34 -2.11 0.10 0.00 -1.00 0.00 0.00 39.48 36.82 3itm n PHE 749 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3itm s SER 750 N -1.19 4.07 0.23 4.37 1.04 -1.26 -4.75 113.70 116.22 3itm s SER 750 Ca 0.73 2.22 -0.14 0.00 0.48 0.00 0.00 55.95 59.24 3itm s SER 750 Cb -0.43 -2.57 0.28 0.00 0.10 0.00 0.00 66.02 63.40 3itm s SER 750 CO 0.49 -2.34 1.58 0.03 0.98 0.00 0.00 173.24 173.99 3itm h ARG 751 N -0.67 -0.04 -0.57 4.02 3.08 -1.98 0.16 114.38 118.38 3itm h ARG 751 Ca -0.46 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.62 3itm h ARG 751 Cb 1.28 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 3itm h ARG 751 CO 0.49 -0.02 0.34 0.87 -1.07 0.00 0.00 179.97 180.58 3itm h LYS 752 N -0.04 0.66 -0.00 0.04 6.56 -2.00 -1.51 116.57 120.28 3itm h LYS 752 Ca 0.35 -0.04 -0.17 0.00 -1.06 0.00 0.00 60.65 59.74 3itm h LYS 752 Cb 0.60 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.09 3itm h LYS 752 CO -0.85 0.44 -0.78 -0.44 -2.06 0.00 0.00 179.45 175.76 3itm h ASP 753 N 0.68 0.09 0.54 0.86 3.32 -1.70 -0.96 116.42 119.24 3itm h ASP 753 Ca 0.23 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3itm h ASP 753 Cb 0.03 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.56 3itm h ASP 753 CO -0.10 0.82 -0.26 0.22 -1.72 0.00 0.00 179.24 178.20 3itm h TYR 754 N 0.04 -0.67 -0.47 4.55 3.20 -0.30 0.36 116.97 123.67 3itm h TYR 754 Ca -0.02 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.90 3itm h TYR 754 Cb 1.36 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.80 3itm h TYR 754 CO 0.01 -0.39 0.17 0.37 -1.64 0.00 0.00 178.16 176.68 3itm h GLN 755 N -0.78 0.34 -0.64 1.82 5.75 -1.29 -0.43 115.11 119.87 3itm h GLN 755 Ca -0.07 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.51 3itm h GLN 755 Cb 0.58 -0.08 -0.08 0.00 1.07 0.00 0.00 27.48 28.98 3itm h GLN 755 CO 0.12 0.22 0.24 -0.09 -2.65 0.00 0.00 178.83 176.68 3itm h ARG 756 N 0.35 0.41 -0.40 1.69 9.65 -1.08 0.18 114.38 125.18 3itm h ARG 756 Ca 0.22 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.93 3itm h ARG 756 Cb 0.22 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3itm h ARG 756 CO -0.22 0.27 -0.33 1.98 2.80 0.00 0.00 179.97 184.47 3itm h MET 757 N 0.42 0.91 -0.25 0.20 4.05 -0.01 -0.02 114.93 120.23 3itm h MET 757 Ca 0.33 -0.45 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 3itm h MET 757 Cb 0.43 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 3itm h MET 757 CO -0.33 1.10 0.04 -0.07 0.23 0.00 0.00 176.91 177.88 3itm h LEU 758 N 0.76 0.41 -0.87 3.39 4.07 -0.54 -1.99 115.31 120.54 3itm h LEU 758 Ca 0.08 -0.26 0.13 0.00 0.08 0.00 0.00 57.88 57.90 3itm h LEU 758 Cb 0.91 -0.11 -0.09 0.00 1.08 0.00 0.00 40.66 42.45 3itm h LEU 758 CO 0.08 0.57 0.48 0.44 -1.08 0.00 0.00 178.44 178.93 3itm h ASP 759 N 0.23 0.63 -0.29 -0.43 5.19 -0.38 -0.63 116.42 120.73 3itm h ASP 759 Ca 0.08 0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.49 3itm h ASP 759 Cb 0.34 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3itm h ASP 759 CO 0.01 0.30 -0.09 -0.07 -3.12 0.00 0.00 179.24 176.27 3itm h LEU 760 N 0.72 0.59 0.40 1.55 3.38 -0.82 -1.95 115.31 119.17 3itm h LEU 760 Ca 0.45 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3itm h LEU 760 Cb 0.56 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3itm h LEU 760 CO -0.32 0.83 -0.20 0.24 0.09 0.00 0.00 178.44 179.08 3itm h MET 761 N 0.34 -0.53 -0.55 1.13 2.86 -0.71 0.19 114.93 117.67 3itm h MET 761 Ca 0.07 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 3itm h MET 761 Cb 0.58 0.12 -0.11 0.00 0.06 0.00 0.00 31.60 32.25 3itm h MET 761 CO 0.03 -0.35 -0.21 -0.09 1.06 0.00 0.00 176.91 177.35 3itm h ARG 762 N -0.55 -0.07 -0.13 1.72 2.43 -1.09 0.15 114.38 116.83 3itm h ARG 762 Ca -0.05 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 3itm h ARG 762 Cb 0.43 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3itm h ARG 762 CO 0.08 -0.05 -0.74 -0.44 -1.51 0.00 0.00 179.97 177.31 3itm h ASP 763 N -0.08 0.76 -0.26 -3.80 3.32 -1.11 -2.14 116.42 113.11 3itm h ASP 763 Ca 0.26 -0.49 -0.13 0.00 0.02 0.00 0.00 57.03 56.68 3itm h ASP 763 Cb 0.48 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3itm h ASP 763 CO -0.61 1.27 -0.36 0.40 -1.72 0.00 0.00 179.24 178.22 3itm h ILE 764 N 0.45 1.31 0.19 0.35 2.04 -0.14 -1.64 117.51 120.06 3itm h ILE 764 Ca -0.04 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.27 3itm h ILE 764 Cb 1.35 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 3itm h ILE 764 CO 0.14 0.49 -0.17 0.40 0.00 0.00 0.00 178.15 179.02 3itm h ILE 765 N 0.44 0.62 -0.78 -0.67 2.04 -0.69 -2.46 117.51 116.01 3itm h ILE 765 Ca 0.03 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.07 3itm h ILE 765 Cb 0.95 0.62 -0.14 0.00 -0.74 0.00 0.00 36.82 37.52 3itm h ILE 765 CO 0.08 0.00 -0.01 -0.07 0.00 0.00 0.00 178.15 178.15 3itm h LEU 766 N -0.39 -0.39 -1.35 1.44 3.38 -1.37 -0.71 115.31 115.93 3itm h LEU 766 Ca -0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3itm h LEU 766 Cb 0.36 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3itm h LEU 766 CO -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.30 3itm n ALA 767 N -2.99 1.12 -0.11 1.53 0.00 -0.62 -2.85 120.51 116.60 3itm n ALA 767 Ca 0.14 0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.66 3itm n ALA 767 Cb 0.49 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3itm n ALA 767 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3itm h THR 768 N 0.00 1.24 -1.52 0.00 2.02 -0.98 -3.40 112.91 110.28 3itm h THR 768 Ca 0.00 -0.83 -0.74 0.00 0.77 0.00 0.00 66.41 65.60 3itm h THR 768 Cb 0.05 1.17 0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3itm h THR 768 CO 0.00 0.27 0.84 -0.67 0.37 0.00 0.00 175.52 176.33 3itm n ASP 769 N -4.60 2.22 0.22 4.18 4.64 -1.13 -4.47 116.55 117.60 3itm n ASP 769 Ca -0.02 1.09 0.15 0.00 -1.38 0.00 0.00 54.79 54.63 3itm n ASP 769 Cb 0.22 -1.13 0.67 0.00 -1.04 0.00 0.00 41.12 39.84 3itm n ASP 769 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3itm h LEU 770 N 6.78 0.00 -1.09 -2.67 4.07 -1.83 0.15 115.31 120.71 3itm h LEU 770 Ca -0.46 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.45 3itm h LEU 770 Cb 1.32 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.04 3itm h LEU 770 CO 0.94 0.00 0.09 0.00 -1.08 0.00 0.00 178.44 178.39 3itm h ALA 771 N 2.10 1.26 -0.29 1.53 0.00 -1.89 -0.75 119.26 121.22 3itm h ALA 771 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3itm h ALA 771 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3itm h ALA 771 CO 0.00 0.51 -0.02 1.25 0.00 0.00 0.00 179.25 180.99 3itm h HIS 772 N 0.70 0.58 -0.27 0.00 -0.00 -1.02 -2.53 115.15 112.61 3itm h HIS 772 Ca 0.15 -0.11 0.06 0.00 -0.00 0.00 0.00 60.37 60.47 3itm h HIS 772 Cb 0.31 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.51 3itm h HIS 772 CO 0.02 0.69 -0.10 1.25 -0.00 0.00 0.00 177.93 179.79 3itm h HIS 773 N 0.31 -0.22 0.00 5.26 6.17 -1.17 -1.42 115.15 124.07 3itm h HIS 773 Ca 0.08 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.14 3itm h HIS 773 Cb 0.47 0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.54 3itm h HIS 773 CO 0.04 -0.16 -0.21 -0.07 0.71 0.00 0.00 177.93 178.25 3itm h LEU 774 N -0.05 0.00 -0.41 0.26 3.38 -1.10 0.11 115.31 117.51 3itm h LEU 774 Ca 0.14 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 3itm h LEU 774 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3itm h LEU 774 CO -0.31 0.21 -0.77 -0.09 0.09 0.00 0.00 178.44 177.58 3itm h ARG 775 N 0.00 0.27 -0.09 1.13 2.43 -0.88 -3.15 114.38 114.08 3itm h ARG 775 Ca -0.00 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3itm h ARG 775 Cb 0.41 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3itm h ARG 775 CO 0.03 0.91 0.00 0.44 -1.51 0.00 0.00 179.97 179.84 3itm n ILE 776 N -3.77 0.09 -0.15 1.20 -5.35 -0.62 -4.65 119.36 106.11 3itm n ILE 776 Ca -0.04 -0.49 -0.04 0.00 -0.27 0.00 0.00 62.75 61.92 3itm n ILE 776 Cb 0.73 1.19 0.03 0.00 -1.74 0.00 0.00 39.64 39.85 3itm n ILE 776 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3itm h PHE 777 N 4.14 -0.22 -0.30 4.28 3.57 -0.77 -0.89 116.94 126.75 3itm h PHE 777 Ca 0.00 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3itm h PHE 777 Cb 0.89 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 3itm h PHE 777 CO 0.04 -0.19 -0.10 0.87 -2.23 0.00 0.00 178.31 176.70 3itm h LYS 778 N 0.01 0.49 -0.82 1.11 1.57 -1.82 0.16 116.57 117.26 3itm h LYS 778 Ca 0.22 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3itm h LYS 778 Cb 0.34 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 3itm h LYS 778 CO -0.47 0.60 0.40 -0.44 -0.57 0.00 0.00 179.45 178.97 3itm h ASP 779 N 0.46 1.07 -0.04 0.86 3.32 -1.55 -0.42 116.42 120.12 3itm h ASP 779 Ca 0.09 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3itm h ASP 779 Cb 0.46 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3itm h ASP 779 CO 0.03 0.90 0.02 -0.07 -1.72 0.00 0.00 179.24 178.40 3itm h LEU 780 N 1.17 0.05 -0.74 1.55 3.38 -0.06 -0.91 115.31 119.75 3itm h LEU 780 Ca 0.28 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.26 3itm h LEU 780 Cb 0.11 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3itm h LEU 780 CO -0.04 0.08 0.44 1.56 0.09 0.00 0.00 178.44 180.57 3itm h GLN 781 N 0.01 0.78 -0.41 1.13 4.20 -0.64 -1.58 115.11 118.59 3itm h GLN 781 Ca 0.01 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.70 3itm h GLN 781 Cb 0.04 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3itm h GLN 781 CO -0.00 0.52 0.24 0.87 -0.67 0.00 0.00 178.83 179.79 3itm h LYS 782 N 0.81 0.47 -0.93 1.46 6.56 -0.86 -1.47 116.57 122.61 3itm h LYS 782 Ca 0.32 -0.03 0.01 0.00 -1.06 0.00 0.00 60.65 59.89 3itm h LYS 782 Cb 0.16 -0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 31.67 3itm h LYS 782 CO -0.17 0.31 0.61 1.98 -2.06 0.00 0.00 179.45 180.12 3itm h MET 783 N 0.49 1.22 0.00 3.15 4.05 -0.51 -1.49 114.93 121.84 3itm h MET 783 Ca 0.16 -0.08 -0.13 0.00 -0.28 0.00 0.00 59.70 59.38 3itm h MET 783 Cb 0.01 -0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 30.52 3itm h MET 783 CO -0.08 0.81 -0.62 0.00 0.23 0.00 0.00 176.91 177.25 3itm h ALA 784 N 1.42 0.86 0.06 0.39 0.00 -1.09 -1.57 119.26 119.31 3itm h ALA 784 Ca 0.34 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3itm h ALA 784 Cb -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3itm h ALA 784 CO -0.07 0.78 -0.03 1.49 0.00 0.00 0.00 179.25 181.42 3itm h GLU 785 N 0.00 -0.07 0.00 0.00 4.81 -0.90 -3.29 114.58 115.12 3itm h GLU 785 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3itm h GLU 785 Cb 1.19 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3itm h GLU 785 CO 0.08 0.38 0.00 -0.39 -0.73 0.00 0.00 179.01 178.36 3itm h VAL 786 N -0.56 0.00 0.00 0.32 -1.51 -1.31 -3.49 116.25 109.70 3itm h VAL 786 Ca -0.01 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 3itm h VAL 786 Cb 0.49 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 3itm h VAL 786 CO 0.01 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 3itm n GLY 787 N 1.09 2.16 3.65 5.19 0.00 -0.59 -5.01 105.19 111.68 3itm n GLY 787 Ca 0.04 -1.43 -0.44 0.00 0.00 0.00 0.00 46.02 44.19 3itm n GLY 787 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3itm n TYR 788 N 2.29 1.87 -3.90 1.61 9.36 -1.24 -4.89 117.16 122.26 3itm n TYR 788 Ca 0.00 0.57 -0.29 0.00 3.32 0.00 0.00 57.90 61.50 3itm n TYR 788 Cb 0.00 -2.37 -0.16 0.00 -0.63 0.00 0.00 39.34 36.18 3itm n TYR 788 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3itm s ASP 789 N -0.16 3.01 0.00 2.98 2.15 -1.26 -4.98 116.67 118.41 3itm s ASP 789 Ca 0.62 -0.75 0.16 0.00 0.43 0.00 0.00 52.55 53.01 3itm s ASP 789 Cb -0.66 -0.96 0.79 0.00 -0.30 0.00 0.00 42.92 41.79 3itm s ASP 789 CO 0.57 -0.19 1.47 -1.14 -0.17 0.00 0.00 175.17 175.70 3itm n ARG 790 N 4.84 0.19 0.09 4.34 0.63 -1.26 -2.33 116.66 123.16 3itm n ARG 790 Ca -0.12 0.15 0.09 0.00 -0.92 0.00 0.00 57.85 57.04 3itm n ARG 790 Cb 0.47 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 31.86 3itm n ARG 790 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3itm h ASN 791 N 0.00 0.00 -3.62 6.15 2.35 -1.96 -3.45 115.58 115.05 3itm h ASN 791 Ca 0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 3itm h ASN 791 Cb 0.17 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.40 3itm h ASN 791 CO 0.00 0.14 0.30 0.21 -1.65 0.00 0.00 177.43 176.44 3itm s ASN 792 N -5.49 6.39 0.32 5.81 3.84 -0.98 -4.93 114.94 119.90 3itm s ASN 792 Ca -0.01 -0.16 0.08 0.00 0.21 0.00 0.00 52.86 52.98 3itm s ASN 792 Cb 0.09 -2.37 0.81 0.00 -0.55 0.00 0.00 41.25 39.23 3itm s ASN 792 CO 0.79 -0.88 1.77 0.11 -2.79 0.00 0.00 177.10 176.10 3itm h LYS 793 N 8.95 0.67 -0.29 0.43 1.79 -1.87 -1.57 116.57 124.67 3itm h LYS 793 Ca -0.25 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.16 3itm h LYS 793 Cb 1.09 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 3itm h LYS 793 CO 0.94 0.44 0.11 0.37 -1.08 0.00 0.00 179.45 180.23 3itm h GLN 794 N 0.69 0.44 -0.87 3.15 5.75 -1.93 -2.01 115.11 120.33 3itm h GLN 794 Ca 0.59 -0.08 0.13 0.00 -0.15 0.00 0.00 58.65 59.13 3itm h GLN 794 Cb 1.02 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 29.41 3itm h GLN 794 CO -0.38 0.47 0.48 0.45 -2.65 0.00 0.00 178.83 177.20 3itm h HIS 795 N 0.32 0.86 -0.01 3.99 3.86 -1.58 0.42 115.15 123.01 3itm h HIS 795 Ca 0.10 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 3itm h HIS 795 Cb 0.20 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 3itm h HIS 795 CO -0.00 0.27 -0.35 0.45 0.86 0.00 0.00 177.93 179.15 3itm h HIS 796 N 0.73 -0.98 -0.08 2.45 3.86 -0.84 0.18 115.15 120.46 3itm h HIS 796 Ca 0.45 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.73 3itm h HIS 796 Cb 0.56 0.43 -0.04 0.00 1.06 0.00 0.00 27.41 29.42 3itm h HIS 796 CO -0.07 -0.44 -0.16 0.00 0.86 0.00 0.00 177.93 178.13 3itm h ARG 797 N -0.51 -0.21 -0.14 2.45 2.47 -0.73 -1.01 114.38 116.70 3itm h ARG 797 Ca 0.06 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.81 3itm h ARG 797 Cb 0.59 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 3itm h ARG 797 CO -0.29 -0.14 0.02 -0.07 0.56 0.00 0.00 179.97 180.06 3itm h LEU 798 N -0.22 -0.00 -0.82 3.04 3.38 -0.71 -2.45 115.31 117.53 3itm h LEU 798 Ca 0.08 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.19 3itm h LEU 798 Cb 0.33 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 3itm h LEU 798 CO -0.21 0.02 0.44 0.25 0.09 0.00 0.00 178.44 179.03 3itm h LEU 799 N 0.08 0.58 -1.09 1.67 5.85 -0.34 -0.93 115.31 121.12 3itm h LEU 799 Ca 0.06 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3itm h LEU 799 Cb 0.06 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3itm h LEU 799 CO -0.09 0.30 0.33 -0.07 -0.34 0.00 0.00 178.44 178.57 3itm h LEU 800 N 0.69 0.88 -0.05 2.25 3.38 -0.72 0.56 115.31 122.30 3itm h LEU 800 Ca 0.42 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3itm h LEU 800 Cb 0.48 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3itm h LEU 800 CO -0.30 0.74 -0.04 0.00 0.09 0.00 0.00 178.44 178.94 3itm h LEU 802 N -0.33 0.61 -0.38 0.00 5.85 -0.91 0.45 115.31 120.59 3itm h LEU 802 Ca 0.01 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 3itm h LEU 802 Cb 0.51 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3itm h LEU 802 CO 0.01 0.32 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.28 3itm h LEU 803 N 0.72 0.73 0.25 2.25 3.38 -0.74 0.45 115.31 122.35 3itm h LEU 803 Ca 0.42 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3itm h LEU 803 Cb 0.46 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3itm h LEU 803 CO -0.29 0.92 -0.25 -0.03 0.09 0.00 0.00 178.44 178.88 3itm h MET 804 N 0.53 -0.51 -0.79 1.13 4.05 0.18 -1.59 114.93 117.94 3itm h MET 804 Ca 0.10 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 3itm h MET 804 Cb 0.59 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.47 3itm h MET 804 CO 0.04 -0.34 0.40 1.79 0.23 0.00 0.00 176.91 179.02 3itm h THR 805 N -0.53 1.24 -0.95 -0.77 1.35 -0.79 0.67 112.91 113.13 3itm h THR 805 Ca -0.01 -0.65 0.22 0.00 -0.55 0.00 0.00 66.41 65.42 3itm h THR 805 Cb 0.49 0.21 -0.08 0.00 -1.73 0.00 0.00 68.15 67.04 3itm h THR 805 CO -0.05 0.28 0.62 0.28 -0.25 0.00 0.00 175.52 176.40 3itm h SER 806 N 1.12 0.45 0.01 5.36 0.02 -0.44 -2.20 113.55 117.86 3itm h SER 806 Ca 0.28 0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 61.13 3itm h SER 806 Cb 0.08 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.60 3itm h SER 806 CO -0.04 0.16 -0.60 0.00 -1.14 0.00 0.00 176.83 175.21 3itm h ASP 808 N -0.13 1.11 -0.57 0.00 3.58 -0.74 -1.49 116.42 118.19 3itm h ASP 808 Ca -0.08 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.35 3itm h ASP 808 Cb 1.32 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.11 3itm h ASP 808 CO 0.12 0.78 0.00 0.18 -2.88 0.00 0.00 179.24 177.44 3itm n LEU 809 N -4.42 3.31 0.31 2.28 4.77 -1.04 -4.42 117.00 117.80 3itm n LEU 809 Ca 0.13 -1.66 0.20 0.00 -0.03 0.00 0.00 56.01 54.64 3itm n LEU 809 Cb 0.06 -0.42 1.04 0.00 -2.33 0.00 0.00 43.42 41.77 3itm n LEU 809 CO 0.36 0.75 1.16 0.77 -1.33 0.00 0.00 177.39 179.10 3itm h SER 810 N 3.37 0.00 -0.88 -1.43 4.64 -1.03 0.06 113.55 118.28 3itm h SER 810 Ca 0.00 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.57 3itm h SER 810 Cb 0.89 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.94 3itm h SER 810 CO 0.05 0.00 0.63 0.44 -0.87 0.00 0.00 176.83 177.08 3itm h ASP 811 N 0.00 0.03 0.07 4.97 3.32 -1.81 0.21 116.42 123.21 3itm h ASP 811 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3itm h ASP 811 Cb 0.24 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3itm h ASP 811 CO -0.00 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3itm n GLN 812 N -4.29 0.76 -0.17 3.56 1.13 0.01 -2.74 117.38 115.63 3itm n GLN 812 Ca 0.18 0.01 0.10 0.00 -1.94 0.00 0.00 57.00 55.35 3itm n GLN 812 Cb 0.93 -1.50 0.19 0.00 0.11 0.00 0.00 30.24 29.97 3itm n GLN 812 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3itm n THR 813 N -1.04 0.53 -2.04 5.09 -2.24 0.72 -4.03 114.28 111.27 3itm n THR 813 Ca 0.19 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3itm n THR 813 Cb 0.11 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3itm n THR 813 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3itm n LYS 814 N 1.28 1.60 -0.84 -0.78 4.76 -1.11 -4.83 118.16 118.23 3itm n LYS 814 Ca 0.17 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.31 3itm n LYS 814 Cb 0.55 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.92 3itm n LYS 814 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3itm s GLY 815 N -1.65 1.62 0.23 0.72 0.00 -1.26 -4.88 107.32 102.09 3itm s GLY 815 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 44.72 44.78 3itm s GLY 815 CO 0.00 0.66 1.78 -0.25 0.00 0.00 0.00 173.10 175.29 3itm h TRP 816 N -1.98 1.12 -0.08 1.90 7.01 -1.97 -1.75 115.95 120.21 3itm h TRP 816 Ca -0.51 -0.10 0.02 0.00 2.11 0.00 0.00 58.89 60.41 3itm h TRP 816 Cb 1.29 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 28.02 3itm h TRP 816 CO 0.40 0.88 0.12 -0.22 -2.79 0.00 0.00 178.44 176.84 3itm h LYS 817 N 1.05 0.00 -0.02 2.65 3.64 -1.99 -1.34 116.57 120.57 3itm h LYS 817 Ca 0.23 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3itm h LYS 817 Cb 0.28 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3itm h LYS 817 CO -0.01 0.00 -0.28 1.15 -2.27 0.00 0.00 179.45 178.04 3itm h THR 818 N 0.00 1.51 -0.46 1.00 2.02 -1.66 -0.36 112.91 114.95 3itm h THR 818 Ca 0.04 -1.88 -0.03 0.00 0.77 0.00 0.00 66.41 65.31 3itm h THR 818 Cb 0.28 2.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 3itm h THR 818 CO -0.00 0.52 0.15 0.71 0.37 0.00 0.00 175.52 177.27 3itm h THR 819 N -0.40 1.18 0.20 3.16 1.35 -1.18 0.41 112.91 117.63 3itm h THR 819 Ca -0.03 -0.61 -0.01 0.00 -0.55 0.00 0.00 66.41 65.21 3itm h THR 819 Cb 1.00 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3itm h THR 819 CO 0.06 0.23 -0.09 -0.09 -0.25 0.00 0.00 175.52 175.37 3itm h ARG 820 N 0.66 -0.26 -0.71 4.72 1.12 -1.25 -1.47 114.38 117.20 3itm h ARG 820 Ca 0.16 0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.08 3itm h ARG 820 Cb 0.18 0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 30.15 3itm h ARG 820 CO -0.01 -0.02 0.43 -0.22 -3.11 0.00 0.00 179.97 177.04 3itm h LYS 821 N -0.46 0.80 -0.46 0.20 1.63 -0.69 -1.65 116.57 115.94 3itm h LYS 821 Ca -0.03 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.62 3itm h LYS 821 Cb 0.35 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 3itm h LYS 821 CO 0.04 0.53 -0.13 0.82 -3.45 0.00 0.00 179.45 177.27 3itm h ILE 822 N 0.83 1.26 -0.45 2.00 5.03 -0.88 -0.33 117.51 124.97 3itm h ILE 822 Ca 0.29 -1.22 0.04 0.00 -0.12 0.00 0.00 64.86 63.85 3itm h ILE 822 Cb 0.07 1.04 -0.04 0.00 -3.03 0.00 0.00 36.82 34.87 3itm h ILE 822 CO -0.13 0.42 0.23 0.00 -0.68 0.00 0.00 178.15 177.99 3itm h ALA 823 N 1.10 0.57 -0.23 1.87 0.00 -0.94 0.34 119.26 121.97 3itm h ALA 823 Ca 0.12 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3itm h ALA 823 Cb 0.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3itm h ALA 823 CO 0.04 -0.12 0.10 0.93 0.00 0.00 0.00 179.25 180.20 3itm h GLU 824 N 0.46 0.21 -0.53 0.00 5.08 -0.70 -2.55 114.58 116.54 3itm h GLU 824 Ca 0.19 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.65 3itm h GLU 824 Cb 0.10 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 3itm h GLU 824 CO -0.13 0.14 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.86 3itm h LEU 825 N 0.22 -0.40 -0.95 1.33 3.38 -0.62 0.56 115.31 118.82 3itm h LEU 825 Ca 0.09 0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 3itm h LEU 825 Cb 0.04 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3itm h LEU 825 CO -0.08 -0.15 -0.08 -0.29 0.09 0.00 0.00 178.44 177.94 3itm h ILE 826 N 0.04 1.24 -0.01 1.22 6.09 -0.77 0.71 117.51 126.03 3itm h ILE 826 Ca 0.26 -1.06 -0.00 0.00 -1.37 0.00 0.00 64.86 62.69 3itm h ILE 826 Cb 0.40 1.03 -0.00 0.00 0.47 0.00 0.00 36.82 38.72 3itm h ILE 826 CO -0.51 0.36 0.00 1.88 -3.07 0.00 0.00 178.15 176.81 3itm h TYR 827 N 0.62 0.02 -0.62 2.19 -1.99 -1.00 0.15 116.97 116.33 3itm h TYR 827 Ca 0.11 -0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.96 3itm h TYR 827 Cb 0.51 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.19 3itm h TYR 827 CO 0.02 0.17 0.42 -0.22 -0.00 0.00 0.00 178.16 178.55 3itm h LYS 828 N -0.14 0.35 0.06 4.88 3.64 -0.53 -0.69 116.57 124.15 3itm h LYS 828 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3itm h LYS 828 Cb 0.16 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3itm h LYS 828 CO -0.00 0.23 -0.03 1.49 -2.27 0.00 0.00 179.45 178.88 3itm h GLU 829 N 0.37 -0.07 -1.00 1.90 4.81 -0.24 -2.96 114.58 117.38 3itm h GLU 829 Ca 0.29 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.75 3itm h GLU 829 Cb 0.66 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.94 3itm h GLU 829 CO -0.08 0.52 0.60 0.35 -0.73 0.00 0.00 179.01 179.68 3itm h PHE 830 N -0.79 1.03 -0.25 0.92 3.57 -0.04 -1.66 116.94 119.72 3itm h PHE 830 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3itm h PHE 830 Cb 0.63 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3itm h PHE 830 CO 0.14 0.13 0.00 1.19 -2.23 0.00 0.00 178.31 177.54 3itm n PHE 831 N -4.84 0.33 -0.11 0.41 3.01 -0.33 -4.01 117.46 111.93 3itm n PHE 831 Ca 0.26 -0.16 -0.13 0.00 1.01 0.00 0.00 57.45 58.42 3itm n PHE 831 Cb 0.68 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 40.01 3itm n PHE 831 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3itm n SER 832 N 0.56 0.74 -1.66 4.37 7.64 -0.63 -5.06 113.62 119.59 3itm n SER 832 Ca 0.16 -0.05 -0.02 0.00 1.01 0.00 0.00 58.87 59.97 3itm n SER 832 Cb 0.37 0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 64.04 3itm n SER 832 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3itm n GLN 833 N -2.93 0.98 0.00 1.43 3.00 -1.20 -5.13 117.38 113.54 3itm n GLN 833 Ca -0.37 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.48 3itm n GLN 833 Cb 1.09 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 30.12 3itm n GLN 833 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3itm n GLU 837 N 1.73 0.00 -1.67 -1.09 2.13 -1.26 -5.16 120.64 115.33 3itm n GLU 837 Ca 0.06 0.00 -0.47 0.00 0.66 0.00 0.00 57.16 57.40 3itm n GLU 837 Cb 0.48 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.14 3itm n GLU 837 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3itm n LYS 838 N 0.00 2.09 -1.11 5.31 4.81 -1.26 -4.99 118.16 123.01 3itm n LYS 838 Ca 0.00 0.76 -0.30 0.00 -0.87 0.00 0.00 58.31 57.90 3itm n LYS 838 Cb 0.00 -2.55 0.15 0.00 0.02 0.00 0.00 35.03 32.65 3itm n LYS 838 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3itm s ALA 839 N 2.20 1.39 -0.07 3.14 0.00 -1.26 -5.00 121.76 122.17 3itm s ALA 839 Ca 0.85 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 3itm s ALA 839 Cb -0.70 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 3itm s ALA 839 CO 0.44 -2.49 0.78 1.41 0.00 0.00 0.00 175.76 175.90 3itm s MET 840 N -4.87 4.44 0.00 0.00 1.75 -1.26 -2.73 119.30 116.63 3itm s MET 840 Ca 0.64 1.02 0.00 0.00 -1.25 0.00 0.00 55.69 56.10 3itm s MET 840 Cb -0.19 -3.47 0.00 0.00 2.84 0.00 0.00 34.83 34.01 3itm s MET 840 CO 0.58 -0.02 0.00 0.41 -0.65 0.00 0.00 175.02 175.34 3itm n GLY 841 N 3.11 0.95 3.10 2.11 0.00 -1.26 -3.32 105.19 109.88 3itm n GLY 841 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3itm n GLY 841 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3itm n ASN 842 N 0.00 -6.05 -3.85 1.61 5.15 -1.11 -4.99 115.26 106.01 3itm n ASN 842 Ca 0.00 -0.33 -0.32 0.00 -0.60 0.00 0.00 54.58 53.32 3itm n ASN 842 Cb 0.00 -4.83 -0.07 0.00 -0.53 0.00 0.00 39.78 34.35 3itm n ASN 842 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3itm n ARG 843 N -4.13 2.64 0.09 1.20 1.74 -1.21 -4.90 116.66 112.09 3itm n ARG 843 Ca -0.08 -4.55 0.02 0.00 -0.77 0.00 0.00 57.85 52.46 3itm n ARG 843 Cb 0.60 -2.35 0.36 0.00 -1.02 0.00 0.00 32.46 30.05 3itm n ARG 843 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3itm h PRO 844 N 5.26 0.29 0.01 5.56 0.13 -1.90 -1.44 132.00 139.91 3itm h PRO 844 Ca 0.18 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3itm h PRO 844 Cb 0.73 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3itm h PRO 844 CO 0.88 0.43 -0.00 0.00 -0.23 0.00 0.00 178.00 179.07 3itm h MET 845 N 0.28 -0.01 -0.75 0.86 -0.00 -1.99 -1.48 114.93 111.84 3itm h MET 845 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.72 3itm h MET 845 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.96 3itm h MET 845 CO 0.02 0.21 0.34 1.49 -0.00 0.00 0.00 176.91 178.97 3itm h GLU 846 N -0.23 1.09 -0.48 -0.10 4.57 -1.83 -2.17 114.58 115.42 3itm h GLU 846 Ca -0.00 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 57.94 3itm h GLU 846 Cb 0.22 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3itm h GLU 846 CO 0.00 0.85 0.00 0.00 -1.18 0.00 0.00 179.01 178.69 3itm h MET 847 N 1.07 0.79 0.00 1.92 -0.00 -1.22 -2.98 114.93 114.50 3itm h MET 847 Ca 0.26 -0.21 -0.02 0.00 -0.00 0.00 0.00 59.70 59.73 3itm h MET 847 Cb 0.15 -0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 31.65 3itm h MET 847 CO -0.03 0.79 -0.38 1.98 -0.00 0.00 0.00 176.91 179.27 3itm h MET 848 N 0.74 0.00 0.05 -0.10 1.85 -0.64 -2.66 114.93 114.16 3itm h MET 848 Ca 0.14 0.00 -0.24 0.00 -0.61 0.00 0.00 59.70 58.99 3itm h MET 848 Cb 0.44 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.48 3itm h MET 848 CO 0.02 0.08 -1.05 -0.44 -0.40 0.00 0.00 176.91 175.12 3itm h ASP 849 N 0.00 0.48 0.43 1.39 5.19 -1.32 -0.27 116.42 122.32 3itm h ASP 849 Ca -0.01 -0.43 -0.08 0.00 -0.62 0.00 0.00 57.03 55.89 3itm h ASP 849 Cb 1.07 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 3itm h ASP 849 CO 0.01 1.26 -0.38 0.03 -3.12 0.00 0.00 179.24 177.04 3itm h ARG 850 N 0.17 0.00 -0.06 3.56 3.08 -1.42 -2.40 114.38 117.31 3itm h ARG 850 Ca -0.10 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 3itm h ARG 850 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.77 3itm h ARG 850 CO 0.18 0.38 -0.27 1.49 -1.07 0.00 0.00 179.97 180.67 3itm h GLU 851 N 0.00 0.28 0.00 0.04 4.57 -1.32 -3.11 114.58 115.04 3itm h GLU 851 Ca -0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 3itm h GLU 851 Cb 0.69 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3itm h GLU 851 CO 0.05 0.88 0.00 0.87 -1.18 0.00 0.00 179.01 179.62 3itm h LYS 852 N -0.24 0.00 0.00 1.92 1.57 -0.99 -2.52 116.57 116.31 3itm h LYS 852 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3itm h LYS 852 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3itm h LYS 852 CO 0.06 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 3itm h ALA 853 N 2.00 1.00 0.00 3.86 0.00 -1.35 -2.37 119.26 122.40 3itm h ALA 853 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3itm h ALA 853 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3itm h ALA 853 CO 0.00 0.00 -0.45 0.66 0.00 0.00 0.00 179.25 179.46 3itm n TYR 854 N -2.56 0.04 -0.14 0.00 4.02 -0.95 -4.46 117.16 113.10 3itm n TYR 854 Ca 0.01 0.01 -0.06 0.00 -0.01 0.00 0.00 57.90 57.85 3itm n TYR 854 Cb 0.22 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.23 3itm n TYR 854 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3itm h ILE 855 N 0.00 0.26 -0.43 -0.72 1.08 -1.57 -2.17 117.51 113.96 3itm h ILE 855 Ca 0.00 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 3itm h ILE 855 Cb 0.52 0.26 -0.09 0.00 -3.07 0.00 0.00 36.82 34.44 3itm h ILE 855 CO 0.00 0.00 -0.51 -0.65 -0.69 0.00 0.00 178.15 176.30 3itm h PRO 856 N -0.19 -0.34 -0.07 2.37 0.11 -1.81 0.15 132.00 132.22 3itm h PRO 856 Ca 0.20 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 3itm h PRO 856 Cb 0.52 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3itm h PRO 856 CO -0.57 -0.23 -0.22 1.49 -0.21 0.00 0.00 178.00 178.26 3itm h GLU 857 N -0.36 0.12 -0.33 1.05 4.57 -1.74 0.68 114.58 118.57 3itm h GLU 857 Ca 0.11 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.09 3itm h GLU 857 Cb 0.59 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3itm h GLU 857 CO -0.61 0.34 -0.45 -0.07 -1.18 0.00 0.00 179.01 177.04 3itm h LEU 858 N 0.11 0.95 -0.31 1.64 3.38 -0.86 -1.85 115.31 118.37 3itm h LEU 858 Ca 0.02 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 3itm h LEU 858 Cb 0.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3itm h LEU 858 CO 0.03 1.25 -0.28 -0.61 0.09 0.00 0.00 178.44 178.93 3itm h GLN 859 N 0.70 0.74 0.61 1.13 5.75 -0.00 0.15 115.11 124.19 3itm h GLN 859 Ca 0.04 -0.38 -0.03 0.00 -0.15 0.00 0.00 58.65 58.14 3itm h GLN 859 Cb 1.05 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.61 3itm h GLN 859 CO 0.10 1.00 -0.31 0.82 -2.65 0.00 0.00 178.83 177.79 3itm h ILE 860 N 0.50 0.36 -0.33 2.39 2.04 -0.88 0.04 117.51 121.63 3itm h ILE 860 Ca 0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.01 3itm h ILE 860 Cb 0.84 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3itm h ILE 860 CO 0.07 0.00 0.24 -1.28 0.00 0.00 0.00 178.15 177.18 3itm h SER 861 N -0.85 0.00 -0.00 1.72 0.87 -1.24 0.11 113.55 114.16 3itm h SER 861 Ca -0.08 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3itm h SER 861 Cb 0.66 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3itm h SER 861 CO 0.12 0.00 -0.00 0.15 -0.53 0.00 0.00 176.83 176.57 3itm h PHE 862 N 0.00 0.00 -0.13 2.24 3.57 -0.15 -2.24 116.94 120.23 3itm h PHE 862 Ca 0.16 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3itm h PHE 862 Cb 0.64 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 3itm h PHE 862 CO 0.00 0.38 -0.21 0.52 -2.23 0.00 0.00 178.31 176.76 3itm h MET 863 N -0.37 -0.26 -0.54 1.11 2.86 -0.16 -1.55 114.93 116.03 3itm h MET 863 Ca 0.00 0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 3itm h MET 863 Cb 0.38 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3itm h MET 863 CO 0.00 -0.17 0.03 0.93 1.06 0.00 0.00 176.91 178.76 3itm h GLU 864 N -0.27 0.93 0.00 1.72 5.08 -1.02 0.24 114.58 121.26 3itm h GLU 864 Ca 0.10 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3itm h GLU 864 Cb 0.42 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3itm h GLU 864 CO -0.29 0.93 -1.73 0.72 -1.00 0.00 0.00 179.01 177.64 3itm n HIS 865 N -4.31 0.28 0.04 4.33 8.25 -0.84 -4.51 115.22 118.46 3itm n HIS 865 Ca 0.02 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3itm n HIS 865 Cb 0.31 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 30.77 3itm n HIS 865 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3itm n ILE 866 N -2.40 0.45 0.31 1.59 2.08 -0.63 -4.81 119.36 115.95 3itm n ILE 866 Ca -0.04 0.15 -0.16 0.00 0.56 0.00 0.00 62.75 63.26 3itm n ILE 866 Cb 0.59 -1.02 -0.08 0.00 -0.75 0.00 0.00 39.64 38.37 3itm n ILE 866 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3itm h ALA 867 N 0.00 -0.76 -0.16 -1.39 0.00 -1.46 -3.02 119.26 112.46 3itm h ALA 867 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3itm h ALA 867 Cb 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3itm h ALA 867 CO 0.00 -0.88 -0.11 1.98 0.00 0.00 0.00 179.25 180.24 3itm h MET 868 N -0.87 -0.10 -0.19 0.00 -1.53 -1.18 -1.58 114.93 109.48 3itm h MET 868 Ca -0.08 0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.20 3itm h MET 868 Cb 0.62 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.69 3itm h MET 868 CO 0.13 -0.07 0.13 -1.35 0.14 0.00 0.00 176.91 175.89 3itm h PRO 869 N -0.11 0.22 -0.44 0.39 0.11 -1.77 -0.61 132.00 129.80 3itm h PRO 869 Ca 0.10 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 3itm h PRO 869 Cb 0.25 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3itm h PRO 869 CO -0.23 0.15 -0.13 -0.84 -0.21 0.00 0.00 178.00 176.74 3itm h ILE 870 N 0.23 1.26 0.00 4.15 -0.00 -1.17 -1.03 117.51 120.95 3itm h ILE 870 Ca 0.07 -1.21 0.00 0.00 -0.00 0.00 0.00 64.86 63.72 3itm h ILE 870 Cb 0.01 1.06 0.00 0.00 -0.00 0.00 0.00 36.82 37.89 3itm h ILE 870 CO -0.01 0.41 -0.27 1.88 -0.00 0.00 0.00 178.15 180.16 3itm h TYR 871 N 0.72 0.00 -0.23 0.16 -1.99 -0.93 -2.51 116.97 112.19 3itm h TYR 871 Ca 0.12 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.69 3itm h TYR 871 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.35 3itm h TYR 871 CO 0.03 0.00 -0.48 -0.22 -0.00 0.00 0.00 178.16 177.50 3itm h LYS 872 N 0.00 0.73 -0.20 4.88 3.64 -0.91 -2.61 116.57 122.10 3itm h LYS 872 Ca 0.00 -0.48 0.05 0.00 -1.27 0.00 0.00 60.65 58.95 3itm h LYS 872 Cb 0.83 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 3itm h LYS 872 CO 0.00 1.10 -0.09 -0.07 -2.27 0.00 0.00 179.45 178.12 3itm h LEU 873 N 0.45 -0.31 -0.63 5.20 3.38 -0.98 0.69 115.31 123.12 3itm h LEU 873 Ca 0.01 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.18 3itm h LEU 873 Cb 1.08 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.91 3itm h LEU 873 CO 0.11 -0.12 0.11 -0.07 0.09 0.00 0.00 178.44 178.56 3itm h LEU 874 N -0.07 -0.05 -0.75 1.67 3.38 -1.48 -1.32 115.31 116.70 3itm h LEU 874 Ca 0.11 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 3itm h LEU 874 Cb 0.23 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3itm h LEU 874 CO -0.24 -0.02 -0.06 -0.61 0.09 0.00 0.00 178.44 177.60 3itm h GLN 875 N 0.23 0.89 -0.75 1.13 4.15 -1.01 0.59 115.11 120.34 3itm h GLN 875 Ca 0.33 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.49 3itm h GLN 875 Cb 0.52 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 3itm h GLN 875 CO -0.44 0.92 0.50 -0.44 -1.93 0.00 0.00 178.83 177.43 3itm h ASP 876 N 0.81 0.84 0.31 -0.69 3.32 0.24 -3.07 116.42 118.17 3itm h ASP 876 Ca 0.14 -0.02 -0.33 0.00 0.02 0.00 0.00 57.03 56.85 3itm h ASP 876 Cb 0.56 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3itm h ASP 876 CO 0.03 0.60 -1.84 0.18 -1.72 0.00 0.00 179.24 176.49 3itm n LEU 877 N -4.43 1.78 -3.85 1.55 4.77 -0.83 -4.76 117.00 111.23 3itm n LEU 877 Ca 0.09 0.32 -0.30 0.00 -0.03 0.00 0.00 56.01 56.08 3itm n LEU 877 Cb 0.06 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.50 3itm n LEU 877 CO 0.36 0.62 -0.35 -0.36 -1.33 0.00 0.00 177.39 176.33 3itm s PHE 878 N -2.58 2.42 0.41 -1.77 0.08 0.20 -4.98 117.98 111.76 3itm s PHE 878 Ca -0.13 -2.09 0.21 0.00 0.12 0.00 0.00 56.93 55.04 3itm s PHE 878 Cb 0.07 -2.03 1.17 0.00 -0.57 0.00 0.00 43.02 41.66 3itm s PHE 878 CO 0.80 -0.87 1.75 -1.35 -0.10 0.00 0.00 175.22 175.45 3itm h PRO 879 N 7.93 0.32 0.00 0.24 0.11 -1.79 0.55 132.00 139.35 3itm h PRO 879 Ca -0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3itm h PRO 879 Cb 1.03 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3itm h PRO 879 CO 0.47 0.21 0.00 1.63 -0.21 0.00 0.00 178.00 180.10 3itm n LYS 880 N -4.62 0.14 0.00 1.05 5.02 -1.26 -1.70 118.16 116.79 3itm n LYS 880 Ca 0.27 0.64 0.14 0.00 -2.02 0.00 0.00 58.31 57.34 3itm n LYS 880 Cb 0.97 -1.97 0.66 0.00 -0.02 0.00 0.00 35.03 34.67 3itm n LYS 880 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itm n ALA 881 N -1.79 2.70 -0.16 7.82 0.00 0.18 -4.31 120.51 124.97 3itm n ALA 881 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 3itm n ALA 881 Cb 0.04 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.18 3itm n ALA 881 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3itm h ALA 882 N 3.65 0.50 -0.61 0.00 0.00 -1.49 -0.07 119.26 121.24 3itm h ALA 882 Ca 0.00 0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.21 3itm h ALA 882 Cb 0.32 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.21 3itm h ALA 882 CO 0.00 -0.36 0.01 -1.91 0.00 0.00 0.00 179.25 176.99 3itm n GLU 883 N -5.19 -0.05 0.01 0.00 2.13 -1.26 -1.11 120.64 115.17 3itm n GLU 883 Ca 0.05 0.91 -0.18 0.00 0.66 0.00 0.00 57.16 58.61 3itm n GLU 883 Cb 0.26 -1.44 -0.11 0.00 0.27 0.00 0.00 31.44 30.42 3itm n GLU 883 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3itm h LEU 884 N 0.00 0.61 -0.30 4.31 3.38 -1.31 -1.78 115.31 120.22 3itm h LEU 884 Ca 0.37 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 3itm h LEU 884 Cb 0.75 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3itm h LEU 884 CO -0.57 1.27 0.05 0.22 0.09 0.00 0.00 178.44 179.49 3itm h TYR 885 N 0.01 0.52 -1.00 1.13 3.20 -1.02 -2.11 116.97 117.69 3itm h TYR 885 Ca -0.08 -0.07 0.13 0.00 3.14 0.00 0.00 58.73 61.84 3itm h TYR 885 Cb 1.36 -0.14 -0.09 0.00 1.54 0.00 0.00 36.73 39.40 3itm h TYR 885 CO 0.14 0.58 0.63 0.93 -1.64 0.00 0.00 178.16 178.80 3itm h GLU 886 N 0.31 0.95 -0.14 1.82 4.39 -1.13 0.14 114.58 120.92 3itm h GLU 886 Ca 0.09 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3itm h GLU 886 Cb 0.34 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3itm h GLU 886 CO 0.01 0.63 -0.06 -0.09 -1.16 0.00 0.00 179.01 178.33 3itm h ARG 887 N 0.98 0.29 -0.78 2.33 9.65 -1.01 0.30 114.38 126.14 3itm h ARG 887 Ca 0.50 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 59.27 3itm h ARG 887 Cb 0.52 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.06 3itm h ARG 887 CO -0.27 0.61 0.52 0.28 2.80 0.00 0.00 179.97 183.91 3itm h VAL 888 N -0.05 1.19 -0.44 0.20 2.07 -0.89 -1.11 116.25 117.22 3itm h VAL 888 Ca 0.03 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 3itm h VAL 888 Cb 0.53 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3itm h VAL 888 CO 0.02 0.19 -0.08 0.00 0.02 0.00 0.00 177.57 177.72 3itm h ALA 889 N 1.52 0.60 -0.46 1.67 0.00 -0.22 -0.86 119.26 121.52 3itm h ALA 889 Ca 0.29 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3itm h ALA 889 Cb -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3itm h ALA 889 CO -0.07 0.47 0.08 1.03 0.00 0.00 0.00 179.25 180.76 3itm h SER 890 N 0.66 0.65 -0.46 0.00 0.87 -0.71 -1.25 113.55 113.32 3itm h SER 890 Ca 0.11 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3itm h SER 890 Cb 0.61 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3itm h SER 890 CO 0.04 0.67 -0.14 0.78 -0.53 0.00 0.00 176.83 177.65 3itm h ASN 891 N 0.67 0.92 -0.20 6.23 2.35 -0.87 -1.89 115.58 122.80 3itm h ASN 891 Ca 0.15 -0.37 0.03 0.00 -0.55 0.00 0.00 56.30 55.56 3itm h ASN 891 Cb 0.30 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3itm h ASN 891 CO 0.00 1.08 0.14 -0.09 -1.65 0.00 0.00 177.43 176.91 3itm h ARG 892 N 0.75 0.11 -0.32 0.81 2.43 -0.67 -0.35 114.38 117.13 3itm h ARG 892 Ca 0.11 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 3itm h ARG 892 Cb 0.70 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 3itm h ARG 892 CO 0.05 0.07 -0.06 1.49 -1.51 0.00 0.00 179.97 180.01 3itm h GLU 893 N 0.11 0.61 -0.61 0.20 4.57 -0.73 -1.91 114.58 116.83 3itm h GLU 893 Ca 0.09 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.00 3itm h GLU 893 Cb 0.21 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 3itm h GLU 893 CO -0.01 0.78 0.24 1.25 -1.18 0.00 0.00 179.01 180.10 3itm h HIS 894 N 0.39 0.93 -0.45 0.92 2.76 -0.33 -2.33 115.15 117.05 3itm h HIS 894 Ca 0.08 -0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 3itm h HIS 894 Cb 0.55 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 3itm h HIS 894 CO 0.05 0.74 0.27 -1.49 -1.30 0.00 0.00 177.93 176.20 3itm h TRP 895 N 0.85 0.50 -0.81 5.26 4.06 -1.23 -2.83 115.95 121.76 3itm h TRP 895 Ca 0.20 0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.25 3itm h TRP 895 Cb 0.20 -0.16 -0.07 0.00 -1.00 0.00 0.00 29.16 28.14 3itm h TRP 895 CO 0.01 0.29 0.47 0.00 -3.56 0.00 0.00 178.44 175.65 3itm h THR 896 N 0.54 0.94 0.00 1.49 1.03 -0.80 -2.56 112.91 113.54 3itm h THR 896 Ca 0.18 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 66.30 3itm h THR 896 Cb 0.01 0.06 0.00 0.00 -1.07 0.00 0.00 68.15 67.15 3itm h THR 896 CO -0.08 0.15 0.01 0.29 -0.01 0.00 0.00 175.52 175.87 3itm n LYS 897 N -4.72 0.01 -3.63 0.00 5.02 -1.03 -4.70 118.16 109.11 3itm n LYS 897 Ca 0.13 0.50 -0.39 0.00 -2.02 0.00 0.00 58.31 56.53 3itm n LYS 897 Cb 0.24 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.61 3itm n LYS 897 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3itm s VAL 898 N -3.02 4.87 0.00 -0.18 1.01 -0.97 -5.15 120.40 116.96 3itm s VAL 898 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3itm s VAL 898 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3itm s VAL 898 CO 0.01 0.13 0.00 -1.54 0.00 0.00 0.00 175.10 173.70