#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i37 h PHE 673 N 0.00 0.14 -0.02 1.39 3.57 -2.04 -2.70 116.94 117.29 1i37 h PHE 673 Ca 0.00 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1i37 h PHE 673 Cb 0.00 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1i37 h PHE 673 CO 0.00 0.08 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.69 1i37 h LEU 674 N 0.17 0.04 -0.53 0.59 3.38 -2.00 -2.51 115.31 114.46 1i37 h LEU 674 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1i37 h LEU 674 Cb 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1i37 h LEU 674 CO -0.06 0.44 0.24 0.78 0.09 0.00 0.00 178.44 179.93 1i37 h ASN 675 N 0.04 0.70 0.08 -0.43 2.35 -1.92 -0.74 115.58 115.66 1i37 h ASN 675 Ca 0.00 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1i37 h ASN 675 Cb 0.72 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1i37 h ASN 675 CO 0.05 0.65 -0.04 1.62 -1.65 0.00 0.00 177.43 178.07 1i37 h VAL 676 N 0.70 1.14 -0.58 2.81 3.04 -1.44 0.27 116.25 122.20 1i37 h VAL 676 Ca 0.18 -0.78 0.09 0.00 -1.01 0.00 0.00 66.70 65.17 1i37 h VAL 676 Cb 0.15 1.64 -0.07 0.00 -2.01 0.00 0.00 31.29 31.00 1i37 h VAL 676 CO -0.02 0.19 0.21 -0.07 -1.01 0.00 0.00 177.57 176.87 1i37 h LEU 677 N -0.46 0.20 -1.15 3.16 3.38 -1.31 0.46 115.31 119.59 1i37 h LEU 677 Ca -0.01 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1i37 h LEU 677 Cb 0.39 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1i37 h LEU 677 CO 0.02 0.13 0.19 -0.33 0.09 0.00 0.00 178.44 178.53 1i37 h GLU 678 N 0.39 0.78 -0.02 1.13 5.08 -1.09 -2.35 114.58 118.50 1i37 h GLU 678 Ca 0.29 -0.13 -0.20 0.00 -1.00 0.00 0.00 59.36 58.32 1i37 h GLU 678 Cb 0.35 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1i37 h GLU 678 CO -0.29 0.66 -0.84 0.00 -1.00 0.00 0.00 179.01 177.54 1i37 h ALA 679 N 1.44 0.52 -0.00 3.43 0.00 0.15 -3.28 119.26 121.51 1i37 h ALA 679 Ca 0.18 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i37 h ALA 679 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1i37 h ALA 679 CO -0.01 0.83 -0.47 0.44 0.00 0.00 0.00 179.25 180.04 1i37 n ILE 680 N -3.75 0.00 -1.66 0.00 -5.35 0.13 -4.94 119.36 103.79 1i37 n ILE 680 Ca -0.05 -0.04 -0.48 0.00 -0.27 0.00 0.00 62.75 61.91 1i37 n ILE 680 Cb 0.77 0.36 -0.05 0.00 -1.74 0.00 0.00 39.64 38.99 1i37 n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1i37 n GLU 681 N -1.24 2.12 -1.36 6.28 4.07 -0.90 -4.75 120.64 124.86 1i37 n GLU 681 Ca 0.07 0.76 -0.36 0.00 -0.06 0.00 0.00 57.16 57.57 1i37 n GLU 681 Cb 0.34 -2.67 0.07 0.00 -0.06 0.00 0.00 31.44 29.12 1i37 n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1i37 n PRO 682 N 6.90 0.45 0.00 5.31 -0.02 -1.26 -5.04 135.00 141.34 1i37 n PRO 682 Ca 0.24 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1i37 n PRO 682 Cb 0.30 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1i37 n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i37 n GLY 683 N 1.45 0.96 3.77 -1.23 0.00 -1.26 -5.04 105.19 103.83 1i37 n GLY 683 Ca 0.12 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 1i37 n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i37 s VAL 684 N 0.76 4.25 -0.12 1.61 1.01 -1.26 -5.06 120.40 121.59 1i37 s VAL 684 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.83 1i37 s VAL 684 Cb 0.00 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1i37 s VAL 684 CO 0.00 0.51 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 1i37 s VAL 685 N -1.17 1.27 0.10 2.92 1.01 -1.26 -5.13 120.40 118.15 1i37 s VAL 685 Ca 0.38 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1i37 s VAL 685 Cb -0.24 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1i37 s VAL 685 CO 0.28 0.41 0.35 0.00 0.00 0.00 0.00 175.10 176.14 1i37 h ALA 687 N 3.18 0.75 -0.12 0.00 0.00 -1.90 -3.46 119.26 117.71 1i37 h ALA 687 Ca -0.47 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1i37 h ALA 687 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1i37 h ALA 687 CO 0.71 0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1i37 n GLY 688 N 1.17 0.53 3.75 0.00 0.00 -1.26 -4.36 105.19 105.01 1i37 n GLY 688 Ca 0.01 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1i37 n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1i37 s HIS 689 N -2.12 3.84 -0.42 1.61 5.04 -1.26 -5.00 115.29 116.99 1i37 s HIS 689 Ca 0.00 1.83 -0.25 0.00 -1.54 0.00 0.00 55.06 55.10 1i37 s HIS 689 Cb 0.00 -3.08 0.02 0.00 0.04 0.00 0.00 32.58 29.56 1i37 s HIS 689 CO 0.00 0.11 0.92 0.34 -2.34 0.00 0.00 174.74 173.77 1i37 s ASP 690 N -0.89 6.58 -0.19 9.88 3.68 -1.26 -4.89 116.67 129.58 1i37 s ASP 690 Ca 0.43 0.33 0.08 0.00 2.13 0.00 0.00 52.55 55.52 1i37 s ASP 690 Cb -0.27 -2.45 0.51 0.00 -1.45 0.00 0.00 42.92 39.26 1i37 s ASP 690 CO 0.34 -0.95 1.39 0.59 0.13 0.00 0.00 175.17 176.67 1i37 n ASN 691 N 6.96 3.96 -0.02 -0.34 3.02 -1.26 -3.58 115.26 124.00 1i37 n ASN 691 Ca 0.06 -2.71 0.04 0.00 -0.03 0.00 0.00 54.58 51.94 1i37 n ASN 691 Cb 0.48 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 1i37 n ASN 691 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1i37 n ASN 692 N 0.17 2.05 -4.85 6.41 3.02 -1.26 -4.98 115.26 115.82 1i37 n ASN 692 Ca 0.23 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.45 1i37 n ASN 692 Cb 0.97 1.43 -0.06 0.00 -0.61 0.00 0.00 39.78 41.51 1i37 n ASN 692 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1i37 s GLN 693 N -2.77 4.00 0.55 3.52 2.00 -1.23 -5.04 119.66 120.68 1i37 s GLN 693 Ca -0.05 0.58 -0.21 0.00 -2.00 0.00 0.00 55.36 53.67 1i37 s GLN 693 Cb 0.07 -2.67 -0.05 0.00 0.80 0.00 0.00 33.01 31.16 1i37 s GLN 693 CO 0.53 0.31 1.31 -2.30 -0.50 0.00 0.00 175.29 174.63 1i37 n PRO 694 N 0.14 1.58 -2.16 1.67 -0.02 -1.26 -4.92 135.00 130.04 1i37 n PRO 694 Ca -0.00 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 1i37 n PRO 694 Cb 0.52 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 1i37 n PRO 694 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1i37 s ASP 695 N -0.96 6.78 0.02 2.55 -0.00 -1.26 -4.95 116.67 118.86 1i37 s ASP 695 Ca 0.72 2.11 0.01 0.00 -0.00 0.00 0.00 52.55 55.38 1i37 s ASP 695 Cb -0.42 -2.55 -0.02 0.00 -0.00 0.00 0.00 42.92 39.94 1i37 s ASP 695 CO 0.49 -0.82 -0.04 -0.94 -0.00 0.00 0.00 175.17 173.86 1i37 s SER 696 N 2.50 0.35 0.16 0.27 1.04 -1.26 -5.05 113.70 111.71 1i37 s SER 696 Ca 0.66 -0.36 -0.27 0.00 0.48 0.00 0.00 55.95 56.46 1i37 s SER 696 Cb -0.31 0.05 0.01 0.00 0.10 0.00 0.00 66.02 65.87 1i37 s SER 696 CO 0.26 -0.18 1.57 0.15 0.98 0.00 0.00 173.24 176.02 1i37 h PHE 697 N 5.07 -1.27 -0.67 5.02 3.57 -1.94 -0.83 116.94 125.90 1i37 h PHE 697 Ca -0.31 0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.41 1i37 h PHE 697 Cb 1.21 0.62 -0.10 0.00 2.79 0.00 0.00 35.95 40.47 1i37 h PHE 697 CO 0.58 -0.44 0.11 0.00 -2.23 0.00 0.00 178.31 176.33 1i37 h ALA 698 N 0.47 0.78 0.25 2.41 0.00 -1.90 0.13 119.26 121.40 1i37 h ALA 698 Ca 0.15 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1i37 h ALA 698 Cb 0.58 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1i37 h ALA 698 CO -0.61 -0.35 -0.12 0.00 0.00 0.00 0.00 179.25 178.17 1i37 h ALA 699 N 1.56 -0.33 -0.59 0.00 0.00 -1.79 -1.14 119.26 116.97 1i37 h ALA 699 Ca 0.36 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1i37 h ALA 699 Cb 0.59 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1i37 h ALA 699 CO -0.49 -0.50 0.39 -0.07 0.00 0.00 0.00 179.25 178.58 1i37 h LEU 700 N -0.69 0.63 0.01 0.00 4.07 -0.92 -1.24 115.31 117.17 1i37 h LEU 700 Ca -0.03 -0.01 -0.26 0.00 0.08 0.00 0.00 57.88 57.66 1i37 h LEU 700 Cb 0.48 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 42.03 1i37 h LEU 700 CO 0.06 0.44 -1.38 -0.07 -1.08 0.00 0.00 178.44 176.41 1i37 h LEU 701 N 0.74 0.04 -1.04 1.67 4.07 -0.99 -2.28 115.31 117.52 1i37 h LEU 701 Ca 0.23 -0.05 -0.09 0.00 0.08 0.00 0.00 57.88 58.05 1i37 h LEU 701 Cb 0.02 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1i37 h LEU 701 CO -0.06 1.04 -0.25 0.28 -1.08 0.00 0.00 178.44 178.37 1i37 h SER 702 N 0.01 0.38 -0.19 -0.43 0.02 -0.85 -1.46 113.55 111.03 1i37 h SER 702 Ca -0.16 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.60 1i37 h SER 702 Cb 1.91 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 64.34 1i37 h SER 702 CO 0.11 0.63 -0.15 0.28 -1.14 0.00 0.00 176.83 176.56 1i37 h SER 703 N 0.34 0.45 -0.62 3.07 0.02 -1.23 -1.30 113.55 114.28 1i37 h SER 703 Ca 0.05 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1i37 h SER 703 Cb 0.63 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1i37 h SER 703 CO 0.05 0.81 0.38 -0.07 -1.14 0.00 0.00 176.83 176.86 1i37 h LEU 704 N 0.10 0.74 -0.30 5.07 3.38 -1.23 -0.24 115.31 122.82 1i37 h LEU 704 Ca 0.03 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1i37 h LEU 704 Cb 0.67 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1i37 h LEU 704 CO 0.04 0.56 -0.06 0.78 0.09 0.00 0.00 178.44 179.85 1i37 h ASN 705 N 0.86 0.58 -0.65 -0.43 -0.26 -1.06 0.49 115.58 115.11 1i37 h ASN 705 Ca 0.23 -0.36 -0.03 0.00 -0.56 0.00 0.00 56.30 55.58 1i37 h ASN 705 Cb -0.05 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.03 1i37 h ASN 705 CO -0.04 0.80 0.28 -0.08 -1.06 0.00 0.00 177.43 177.33 1i37 h GLU 706 N 0.35 0.96 -0.91 0.81 4.57 -0.87 -0.20 114.58 119.29 1i37 h GLU 706 Ca 0.08 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1i37 h GLU 706 Cb 0.54 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 1i37 h GLU 706 CO 0.03 0.79 0.53 1.25 -1.18 0.00 0.00 179.01 180.42 1i37 h LEU 707 N 0.91 1.11 -0.94 1.64 5.85 -0.90 0.05 115.31 123.04 1i37 h LEU 707 Ca 0.22 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1i37 h LEU 707 Cb 0.17 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1i37 h LEU 707 CO -0.02 0.87 0.32 1.23 -0.34 0.00 0.00 178.44 180.50 1i37 h GLY 708 N 1.27 1.16 1.42 3.75 0.00 0.17 0.16 103.07 111.00 1i37 h GLY 708 Ca 0.32 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1i37 h GLY 708 CO -0.06 0.57 -0.20 -2.09 0.00 0.00 0.00 176.54 174.76 1i37 h GLU 709 N 1.07 0.68 -0.01 4.80 4.57 -0.00 -1.76 114.58 123.92 1i37 h GLU 709 Ca 0.25 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1i37 h GLU 709 Cb 0.17 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1i37 h GLU 709 CO -0.03 0.83 -0.17 0.00 -1.18 0.00 0.00 179.01 178.47 1i37 h ARG 710 N 0.60 0.12 -0.33 1.92 3.08 -0.60 -3.17 114.38 116.02 1i37 h ARG 710 Ca 0.09 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1i37 h ARG 710 Cb 0.67 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1i37 h ARG 710 CO 0.05 0.86 0.16 1.96 -1.07 0.00 0.00 179.97 181.93 1i37 h GLN 711 N -0.56 0.45 -0.82 0.04 4.20 -0.71 -2.58 115.11 115.12 1i37 h GLN 711 Ca -0.02 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1i37 h GLN 711 Cb 0.91 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 1i37 h GLN 711 CO 0.03 0.35 0.36 1.25 -0.67 0.00 0.00 178.83 180.15 1i37 h LEU 712 N 0.46 1.11 -0.92 1.46 5.85 -1.37 -0.39 115.31 121.51 1i37 h LEU 712 Ca 0.12 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.77 1i37 h LEU 712 Cb 0.05 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 40.72 1i37 h LEU 712 CO -0.02 0.96 0.56 0.58 -0.34 0.00 0.00 178.44 180.19 1i37 h VAL 713 N 1.19 0.98 -0.00 1.05 2.07 -1.43 -0.26 116.25 119.84 1i37 h VAL 713 Ca 0.28 -0.33 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 1i37 h VAL 713 Cb 0.18 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1i37 h VAL 713 CO -0.03 0.18 -0.76 0.45 0.02 0.00 0.00 177.57 177.42 1i37 h HIS 714 N 0.97 0.06 -0.18 1.57 3.86 -1.30 -2.94 115.15 117.18 1i37 h HIS 714 Ca 0.42 -0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.45 1i37 h HIS 714 Cb 0.31 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1i37 h HIS 714 CO -0.03 0.79 -0.55 0.28 0.86 0.00 0.00 177.93 179.28 1i37 h VAL 715 N 0.02 1.32 -0.58 2.45 2.07 -0.44 -1.25 116.25 119.86 1i37 h VAL 715 Ca -0.01 -1.80 -0.07 0.00 0.82 0.00 0.00 66.70 65.64 1i37 h VAL 715 Cb 1.35 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1i37 h VAL 715 CO 0.10 0.56 0.09 0.58 0.02 0.00 0.00 177.57 178.92 1i37 h VAL 716 N 0.41 1.26 -0.01 2.57 2.07 -0.95 -0.49 116.25 121.11 1i37 h VAL 716 Ca 0.01 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1i37 h VAL 716 Cb 1.08 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1i37 h VAL 716 CO 0.10 0.36 -0.01 0.11 0.02 0.00 0.00 177.57 178.16 1i37 h LYS 717 N 0.85 0.02 0.18 1.57 1.79 -1.44 -2.18 116.57 117.37 1i37 h LYS 717 Ca 0.17 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.65 1i37 h LYS 717 Cb 0.43 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.03 1i37 h LYS 717 CO 0.01 0.47 -0.46 2.35 -1.08 0.00 0.00 179.45 180.74 1i37 h TRP 718 N -0.42 -1.30 -0.59 -1.35 7.01 -1.20 -2.10 115.95 116.00 1i37 h TRP 718 Ca 0.00 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.15 1i37 h TRP 718 Cb 0.46 0.55 -0.10 0.00 -2.10 0.00 0.00 29.16 27.97 1i37 h TRP 718 CO 0.08 -0.56 -0.05 0.00 -2.79 0.00 0.00 178.44 175.12 1i37 h ALA 719 N -0.37 0.52 0.00 2.65 0.00 -1.12 0.20 119.26 121.14 1i37 h ALA 719 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1i37 h ALA 719 Cb 0.73 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1i37 h ALA 719 CO -0.23 -0.41 0.00 0.87 0.00 0.00 0.00 179.25 179.48 1i37 h LYS 720 N 0.07 0.00 -0.48 0.00 1.57 -0.94 -0.75 116.57 116.05 1i37 h LYS 720 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1i37 h LYS 720 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1i37 h LYS 720 CO -0.54 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.34 1i37 n ALA 721 N -1.94 2.37 -2.02 3.86 0.00 0.66 -4.79 120.51 118.64 1i37 n ALA 721 Ca -0.01 -1.10 -0.41 0.00 0.00 0.00 0.00 53.44 51.92 1i37 n ALA 721 Cb 0.15 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 1i37 n ALA 721 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1i37 s LEU 722 N -1.20 4.45 0.29 0.00 2.96 -0.29 -4.97 118.68 119.93 1i37 s LEU 722 Ca 0.38 2.25 -0.29 0.00 -0.22 0.00 0.00 54.13 56.25 1i37 s LEU 722 Cb 0.21 -3.61 -0.13 0.00 0.50 0.00 0.00 46.19 43.16 1i37 s LEU 722 CO 0.28 -0.37 1.29 -2.65 -1.32 0.00 0.00 176.35 173.58 1i37 n PRO 723 N 2.38 1.95 -0.36 0.98 -0.02 -1.26 -1.14 135.00 137.53 1i37 n PRO 723 Ca 0.04 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1i37 n PRO 723 Cb 0.45 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1i37 n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i37 n GLY 724 N 1.36 0.87 0.35 -1.23 0.00 -1.26 -4.85 105.19 100.44 1i37 n GLY 724 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1i37 n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i37 h PHE 725 N 0.00 1.09 0.00 1.61 3.57 -1.46 -2.00 116.94 119.76 1i37 h PHE 725 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1i37 h PHE 725 Cb 0.00 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.40 1i37 h PHE 725 CO 0.00 0.44 0.00 0.54 -2.23 0.00 0.00 178.31 177.06 1i37 n ARG 726 N -4.64 0.06 0.19 1.11 5.12 -1.26 -2.23 116.66 115.01 1i37 n ARG 726 Ca 0.18 0.28 0.05 0.00 -1.93 0.00 0.00 57.85 56.42 1i37 n ARG 726 Cb 0.33 -1.50 0.35 0.00 -1.16 0.00 0.00 32.46 30.48 1i37 n ARG 726 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1i37 h ASN 727 N 0.00 0.00 -4.06 0.55 -0.26 -1.76 -3.44 115.58 106.60 1i37 h ASN 727 Ca 0.00 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 55.25 1i37 h ASN 727 Cb 0.08 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 37.39 1i37 h ASN 727 CO 0.00 0.39 0.43 -0.76 -1.06 0.00 0.00 177.43 176.43 1i37 s LEU 728 N -7.38 3.83 0.42 1.61 1.43 -0.95 -4.92 118.68 112.72 1i37 s LEU 728 Ca -0.01 2.12 -0.26 0.00 -1.03 0.00 0.00 54.13 54.96 1i37 s LEU 728 Cb 0.12 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.75 1i37 s LEU 728 CO 0.70 -1.02 1.29 -2.28 0.23 0.00 0.00 176.35 175.26 1i37 s HIS 729 N -1.79 2.80 0.29 0.29 5.65 -1.26 -4.72 115.29 116.56 1i37 s HIS 729 Ca 0.69 1.42 0.01 0.00 0.25 0.00 0.00 55.06 57.44 1i37 s HIS 729 Cb -0.23 -3.65 0.72 0.00 -1.18 0.00 0.00 32.58 28.24 1i37 s HIS 729 CO 0.26 -2.06 1.61 0.28 -0.65 0.00 0.00 174.74 174.18 1i37 h VAL 730 N 2.36 0.20 -0.26 0.89 2.07 -1.94 0.62 116.25 120.19 1i37 h VAL 730 Ca -0.50 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 66.84 1i37 h VAL 730 Cb 1.25 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1i37 h VAL 730 CO 0.62 0.02 -0.42 -0.78 0.02 0.00 0.00 177.57 177.03 1i37 h ASP 731 N 0.11 0.68 0.03 0.57 1.82 -2.00 -2.98 116.42 114.65 1i37 h ASP 731 Ca 0.56 -0.31 -0.12 0.00 -0.39 0.00 0.00 57.03 56.77 1i37 h ASP 731 Cb 1.15 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.96 1i37 h ASP 731 CO -0.76 1.02 -0.37 0.44 -1.61 0.00 0.00 179.24 177.96 1i37 h ASP 732 N 0.52 0.48 -0.17 2.28 3.32 -0.24 0.01 116.42 122.62 1i37 h ASP 732 Ca 0.04 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 56.93 1i37 h ASP 732 Cb 0.94 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1i37 h ASP 732 CO 0.09 0.80 -0.04 1.56 -1.72 0.00 0.00 179.24 179.93 1i37 h GLN 733 N 0.39 0.00 -0.20 3.56 4.20 -0.78 -0.62 115.11 121.65 1i37 h GLN 733 Ca 0.04 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1i37 h GLN 733 Cb 0.82 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 1i37 h GLN 733 CO 0.07 0.00 -0.15 1.98 -0.67 0.00 0.00 178.83 180.06 1i37 h MET 734 N 0.00 0.46 -0.14 1.46 4.05 -1.37 -3.09 114.93 116.31 1i37 h MET 734 Ca 0.08 -0.22 0.03 0.00 -0.28 0.00 0.00 59.70 59.30 1i37 h MET 734 Cb 0.12 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 1i37 h MET 734 CO -0.17 0.78 -0.03 0.00 0.23 0.00 0.00 176.91 177.71 1i37 h ALA 735 N 0.67 0.09 -0.76 0.39 0.00 -0.89 -0.68 119.26 118.08 1i37 h ALA 735 Ca 0.04 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1i37 h ALA 735 Cb 0.67 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1i37 h ALA 735 CO 0.04 -0.48 0.42 0.28 0.00 0.00 0.00 179.25 179.50 1i37 h VAL 736 N -0.00 0.91 -0.20 0.00 2.07 -1.18 -0.86 116.25 116.99 1i37 h VAL 736 Ca 0.07 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1i37 h VAL 736 Cb 0.10 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1i37 h VAL 736 CO -0.14 0.13 0.04 0.40 0.02 0.00 0.00 177.57 178.02 1i37 h ILE 737 N 0.72 1.22 0.00 4.57 2.04 -1.39 -1.19 117.51 123.48 1i37 h ILE 737 Ca 0.36 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1i37 h ILE 737 Cb 0.31 1.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1i37 h ILE 737 CO -0.23 0.22 -0.05 1.56 0.00 0.00 0.00 178.15 179.65 1i37 h GLN 738 N 0.13 0.00 0.00 2.37 4.20 -0.44 -1.23 115.11 120.15 1i37 h GLN 738 Ca 0.06 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.45 1i37 h GLN 738 Cb 0.29 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.01 1i37 h GLN 738 CO 0.00 0.05 -2.14 0.66 -0.67 0.00 0.00 178.83 176.72 1i37 n TYR 739 N -3.57 0.31 1.12 2.96 4.01 -0.39 -4.60 117.16 117.00 1i37 n TYR 739 Ca -0.02 0.11 0.12 0.00 -0.16 0.00 0.00 57.90 57.95 1i37 n TYR 739 Cb 0.15 -1.03 0.19 0.00 -0.31 0.00 0.00 39.34 38.35 1i37 n TYR 739 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1i37 n SER 740 N -2.81 1.40 -0.30 7.72 3.41 -0.46 -4.53 113.62 118.05 1i37 n SER 740 Ca -0.26 -1.12 0.05 0.00 -0.26 0.00 0.00 58.87 57.28 1i37 n SER 740 Cb 1.09 0.33 0.19 0.00 -0.26 0.00 0.00 64.21 65.56 1i37 n SER 740 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1i37 h TRP 741 N 1.57 0.87 -0.07 7.33 5.08 -1.48 -2.30 115.95 126.94 1i37 h TRP 741 Ca 0.00 0.03 0.02 0.00 1.08 0.00 0.00 58.89 60.02 1i37 h TRP 741 Cb 0.61 -0.26 -0.02 0.00 -3.00 0.00 0.00 29.16 26.49 1i37 h TRP 741 CO 0.00 0.32 -0.04 1.98 -1.28 0.00 0.00 178.44 179.41 1i37 h MET 742 N 0.77 -0.04 -0.36 0.12 4.05 -1.89 0.32 114.93 117.90 1i37 h MET 742 Ca 0.43 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.76 1i37 h MET 742 Cb 0.46 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1i37 h MET 742 CO -0.28 -0.03 -0.14 0.78 0.23 0.00 0.00 176.91 177.48 1i37 h GLY 743 N -0.04 0.69 0.93 1.39 0.00 -1.84 -1.64 103.07 102.55 1i37 h GLY 743 Ca 0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1i37 h GLY 743 CO -0.10 0.47 0.09 1.41 0.00 0.00 0.00 176.54 178.41 1i37 h LEU 744 N 0.58 0.60 -0.51 3.11 3.38 -0.88 -1.05 115.31 120.53 1i37 h LEU 744 Ca 0.10 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 1i37 h LEU 744 Cb 0.57 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1i37 h LEU 744 CO 0.04 0.68 -0.67 0.24 0.09 0.00 0.00 178.44 178.82 1i37 h MET 745 N 0.49 0.33 -0.37 1.13 2.86 -0.90 -2.67 114.93 115.81 1i37 h MET 745 Ca 0.12 -0.25 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 1i37 h MET 745 Cb 0.32 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1i37 h MET 745 CO 0.00 0.88 -0.32 0.28 1.06 0.00 0.00 176.91 178.82 1i37 h VAL 746 N 0.24 1.28 -0.41 -2.22 2.07 -1.24 -0.96 116.25 115.01 1i37 h VAL 746 Ca -0.02 -1.48 -0.11 0.00 0.82 0.00 0.00 66.70 65.91 1i37 h VAL 746 Cb 1.21 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1i37 h VAL 746 CO 0.11 0.49 -0.18 0.15 0.02 0.00 0.00 177.57 178.16 1i37 h PHE 747 N 0.68 0.96 -0.07 1.57 3.57 -1.20 -1.46 116.94 121.00 1i37 h PHE 747 Ca 0.07 -0.23 -0.16 0.00 3.53 0.00 0.00 57.97 61.17 1i37 h PHE 747 Cb 0.90 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 1i37 h PHE 747 CO 0.06 1.00 -0.66 0.00 -2.23 0.00 0.00 178.31 176.48 1i37 h ALA 748 N 0.82 0.75 -0.23 2.41 0.00 -1.48 -2.65 119.26 118.88 1i37 h ALA 748 Ca 0.09 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1i37 h ALA 748 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1i37 h ALA 748 CO 0.06 0.76 -0.22 1.98 0.00 0.00 0.00 179.25 181.82 1i37 h MET 749 N 0.20 0.43 -0.16 0.00 1.85 -1.00 -1.52 114.93 114.73 1i37 h MET 749 Ca -0.01 -0.15 -0.13 0.00 -0.61 0.00 0.00 59.70 58.80 1i37 h MET 749 Cb 1.19 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.18 1i37 h MET 749 CO 0.11 0.63 -0.44 0.78 -0.40 0.00 0.00 176.91 177.58 1i37 h GLY 750 N 0.98 0.43 0.74 1.39 0.00 -1.12 -2.07 103.07 103.42 1i37 h GLY 750 Ca 0.06 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1i37 h GLY 750 CO 0.04 0.39 -0.02 -0.25 0.00 0.00 0.00 176.54 176.71 1i37 h TRP 751 N 0.32 0.25 -0.88 5.60 2.91 -1.03 -1.83 115.95 121.29 1i37 h TRP 751 Ca 0.02 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.03 1i37 h TRP 751 Cb 0.90 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.44 1i37 h TRP 751 CO 0.03 0.50 0.56 0.00 -1.03 0.00 0.00 178.44 178.50 1i37 h ARG 752 N -0.08 1.05 -0.65 2.65 3.08 -1.22 0.96 114.38 120.17 1i37 h ARG 752 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1i37 h ARG 752 Cb 0.42 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1i37 h ARG 752 CO 0.01 0.70 0.33 0.77 -1.07 0.00 0.00 179.97 180.71 1i37 h SER 753 N 1.09 0.81 0.30 7.04 0.02 -1.29 -1.73 113.55 119.79 1i37 h SER 753 Ca 0.35 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1i37 h SER 753 Cb 0.03 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1i37 h SER 753 CO -0.12 0.68 -0.14 0.15 -1.14 0.00 0.00 176.83 176.25 1i37 h PHE 754 N 0.91 -0.38 0.00 3.45 3.57 -0.25 -0.72 116.94 123.52 1i37 h PHE 754 Ca 0.23 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1i37 h PHE 754 Cb 0.06 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1i37 h PHE 754 CO 0.01 -0.23 -0.02 1.79 -2.23 0.00 0.00 178.31 177.62 1i37 h THR 755 N -0.64 0.64 0.00 4.41 1.35 -0.95 -2.65 112.91 115.07 1i37 h THR 755 Ca -0.04 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1i37 h THR 755 Cb 0.31 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1i37 h THR 755 CO 0.07 0.02 0.00 0.59 -0.25 0.00 0.00 175.52 175.95 1i37 n ASN 756 N -3.96 0.00 -1.13 5.36 4.13 -0.65 -4.67 115.26 114.33 1i37 n ASN 756 Ca -0.03 0.05 0.03 0.00 1.68 0.00 0.00 54.58 56.30 1i37 n ASN 756 Cb 0.11 -0.21 0.18 0.00 -1.54 0.00 0.00 39.78 38.31 1i37 n ASN 756 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1i37 n VAL 757 N -1.76 1.25 -2.61 2.41 0.24 -0.43 -4.88 118.33 112.55 1i37 n VAL 757 Ca 0.00 -0.63 -0.08 0.00 -2.04 0.00 0.00 64.34 61.59 1i37 n VAL 757 Cb 0.00 -0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 31.95 1i37 n VAL 757 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1i37 n ASN 758 N 0.26 -2.33 -0.59 -1.34 4.13 -0.78 -1.15 115.26 113.47 1i37 n ASN 758 Ca 0.13 0.26 -0.07 0.00 1.68 0.00 0.00 54.58 56.58 1i37 n ASN 758 Cb 0.68 -2.05 -0.03 0.00 -1.54 0.00 0.00 39.78 36.84 1i37 n ASN 758 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1i37 n SER 759 N -1.70 -3.84 0.07 6.41 7.64 -0.41 -4.92 113.62 116.87 1i37 n SER 759 Ca -0.05 0.17 -0.09 0.00 1.01 0.00 0.00 58.87 59.91 1i37 n SER 759 Cb 0.54 -2.06 -0.12 0.00 -1.01 0.00 0.00 64.21 61.56 1i37 n SER 759 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1i37 h ARG 760 N 0.00 0.06 -4.54 1.43 2.43 -1.39 -3.46 114.38 108.90 1i37 h ARG 760 Ca -0.15 -0.10 -0.22 0.00 -0.81 0.00 0.00 59.98 58.69 1i37 h ARG 760 Cb 0.52 0.04 -0.15 0.00 -0.42 0.00 0.00 29.97 29.96 1i37 h ARG 760 CO 0.22 1.05 -0.63 -1.64 -1.51 0.00 0.00 179.97 177.46 1i37 s MET 761 N -2.70 1.12 -0.41 0.20 -1.94 -1.26 -4.92 119.30 109.39 1i37 s MET 761 Ca -0.00 -1.57 -0.18 0.00 -1.71 0.00 0.00 55.69 52.22 1i37 s MET 761 Cb 0.09 0.26 0.02 0.00 2.01 0.00 0.00 34.83 37.21 1i37 s MET 761 CO 0.83 -0.35 0.50 -0.51 -0.01 0.00 0.00 175.02 175.49 1i37 s LEU 762 N -3.13 4.63 -1.24 -0.03 1.43 -1.07 -4.80 118.68 114.47 1i37 s LEU 762 Ca 0.35 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.85 1i37 s LEU 762 Cb 0.07 -2.52 0.10 0.00 0.03 0.00 0.00 46.19 43.87 1i37 s LEU 762 CO 0.09 -0.60 1.62 -0.47 0.23 0.00 0.00 176.35 177.22 1i37 s TYR 763 N 2.37 2.97 0.14 0.29 5.04 -1.26 -2.05 117.35 124.84 1i37 s TYR 763 Ca 0.16 -1.70 -0.10 0.00 -2.44 0.00 0.00 57.07 52.99 1i37 s TYR 763 Cb -0.16 -4.62 -0.06 0.00 0.35 0.00 0.00 41.96 37.47 1i37 s TYR 763 CO 0.15 -1.70 1.40 0.74 -1.34 0.00 0.00 175.55 174.81 1i37 h PHE 764 N 7.65 1.01 -2.86 4.97 -1.00 -1.68 -3.40 116.94 121.63 1i37 h PHE 764 Ca 0.39 -0.38 0.05 0.00 2.81 0.00 0.00 57.97 60.84 1i37 h PHE 764 Cb 0.89 -0.18 -0.09 0.00 3.61 0.00 0.00 35.95 40.17 1i37 h PHE 764 CO 1.32 1.19 0.28 0.00 -1.61 0.00 0.00 178.31 179.49 1i37 s ALA 765 N -4.01 -1.47 0.49 2.45 0.00 -0.72 -4.94 121.76 113.55 1i37 s ALA 765 Ca -0.10 0.16 0.20 0.00 0.00 0.00 0.00 51.96 52.22 1i37 s ALA 765 Cb 0.10 0.80 1.31 0.00 0.00 0.00 0.00 23.12 25.33 1i37 s ALA 765 CO 0.88 -0.91 2.10 -1.35 0.00 0.00 0.00 175.76 176.48 1i37 h PRO 766 N 2.00 0.00 -0.53 0.00 0.11 -1.90 -2.31 132.00 129.37 1i37 h PRO 766 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1i37 h PRO 766 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1i37 h PRO 766 CO 0.30 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 177.78 1i37 n ASP 767 N -4.16 4.20 -3.04 -2.05 5.75 -1.26 -4.65 116.55 111.33 1i37 n ASP 767 Ca -0.03 -2.43 -0.15 0.00 -0.01 0.00 0.00 54.79 52.18 1i37 n ASP 767 Cb 0.17 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 39.73 1i37 n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1i37 n LEU 768 N 0.75 -2.00 -4.20 -2.12 7.94 -0.87 -4.47 117.00 112.03 1i37 n LEU 768 Ca 0.22 -3.65 -0.34 0.00 -1.11 0.00 0.00 56.01 51.13 1i37 n LEU 768 Cb 0.78 0.67 -0.15 0.00 0.53 0.00 0.00 43.42 45.26 1i37 n LEU 768 CO 0.19 1.92 -0.44 0.54 -1.11 0.00 0.00 177.39 178.49 1i37 s VAL 769 N 0.40 2.76 0.11 1.96 0.11 -1.25 -1.76 120.40 122.72 1i37 s VAL 769 Ca 0.32 -0.88 -0.28 0.00 -2.93 0.00 0.00 61.98 58.21 1i37 s VAL 769 Cb 0.04 -2.31 -0.06 0.00 -1.53 0.00 0.00 36.38 32.53 1i37 s VAL 769 CO -0.13 0.35 0.87 -0.36 -3.33 0.00 0.00 175.10 172.50 1i37 s PHE 770 N 1.35 3.82 0.53 1.54 0.40 -0.87 -4.94 117.98 119.80 1i37 s PHE 770 Ca 0.03 1.68 0.05 0.00 -0.60 0.00 0.00 56.93 58.09 1i37 s PHE 770 Cb -0.15 -2.93 0.02 0.00 0.51 0.00 0.00 43.02 40.47 1i37 s PHE 770 CO -0.07 0.29 0.31 0.54 0.70 0.00 0.00 175.22 177.00 1i37 s ASN 771 N -0.28 4.53 0.39 1.36 2.20 -1.26 -2.61 114.94 119.28 1i37 s ASN 771 Ca 0.42 -1.31 0.12 0.00 -0.94 0.00 0.00 52.86 51.15 1i37 s ASN 771 Cb -0.23 0.37 0.94 0.00 -2.00 0.00 0.00 41.25 40.34 1i37 s ASN 771 CO 0.27 -1.02 1.91 -0.33 -2.94 0.00 0.00 177.10 174.99 1i37 h GLU 772 N 0.91 0.53 -0.41 3.55 4.39 -1.98 0.53 114.58 122.10 1i37 h GLU 772 Ca -0.39 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.21 1i37 h GLU 772 Cb 1.30 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1i37 h GLU 772 CO 0.61 0.35 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.87 1i37 h TYR 773 N 0.55 0.80 -0.16 4.33 3.20 -1.99 -1.55 116.97 122.15 1i37 h TYR 773 Ca 0.39 -0.15 -0.13 0.00 3.14 0.00 0.00 58.73 61.98 1i37 h TYR 773 Cb 0.74 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1i37 h TYR 773 CO -0.00 0.82 -0.48 0.00 -1.64 0.00 0.00 178.16 176.86 1i37 h ARG 774 N 0.56 0.40 -0.95 1.82 -0.00 -1.25 0.39 114.38 115.35 1i37 h ARG 774 Ca 0.11 -0.22 0.04 0.00 -0.50 0.00 0.00 59.98 59.40 1i37 h ARG 774 Cb 0.51 0.01 -0.06 0.00 0.00 0.00 0.00 29.97 30.44 1i37 h ARG 774 CO 0.02 0.80 0.62 0.52 0.00 0.00 0.00 179.97 181.93 1i37 h MET 775 N 0.32 1.16 0.30 0.04 2.86 0.20 -3.12 114.93 116.69 1i37 h MET 775 Ca 0.02 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1i37 h MET 775 Cb 0.96 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1i37 h MET 775 CO 0.08 0.77 -0.14 1.25 1.06 0.00 0.00 176.91 179.93 1i37 h HIS 776 N 1.20 -0.37 -0.44 -0.22 -0.00 -1.04 -1.93 115.15 112.34 1i37 h HIS 776 Ca 0.38 -0.01 -0.34 0.00 -0.00 0.00 0.00 60.37 60.40 1i37 h HIS 776 Cb 0.00 0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.50 1i37 h HIS 776 CO -0.01 -0.23 1.12 1.63 -0.00 0.00 0.00 177.93 180.44 1i37 n LYS 777 N -4.69 1.60 0.00 5.26 4.76 0.10 -0.65 118.16 124.54 1i37 n LYS 777 Ca -0.05 -2.45 0.00 0.00 -2.87 0.00 0.00 58.31 52.94 1i37 n LYS 777 Cb 0.16 -3.71 0.00 0.00 -1.84 0.00 0.00 35.03 29.64 1i37 n LYS 777 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1i37 n SER 778 N 14.18 0.00 -2.07 4.39 3.41 -1.24 -4.59 113.62 127.71 1i37 n SER 778 Ca 0.45 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.89 1i37 n SER 778 Cb 0.46 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 1i37 n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1i37 n ARG 779 N 0.00 -1.70 -0.07 4.33 1.74 0.17 -4.82 116.66 116.31 1i37 n ARG 779 Ca 0.00 0.92 0.02 0.00 -0.77 0.00 0.00 57.85 58.02 1i37 n ARG 779 Cb 0.00 -5.44 0.06 0.00 -1.02 0.00 0.00 32.46 26.06 1i37 n ARG 779 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1i37 n MET 780 N -2.64 2.91 -2.08 5.56 2.81 -1.23 -4.99 117.12 117.46 1i37 n MET 780 Ca -0.20 -1.73 -0.42 0.00 -1.81 0.00 0.00 57.70 53.54 1i37 n MET 780 Cb 0.63 -1.12 -0.03 0.00 -0.71 0.00 0.00 33.22 31.99 1i37 n MET 780 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1i37 s TYR 781 N -1.08 2.61 0.00 2.03 6.04 -0.73 -1.41 117.35 124.81 1i37 s TYR 781 Ca 0.09 0.56 0.00 0.00 0.04 0.00 0.00 57.07 57.76 1i37 s TYR 781 Cb 0.05 -3.81 0.00 0.00 -1.04 0.00 0.00 41.96 37.16 1i37 s TYR 781 CO 0.05 -3.16 0.00 0.45 -1.54 0.00 0.00 175.55 171.35 1i37 n SER 782 N 5.60 0.00 -0.18 4.32 2.88 -1.26 -4.80 113.62 120.18 1i37 n SER 782 Ca 0.15 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.61 1i37 n SER 782 Cb 0.42 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.90 1i37 n SER 782 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1i37 h GLN 783 N 0.00 0.72 -0.30 -1.46 7.50 -1.83 0.27 115.11 120.02 1i37 h GLN 783 Ca 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 1i37 h GLN 783 Cb 0.00 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.38 1i37 h GLN 783 CO 0.00 0.59 0.13 0.00 -1.50 0.00 0.00 178.83 178.05 1i37 h VAL 785 N 0.41 1.26 -0.36 0.00 2.07 -1.27 -0.23 116.25 118.13 1i37 h VAL 785 Ca 0.10 -1.21 -0.15 0.00 0.82 0.00 0.00 66.70 66.27 1i37 h VAL 785 Cb 0.06 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1i37 h VAL 785 CO -0.01 0.43 -0.37 0.03 0.02 0.00 0.00 177.57 177.66 1i37 h ARG 786 N 0.90 0.85 -0.14 1.57 3.08 -0.16 0.06 114.38 120.54 1i37 h ARG 786 Ca 0.15 -0.43 -0.17 0.00 0.07 0.00 0.00 59.98 59.60 1i37 h ARG 786 Cb 0.62 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1i37 h ARG 786 CO 0.04 1.07 -0.62 0.52 -1.07 0.00 0.00 179.97 179.91 1i37 h MET 787 N 0.70 0.49 -0.46 0.04 2.86 -1.04 -0.46 114.93 117.06 1i37 h MET 787 Ca 0.06 -0.34 -0.11 0.00 -2.06 0.00 0.00 59.70 57.26 1i37 h MET 787 Cb 0.94 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1i37 h MET 787 CO 0.09 0.96 -0.14 -0.09 1.06 0.00 0.00 176.91 178.78 1i37 h ARG 788 N 0.36 0.85 -0.72 1.72 2.43 -0.96 -1.69 114.38 116.37 1i37 h ARG 788 Ca -0.01 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 1i37 h ARG 788 Cb 1.17 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 1i37 h ARG 788 CO 0.11 0.94 0.25 1.25 -1.51 0.00 0.00 179.97 181.01 1i37 h HIS 789 N 0.76 1.11 0.29 2.20 2.76 -0.39 -0.34 115.15 121.54 1i37 h HIS 789 Ca 0.12 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1i37 h HIS 789 Cb 0.66 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1i37 h HIS 789 CO 0.04 0.87 -0.14 1.25 -1.30 0.00 0.00 177.93 178.64 1i37 h LEU 790 N 1.05 -0.33 -0.92 0.26 6.46 -0.83 -1.48 115.31 119.52 1i37 h LEU 790 Ca 0.24 -0.06 0.13 0.00 -0.12 0.00 0.00 57.88 58.07 1i37 h LEU 790 Cb 0.25 0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 40.18 1i37 h LEU 790 CO -0.01 -0.15 0.53 0.28 -0.62 0.00 0.00 178.44 178.47 1i37 h SER 791 N -0.49 0.73 -0.84 1.25 0.02 -1.10 0.13 113.55 113.25 1i37 h SER 791 Ca -0.04 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1i37 h SER 791 Cb 0.37 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1i37 h SER 791 CO 0.07 0.36 0.56 1.56 -1.14 0.00 0.00 176.83 178.23 1i37 h GLN 792 N 0.80 1.03 -0.63 3.45 4.20 -0.57 -1.90 115.11 121.49 1i37 h GLN 792 Ca 0.48 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.12 1i37 h GLN 792 Cb 0.57 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1i37 h GLN 792 CO -0.31 0.68 0.37 0.93 -0.67 0.00 0.00 178.83 179.84 1i37 h GLU 793 N 1.06 0.86 -0.25 1.46 4.39 0.30 0.64 114.58 123.04 1i37 h GLU 793 Ca 0.33 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 60.03 1i37 h GLU 793 Cb 0.01 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1i37 h GLU 793 CO -0.09 0.61 0.21 0.74 -1.16 0.00 0.00 179.01 179.32 1i37 h PHE 794 N 0.87 0.00 0.00 4.33 0.04 -1.13 0.20 116.94 121.26 1i37 h PHE 794 Ca 0.23 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 1i37 h PHE 794 Cb -0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1i37 h PHE 794 CO 0.00 0.00 -0.19 0.78 -0.60 0.00 0.00 178.31 178.31 1i37 h GLY 795 N 0.00 0.00 -0.10 -1.45 0.00 -1.01 0.60 103.07 101.11 1i37 h GLY 795 Ca 0.12 0.00 0.27 0.00 0.00 0.00 0.00 47.33 47.72 1i37 h GLY 795 CO -0.00 0.00 0.68 1.49 0.00 0.00 0.00 176.54 178.71 1i37 h TRP 796 N -1.00 0.54 -0.00 5.60 6.55 -0.62 0.16 115.95 127.18 1i37 h TRP 796 Ca -0.02 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1i37 h TRP 796 Cb 0.30 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.45 1i37 h TRP 796 CO -0.02 0.06 -0.80 1.28 -1.05 0.00 0.00 178.44 177.92 1i37 n LEU 797 N -4.55 1.26 -3.46 -4.49 4.77 0.67 -5.00 117.00 106.20 1i37 n LEU 797 Ca 0.24 -0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 55.47 1i37 n LEU 797 Cb 0.90 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 42.03 1i37 n LEU 797 CO 0.28 0.28 -0.02 0.00 -1.33 0.00 0.00 177.39 176.60 1i37 n GLN 798 N -1.06 -2.14 -2.35 3.23 6.02 0.54 -4.89 117.38 116.73 1i37 n GLN 798 Ca 0.06 0.68 -0.41 0.00 -0.01 0.00 0.00 57.00 57.32 1i37 n GLN 798 Cb 0.37 -5.10 -0.03 0.00 1.02 0.00 0.00 30.24 26.50 1i37 n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1i37 s ILE 799 N -3.44 3.39 0.24 5.09 -1.09 0.13 -5.02 121.20 120.51 1i37 s ILE 799 Ca 0.42 1.25 -0.27 0.00 -2.23 0.00 0.00 60.65 59.82 1i37 s ILE 799 Cb -0.10 -3.80 -0.09 0.00 -1.58 0.00 0.00 42.46 36.89 1i37 s ILE 799 CO 0.79 0.24 0.89 -0.89 -1.23 0.00 0.00 174.94 174.74 1i37 s THR 800 N -0.46 4.20 0.47 2.92 2.01 -1.26 -4.94 115.64 118.58 1i37 s THR 800 Ca 0.51 1.88 0.22 0.00 0.31 0.00 0.00 61.69 64.61 1i37 s THR 800 Cb -0.34 -4.17 0.41 0.00 0.01 0.00 0.00 72.50 68.41 1i37 s THR 800 CO 0.40 0.39 1.90 -0.65 -0.69 0.00 0.00 174.62 175.97 1i37 h PRO 801 N 3.88 0.22 0.03 4.92 0.11 -1.99 0.18 132.00 139.35 1i37 h PRO 801 Ca -0.46 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 1i37 h PRO 801 Cb 1.20 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1i37 h PRO 801 CO 0.67 0.15 -1.01 1.96 -0.21 0.00 0.00 178.00 179.55 1i37 h GLN 802 N 0.23 0.09 -0.43 1.05 7.50 -1.98 -1.05 115.11 120.50 1i37 h GLN 802 Ca 0.40 -0.13 -0.09 0.00 0.50 0.00 0.00 58.65 59.33 1i37 h GLN 802 Cb 1.23 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.79 1i37 h GLN 802 CO -0.09 1.01 -0.08 0.93 -1.50 0.00 0.00 178.83 179.10 1i37 h GLU 803 N 0.03 0.83 -0.08 1.46 5.08 -1.40 -2.04 114.58 118.46 1i37 h GLU 803 Ca -0.04 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.02 1i37 h GLU 803 Cb 1.73 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1i37 h GLU 803 CO 0.14 0.93 0.02 0.35 -1.00 0.00 0.00 179.01 179.46 1i37 h PHE 804 N 0.66 0.04 -0.42 4.33 3.57 -1.01 0.55 116.94 124.65 1i37 h PHE 804 Ca 0.11 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1i37 h PHE 804 Cb 0.61 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 1i37 h PHE 804 CO 0.05 0.02 0.17 -0.07 -2.23 0.00 0.00 178.31 176.25 1i37 h LEU 805 N 0.06 0.21 -0.21 0.59 3.38 -1.04 0.86 115.31 119.16 1i37 h LEU 805 Ca 0.03 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1i37 h LEU 805 Cb 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1i37 h LEU 805 CO -0.04 0.16 -0.05 0.00 0.09 0.00 0.00 178.44 178.60 1i37 h MET 807 N 0.12 1.20 -0.47 0.00 2.86 0.34 -1.42 114.93 117.55 1i37 h MET 807 Ca 0.05 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.51 1i37 h MET 807 Cb 0.50 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1i37 h MET 807 CO 0.02 0.80 -0.10 -0.22 1.06 0.00 0.00 176.91 178.47 1i37 h LYS 808 N 1.23 0.91 -0.51 1.72 3.64 -0.74 -2.66 116.57 120.16 1i37 h LYS 808 Ca 0.33 -0.34 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1i37 h LYS 808 Cb -0.13 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 1i37 h LYS 808 CO -0.07 0.99 0.28 0.00 -2.27 0.00 0.00 179.45 178.38 1i37 h ALA 809 N 0.89 0.65 0.00 5.00 0.00 -0.69 -2.24 119.26 122.87 1i37 h ALA 809 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1i37 h ALA 809 Cb 0.65 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1i37 h ALA 809 CO 0.04 -0.05 -0.04 -0.07 0.00 0.00 0.00 179.25 179.14 1i37 h LEU 810 N 0.55 0.00 -1.48 0.00 3.38 -1.15 -2.44 115.31 114.17 1i37 h LEU 810 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1i37 h LEU 810 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1i37 h LEU 810 CO -0.12 0.04 -0.06 -0.07 0.09 0.00 0.00 178.44 178.32 1i37 h LEU 811 N 0.00 0.00 -1.08 1.67 3.38 -1.04 -2.33 115.31 115.91 1i37 h LEU 811 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1i37 h LEU 811 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1i37 h LEU 811 CO 0.00 0.06 -0.25 0.25 0.09 0.00 0.00 178.44 178.59 1i37 h LEU 812 N 0.00 0.00 -3.96 1.67 5.85 -1.48 -3.12 115.31 114.26 1i37 h LEU 812 Ca -0.00 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 58.10 1i37 h LEU 812 Cb 0.53 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.20 1i37 h LEU 812 CO 0.01 0.25 -0.01 0.49 -0.34 0.00 0.00 178.44 178.84 1i37 n PHE 813 N -3.43 3.00 -0.42 1.25 3.72 -0.88 -4.63 117.46 116.08 1i37 n PHE 813 Ca 0.00 -2.62 0.02 0.00 -0.05 0.00 0.00 57.45 54.80 1i37 n PHE 813 Cb 0.44 -0.83 0.03 0.00 -0.94 0.00 0.00 39.48 38.18 1i37 n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1i37 n SER 814 N -0.77 1.79 -3.42 4.37 7.64 -1.18 -4.95 113.62 117.10 1i37 n SER 814 Ca 0.52 -2.14 -0.03 0.00 1.01 0.00 0.00 58.87 58.23 1i37 n SER 814 Cb 0.78 -0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.83 1i37 n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1i37 s ILE 815 N -1.28 -0.82 0.13 0.44 2.07 -1.26 -0.65 121.20 119.83 1i37 s ILE 815 Ca 0.07 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.34 1i37 s ILE 815 Cb 0.06 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 1i37 s ILE 815 CO 0.01 -0.02 -0.01 0.27 -1.91 0.00 0.00 174.94 173.28 1i37 s ILE 816 N 2.73 0.50 0.60 2.00 -4.36 -0.54 -4.78 121.20 117.35 1i37 s ILE 816 Ca 0.08 -1.93 -0.19 0.00 -0.26 0.00 0.00 60.65 58.34 1i37 s ILE 816 Cb -0.14 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 1i37 s ILE 816 CO -0.17 -0.63 1.29 -2.84 0.24 0.00 0.00 174.94 172.83 1i37 s PRO 817 N -3.93 2.83 0.35 0.37 0.02 -1.26 -0.77 135.00 132.62 1i37 s PRO 817 Ca 0.19 2.06 0.03 0.00 0.02 0.00 0.00 61.00 63.30 1i37 s PRO 817 Cb 0.06 -1.99 0.66 0.00 0.02 0.00 0.00 34.50 33.25 1i37 s PRO 817 CO -0.00 -1.38 1.98 -0.24 -0.33 0.00 0.00 177.00 177.03 1i37 h VAL 818 N 0.90 1.16 -0.37 3.83 3.04 -0.50 -1.90 116.25 122.41 1i37 h VAL 818 Ca -0.51 -0.41 -0.03 0.00 -1.01 0.00 0.00 66.70 64.74 1i37 h VAL 818 Cb 1.32 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 31.03 1i37 h VAL 818 CO 0.55 0.18 0.04 -0.90 -1.01 0.00 0.00 177.57 176.43 1i37 n ASP 819 N -4.40 3.78 -0.39 3.17 5.75 -1.26 -5.02 116.55 118.17 1i37 n ASP 819 Ca 0.05 -2.60 0.05 0.00 -0.01 0.00 0.00 54.79 52.28 1i37 n ASP 819 Cb 0.10 -0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 39.55 1i37 n ASP 819 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i37 n GLY 820 N 0.28 -2.21 4.01 6.12 0.00 -0.71 -5.00 105.19 107.68 1i37 n GLY 820 Ca 0.19 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.59 1i37 n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i37 s LEU 821 N -5.54 2.97 0.10 0.99 1.43 -1.26 -4.67 118.68 112.71 1i37 s LEU 821 Ca 0.00 -0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 52.25 1i37 s LEU 821 Cb 0.00 -1.73 -0.11 0.00 0.03 0.00 0.00 46.19 44.38 1i37 s LEU 821 CO 0.00 -1.80 1.65 0.11 0.23 0.00 0.00 176.35 176.54 1i37 h LYS 822 N -0.39 -0.48 -3.30 1.70 1.79 -1.97 -3.24 116.57 110.69 1i37 h LYS 822 Ca -0.33 0.03 -0.67 0.00 -2.18 0.00 0.00 60.65 57.50 1i37 h LYS 822 Cb 1.27 0.11 -0.38 0.00 -1.58 0.00 0.00 32.23 31.65 1i37 h LYS 822 CO 0.39 -0.32 -0.33 -0.80 -1.08 0.00 0.00 179.45 177.31 1i37 s ASN 823 N -4.78 5.37 0.51 0.86 -0.87 -1.26 -4.88 114.94 109.89 1i37 s ASN 823 Ca -0.16 -3.56 0.31 0.00 -1.57 0.00 0.00 52.86 47.89 1i37 s ASN 823 Cb 0.07 -1.80 1.15 0.00 -0.02 0.00 0.00 41.25 40.65 1i37 s ASN 823 CO 0.65 -0.19 1.90 -0.61 -2.57 0.00 0.00 177.10 176.28 1i37 h GLN 824 N 6.04 0.00 0.00 -0.60 5.75 -1.95 -3.14 115.11 121.22 1i37 h GLN 824 Ca 0.10 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 1i37 h GLN 824 Cb 0.83 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 1i37 h GLN 824 CO 0.77 0.00 -0.36 -0.22 -2.65 0.00 0.00 178.83 176.37 1i37 h LYS 825 N 0.00 0.00 0.02 1.69 3.64 -1.92 -2.37 116.57 117.63 1i37 h LYS 825 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1i37 h LYS 825 Cb 0.60 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1i37 h LYS 825 CO 0.00 0.36 -1.17 0.74 -2.27 0.00 0.00 179.45 177.11 1i37 h PHE 826 N 0.00 0.09 -0.28 1.91 0.04 -1.90 -2.84 116.94 113.96 1i37 h PHE 826 Ca -0.00 -0.07 -0.17 0.00 2.80 0.00 0.00 57.97 60.54 1i37 h PHE 826 Cb 1.10 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.24 1i37 h PHE 826 CO 0.00 1.06 -0.47 0.35 -0.60 0.00 0.00 178.31 178.65 1i37 h PHE 827 N 0.01 1.02 -0.51 -0.55 3.57 -1.58 -0.50 116.94 118.39 1i37 h PHE 827 Ca -0.08 -0.35 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 1i37 h PHE 827 Cb 1.85 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.37 1i37 h PHE 827 CO 0.01 1.16 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.80 1i37 h ASP 828 N 0.58 0.85 0.45 0.41 3.32 -1.49 0.37 116.42 120.91 1i37 h ASP 828 Ca 0.02 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1i37 h ASP 828 Cb 1.07 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1i37 h ASP 828 CO 0.11 0.91 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.24 1i37 h GLU 829 N 0.81 -0.59 -0.34 3.56 4.81 -1.47 -1.41 114.58 119.96 1i37 h GLU 829 Ca 0.15 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1i37 h GLU 829 Cb 0.50 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 1i37 h GLU 829 CO 0.02 -0.29 -0.12 1.25 -0.73 0.00 0.00 179.01 179.15 1i37 h LEU 830 N -0.86 -0.41 -0.40 1.64 5.85 -0.88 -0.95 115.31 119.30 1i37 h LEU 830 Ca -0.06 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1i37 h LEU 830 Cb 0.57 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1i37 h LEU 830 CO 0.10 -0.15 0.17 -0.09 -0.34 0.00 0.00 178.44 178.13 1i37 h ARG 831 N -0.04 0.59 -0.68 1.25 2.43 -0.30 -2.18 114.38 115.45 1i37 h ARG 831 Ca 0.17 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1i37 h ARG 831 Cb 0.30 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1i37 h ARG 831 CO -0.38 0.55 0.42 1.98 -1.51 0.00 0.00 179.97 181.03 1i37 h MET 832 N 0.50 0.80 -0.58 0.20 4.05 -0.69 -1.71 114.93 117.50 1i37 h MET 832 Ca 0.13 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1i37 h MET 832 Cb 0.17 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1i37 h MET 832 CO -0.01 0.53 0.29 -0.91 0.23 0.00 0.00 176.91 177.04 1i37 h ASN 833 N 0.83 0.74 0.24 1.39 -0.26 -0.99 -2.32 115.58 115.21 1i37 h ASN 833 Ca 0.27 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.86 1i37 h ASN 833 Cb 0.02 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1i37 h ASN 833 CO -0.11 0.65 -0.19 1.88 -1.06 0.00 0.00 177.43 178.60 1i37 h TYR 834 N 0.78 0.00 -0.21 1.19 0.05 -0.80 -1.54 116.97 116.44 1i37 h TYR 834 Ca 0.20 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.81 1i37 h TYR 834 Cb 0.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 1i37 h TYR 834 CO -0.01 0.19 -0.56 0.82 -1.05 0.00 0.00 178.16 177.56 1i37 h ILE 835 N 0.00 1.31 -0.09 -2.88 2.04 -1.06 -2.34 117.51 114.49 1i37 h ILE 835 Ca -0.00 -1.79 -0.11 0.00 1.00 0.00 0.00 64.86 63.96 1i37 h ILE 835 Cb 0.36 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1i37 h ILE 835 CO 0.02 0.56 -0.44 0.11 0.00 0.00 0.00 178.15 178.41 1i37 h LYS 836 N 0.50 0.20 -0.05 2.37 1.79 -0.77 -2.06 116.57 118.55 1i37 h LYS 836 Ca 0.01 -0.10 -0.18 0.00 -2.18 0.00 0.00 60.65 58.20 1i37 h LYS 836 Cb 1.12 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 1i37 h LYS 836 CO 0.11 0.61 -0.74 0.93 -1.08 0.00 0.00 179.45 179.27 1i37 h GLU 837 N 0.17 0.32 0.14 3.15 4.39 -1.20 -0.64 114.58 120.90 1i37 h GLU 837 Ca 0.01 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1i37 h GLU 837 Cb 0.85 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1i37 h GLU 837 CO 0.07 0.92 -0.07 1.25 -1.16 0.00 0.00 179.01 180.02 1i37 h LEU 838 N 0.21 -0.16 -1.49 1.33 5.85 -1.17 0.16 115.31 120.05 1i37 h LEU 838 Ca -0.03 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1i37 h LEU 838 Cb 1.32 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1i37 h LEU 838 CO 0.12 0.02 0.19 -0.78 -0.34 0.00 0.00 178.44 177.65 1i37 h ASP 839 N -0.33 0.48 -0.52 1.25 -0.00 -1.36 -2.66 116.42 113.27 1i37 h ASP 839 Ca -0.02 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.03 56.95 1i37 h ASP 839 Cb 0.26 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 39.45 1i37 h ASP 839 CO 0.03 0.41 0.22 -0.09 -0.00 0.00 0.00 179.24 179.81 1i37 h ARG 840 N 0.54 0.78 0.00 0.28 1.12 -0.40 0.10 114.38 116.80 1i37 h ARG 840 Ca 0.14 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1i37 h ARG 840 Cb 0.05 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 29.88 1i37 h ARG 840 CO -0.02 0.68 0.00 0.44 -3.11 0.00 0.00 179.97 177.96 1i37 n ILE 841 N -4.54 0.00 -0.07 1.20 -6.64 -0.02 -3.06 119.36 106.23 1i37 n ILE 841 Ca 0.02 0.00 -0.13 0.00 -1.77 0.00 0.00 62.75 60.87 1i37 n ILE 841 Cb 0.15 -0.38 -0.06 0.00 -1.44 0.00 0.00 39.64 37.91 1i37 n ILE 841 CO 0.00 0.00 0.00 2.30 -1.77 0.00 0.00 176.55 177.08 1i37 n ILE 842 N -0.85 0.82 -1.83 7.28 -5.35 -0.97 -4.65 119.36 113.80 1i37 n ILE 842 Ca 0.15 -0.26 -0.21 0.00 -0.27 0.00 0.00 62.75 62.16 1i37 n ILE 842 Cb 0.07 -1.33 -0.07 0.00 -1.74 0.00 0.00 39.64 36.57 1i37 n ILE 842 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1i37 s ALA 843 N -2.28 1.18 0.00 -1.28 0.00 -0.01 -2.58 121.76 116.79 1i37 s ALA 843 Ca -0.20 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1i37 s ALA 843 Cb 0.06 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1i37 s ALA 843 CO 0.30 -5.68 0.00 0.00 0.00 0.00 0.00 175.76 170.38 1i37 n LYS 845 N 0.00 0.25 -0.93 0.00 -0.00 -1.26 -4.32 118.16 111.91 1i37 n LYS 845 Ca 0.00 -0.06 -0.18 0.00 -0.00 0.00 0.00 58.31 58.07 1i37 n LYS 845 Cb 0.00 -1.52 0.04 0.00 -0.00 0.00 0.00 35.03 33.55 1i37 n LYS 845 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1i37 n ARG 846 N -1.81 1.88 0.00 -1.58 -4.01 -1.19 -4.80 116.66 105.15 1i37 n ARG 846 Ca 0.01 -1.73 0.00 0.00 -1.04 0.00 0.00 57.85 55.10 1i37 n ARG 846 Cb 0.42 -1.68 0.00 0.00 -3.04 0.00 0.00 32.46 28.16 1i37 n ARG 846 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1i37 n LYS 847 N 0.20 0.00 -0.29 2.89 4.76 -1.06 -4.49 118.16 120.17 1i37 n LYS 847 Ca 0.33 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 1i37 n LYS 847 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 1i37 n LYS 847 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1i37 n ASN 848 N 0.00 0.00 0.00 4.39 4.13 -1.26 -4.43 115.26 118.09 1i37 n ASN 848 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1i37 n ASN 848 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1i37 n ASN 848 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1i37 n PRO 849 N 0.00 0.00 -0.23 3.52 -0.06 -1.26 -0.07 135.00 136.90 1i37 n PRO 849 Ca 0.00 0.00 0.07 0.00 -0.06 0.00 0.00 63.50 63.51 1i37 n PRO 849 Cb 0.00 0.00 0.20 0.00 -0.06 0.00 0.00 33.50 33.64 1i37 n PRO 849 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 175.50 175.69 1i37 n THR 850 N 0.00 0.98 0.13 0.52 -2.24 -1.26 -4.64 114.28 107.77 1i37 n THR 850 Ca 0.00 -0.99 -0.06 0.00 -2.27 0.00 0.00 64.05 60.73 1i37 n THR 850 Cb 0.00 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1i37 n THR 850 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1i37 h SER 851 N 2.72 -0.32 -0.26 3.42 0.87 -0.87 -3.29 113.55 115.81 1i37 h SER 851 Ca 0.00 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1i37 h SER 851 Cb 0.81 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 1i37 h SER 851 CO 0.00 0.01 -0.09 0.00 -0.53 0.00 0.00 176.83 176.22 1i37 h SER 853 N 0.00 0.44 -0.59 0.00 0.02 -1.87 -2.80 113.55 108.75 1i37 h SER 853 Ca 0.10 -0.58 -0.08 0.00 -0.84 0.00 0.00 61.79 60.39 1i37 h SER 853 Cb 0.17 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1i37 h SER 853 CO -0.26 0.94 0.06 -0.09 -1.14 0.00 0.00 176.83 176.34 1i37 h ARG 854 N -0.04 1.00 -0.87 3.45 2.43 0.74 -2.27 114.38 118.83 1i37 h ARG 854 Ca -0.00 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1i37 h ARG 854 Cb 0.88 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1i37 h ARG 854 CO 0.06 0.96 0.55 -0.09 -1.51 0.00 0.00 179.97 179.94 1i37 h ARG 855 N 0.89 1.16 0.00 0.20 9.65 0.07 -0.92 114.38 125.43 1i37 h ARG 855 Ca 0.17 -0.09 -0.17 0.00 -1.10 0.00 0.00 59.98 58.80 1i37 h ARG 855 Cb 0.47 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1i37 h ARG 855 CO 0.02 0.79 -0.81 0.35 2.80 0.00 0.00 179.97 183.12 1i37 h PHE 856 N 1.19 0.00 -0.25 2.20 3.57 -1.40 -2.48 116.94 119.77 1i37 h PHE 856 Ca 0.32 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.69 1i37 h PHE 856 Cb -0.10 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 1i37 h PHE 856 CO 0.00 0.81 -0.34 -0.92 -2.23 0.00 0.00 178.31 175.63 1i37 h TYR 857 N 0.00 0.83 0.00 0.41 3.20 -0.83 -2.57 116.97 118.01 1i37 h TYR 857 Ca -0.01 -0.27 -0.12 0.00 3.14 0.00 0.00 58.73 61.47 1i37 h TYR 857 Cb 1.57 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 1i37 h TYR 857 CO 0.00 1.03 -0.59 -0.56 -1.64 0.00 0.00 178.16 176.40 1i37 h GLN 858 N 0.40 0.00 -0.00 1.82 3.07 -1.21 -1.42 115.11 117.76 1i37 h GLN 858 Ca 0.03 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.53 1i37 h GLN 858 Cb 0.93 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.49 1i37 h GLN 858 CO 0.08 0.59 -0.97 -0.07 0.09 0.00 0.00 178.83 178.55 1i37 h LEU 859 N 0.00 0.64 -0.81 0.06 3.38 -1.48 0.94 115.31 118.05 1i37 h LEU 859 Ca -0.01 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 1i37 h LEU 859 Cb 1.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1i37 h LEU 859 CO 0.08 1.31 -0.20 0.71 0.09 0.00 0.00 178.44 180.43 1i37 h THR 860 N 0.28 0.43 0.18 0.22 1.35 -1.41 -0.34 112.91 113.62 1i37 h THR 860 Ca -0.09 -1.19 -0.30 0.00 -0.55 0.00 0.00 66.41 64.27 1i37 h THR 860 Cb 1.61 1.87 0.02 0.00 -1.73 0.00 0.00 68.15 69.92 1i37 h THR 860 CO 0.17 0.20 -1.37 0.50 -0.25 0.00 0.00 175.52 174.78 1i37 h LYS 861 N 0.00 0.39 -0.18 4.72 1.63 -1.11 -2.51 116.57 119.51 1i37 h LYS 861 Ca -0.00 -0.66 -0.14 0.00 -0.85 0.00 0.00 60.65 59.00 1i37 h LYS 861 Cb 0.86 0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.72 1i37 h LYS 861 CO 0.03 1.31 -0.47 1.25 -3.45 0.00 0.00 179.45 178.12 1i37 h LEU 862 N 0.11 0.49 -0.45 5.20 5.85 -0.47 -2.66 115.31 123.37 1i37 h LEU 862 Ca -0.19 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 1i37 h LEU 862 Cb 2.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.94 1i37 h LEU 862 CO 0.23 0.89 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.97 1i37 h LEU 863 N 0.37 0.94 -1.49 2.25 3.38 -1.08 -2.95 115.31 116.73 1i37 h LEU 863 Ca 0.02 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1i37 h LEU 863 Cb 0.96 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1i37 h LEU 863 CO 0.08 1.12 0.25 0.44 0.09 0.00 0.00 178.44 180.43 1i37 h ASP 864 N 0.76 0.53 0.02 -0.43 3.32 -1.35 -2.80 116.42 116.46 1i37 h ASP 864 Ca 0.11 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1i37 h ASP 864 Cb 0.75 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1i37 h ASP 864 CO 0.06 0.42 -0.01 0.77 -1.72 0.00 0.00 179.24 178.75 1i37 h SER 865 N 0.61 0.00 1.15 6.45 4.64 -1.29 -1.71 113.55 123.40 1i37 h SER 865 Ca 0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1i37 h SER 865 Cb -0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1i37 h SER 865 CO -0.03 0.01 -0.12 -0.37 -0.87 0.00 0.00 176.83 175.46 1i37 h VAL 866 N 0.00 0.27 -0.25 0.95 -1.51 -1.54 -3.29 116.25 110.88 1i37 h VAL 866 Ca -0.00 -0.92 -0.03 0.00 -1.23 0.00 0.00 66.70 64.53 1i37 h VAL 866 Cb 0.02 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 1i37 h VAL 866 CO 0.00 0.11 0.04 1.56 -1.23 0.00 0.00 177.57 178.06 1i37 h GLN 867 N 0.00 0.41 -0.26 5.19 1.08 -1.45 0.15 115.11 120.23 1i37 h GLN 867 Ca -0.00 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 1i37 h GLN 867 Cb 0.72 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1i37 h GLN 867 CO 0.02 0.53 -0.11 -1.35 -0.95 0.00 0.00 178.83 176.97 1i37 h PRO 868 N 0.22 0.43 -0.48 1.46 0.11 -1.70 -1.20 132.00 130.83 1i37 h PRO 868 Ca 0.08 -0.11 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 1i37 h PRO 868 Cb 0.32 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1i37 h PRO 868 CO 0.00 0.54 -0.14 0.82 -0.21 0.00 0.00 178.00 179.02 1i37 h ILE 869 N 0.40 1.27 -0.39 4.15 2.04 -1.61 -1.97 117.51 121.40 1i37 h ILE 869 Ca 0.08 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 1i37 h ILE 869 Cb 0.44 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1i37 h ILE 869 CO 0.02 0.44 0.04 0.00 0.00 0.00 0.00 178.15 178.66 1i37 h ALA 870 N 0.88 0.52 -0.59 1.87 0.00 -0.52 -2.60 119.26 118.82 1i37 h ALA 870 Ca 0.12 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1i37 h ALA 870 Cb 0.70 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1i37 h ALA 870 CO 0.05 0.26 0.36 -0.09 0.00 0.00 0.00 179.25 179.83 1i37 h ARG 871 N 0.51 0.69 -0.81 0.00 2.43 -1.14 0.26 114.38 116.32 1i37 h ARG 871 Ca 0.12 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1i37 h ARG 871 Cb 0.41 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 1i37 h ARG 871 CO 0.01 0.46 0.53 1.49 -1.51 0.00 0.00 179.97 180.95 1i37 h GLU 872 N 0.71 1.00 -0.01 0.20 4.81 -1.09 -1.41 114.58 118.79 1i37 h GLU 872 Ca 0.24 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 59.21 1i37 h GLU 872 Cb 0.02 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1i37 h GLU 872 CO -0.10 0.66 -0.86 -0.07 -0.73 0.00 0.00 179.01 177.92 1i37 h LEU 873 N 1.03 0.31 -0.19 1.64 3.38 -1.09 -1.68 115.31 118.71 1i37 h LEU 873 Ca 0.31 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1i37 h LEU 873 Cb -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1i37 h LEU 873 CO -0.08 1.03 0.11 0.45 0.09 0.00 0.00 178.44 180.03 1i37 h HIS 874 N 0.14 0.25 -0.63 1.13 3.86 -0.24 0.50 115.15 120.16 1i37 h HIS 874 Ca -0.05 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 1i37 h HIS 874 Cb 1.47 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.84 1i37 h HIS 874 CO 0.03 0.21 0.05 1.96 0.86 0.00 0.00 177.93 181.04 1i37 h GLN 875 N 0.22 1.08 0.43 2.45 1.08 -1.29 -0.87 115.11 118.21 1i37 h GLN 875 Ca 0.07 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 1i37 h GLN 875 Cb 0.04 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1i37 h GLN 875 CO -0.01 1.02 -0.21 0.35 -0.95 0.00 0.00 178.83 179.04 1i37 h PHE 876 N 0.98 -0.54 -0.87 2.96 3.04 -0.93 -0.68 116.94 120.90 1i37 h PHE 876 Ca 0.18 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.13 1i37 h PHE 876 Cb 0.51 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.15 1i37 h PHE 876 CO 0.04 -0.28 0.58 0.00 -2.02 0.00 0.00 178.31 176.63 1i37 h THR 877 N -0.69 1.22 -0.03 4.41 1.03 0.01 -0.03 112.91 118.84 1i37 h THR 877 Ca -0.06 -0.40 0.01 0.00 -0.01 0.00 0.00 66.41 65.95 1i37 h THR 877 Cb 0.50 -0.06 -0.01 0.00 -1.07 0.00 0.00 68.15 67.51 1i37 h THR 877 CO 0.10 0.21 -0.04 0.15 -0.01 0.00 0.00 175.52 175.93 1i37 h PHE 878 N 1.17 -0.10 -0.87 0.00 3.57 -0.93 -0.41 116.94 119.37 1i37 h PHE 878 Ca 0.32 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.83 1i37 h PHE 878 Cb -0.12 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1i37 h PHE 878 CO -0.01 -0.07 0.55 -0.44 -2.23 0.00 0.00 178.31 176.12 1i37 h ASP 879 N -0.06 1.02 -0.59 0.41 3.32 -0.71 -1.85 116.42 117.96 1i37 h ASP 879 Ca 0.03 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1i37 h ASP 879 Cb 0.10 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1i37 h ASP 879 CO -0.06 0.76 0.39 0.25 -1.72 0.00 0.00 179.24 178.86 1i37 h LEU 880 N 1.19 0.68 -1.07 1.55 5.85 -0.68 -2.31 115.31 120.51 1i37 h LEU 880 Ca 0.32 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 1i37 h LEU 880 Cb -0.10 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1i37 h LEU 880 CO -0.06 0.49 0.17 0.25 -0.34 0.00 0.00 178.44 178.95 1i37 h LEU 881 N 0.80 0.77 -0.51 2.25 5.85 -0.33 0.40 115.31 124.54 1i37 h LEU 881 Ca 0.22 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1i37 h LEU 881 Cb -0.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1i37 h LEU 881 CO -0.05 0.73 0.10 0.40 -0.34 0.00 0.00 178.44 179.28 1i37 h ILE 882 N 0.81 1.25 -0.54 4.05 1.08 -0.91 -3.13 117.51 120.12 1i37 h ILE 882 Ca 0.18 -0.91 -0.14 0.00 -0.39 0.00 0.00 64.86 63.60 1i37 h ILE 882 Cb 0.24 0.85 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 1i37 h ILE 882 CO -0.01 0.33 0.13 2.29 -0.69 0.00 0.00 178.15 180.20 1i37 n LYS 883 N -4.41 3.30 -0.29 2.37 2.85 -0.91 -4.66 118.16 116.40 1i37 n LYS 883 Ca 0.01 -3.05 -0.02 0.00 -1.05 0.00 0.00 58.31 54.21 1i37 n LYS 883 Cb 0.25 -2.06 0.10 0.00 -0.65 0.00 0.00 35.03 32.66 1i37 n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1i37 h SER 884 N 2.26 0.85 0.32 -5.58 4.64 -0.15 -2.03 113.55 113.87 1i37 h SER 884 Ca 0.17 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1i37 h SER 884 Cb 1.98 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.88 1i37 h SER 884 CO 0.54 0.58 0.00 -0.74 -0.87 0.00 0.00 176.83 176.34 1i37 h HIS 885 N 1.00 0.00 0.00 4.77 -0.00 -1.83 -2.04 115.15 117.05 1i37 h HIS 885 Ca 0.32 0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 60.43 1i37 h HIS 885 Cb 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.38 1i37 h HIS 885 CO -0.03 0.00 -2.25 -1.33 -0.00 0.00 0.00 177.93 174.32 1i37 n MET 886 N -2.37 0.68 -0.17 5.26 2.00 -0.78 -4.27 117.12 117.47 1i37 n MET 886 Ca -0.00 -0.05 0.12 0.00 0.00 0.00 0.00 57.70 57.77 1i37 n MET 886 Cb 0.12 -1.53 0.22 0.00 0.00 0.00 0.00 33.22 32.03 1i37 n MET 886 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1i37 n VAL 887 N -2.63 0.44 -1.82 2.03 0.24 -1.10 -4.97 118.33 110.51 1i37 n VAL 887 Ca -0.25 -0.70 -0.16 0.00 -2.04 0.00 0.00 64.34 61.20 1i37 n VAL 887 Cb 1.00 0.99 -0.04 0.00 -1.47 0.00 0.00 33.84 34.31 1i37 n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1i37 n SER 888 N 1.41 -4.86 -4.75 -1.34 7.64 -0.81 -4.50 113.62 106.40 1i37 n SER 888 Ca 0.19 0.22 -0.35 0.00 1.01 0.00 0.00 58.87 59.93 1i37 n SER 888 Cb 0.59 -3.86 -0.08 0.00 -1.01 0.00 0.00 64.21 59.85 1i37 n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1i37 s VAL 889 N -2.68 5.40 0.04 0.44 1.01 -0.93 -4.87 120.40 118.81 1i37 s VAL 889 Ca 0.00 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.32 1i37 s VAL 889 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1i37 s VAL 889 CO 0.00 0.46 -0.26 -0.62 0.00 0.00 0.00 175.10 174.68 1i37 s ASP 890 N 0.18 3.10 -0.20 3.32 -1.08 -1.26 -4.38 116.67 116.35 1i37 s ASP 890 Ca 0.10 -0.57 -0.10 0.00 -0.52 0.00 0.00 52.55 51.46 1i37 s ASP 890 Cb -0.11 -0.29 -0.05 0.00 -1.46 0.00 0.00 42.92 41.01 1i37 s ASP 890 CO -0.00 0.26 0.13 -0.36 0.52 0.00 0.00 175.17 175.71 1i37 s PHE 891 N -0.78 3.41 1.00 -5.34 0.40 -1.26 -4.71 117.98 110.70 1i37 s PHE 891 Ca 0.11 0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 56.65 1i37 s PHE 891 Cb -0.10 -2.15 0.19 0.00 0.51 0.00 0.00 43.02 41.47 1i37 s PHE 891 CO 0.02 0.29 1.08 -2.14 0.70 0.00 0.00 175.22 175.17 1i37 s PRO 892 N 0.33 0.40 0.08 0.24 0.02 -1.26 -4.57 135.00 130.25 1i37 s PRO 892 Ca 0.08 0.96 -0.17 0.00 0.02 0.00 0.00 61.00 61.89 1i37 s PRO 892 Cb -0.11 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1i37 s PRO 892 CO -0.02 -2.87 1.30 1.49 -0.33 0.00 0.00 177.00 176.57 1i37 h GLU 893 N -2.01 -0.06 -0.43 5.54 4.81 -1.99 -1.67 114.58 118.78 1i37 h GLU 893 Ca -0.53 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 1i37 h GLU 893 Cb 1.30 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1i37 h GLU 893 CO 0.51 -0.04 0.15 0.52 -0.73 0.00 0.00 179.01 179.42 1i37 h MET 894 N -0.06 0.61 0.61 1.92 2.86 -1.97 -2.10 114.93 116.81 1i37 h MET 894 Ca 0.07 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1i37 h MET 894 Cb 0.25 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.81 1i37 h MET 894 CO -0.46 0.53 -0.29 0.52 1.06 0.00 0.00 176.91 178.26 1i37 h MET 895 N 0.61 -0.79 -0.70 1.72 2.86 -1.71 -0.06 114.93 116.86 1i37 h MET 895 Ca 0.15 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1i37 h MET 895 Cb 0.16 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 1i37 h MET 895 CO -0.01 -0.49 0.41 0.00 1.06 0.00 0.00 176.91 177.88 1i37 h ALA 896 N -0.62 0.93 -0.20 6.32 0.00 -1.28 0.24 119.26 124.65 1i37 h ALA 896 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1i37 h ALA 896 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1i37 h ALA 896 CO 0.14 0.13 0.08 1.49 0.00 0.00 0.00 179.25 181.09 1i37 h GLU 897 N 0.78 0.30 0.00 0.00 4.81 -1.34 -0.36 114.58 118.77 1i37 h GLU 897 Ca 0.30 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1i37 h GLU 897 Cb 0.12 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1i37 h GLU 897 CO -0.15 0.37 -0.44 0.82 -0.73 0.00 0.00 179.01 178.87 1i37 h ILE 898 N 0.17 1.07 0.00 2.32 2.04 -0.66 -0.23 117.51 122.22 1i37 h ILE 898 Ca 0.07 -1.67 -0.16 0.00 1.00 0.00 0.00 64.86 64.09 1i37 h ILE 898 Cb 0.18 1.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1i37 h ILE 898 CO -0.01 0.43 -0.79 0.40 0.00 0.00 0.00 178.15 178.19 1i37 h ILE 899 N 0.00 1.37 0.00 -0.67 2.04 -0.28 -1.32 117.51 118.65 1i37 h ILE 899 Ca -0.00 -2.89 0.00 0.00 1.00 0.00 0.00 64.86 62.96 1i37 h ILE 899 Cb 0.93 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 1i37 h ILE 899 CO 0.06 0.77 -1.20 -1.54 0.00 0.00 0.00 178.15 176.24 1i37 n SER 900 N -3.32 0.56 -0.09 1.72 3.41 -0.17 -4.04 113.62 111.69 1i37 n SER 900 Ca 0.01 -0.20 -0.18 0.00 -0.26 0.00 0.00 58.87 58.24 1i37 n SER 900 Cb 0.84 1.00 -0.07 0.00 -0.26 0.00 0.00 64.21 65.72 1i37 n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1i37 n VAL 901 N -2.04 1.01 -0.11 -3.33 0.31 -0.11 -4.76 118.33 109.31 1i37 n VAL 901 Ca 0.01 -0.28 -0.23 0.00 -0.01 0.00 0.00 64.34 63.83 1i37 n VAL 901 Cb 0.46 -1.62 -0.11 0.00 -0.91 0.00 0.00 33.84 31.65 1i37 n VAL 901 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i37 n GLN 902 N -3.66 0.57 -0.35 5.55 1.13 -0.56 -4.35 117.38 115.70 1i37 n GLN 902 Ca -0.35 0.54 0.13 0.00 -1.94 0.00 0.00 57.00 55.38 1i37 n GLN 902 Cb 0.77 -1.72 0.33 0.00 0.11 0.00 0.00 30.24 29.73 1i37 n GLN 902 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1i37 h VAL 903 N -0.99 0.69 -0.60 5.09 2.07 -1.53 -1.75 116.25 119.23 1i37 h VAL 903 Ca -0.40 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1i37 h VAL 903 Cb 1.35 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1i37 h VAL 903 CO -0.24 0.14 0.35 -0.65 0.02 0.00 0.00 177.57 177.19 1i37 h PRO 904 N 0.75 0.67 -0.78 1.57 0.11 -1.78 -0.86 132.00 131.68 1i37 h PRO 904 Ca 0.59 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.84 1i37 h PRO 904 Cb 0.93 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.84 1i37 h PRO 904 CO -0.39 0.44 0.53 0.87 -0.21 0.00 0.00 178.00 179.24 1i37 h LYS 905 N 0.69 0.27 -0.00 1.05 1.57 -1.51 0.40 116.57 119.03 1i37 h LYS 905 Ca 0.25 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1i37 h LYS 905 Cb 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1i37 h LYS 905 CO -0.12 0.18 -0.13 0.82 -0.57 0.00 0.00 179.45 179.63 1i37 h ILE 906 N 0.27 1.58 0.00 1.86 2.04 -1.21 -0.51 117.51 121.54 1i37 h ILE 906 Ca 0.39 -1.87 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 1i37 h ILE 906 Cb 1.11 2.79 -0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1i37 h ILE 906 CO -0.10 0.50 -0.12 -0.07 0.00 0.00 0.00 178.15 178.36 1i37 h LEU 907 N -0.62 0.00 -1.39 1.44 3.38 0.30 -2.02 115.31 116.40 1i37 h LEU 907 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1i37 h LEU 907 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1i37 h LEU 907 CO 0.03 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.14 1i37 n SER 908 N -3.67 2.11 0.00 -0.43 3.41 0.12 -4.94 113.62 110.21 1i37 n SER 908 Ca -0.02 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1i37 n SER 908 Cb 0.24 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1i37 n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i37 n GLY 909 N 1.23 0.82 0.26 5.00 0.00 -0.76 -4.95 105.19 106.79 1i37 n GLY 909 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1i37 n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i37 h LYS 910 N 3.70 0.52 -4.96 1.61 1.57 -1.33 -3.43 116.57 114.26 1i37 h LYS 910 Ca 0.00 -0.15 -0.55 0.00 -1.87 0.00 0.00 60.65 58.08 1i37 h LYS 910 Cb 0.00 -0.05 -0.32 0.00 0.08 0.00 0.00 32.23 31.93 1i37 h LYS 910 CO 0.00 0.64 -0.83 0.14 -0.57 0.00 0.00 179.45 178.83 1i37 s VAL 911 N -4.74 1.36 0.14 0.50 -7.23 -0.89 0.24 120.40 109.79 1i37 s VAL 911 Ca -0.07 -0.64 0.05 0.00 -1.81 0.00 0.00 61.98 59.51 1i37 s VAL 911 Cb 0.15 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 1i37 s VAL 911 CO 0.78 0.40 -0.12 -1.59 -0.31 0.00 0.00 175.10 174.26 1i37 s LYS 912 N 0.35 1.06 0.60 4.82 0.00 0.05 -4.43 119.74 122.19 1i37 s LYS 912 Ca -0.10 -1.38 -0.15 0.00 0.00 0.00 0.00 55.97 54.34 1i37 s LYS 912 Cb -0.14 -0.75 -0.03 0.00 0.00 0.00 0.00 37.83 36.90 1i37 s LYS 912 CO 0.04 0.12 1.05 -1.25 0.00 0.00 0.00 175.35 175.30 1i37 s PRO 913 N -3.34 3.34 -0.22 1.78 0.04 -1.26 -1.47 135.00 133.87 1i37 s PRO 913 Ca 0.14 1.11 -0.14 0.00 0.04 0.00 0.00 61.00 62.15 1i37 s PRO 913 Cb -0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1i37 s PRO 913 CO 0.02 -0.78 0.30 0.42 0.04 0.00 0.00 177.00 177.00 1i37 s ILE 914 N -2.61 5.26 0.06 0.56 1.01 0.18 -4.89 121.20 120.77 1i37 s ILE 914 Ca 0.62 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.80 1i37 s ILE 914 Cb -0.15 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1i37 s ILE 914 CO 0.40 0.28 -0.03 -0.31 0.00 0.00 0.00 174.94 175.29 1i37 s TYR 915 N 1.25 2.95 -0.10 3.97 1.51 -1.26 -4.86 117.35 120.82 1i37 s TYR 915 Ca 0.14 -0.03 -0.24 0.00 -1.01 0.00 0.00 57.07 55.93 1i37 s TYR 915 Cb -0.14 -1.56 -0.28 0.00 -0.11 0.00 0.00 41.96 39.86 1i37 s TYR 915 CO 0.07 0.45 0.80 0.74 -1.11 0.00 0.00 175.55 176.49 1i37 h PHE 916 N 3.81 0.29 -0.02 2.71 0.04 -1.98 -3.52 116.94 118.27 1i37 h PHE 916 Ca -0.48 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.08 1i37 h PHE 916 Cb 1.17 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1i37 h PHE 916 CO 0.60 1.20 0.00 0.72 -0.60 0.00 0.00 178.31 180.23