#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ama h ILE 672 N 0.00 0.84 -0.24 0.52 2.04 -2.06 0.10 117.51 118.71 2ama h ILE 672 Ca 0.00 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2ama h ILE 672 Cb 0.00 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2ama h ILE 672 CO 0.00 0.07 0.11 0.15 0.00 0.00 0.00 178.15 178.48 2ama h PHE 673 N 0.36 0.35 -0.33 1.37 3.57 -2.04 -2.07 116.94 118.15 2ama h PHE 673 Ca 0.24 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 2ama h PHE 673 Cb 0.25 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2ama h PHE 673 CO -0.16 0.35 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.12 2ama h LEU 674 N 0.25 0.52 -0.28 0.59 3.38 -1.93 -2.01 115.31 115.84 2ama h LEU 674 Ca 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ama h LEU 674 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2ama h LEU 674 CO -0.01 0.65 0.18 0.78 0.09 0.00 0.00 178.44 180.13 2ama h ASN 675 N 0.51 0.32 0.30 -0.43 -0.26 -0.51 -1.72 115.58 113.79 2ama h ASN 675 Ca 0.10 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 2ama h ASN 675 Cb 0.45 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 2ama h ASN 675 CO 0.02 0.25 -0.14 0.58 -1.06 0.00 0.00 177.43 177.08 2ama h VAL 676 N 0.37 0.73 -0.86 2.81 2.07 -1.11 -0.63 116.25 119.64 2ama h VAL 676 Ca 0.10 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.49 2ama h VAL 676 Cb -0.03 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 2ama h VAL 676 CO -0.02 0.05 0.49 -0.07 0.02 0.00 0.00 177.57 178.04 2ama h LEU 677 N -0.53 0.69 -0.28 2.57 3.38 -1.30 0.32 115.31 120.16 2ama h LEU 677 Ca -0.04 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2ama h LEU 677 Cb 0.39 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2ama h LEU 677 CO 0.07 0.38 -0.06 -0.08 0.09 0.00 0.00 178.44 178.84 2ama h GLU 678 N 0.80 0.54 -0.73 1.13 4.81 -1.23 -2.63 114.58 117.28 2ama h GLU 678 Ca 0.42 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 2ama h GLU 678 Cb 0.43 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 2ama h GLU 678 CO -0.27 0.74 0.47 0.00 -0.73 0.00 0.00 179.01 179.22 2ama h ALA 679 N 0.79 0.95 -0.00 2.92 0.00 -0.12 -2.99 119.26 120.80 2ama h ALA 679 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ama h ALA 679 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ama h ALA 679 CO 0.03 0.28 -0.23 0.44 0.00 0.00 0.00 179.25 179.76 2ama n ILE 680 N -4.62 0.00 -1.68 0.00 -5.35 0.01 -4.92 119.36 102.79 2ama n ILE 680 Ca 0.08 -0.02 -0.48 0.00 -0.27 0.00 0.00 62.75 62.05 2ama n ILE 680 Cb 0.06 -0.05 -0.05 0.00 -1.74 0.00 0.00 39.64 37.86 2ama n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2ama n GLU 681 N -1.29 2.18 -1.59 6.28 4.07 -0.99 -4.79 120.64 124.50 2ama n GLU 681 Ca 0.09 0.80 -0.38 0.00 -0.06 0.00 0.00 57.16 57.61 2ama n GLU 681 Cb 0.32 -2.66 0.05 0.00 -0.06 0.00 0.00 31.44 29.09 2ama n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2ama n PRO 682 N 6.77 0.80 -0.07 5.31 -0.02 -1.26 -5.02 135.00 141.51 2ama n PRO 682 Ca 0.23 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2ama n PRO 682 Cb 0.30 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2ama n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ama n GLY 683 N 1.37 0.23 3.77 -1.23 0.00 -1.26 -5.03 105.19 103.04 2ama n GLY 683 Ca 0.14 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 2ama n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ama s VAL 684 N 0.58 2.61 -0.09 1.61 1.01 -1.26 -5.03 120.40 119.82 2ama s VAL 684 Ca 0.00 0.61 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 2ama s VAL 684 Cb 0.00 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 33.02 2ama s VAL 684 CO 0.00 0.14 -0.05 -0.69 0.00 0.00 0.00 175.10 174.50 2ama s VAL 685 N -1.14 0.79 0.33 2.92 1.01 -1.26 -5.14 120.40 117.91 2ama s VAL 685 Ca 0.50 -0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 2ama s VAL 685 Cb -0.41 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2ama s VAL 685 CO 0.54 0.32 0.62 0.00 0.00 0.00 0.00 175.10 176.59 2ama h ALA 687 N 1.51 0.58 -0.05 0.00 0.00 -1.90 -3.46 119.26 115.95 2ama h ALA 687 Ca -0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2ama h ALA 687 Cb 1.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ama h ALA 687 CO 0.65 0.08 -0.01 0.41 0.00 0.00 0.00 179.25 180.38 2ama n GLY 688 N 1.19 0.37 3.74 0.00 0.00 -1.26 -4.38 105.19 104.85 2ama n GLY 688 Ca -0.00 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 2ama n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ama s HIS 689 N -2.02 3.88 -0.77 1.61 5.04 -1.26 -4.99 115.29 116.79 2ama s HIS 689 Ca 0.00 1.85 -0.22 0.00 -1.54 0.00 0.00 55.06 55.15 2ama s HIS 689 Cb 0.00 -3.04 0.08 0.00 0.04 0.00 0.00 32.58 29.66 2ama s HIS 689 CO 0.00 0.25 1.07 0.34 -2.34 0.00 0.00 174.74 174.06 2ama s ASP 690 N -0.71 6.33 0.00 9.88 3.68 -1.26 -4.85 116.67 129.74 2ama s ASP 690 Ca 0.44 -1.30 0.14 0.00 2.13 0.00 0.00 52.55 53.96 2ama s ASP 690 Cb -0.26 -2.43 0.86 0.00 -1.45 0.00 0.00 42.92 39.64 2ama s ASP 690 CO 0.32 -1.36 1.31 0.59 0.13 0.00 0.00 175.17 176.16 2ama n ASN 691 N 7.56 0.00 0.05 -0.34 3.02 -1.26 -2.47 115.26 121.83 2ama n ASN 691 Ca 0.07 -0.80 0.06 0.00 -0.03 0.00 0.00 54.58 53.88 2ama n ASN 691 Cb 0.47 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 2ama n ASN 691 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ama n ASN 692 N -0.86 0.73 -4.83 6.41 4.13 -1.26 -4.89 115.26 114.68 2ama n ASN 692 Ca 0.11 0.30 -0.34 0.00 1.68 0.00 0.00 54.58 56.32 2ama n ASN 692 Cb 0.05 0.52 -0.06 0.00 -1.54 0.00 0.00 39.78 38.75 2ama n ASN 692 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2ama s GLN 693 N -3.16 4.10 0.44 3.52 -1.52 -1.03 -5.03 119.66 116.97 2ama s GLN 693 Ca -0.03 0.71 -0.24 0.00 -1.95 0.00 0.00 55.36 53.85 2ama s GLN 693 Cb 0.10 -2.70 -0.10 0.00 -0.22 0.00 0.00 33.01 30.09 2ama s GLN 693 CO 0.81 0.31 1.12 -2.30 -0.25 0.00 0.00 175.29 174.98 2ama n PRO 694 N 0.26 1.54 -1.89 2.91 -0.02 -1.26 -4.90 135.00 131.64 2ama n PRO 694 Ca -0.00 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2ama n PRO 694 Cb 0.52 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 2ama n PRO 694 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ama s ASP 695 N -0.71 6.50 0.01 2.55 -0.00 -1.26 -4.93 116.67 118.82 2ama s ASP 695 Ca 0.64 2.28 -0.03 0.00 -0.00 0.00 0.00 52.55 55.44 2ama s ASP 695 Cb -0.52 -2.53 -0.01 0.00 -0.00 0.00 0.00 42.92 39.86 2ama s ASP 695 CO 0.56 -1.06 0.04 -0.94 -0.00 0.00 0.00 175.17 173.77 2ama s SER 696 N 4.07 0.15 0.19 0.27 1.04 -1.26 -5.05 113.70 113.11 2ama s SER 696 Ca 0.79 -0.37 -0.16 0.00 0.48 0.00 0.00 55.95 56.69 2ama s SER 696 Cb -0.35 0.14 0.17 0.00 0.10 0.00 0.00 66.02 66.08 2ama s SER 696 CO 0.34 -0.33 1.63 0.15 0.98 0.00 0.00 173.24 176.01 2ama h PHE 697 N 4.50 -0.41 -0.01 5.02 3.57 -1.94 -0.70 116.94 126.97 2ama h PHE 697 Ca -0.31 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.27 2ama h PHE 697 Cb 1.20 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 40.17 2ama h PHE 697 CO 0.63 -0.27 -0.21 0.00 -2.23 0.00 0.00 178.31 176.24 2ama h ALA 698 N 1.41 -0.26 -0.37 2.41 0.00 -1.86 -0.98 119.26 119.61 2ama h ALA 698 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2ama h ALA 698 Cb 0.44 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2ama h ALA 698 CO -0.57 -0.70 -0.01 0.00 0.00 0.00 0.00 179.25 177.97 2ama h ALA 699 N 0.57 0.50 0.02 0.00 0.00 -1.78 -1.11 119.26 117.46 2ama h ALA 699 Ca 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ama h ALA 699 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ama h ALA 699 CO -0.20 0.28 -0.01 -0.07 0.00 0.00 0.00 179.25 179.25 2ama h LEU 700 N 0.47 -0.03 -0.63 0.00 3.38 -1.05 -0.83 115.31 116.62 2ama h LEU 700 Ca 0.10 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2ama h LEU 700 Cb 0.48 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2ama h LEU 700 CO 0.02 0.10 -0.22 -0.07 0.09 0.00 0.00 178.44 178.36 2ama h LEU 701 N -0.16 0.86 -0.60 1.67 -0.00 -1.22 -0.61 115.31 115.25 2ama h LEU 701 Ca -0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2ama h LEU 701 Cb 0.14 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.54 2ama h LEU 701 CO 0.01 1.05 0.38 0.28 -0.00 0.00 0.00 178.44 180.15 2ama h SER 702 N 0.73 0.71 -0.53 -0.43 0.02 -1.12 0.37 113.55 113.31 2ama h SER 702 Ca 0.10 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2ama h SER 702 Cb 0.76 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2ama h SER 702 CO 0.06 0.54 0.08 0.28 -1.14 0.00 0.00 176.83 176.65 2ama h SER 703 N 0.81 0.89 -0.65 3.07 0.02 -0.89 -1.02 113.55 115.79 2ama h SER 703 Ca 0.22 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 2ama h SER 703 Cb -0.05 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 2ama h SER 703 CO -0.04 0.90 0.17 -0.07 -1.14 0.00 0.00 176.83 176.65 2ama h LEU 704 N 0.88 0.99 -0.55 5.07 3.38 -0.55 0.12 115.31 124.65 2ama h LEU 704 Ca 0.18 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2ama h LEU 704 Cb 0.41 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2ama h LEU 704 CO 0.01 0.95 -0.01 0.78 0.09 0.00 0.00 178.44 180.26 2ama h ASN 705 N 1.01 0.96 -0.56 -0.43 2.35 -0.53 0.25 115.58 118.62 2ama h ASN 705 Ca 0.21 -0.31 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 2ama h ASN 705 Cb 0.34 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2ama h ASN 705 CO -0.00 1.04 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.65 2ama h GLU 706 N 0.85 1.05 -0.86 0.81 4.57 -0.89 -1.29 114.58 118.81 2ama h GLU 706 Ca 0.15 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2ama h GLU 706 Cb 0.55 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 2ama h GLU 706 CO 0.03 1.08 0.55 1.25 -1.18 0.00 0.00 179.01 180.74 2ama h LEU 707 N 0.94 1.01 -0.82 1.64 5.85 -0.47 -1.56 115.31 121.90 2ama h LEU 707 Ca 0.15 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 2ama h LEU 707 Cb 0.66 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2ama h LEU 707 CO 0.05 0.75 0.38 1.23 -0.34 0.00 0.00 178.44 180.50 2ama h GLY 708 N 1.18 1.28 0.96 3.75 0.00 -0.47 0.24 103.07 110.00 2ama h GLY 708 Ca 0.31 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2ama h GLY 708 CO -0.06 0.62 0.20 -2.09 0.00 0.00 0.00 176.54 175.20 2ama h GLU 709 N 1.17 0.59 -0.24 4.80 4.57 -0.58 0.18 114.58 125.07 2ama h GLU 709 Ca 0.28 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 2ama h GLU 709 Cb 0.15 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2ama h GLU 709 CO -0.03 0.51 0.07 0.00 -1.18 0.00 0.00 179.01 178.38 2ama h ARG 710 N 0.52 0.38 -0.46 1.92 3.08 -0.99 -2.84 114.38 115.99 2ama h ARG 710 Ca 0.14 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2ama h ARG 710 Cb 0.11 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2ama h ARG 710 CO -0.02 0.47 0.15 1.96 -1.07 0.00 0.00 179.97 181.46 2ama h GLN 711 N 0.22 0.67 -0.95 0.04 1.08 -0.79 -2.27 115.11 113.11 2ama h GLN 711 Ca 0.08 -0.11 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2ama h GLN 711 Cb 0.25 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 2ama h GLN 711 CO -0.00 0.58 0.62 1.25 -0.95 0.00 0.00 178.83 180.33 2ama h LEU 712 N 0.66 1.04 -0.71 1.46 5.85 -0.73 0.18 115.31 123.05 2ama h LEU 712 Ca 0.16 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2ama h LEU 712 Cb 0.19 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2ama h LEU 712 CO -0.01 0.72 0.42 0.58 -0.34 0.00 0.00 178.44 179.80 2ama h VAL 713 N 1.21 1.21 -0.19 1.05 2.07 -1.22 -1.51 116.25 118.87 2ama h VAL 713 Ca 0.38 -0.48 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 2ama h VAL 713 Cb -0.01 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2ama h VAL 713 CO -0.12 0.22 -0.48 0.45 0.02 0.00 0.00 177.57 177.66 2ama h HIS 714 N 0.98 0.59 -0.45 1.57 3.86 -1.15 -2.96 115.15 117.59 2ama h HIS 714 Ca 0.25 -0.19 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 2ama h HIS 714 Cb -0.01 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 2ama h HIS 714 CO -0.01 0.88 -0.12 0.28 0.86 0.00 0.00 177.93 179.82 2ama h VAL 715 N 0.39 1.26 -0.15 2.45 2.07 -0.33 -1.39 116.25 120.55 2ama h VAL 715 Ca 0.02 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 2ama h VAL 715 Cb 0.99 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2ama h VAL 715 CO 0.09 0.41 0.06 0.58 0.02 0.00 0.00 177.57 178.74 2ama h VAL 716 N 0.74 1.14 -0.69 2.57 2.07 -1.21 0.39 116.25 121.26 2ama h VAL 716 Ca 0.12 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2ama h VAL 716 Cb 0.62 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2ama h VAL 716 CO 0.04 0.13 0.29 0.11 0.02 0.00 0.00 177.57 178.17 2ama h LYS 717 N 0.09 1.03 0.50 1.57 6.56 -1.42 -1.86 116.57 123.03 2ama h LYS 717 Ca 0.05 -0.18 -0.02 0.00 -1.06 0.00 0.00 60.65 59.44 2ama h LYS 717 Cb 0.16 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 2ama h LYS 717 CO -0.00 0.84 -0.24 2.35 -2.06 0.00 0.00 179.45 180.34 2ama h TRP 718 N 0.98 -0.62 -0.49 -1.35 7.01 -1.12 -2.79 115.95 117.58 2ama h TRP 718 Ca 0.23 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.31 2ama h TRP 718 Cb 0.19 0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 27.37 2ama h TRP 718 CO 0.01 -0.35 0.03 0.00 -2.79 0.00 0.00 178.44 175.35 2ama h ALA 719 N -0.27 0.49 0.00 2.65 0.00 -0.80 -0.71 119.26 120.62 2ama h ALA 719 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ama h ALA 719 Cb 0.55 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ama h ALA 719 CO 0.11 -0.37 0.00 0.87 0.00 0.00 0.00 179.25 179.87 2ama h LYS 720 N 0.15 0.00 -0.02 0.00 1.57 -1.33 -1.28 116.57 115.66 2ama h LYS 720 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2ama h LYS 720 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2ama h LYS 720 CO -0.38 0.00 -0.03 0.00 -0.57 0.00 0.00 179.45 178.47 2ama n ALA 721 N -1.97 2.58 -1.76 3.86 0.00 -0.30 -4.68 120.51 118.24 2ama n ALA 721 Ca -0.01 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.45 2ama n ALA 721 Cb 0.16 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 2ama n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ama s LEU 722 N -2.04 4.49 -0.02 0.00 1.43 -0.49 -4.94 118.68 117.11 2ama s LEU 722 Ca 0.31 2.32 -0.34 0.00 -1.03 0.00 0.00 54.13 55.39 2ama s LEU 722 Cb 0.20 -3.69 -0.13 0.00 0.03 0.00 0.00 46.19 42.60 2ama s LEU 722 CO 0.33 -0.25 1.77 -2.65 0.23 0.00 0.00 176.35 175.78 2ama n PRO 723 N 0.98 2.10 0.00 1.29 -0.02 -1.26 -1.77 135.00 136.31 2ama n PRO 723 Ca -0.00 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2ama n PRO 723 Cb 0.45 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2ama n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ama n GLY 724 N 4.05 2.71 0.37 -1.23 0.00 -1.26 -4.91 105.19 104.93 2ama n GLY 724 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 2ama n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ama h PHE 725 N 0.00 0.91 0.00 1.61 3.57 -1.64 0.11 116.94 121.50 2ama h PHE 725 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2ama h PHE 725 Cb 0.00 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2ama h PHE 725 CO 0.00 0.31 0.00 0.54 -2.23 0.00 0.00 178.31 176.93 2ama n ARG 726 N -4.60 0.66 0.19 1.11 1.74 -1.26 -2.11 116.66 112.38 2ama n ARG 726 Ca 0.19 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.39 2ama n ARG 726 Cb 0.48 -1.39 0.15 0.00 -1.02 0.00 0.00 32.46 30.69 2ama n ARG 726 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2ama h ASN 727 N 0.00 0.00 -4.09 0.55 2.35 -1.16 -3.46 115.58 109.77 2ama h ASN 727 Ca 0.00 -0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 2ama h ASN 727 Cb 0.00 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.41 2ama h ASN 727 CO 0.00 0.00 0.40 -0.76 -1.65 0.00 0.00 177.43 175.42 2ama s LEU 728 N -5.95 3.79 0.64 1.61 1.43 -0.90 -4.97 118.68 114.34 2ama s LEU 728 Ca 0.06 1.99 -0.18 0.00 -1.03 0.00 0.00 54.13 54.97 2ama s LEU 728 Cb 0.06 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.70 2ama s LEU 728 CO 0.69 -0.93 1.11 1.57 0.23 0.00 0.00 176.35 179.02 2ama n HIS 729 N -1.14 1.28 -0.13 0.29 -0.00 -1.26 -4.74 115.22 109.52 2ama n HIS 729 Ca 0.10 0.42 0.02 0.00 -0.00 0.00 0.00 57.72 58.26 2ama n HIS 729 Cb 0.52 -2.18 0.32 0.00 -0.00 0.00 0.00 29.99 28.65 2ama n HIS 729 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 2ama h VAL 730 N 0.36 1.15 0.00 3.57 3.04 -1.94 -1.20 116.25 121.23 2ama h VAL 730 Ca -0.49 -0.28 -0.08 0.00 -1.01 0.00 0.00 66.70 64.84 2ama h VAL 730 Cb 1.35 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 2ama h VAL 730 CO 0.51 0.15 -0.36 0.44 -1.01 0.00 0.00 177.57 177.30 2ama h ASP 731 N 0.82 0.00 0.62 3.17 3.32 -2.01 -2.96 116.42 119.37 2ama h ASP 731 Ca 0.23 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.07 2ama h ASP 731 Cb -0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2ama h ASP 731 CO -0.05 0.36 -0.93 0.44 -1.72 0.00 0.00 179.24 177.34 2ama h ASP 732 N 0.00 0.26 -0.27 6.45 3.32 -1.66 -2.59 116.42 121.93 2ama h ASP 732 Ca -0.00 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.85 2ama h ASP 732 Cb 0.99 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 2ama h ASP 732 CO 0.05 1.05 0.10 1.56 -1.72 0.00 0.00 179.24 180.28 2ama h GLN 733 N 0.10 0.23 -0.02 3.56 4.20 -1.08 -0.16 115.11 121.94 2ama h GLN 733 Ca -0.05 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 2ama h GLN 733 Cb 1.58 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.30 2ama h GLN 733 CO 0.14 0.15 -0.85 1.98 -0.67 0.00 0.00 178.83 179.58 2ama h MET 734 N 0.23 0.31 0.18 1.46 4.05 -1.60 -2.99 114.93 116.57 2ama h MET 734 Ca 0.12 -0.31 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 2ama h MET 734 Cb 0.07 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 2ama h MET 734 CO -0.11 1.00 -0.09 0.00 0.23 0.00 0.00 176.91 177.94 2ama h ALA 735 N 0.90 -0.25 -0.79 0.39 0.00 -1.17 0.15 119.26 118.49 2ama h ALA 735 Ca -0.05 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.89 2ama h ALA 735 Cb 1.47 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.28 2ama h ALA 735 CO 0.14 -0.61 0.42 0.28 0.00 0.00 0.00 179.25 179.48 2ama h VAL 736 N -0.30 0.85 -0.46 0.00 2.07 -1.09 0.03 116.25 117.35 2ama h VAL 736 Ca -0.03 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 2ama h VAL 736 Cb 0.23 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2ama h VAL 736 CO 0.04 0.13 -0.14 0.40 0.02 0.00 0.00 177.57 178.02 2ama h ILE 737 N 0.69 1.27 0.00 4.57 2.04 -1.34 -1.44 117.51 123.30 2ama h ILE 737 Ca 0.39 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 2ama h ILE 737 Cb 0.42 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2ama h ILE 737 CO -0.28 0.43 -0.12 1.56 0.00 0.00 0.00 178.15 179.74 2ama h GLN 738 N 0.73 0.00 0.07 2.37 4.20 0.30 -2.17 115.11 120.61 2ama h GLN 738 Ca 0.11 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.47 2ama h GLN 738 Cb 0.69 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 2ama h GLN 738 CO 0.05 0.12 -2.04 0.66 -0.67 0.00 0.00 178.83 176.96 2ama n TYR 739 N -3.32 0.93 1.23 2.96 4.01 -0.10 -4.47 117.16 118.40 2ama n TYR 739 Ca -0.00 0.23 0.13 0.00 -0.16 0.00 0.00 57.90 58.09 2ama n TYR 739 Cb 0.34 -1.13 0.32 0.00 -0.31 0.00 0.00 39.34 38.56 2ama n TYR 739 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2ama n SER 740 N -3.31 1.33 -0.37 7.72 3.41 -0.55 -4.47 113.62 117.39 2ama n SER 740 Ca -0.31 -1.12 0.03 0.00 -0.26 0.00 0.00 58.87 57.21 2ama n SER 740 Cb 1.05 0.17 0.19 0.00 -0.26 0.00 0.00 64.21 65.35 2ama n SER 740 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2ama h TRP 741 N 1.70 1.19 0.23 7.33 5.08 -1.61 -1.32 115.95 128.55 2ama h TRP 741 Ca 0.00 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.99 2ama h TRP 741 Cb 0.57 -0.39 -0.00 0.00 -3.00 0.00 0.00 29.16 26.33 2ama h TRP 741 CO 0.00 0.60 -0.14 1.98 -1.28 0.00 0.00 178.44 179.60 2ama h MET 742 N 1.15 -0.34 -0.63 0.12 4.05 -1.88 -0.87 114.93 116.52 2ama h MET 742 Ca 0.44 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.89 2ama h MET 742 Cb 0.20 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 2ama h MET 742 CO -0.18 -0.23 0.41 0.78 0.23 0.00 0.00 176.91 177.92 2ama h GLY 743 N -0.36 0.89 0.90 1.39 0.00 -1.81 0.11 103.07 104.19 2ama h GLY 743 Ca -0.02 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 46.99 2ama h GLY 743 CO 0.03 0.33 0.27 1.41 0.00 0.00 0.00 176.54 178.58 2ama h LEU 744 N 0.86 0.44 -0.52 3.11 3.38 -1.08 -0.79 115.31 120.71 2ama h LEU 744 Ca 0.23 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 2ama h LEU 744 Cb -0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2ama h LEU 744 CO -0.05 0.32 -0.61 0.24 0.09 0.00 0.00 178.44 178.43 2ama h MET 745 N 0.55 0.45 -0.34 1.13 2.86 -0.84 -2.15 114.93 116.59 2ama h MET 745 Ca 0.18 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 2ama h MET 745 Cb 0.01 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2ama h MET 745 CO -0.08 0.92 0.01 0.28 1.06 0.00 0.00 176.91 179.10 2ama h VAL 746 N 0.33 1.26 -0.25 -2.22 2.07 -0.77 -1.10 116.25 115.56 2ama h VAL 746 Ca -0.01 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.57 2ama h VAL 746 Cb 1.15 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2ama h VAL 746 CO 0.11 0.31 0.16 0.15 0.02 0.00 0.00 177.57 178.32 2ama h PHE 747 N 0.41 0.30 -0.46 1.57 3.57 -1.08 0.08 116.94 121.33 2ama h PHE 747 Ca 0.10 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 2ama h PHE 747 Cb 0.44 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2ama h PHE 747 CO 0.03 0.19 -0.07 0.00 -2.23 0.00 0.00 178.31 176.23 2ama h ALA 748 N 1.10 1.02 -0.37 2.41 0.00 -1.36 -1.63 119.26 120.42 2ama h ALA 748 Ca 0.10 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2ama h ALA 748 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2ama h ALA 748 CO -0.03 0.60 -0.14 1.98 0.00 0.00 0.00 179.25 181.66 2ama h MET 749 N 0.73 0.67 -0.34 0.00 1.85 -0.82 0.19 114.93 117.21 2ama h MET 749 Ca 0.13 -0.22 -0.09 0.00 -0.61 0.00 0.00 59.70 58.91 2ama h MET 749 Cb 0.55 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.51 2ama h MET 749 CO 0.03 0.78 -0.16 0.78 -0.40 0.00 0.00 176.91 177.95 2ama h GLY 750 N 0.97 0.66 0.79 1.39 0.00 -0.62 -1.26 103.07 105.00 2ama h GLY 750 Ca 0.10 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2ama h GLY 750 CO 0.04 0.46 -0.01 -0.25 0.00 0.00 0.00 176.54 176.78 2ama h TRP 751 N 0.55 0.33 -0.90 5.60 2.91 -0.55 -1.92 115.95 121.99 2ama h TRP 751 Ca 0.09 -0.06 0.06 0.00 1.13 0.00 0.00 58.89 60.11 2ama h TRP 751 Cb 0.58 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 29.09 2ama h TRP 751 CO 0.02 0.52 0.57 0.00 -1.03 0.00 0.00 178.44 178.52 2ama h ARG 752 N 0.04 1.02 -0.49 2.65 3.08 -0.79 -0.19 114.38 119.71 2ama h ARG 752 Ca 0.05 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2ama h ARG 752 Cb 0.40 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2ama h ARG 752 CO 0.01 0.67 0.05 0.77 -1.07 0.00 0.00 179.97 180.40 2ama h SER 753 N 1.05 0.74 0.36 7.04 0.02 -1.08 0.28 113.55 121.95 2ama h SER 753 Ca 0.38 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2ama h SER 753 Cb 0.13 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2ama h SER 753 CO -0.16 0.78 -0.17 0.15 -1.14 0.00 0.00 176.83 176.28 2ama h PHE 754 N 0.74 -0.45 0.00 3.45 3.57 -0.47 -0.33 116.94 123.45 2ama h PHE 754 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2ama h PHE 754 Cb 0.38 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2ama h PHE 754 CO 0.02 -0.12 0.00 1.79 -2.23 0.00 0.00 178.31 177.77 2ama h THR 755 N -0.85 0.00 0.00 4.41 1.35 -1.02 -2.15 112.91 114.65 2ama h THR 755 Ca -0.05 -0.44 -0.34 0.00 -0.55 0.00 0.00 66.41 65.03 2ama h THR 755 Cb 0.53 1.33 -0.06 0.00 -1.73 0.00 0.00 68.15 68.23 2ama h THR 755 CO 0.08 0.00 -2.22 0.59 -0.25 0.00 0.00 175.52 173.72 2ama n ASN 756 N -2.69 2.08 -0.50 5.36 3.02 0.08 -4.78 115.26 117.83 2ama n ASN 756 Ca 0.02 0.03 0.05 0.00 -0.03 0.00 0.00 54.58 54.65 2ama n ASN 756 Cb 0.30 -0.45 0.08 0.00 -0.61 0.00 0.00 39.78 39.10 2ama n ASN 756 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2ama n VAL 757 N -3.45 0.98 -4.01 2.41 0.24 -0.57 -5.01 118.33 108.92 2ama n VAL 757 Ca -0.40 -1.39 -0.29 0.00 -2.04 0.00 0.00 64.34 60.22 2ama n VAL 757 Cb 0.87 0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 33.43 2ama n VAL 757 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2ama n ASN 758 N -0.60 -2.15 0.00 -1.34 4.13 -0.67 -1.44 115.26 113.19 2ama n ASN 758 Ca 0.09 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.40 2ama n ASN 758 Cb 0.74 -3.22 0.00 0.00 -1.54 0.00 0.00 39.78 35.76 2ama n ASN 758 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2ama n SER 759 N -2.86 -1.70 -0.26 6.41 7.64 -0.24 -4.83 113.62 117.77 2ama n SER 759 Ca -0.13 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.73 2ama n SER 759 Cb 0.60 -2.27 0.10 0.00 -1.01 0.00 0.00 64.21 61.62 2ama n SER 759 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2ama h ARG 760 N 0.48 0.84 -4.73 1.43 3.08 -1.49 -3.45 114.38 110.54 2ama h ARG 760 Ca 0.00 -0.05 -0.29 0.00 0.07 0.00 0.00 59.98 59.71 2ama h ARG 760 Cb 0.25 -0.19 -0.15 0.00 0.08 0.00 0.00 29.97 29.97 2ama h ARG 760 CO 0.00 0.55 -0.63 -1.64 -1.07 0.00 0.00 179.97 177.19 2ama s MET 761 N -6.10 1.24 -0.42 0.04 -1.94 -1.26 -4.94 119.30 105.92 2ama s MET 761 Ca -0.13 -1.65 -0.21 0.00 -1.71 0.00 0.00 55.69 52.00 2ama s MET 761 Cb 0.16 -0.04 0.02 0.00 2.01 0.00 0.00 34.83 36.98 2ama s MET 761 CO 0.77 -0.29 0.67 -0.51 -0.01 0.00 0.00 175.02 175.65 2ama s LEU 762 N -3.21 4.39 -1.29 -0.03 1.43 -0.95 -4.78 118.68 114.25 2ama s LEU 762 Ca 0.34 -0.17 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 2ama s LEU 762 Cb 0.07 -2.78 0.13 0.00 0.03 0.00 0.00 46.19 43.64 2ama s LEU 762 CO 0.10 -0.76 1.74 0.00 0.23 0.00 0.00 176.35 177.67 2ama n TYR 763 N 6.29 4.11 -0.20 0.29 9.36 -1.26 -0.85 117.16 134.89 2ama n TYR 763 Ca -0.01 -3.04 -0.08 0.00 3.32 0.00 0.00 57.90 58.09 2ama n TYR 763 Cb 0.48 -2.26 0.02 0.00 -0.63 0.00 0.00 39.34 36.95 2ama n TYR 763 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2ama h PHE 764 N 6.64 0.94 -3.10 2.98 -1.00 -1.81 -3.41 116.94 118.19 2ama h PHE 764 Ca 0.40 -0.11 0.01 0.00 2.81 0.00 0.00 57.97 61.08 2ama h PHE 764 Cb 0.77 -0.26 -0.09 0.00 3.61 0.00 0.00 35.95 39.97 2ama h PHE 764 CO 1.26 0.81 0.16 0.00 -1.61 0.00 0.00 178.31 178.94 2ama s ALA 765 N -5.30 -1.27 0.53 2.45 0.00 -1.07 -4.96 121.76 112.15 2ama s ALA 765 Ca -0.13 0.00 0.20 0.00 0.00 0.00 0.00 51.96 52.03 2ama s ALA 765 Cb 0.12 0.87 1.38 0.00 0.00 0.00 0.00 23.12 25.49 2ama s ALA 765 CO 0.81 -0.87 2.14 -1.35 0.00 0.00 0.00 175.76 176.48 2ama h PRO 766 N 2.06 0.00 -0.55 0.00 0.11 -1.90 -1.26 132.00 130.45 2ama h PRO 766 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2ama h PRO 766 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2ama h PRO 766 CO 0.33 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.72 2ama n ASP 767 N -4.39 4.13 -3.10 -2.05 5.75 -1.26 -4.67 116.55 110.97 2ama n ASP 767 Ca -0.01 -2.34 -0.18 0.00 -0.01 0.00 0.00 54.79 52.26 2ama n ASP 767 Cb 0.19 -0.48 -0.04 0.00 -1.03 0.00 0.00 41.12 39.75 2ama n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2ama n LEU 768 N 0.90 -1.46 -4.55 -2.12 7.94 -0.48 -4.48 117.00 112.75 2ama n LEU 768 Ca 0.22 -3.92 -0.35 0.00 -1.11 0.00 0.00 56.01 50.85 2ama n LEU 768 Cb 0.74 0.66 -0.11 0.00 0.53 0.00 0.00 43.42 45.25 2ama n LEU 768 CO 0.18 1.94 -0.26 -0.69 -1.11 0.00 0.00 177.39 177.46 2ama s VAL 769 N 0.10 4.61 -0.20 1.96 1.01 -1.25 -2.45 120.40 124.19 2ama s VAL 769 Ca 0.32 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 2ama s VAL 769 Cb 0.08 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 2ama s VAL 769 CO -0.15 0.40 0.57 -0.36 0.00 0.00 0.00 175.10 175.56 2ama s PHE 770 N 0.96 3.37 0.59 5.22 0.40 -0.03 -4.96 117.98 123.53 2ama s PHE 770 Ca 0.04 0.85 0.09 0.00 -0.60 0.00 0.00 56.93 57.31 2ama s PHE 770 Cb -0.14 -2.73 0.09 0.00 0.51 0.00 0.00 43.02 40.75 2ama s PHE 770 CO 0.03 -0.14 0.77 0.54 0.70 0.00 0.00 175.22 177.12 2ama s ASN 771 N 1.18 4.98 0.34 1.36 2.20 -1.26 -2.24 114.94 121.50 2ama s ASN 771 Ca 0.26 -0.95 0.06 0.00 -0.94 0.00 0.00 52.86 51.29 2ama s ASN 771 Cb -0.16 0.43 0.72 0.00 -2.00 0.00 0.00 41.25 40.25 2ama s ASN 771 CO 0.10 -1.38 1.89 -0.33 -2.94 0.00 0.00 177.10 174.44 2ama h GLU 772 N 0.20 0.78 -0.30 3.55 4.39 -1.98 -1.47 114.58 119.75 2ama h GLU 772 Ca -0.29 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 2ama h GLU 772 Cb 1.29 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2ama h GLU 772 CO 0.42 0.51 0.17 -0.92 -1.16 0.00 0.00 179.01 178.04 2ama h TYR 773 N 0.80 0.41 -0.36 4.33 3.20 -2.00 -2.16 116.97 121.19 2ama h TYR 773 Ca 0.42 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.18 2ama h TYR 773 Cb 0.51 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2ama h TYR 773 CO -0.00 0.32 -0.19 0.00 -1.64 0.00 0.00 178.16 176.65 2ama h ARG 774 N 0.38 0.67 -0.48 1.82 3.08 -1.74 -0.76 114.38 117.35 2ama h ARG 774 Ca 0.11 -0.25 0.04 0.00 0.07 0.00 0.00 59.98 59.96 2ama h ARG 774 Cb 0.05 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2ama h ARG 774 CO -0.02 0.82 0.32 0.52 -1.07 0.00 0.00 179.97 180.54 2ama h MET 775 N 0.60 0.46 0.11 0.04 2.86 -1.01 0.24 114.93 118.23 2ama h MET 775 Ca 0.09 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.54 2ama h MET 775 Cb 0.66 -0.10 0.02 0.00 0.06 0.00 0.00 31.60 32.23 2ama h MET 775 CO 0.05 0.30 -0.72 1.25 1.06 0.00 0.00 176.91 178.86 2ama h HIS 776 N 0.47 0.50 0.00 -0.22 -0.00 -0.81 -2.39 115.15 112.71 2ama h HIS 776 Ca 0.20 -0.35 -0.03 0.00 -0.00 0.00 0.00 60.37 60.18 2ama h HIS 776 Cb 0.19 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 2ama h HIS 776 CO -0.00 1.26 -0.15 0.87 -0.00 0.00 0.00 177.93 179.91 2ama h LYS 777 N -0.40 0.00 0.00 5.26 1.79 -0.81 -1.81 116.57 120.60 2ama h LYS 777 Ca -0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2ama h LYS 777 Cb 1.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 2ama h LYS 777 CO 0.14 0.15 0.00 -1.13 -1.08 0.00 0.00 179.45 177.52 2ama n SER 778 N -3.45 0.12 -1.55 0.86 3.41 0.04 -3.79 113.62 109.26 2ama n SER 778 Ca -0.01 0.52 -0.18 0.00 -0.26 0.00 0.00 58.87 58.94 2ama n SER 778 Cb 0.32 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 2ama n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ama n ARG 779 N -1.62 -1.30 -1.17 4.33 1.74 -0.68 -4.85 116.66 113.11 2ama n ARG 779 Ca 0.05 1.07 -0.01 0.00 -0.77 0.00 0.00 57.85 58.20 2ama n ARG 779 Cb 0.28 -5.40 0.13 0.00 -1.02 0.00 0.00 32.46 26.45 2ama n ARG 779 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2ama n MET 780 N -2.54 1.76 -0.08 5.56 2.81 -1.22 -4.88 117.12 118.52 2ama n MET 780 Ca -0.19 -3.29 -0.07 0.00 -1.81 0.00 0.00 57.70 52.34 2ama n MET 780 Cb 0.61 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.63 2ama n MET 780 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 2ama h TYR 781 N 1.34 0.18 -0.96 2.03 3.20 -1.73 0.14 116.97 121.18 2ama h TYR 781 Ca 0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2ama h TYR 781 Cb 1.27 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.46 2ama h TYR 781 CO 0.67 0.08 0.59 0.66 -1.64 0.00 0.00 178.16 178.52 2ama h SER 782 N 0.24 1.14 -0.43 -2.11 4.64 -1.90 -0.88 113.55 114.25 2ama h SER 782 Ca 0.14 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 2ama h SER 782 Cb 0.11 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2ama h SER 782 CO -0.14 0.86 -0.20 1.56 -0.87 0.00 0.00 176.83 178.04 2ama h GLN 783 N 1.32 0.93 -0.38 4.77 7.50 -1.78 -2.79 115.11 124.68 2ama h GLN 783 Ca 0.35 -0.38 -0.06 0.00 0.50 0.00 0.00 58.65 59.05 2ama h GLN 783 Cb -0.08 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.39 2ama h GLN 783 CO -0.07 1.04 -0.04 0.00 -1.50 0.00 0.00 178.83 178.26 2ama h VAL 785 N 0.58 0.99 -0.99 0.00 2.07 -0.99 0.21 116.25 118.11 2ama h VAL 785 Ca 0.12 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2ama h VAL 785 Cb 0.42 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2ama h VAL 785 CO 0.02 0.03 0.64 0.03 0.02 0.00 0.00 177.57 178.31 2ama h ARG 786 N 0.14 1.30 -0.44 1.57 3.08 -1.23 0.07 114.38 118.88 2ama h ARG 786 Ca 0.06 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 2ama h ARG 786 Cb 0.02 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 2ama h ARG 786 CO -0.04 0.87 -0.20 0.52 -1.07 0.00 0.00 179.97 180.05 2ama h MET 787 N 1.34 0.87 -0.17 0.04 2.86 -0.67 -0.54 114.93 118.66 2ama h MET 787 Ca 0.36 -0.35 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 2ama h MET 787 Cb -0.14 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 2ama h MET 787 CO -0.08 0.99 -0.43 -0.09 1.06 0.00 0.00 176.91 178.36 2ama h ARG 788 N 0.76 0.40 -0.35 1.72 2.43 -0.18 -1.14 114.38 118.03 2ama h ARG 788 Ca 0.11 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2ama h ARG 788 Cb 0.73 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 2ama h ARG 788 CO 0.06 0.76 0.16 1.25 -1.51 0.00 0.00 179.97 180.69 2ama h HIS 789 N 0.33 0.52 -0.60 2.20 2.76 -0.64 0.50 115.15 120.22 2ama h HIS 789 Ca 0.03 -0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 2ama h HIS 789 Cb 0.90 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 29.65 2ama h HIS 789 CO 0.03 0.46 0.32 1.25 -1.30 0.00 0.00 177.93 178.69 2ama h LEU 790 N 0.43 0.48 -0.73 0.26 5.85 -0.75 -1.63 115.31 119.21 2ama h LEU 790 Ca 0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2ama h LEU 790 Cb 0.15 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2ama h LEU 790 CO -0.01 0.32 0.46 -1.28 -0.34 0.00 0.00 178.44 177.58 2ama h SER 791 N 0.61 0.87 -0.19 1.25 0.87 -0.65 -1.96 113.55 114.35 2ama h SER 791 Ca 0.27 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2ama h SER 791 Cb 0.16 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2ama h SER 791 CO -0.17 0.66 0.07 1.56 -0.53 0.00 0.00 176.83 178.42 2ama h GLN 792 N 1.00 0.34 -0.71 2.24 4.20 -0.20 -2.08 115.11 119.90 2ama h GLN 792 Ca 0.26 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.98 2ama h GLN 792 Cb -0.06 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 2ama h GLN 792 CO -0.05 0.31 0.47 0.93 -0.67 0.00 0.00 178.83 179.82 2ama h GLU 793 N 0.35 0.79 -0.47 1.46 4.39 -0.51 0.04 114.58 120.62 2ama h GLU 793 Ca 0.09 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.80 2ama h GLU 793 Cb 0.12 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2ama h GLU 793 CO -0.01 0.52 0.32 0.74 -1.16 0.00 0.00 179.01 179.42 2ama h PHE 794 N 0.81 0.38 0.04 4.33 0.04 -1.36 0.20 116.94 121.38 2ama h PHE 794 Ca 0.29 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.98 2ama h PHE 794 Cb 0.13 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.16 2ama h PHE 794 CO -0.00 0.20 -0.45 0.78 -0.60 0.00 0.00 178.31 178.24 2ama h GLY 795 N 0.37 0.09 1.32 -1.45 0.00 -1.21 -1.23 103.07 100.96 2ama h GLY 795 Ca 0.21 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.36 2ama h GLY 795 CO -0.05 0.20 0.34 1.49 0.00 0.00 0.00 176.54 178.52 2ama h TRP 796 N -0.82 0.47 -0.01 5.60 6.55 -0.62 -1.58 115.95 125.55 2ama h TRP 796 Ca -0.10 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.75 2ama h TRP 796 Cb 1.23 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 29.37 2ama h TRP 796 CO 0.23 0.26 -0.49 1.28 -1.05 0.00 0.00 178.44 178.67 2ama n LEU 797 N -4.48 1.07 -3.64 -4.49 4.77 0.67 -4.97 117.00 105.94 2ama n LEU 797 Ca 0.06 -0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 55.49 2ama n LEU 797 Cb 0.22 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2ama n LEU 797 CO 0.34 0.22 0.14 0.00 -1.33 0.00 0.00 177.39 176.76 2ama n GLN 798 N -0.91 -6.67 -1.77 3.23 6.02 -0.59 -4.90 117.38 111.78 2ama n GLN 798 Ca 0.08 0.76 -0.42 0.00 -0.01 0.00 0.00 57.00 57.41 2ama n GLN 798 Cb 0.36 -5.69 -0.03 0.00 1.02 0.00 0.00 30.24 25.90 2ama n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2ama s ILE 799 N -3.38 2.22 0.43 5.09 -1.09 -0.51 -4.99 121.20 118.97 2ama s ILE 799 Ca 0.36 0.12 -0.09 0.00 -2.23 0.00 0.00 60.65 58.81 2ama s ILE 799 Cb -0.17 -3.08 -0.06 0.00 -1.58 0.00 0.00 42.46 37.58 2ama s ILE 799 CO 0.76 0.01 0.79 0.42 -1.23 0.00 0.00 174.94 175.69 2ama s THR 800 N 1.35 4.81 0.35 2.92 -4.23 -1.26 -4.89 115.64 114.68 2ama s THR 800 Ca 0.74 0.55 0.07 0.00 -1.18 0.00 0.00 61.69 61.87 2ama s THR 800 Cb -0.48 -3.77 0.31 0.00 1.34 0.00 0.00 72.50 69.90 2ama s THR 800 CO 0.32 -0.62 1.90 -0.65 -0.54 0.00 0.00 174.62 175.03 2ama h PRO 801 N 0.97 0.72 -0.35 3.99 0.11 -1.99 0.24 132.00 135.69 2ama h PRO 801 Ca -0.47 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 2ama h PRO 801 Cb 1.19 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2ama h PRO 801 CO 0.63 0.48 -0.30 1.96 -0.21 0.00 0.00 178.00 180.56 2ama h GLN 802 N 0.74 0.75 -0.30 1.05 7.50 -2.00 -1.80 115.11 121.05 2ama h GLN 802 Ca 0.40 -0.34 -0.14 0.00 0.50 0.00 0.00 58.65 59.08 2ama h GLN 802 Cb 0.53 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.04 2ama h GLN 802 CO -0.17 0.95 -0.35 0.93 -1.50 0.00 0.00 178.83 178.70 2ama h GLU 803 N 0.64 0.77 -0.26 1.46 5.08 -1.48 -2.83 114.58 117.96 2ama h GLU 803 Ca 0.07 -0.42 0.05 0.00 -1.00 0.00 0.00 59.36 58.06 2ama h GLU 803 Cb 0.83 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 2ama h GLU 803 CO 0.07 1.05 -0.04 0.35 -1.00 0.00 0.00 179.01 179.44 2ama h PHE 804 N 0.53 -0.09 -0.47 4.33 3.57 -0.44 -1.07 116.94 123.30 2ama h PHE 804 Ca 0.04 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.60 2ama h PHE 804 Cb 0.93 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 2ama h PHE 804 CO 0.07 -0.09 0.24 -0.07 -2.23 0.00 0.00 178.31 176.24 2ama h LEU 805 N 0.03 0.36 -0.55 0.59 3.38 -1.29 -0.02 115.31 117.80 2ama h LEU 805 Ca 0.12 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2ama h LEU 805 Cb 0.18 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2ama h LEU 805 CO -0.25 0.25 0.07 0.00 0.09 0.00 0.00 178.44 178.60 2ama h MET 807 N 0.82 0.86 -0.63 0.00 2.86 -0.89 -1.71 114.93 116.23 2ama h MET 807 Ca 0.16 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2ama h MET 807 Cb 0.44 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2ama h MET 807 CO 0.01 0.79 0.32 -0.22 1.06 0.00 0.00 176.91 178.88 2ama h LYS 808 N 0.77 0.90 -0.40 1.72 3.64 -0.87 -1.77 116.57 120.55 2ama h LYS 808 Ca 0.18 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2ama h LYS 808 Cb 0.29 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2ama h LYS 808 CO -0.00 0.71 0.23 0.00 -2.27 0.00 0.00 179.45 178.11 2ama h ALA 809 N 1.15 0.50 -0.36 5.00 0.00 -1.14 -1.69 119.26 122.72 2ama h ALA 809 Ca 0.22 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2ama h ALA 809 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ama h ALA 809 CO -0.03 -0.10 0.24 -0.07 0.00 0.00 0.00 179.25 179.29 2ama h LEU 810 N 0.47 0.28 -2.00 0.00 3.38 -0.84 -1.46 115.31 115.13 2ama h LEU 810 Ca 0.16 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2ama h LEU 810 Cb 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2ama h LEU 810 CO -0.08 0.19 -0.01 -0.07 0.09 0.00 0.00 178.44 178.57 2ama h LEU 811 N 0.33 0.00 -1.65 1.67 3.38 -0.44 -0.47 115.31 118.13 2ama h LEU 811 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2ama h LEU 811 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2ama h LEU 811 CO -0.03 0.01 -0.20 0.25 0.09 0.00 0.00 178.44 178.55 2ama h LEU 812 N 0.00 0.00 -3.88 1.67 5.85 -1.21 -2.91 115.31 114.82 2ama h LEU 812 Ca -0.00 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.11 2ama h LEU 812 Cb 0.01 0.00 -0.34 0.00 0.37 0.00 0.00 40.66 40.70 2ama h LEU 812 CO 0.00 0.20 0.15 0.49 -0.34 0.00 0.00 178.44 178.94 2ama n PHE 813 N -3.97 2.97 -0.57 1.25 3.72 -0.19 -4.63 117.46 116.04 2ama n PHE 813 Ca -0.02 -2.64 0.05 0.00 -0.05 0.00 0.00 57.45 54.78 2ama n PHE 813 Cb 0.28 -0.96 0.06 0.00 -0.94 0.00 0.00 39.48 37.92 2ama n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2ama n SER 814 N -0.84 2.04 -3.64 4.37 7.64 -1.10 -4.94 113.62 117.14 2ama n SER 814 Ca 0.54 -2.46 -0.04 0.00 1.01 0.00 0.00 58.87 57.92 2ama n SER 814 Cb 0.81 -0.20 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 2ama n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2ama s ILE 815 N -1.79 -0.86 0.19 0.44 2.07 -1.26 0.31 121.20 120.30 2ama s ILE 815 Ca 0.14 0.07 -0.05 0.00 -1.41 0.00 0.00 60.65 59.40 2ama s ILE 815 Cb 0.13 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 2ama s ILE 815 CO 0.01 0.03 0.21 0.27 -1.91 0.00 0.00 174.94 173.55 2ama s ILE 816 N 2.78 0.03 0.28 2.00 -4.36 -0.95 -4.73 121.20 116.25 2ama s ILE 816 Ca -0.04 -1.76 -0.30 0.00 -0.26 0.00 0.00 60.65 58.29 2ama s ILE 816 Cb -0.12 -2.23 -0.11 0.00 1.25 0.00 0.00 42.46 41.26 2ama s ILE 816 CO -0.17 -0.15 1.48 -2.84 0.24 0.00 0.00 174.94 173.51 2ama s PRO 817 N -4.07 4.21 0.46 0.37 0.02 -1.26 -1.76 135.00 132.97 2ama s PRO 817 Ca 0.29 2.41 0.11 0.00 0.02 0.00 0.00 61.00 63.82 2ama s PRO 817 Cb 0.05 -3.07 1.03 0.00 0.02 0.00 0.00 34.50 32.53 2ama s PRO 817 CO 0.07 -0.48 2.09 0.28 -0.33 0.00 0.00 177.00 178.63 2ama h VAL 818 N 3.41 1.06 -0.05 3.83 2.07 -1.36 0.17 116.25 125.39 2ama h VAL 818 Ca -0.47 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2ama h VAL 818 Cb 1.22 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2ama h VAL 818 CO 0.76 0.06 0.00 0.47 0.02 0.00 0.00 177.57 178.89 2ama n ASP 819 N -4.50 0.35 0.00 0.57 9.92 -1.26 -5.00 116.55 116.63 2ama n ASP 819 Ca 0.00 -1.66 0.00 0.00 -0.53 0.00 0.00 54.79 52.60 2ama n ASP 819 Cb 0.08 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 2ama n ASP 819 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ama n GLY 820 N 0.77 -0.86 4.00 0.44 0.00 0.59 -5.03 105.19 105.10 2ama n GLY 820 Ca 0.10 -1.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 2ama n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ama s LEU 821 N -3.01 3.08 0.11 0.99 1.43 -1.26 -4.61 118.68 115.42 2ama s LEU 821 Ca 0.00 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 2ama s LEU 821 Cb 0.00 -2.08 -0.08 0.00 0.03 0.00 0.00 46.19 44.06 2ama s LEU 821 CO 0.00 -1.58 1.74 0.11 0.23 0.00 0.00 176.35 176.85 2ama h LYS 822 N -0.22 0.09 -2.90 1.70 1.57 -1.95 -3.27 116.57 111.58 2ama h LYS 822 Ca -0.36 -0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 57.80 2ama h LYS 822 Cb 1.28 -0.02 -0.41 0.00 0.08 0.00 0.00 32.23 33.16 2ama h LYS 822 CO 0.42 0.06 -0.67 -1.71 -0.57 0.00 0.00 179.45 176.98 2ama n ASN 823 N -5.08 2.23 -0.21 0.86 2.85 -1.26 -4.95 115.26 109.70 2ama n ASN 823 Ca -0.04 -3.02 0.06 0.00 -0.11 0.00 0.00 54.58 51.46 2ama n ASN 823 Cb 0.06 -0.71 0.32 0.00 1.24 0.00 0.00 39.78 40.70 2ama n ASN 823 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2ama h GLN 824 N 5.41 0.80 -0.88 1.20 5.75 -1.96 -2.78 115.11 122.66 2ama h GLN 824 Ca 0.18 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 2ama h GLN 824 Cb 0.79 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 29.11 2ama h GLN 824 CO 0.64 0.53 0.57 0.87 -2.65 0.00 0.00 178.83 178.79 2ama h LYS 825 N 0.83 1.10 -0.62 1.69 1.57 -1.93 0.76 116.57 119.97 2ama h LYS 825 Ca 0.33 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2ama h LYS 825 Cb 0.24 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2ama h LYS 825 CO -0.11 0.73 0.12 0.74 -0.57 0.00 0.00 179.45 180.35 2ama h PHE 826 N 1.13 1.04 -0.09 -1.35 0.05 -1.87 -2.13 116.94 113.72 2ama h PHE 826 Ca 0.34 -0.13 -0.01 0.00 3.82 0.00 0.00 57.97 62.00 2ama h PHE 826 Cb -0.04 -0.29 -0.00 0.00 2.00 0.00 0.00 35.95 37.61 2ama h PHE 826 CO -0.02 0.88 0.02 0.35 -0.18 0.00 0.00 178.31 179.36 2ama h PHE 827 N 0.94 0.16 -0.85 -0.55 3.57 -1.28 -2.20 116.94 116.73 2ama h PHE 827 Ca 0.19 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.74 2ama h PHE 827 Cb 0.38 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 2ama h PHE 827 CO 0.03 0.34 0.52 -0.44 -2.23 0.00 0.00 178.31 176.53 2ama h ASP 828 N -0.06 0.81 -0.09 0.41 3.32 -0.68 0.86 116.42 120.99 2ama h ASP 828 Ca 0.03 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 2ama h ASP 828 Cb 0.26 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2ama h ASP 828 CO 0.00 0.51 -0.31 -0.33 -1.72 0.00 0.00 179.24 177.39 2ama h GLU 829 N 0.94 0.57 -0.12 3.56 3.07 -1.34 -1.39 114.58 119.87 2ama h GLU 829 Ca 0.38 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 58.95 2ama h GLU 829 Cb 0.20 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2ama h GLU 829 CO -0.18 0.82 -0.08 1.25 -1.40 0.00 0.00 179.01 179.42 2ama h LEU 830 N 0.49 0.28 -0.91 1.33 5.85 -0.72 -1.97 115.31 119.65 2ama h LEU 830 Ca 0.06 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2ama h LEU 830 Cb 0.78 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2ama h LEU 830 CO 0.06 0.65 0.52 -0.09 -0.34 0.00 0.00 178.44 179.25 2ama h ARG 831 N -0.09 1.26 -0.56 1.25 2.43 -0.76 -2.02 114.38 115.89 2ama h ARG 831 Ca 0.03 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2ama h ARG 831 Cb 0.55 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2ama h ARG 831 CO 0.02 0.90 0.35 1.98 -1.51 0.00 0.00 179.97 181.72 2ama h MET 832 N 1.27 0.69 -0.08 0.20 4.05 -1.17 -1.15 114.93 118.74 2ama h MET 832 Ca 0.32 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.61 2ama h MET 832 Cb -0.01 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 2ama h MET 832 CO -0.06 0.46 -0.38 -0.91 0.23 0.00 0.00 176.91 176.25 2ama h ASN 833 N 0.71 0.18 0.85 1.39 -0.26 -0.92 -1.65 115.58 115.88 2ama h ASN 833 Ca 0.21 -0.07 -0.17 0.00 -0.56 0.00 0.00 56.30 55.71 2ama h ASN 833 Cb -0.04 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 2ama h ASN 833 CO -0.07 0.55 -0.82 1.88 -1.06 0.00 0.00 177.43 177.91 2ama h TYR 834 N 0.15 0.00 -0.36 1.19 0.05 -1.00 -1.91 116.97 115.09 2ama h TYR 834 Ca 0.02 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.64 2ama h TYR 834 Cb 0.74 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 2ama h TYR 834 CO 0.01 0.82 -0.39 0.82 -1.05 0.00 0.00 178.16 178.37 2ama h ILE 835 N 0.00 1.28 -0.21 -2.88 2.04 -0.94 -2.47 117.51 114.33 2ama h ILE 835 Ca -0.01 -1.56 -0.08 0.00 1.00 0.00 0.00 64.86 64.21 2ama h ILE 835 Cb 1.47 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2ama h ILE 835 CO 0.11 0.52 -0.23 0.11 0.00 0.00 0.00 178.15 178.65 2ama h LYS 836 N 0.71 0.38 -0.29 2.37 1.57 -1.19 -2.26 116.57 117.86 2ama h LYS 836 Ca 0.06 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 2ama h LYS 836 Cb 0.97 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 2ama h LYS 836 CO 0.09 0.59 -0.38 0.93 -0.57 0.00 0.00 179.45 180.12 2ama h GLU 837 N 0.34 0.68 -0.17 3.15 4.39 -1.17 -0.54 114.58 121.26 2ama h GLU 837 Ca 0.06 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 2ama h GLU 837 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2ama h GLU 837 CO 0.04 0.95 0.09 1.25 -1.16 0.00 0.00 179.01 180.18 2ama h LEU 838 N 0.56 0.21 -1.29 1.33 5.85 -1.11 -1.59 115.31 119.27 2ama h LEU 838 Ca 0.05 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2ama h LEU 838 Cb 0.90 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2ama h LEU 838 CO 0.08 0.25 0.34 -0.78 -0.34 0.00 0.00 178.44 177.99 2ama h ASP 839 N 0.16 0.73 0.48 1.25 -0.00 -1.29 -2.44 116.42 115.32 2ama h ASP 839 Ca 0.06 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.03 57.02 2ama h ASP 839 Cb 0.08 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 39.23 2ama h ASP 839 CO -0.01 0.58 -0.23 -0.09 -0.00 0.00 0.00 179.24 179.49 2ama h ARG 840 N 0.83 -0.63 0.00 0.28 2.43 -0.46 -2.10 114.38 114.74 2ama h ARG 840 Ca 0.22 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2ama h ARG 840 Cb 0.00 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2ama h ARG 840 CO -0.04 -0.39 0.00 -0.84 -1.51 0.00 0.00 179.97 177.19 2ama h ILE 841 N -0.71 0.00 -0.44 1.20 3.07 -1.18 0.37 117.51 119.82 2ama h ILE 841 Ca -0.07 -0.17 -0.13 0.00 1.55 0.00 0.00 64.86 66.04 2ama h ILE 841 Cb 0.53 1.17 -0.01 0.00 -0.27 0.00 0.00 36.82 38.23 2ama h ILE 841 CO 0.11 0.00 -0.22 0.40 -1.05 0.00 0.00 178.15 177.39 2ama h ILE 842 N 0.00 1.27 -3.36 0.16 1.08 -0.91 -3.50 117.51 112.25 2ama h ILE 842 Ca 0.00 -1.38 -0.54 0.00 -0.39 0.00 0.00 64.86 62.55 2ama h ILE 842 Cb 0.17 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 2ama h ILE 842 CO 0.00 0.47 0.42 0.00 -0.69 0.00 0.00 178.15 178.35 2ama s ALA 843 N -4.63 3.23 0.00 1.87 0.00 0.12 -4.94 121.76 117.40 2ama s ALA 843 Ca -0.12 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2ama s ALA 843 Cb 0.11 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2ama s ALA 843 CO 0.86 -0.32 0.00 -2.37 0.00 0.00 0.00 175.76 173.93 2ama n THR 850 N 4.01 0.00 -0.08 0.00 5.66 -1.26 -4.93 114.28 117.68 2ama n THR 850 Ca 0.07 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.97 2ama n THR 850 Cb 0.50 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.23 2ama n THR 850 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2ama h SER 851 N 0.00 0.00 -0.81 1.09 0.87 -2.03 -3.21 113.55 109.45 2ama h SER 851 Ca 0.00 -0.26 0.10 0.00 -1.23 0.00 0.00 61.79 60.40 2ama h SER 851 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 2ama h SER 851 CO 0.00 0.93 0.53 0.00 -0.53 0.00 0.00 176.83 177.76 2ama h SER 853 N 0.74 0.72 -0.21 0.00 0.02 -2.00 -0.22 113.55 112.60 2ama h SER 853 Ca 0.38 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 2ama h SER 853 Cb 0.47 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2ama h SER 853 CO -0.15 0.70 0.07 0.03 -1.14 0.00 0.00 176.83 176.34 2ama h ARG 854 N 0.69 0.32 0.08 3.45 -0.00 -1.15 -1.56 114.38 116.21 2ama h ARG 854 Ca 0.17 -0.07 0.01 0.00 -0.50 0.00 0.00 59.98 59.59 2ama h ARG 854 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 2ama h ARG 854 CO -0.01 0.42 -0.09 -0.09 0.00 0.00 0.00 179.97 180.19 2ama h ARG 855 N 0.17 -0.18 -0.70 0.04 9.65 -0.84 -0.66 114.38 121.86 2ama h ARG 855 Ca 0.07 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 2ama h ARG 855 Cb 0.22 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.81 2ama h ARG 855 CO -0.00 -0.12 0.45 0.35 2.80 0.00 0.00 179.97 183.44 2ama h PHE 856 N -0.19 0.84 -0.92 2.20 3.57 -1.03 -0.69 116.94 120.72 2ama h PHE 856 Ca 0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 2ama h PHE 856 Cb 0.19 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 2ama h PHE 856 CO -0.12 0.50 0.60 -0.92 -2.23 0.00 0.00 178.31 176.14 2ama h TYR 857 N 0.89 1.12 -0.27 0.41 3.20 -0.94 -1.33 116.97 120.05 2ama h TYR 857 Ca 0.27 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.05 2ama h TYR 857 Cb -0.03 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 37.86 2ama h TYR 857 CO -0.03 0.63 -0.28 1.96 -1.64 0.00 0.00 178.16 178.80 2ama h GLN 858 N 1.14 0.67 -0.50 1.82 4.20 -0.26 -2.15 115.11 120.03 2ama h GLN 858 Ca 0.37 -0.36 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 2ama h GLN 858 Cb 0.03 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2ama h GLN 858 CO -0.13 0.97 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.76 2ama h LEU 859 N 0.40 1.02 -1.06 1.46 3.38 -0.95 -0.45 115.31 119.11 2ama h LEU 859 Ca 0.04 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 2ama h LEU 859 Cb 0.85 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2ama h LEU 859 CO 0.07 1.16 -0.16 0.71 0.09 0.00 0.00 178.44 180.31 2ama h THR 860 N 0.86 1.24 -0.54 0.22 1.35 -1.28 0.80 112.91 115.56 2ama h THR 860 Ca 0.12 -1.08 -0.08 0.00 -0.55 0.00 0.00 66.41 64.81 2ama h THR 860 Cb 0.74 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 2ama h THR 860 CO 0.06 0.35 0.01 0.11 -0.25 0.00 0.00 175.52 175.80 2ama h LYS 861 N 0.43 0.94 -0.48 4.72 1.79 -1.09 -1.42 116.57 121.46 2ama h LYS 861 Ca 0.08 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.22 2ama h LYS 861 Cb 0.54 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 2ama h LYS 861 CO 0.03 0.95 0.18 1.25 -1.08 0.00 0.00 179.45 180.78 2ama h LEU 862 N 0.82 0.68 -0.39 2.94 5.85 -0.34 -2.40 115.31 122.47 2ama h LEU 862 Ca 0.15 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2ama h LEU 862 Cb 0.51 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2ama h LEU 862 CO 0.02 0.68 0.18 -0.07 -0.34 0.00 0.00 178.44 178.92 2ama h LEU 863 N 0.64 0.26 -1.08 2.25 3.38 -0.64 -2.18 115.31 117.94 2ama h LEU 863 Ca 0.16 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.24 2ama h LEU 863 Cb 0.22 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 2ama h LEU 863 CO -0.01 0.19 0.62 0.44 0.09 0.00 0.00 178.44 179.77 2ama h ASP 864 N 0.38 0.93 0.23 -0.43 5.19 -1.02 -1.86 116.42 119.83 2ama h ASP 864 Ca 0.17 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 2ama h ASP 864 Cb 0.09 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.43 2ama h ASP 864 CO -0.13 0.55 0.00 0.77 -3.12 0.00 0.00 179.24 177.31 2ama h SER 865 N 1.03 0.00 -0.24 6.45 4.64 -0.89 -2.12 113.55 122.42 2ama h SER 865 Ca 0.44 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.62 2ama h SER 865 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2ama h SER 865 CO -0.20 0.00 -0.36 0.58 -0.87 0.00 0.00 176.83 175.98 2ama h VAL 866 N 0.00 1.28 -0.38 0.95 2.07 -1.29 -3.32 116.25 115.56 2ama h VAL 866 Ca 0.00 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.05 2ama h VAL 866 Cb 0.11 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2ama h VAL 866 CO 0.00 0.50 0.10 1.56 0.02 0.00 0.00 177.57 179.75 2ama h GLN 867 N 0.64 0.22 -0.84 1.57 1.08 -1.51 -0.40 115.11 115.88 2ama h GLN 867 Ca 0.06 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2ama h GLN 867 Cb 0.91 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.25 2ama h GLN 867 CO 0.08 0.15 0.50 -1.35 -0.95 0.00 0.00 178.83 177.26 2ama h PRO 868 N 0.23 1.15 -0.43 1.46 0.11 -1.71 -0.83 132.00 131.97 2ama h PRO 868 Ca 0.18 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 2ama h PRO 868 Cb 0.20 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 2ama h PRO 868 CO -0.22 0.81 0.12 0.82 -0.21 0.00 0.00 178.00 179.31 2ama h ILE 869 N 1.16 1.23 -0.84 4.15 2.04 -1.52 -2.14 117.51 121.59 2ama h ILE 869 Ca 0.30 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 2ama h ILE 869 Cb -0.04 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2ama h ILE 869 CO -0.06 0.27 0.39 0.00 0.00 0.00 0.00 178.15 178.76 2ama h ALA 870 N 0.97 1.11 -0.56 1.87 0.00 -0.58 -2.25 119.26 119.81 2ama h ALA 870 Ca 0.14 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2ama h ALA 870 Cb 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ama h ALA 870 CO -0.00 0.67 0.04 -0.09 0.00 0.00 0.00 179.25 179.87 2ama h ARG 871 N 1.20 0.94 -0.54 0.00 2.43 -0.93 0.65 114.38 118.13 2ama h ARG 871 Ca 0.29 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2ama h ARG 871 Cb 0.13 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2ama h ARG 871 CO -0.03 0.90 0.11 0.93 -1.51 0.00 0.00 179.97 180.37 2ama h GLU 872 N 0.87 0.83 0.00 0.20 5.08 -1.08 -1.29 114.58 119.20 2ama h GLU 872 Ca 0.17 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 2ama h GLU 872 Cb 0.45 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2ama h GLU 872 CO 0.02 0.76 -0.74 -0.07 -1.00 0.00 0.00 179.01 177.98 2ama h LEU 873 N 0.80 0.00 -0.23 1.33 3.38 -0.91 -1.79 115.31 117.89 2ama h LEU 873 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2ama h LEU 873 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2ama h LEU 873 CO 0.00 0.74 0.01 0.45 0.09 0.00 0.00 178.44 179.73 2ama h HIS 874 N 0.00 0.43 -0.40 1.13 3.86 -0.42 0.35 115.15 120.09 2ama h HIS 874 Ca -0.01 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2ama h HIS 874 Cb 1.32 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.66 2ama h HIS 874 CO 0.00 0.56 0.21 0.37 0.86 0.00 0.00 177.93 179.94 2ama h GLN 875 N 0.17 0.57 -0.25 2.45 5.75 -1.20 -0.98 115.11 121.61 2ama h GLN 875 Ca 0.07 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2ama h GLN 875 Cb 0.38 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2ama h GLN 875 CO 0.01 0.47 0.09 0.35 -2.65 0.00 0.00 178.83 177.10 2ama h PHE 876 N 0.52 0.40 -0.16 3.99 3.04 -1.21 -1.21 116.94 122.30 2ama h PHE 876 Ca 0.14 -0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.95 2ama h PHE 876 Cb 0.07 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 2ama h PHE 876 CO -0.02 0.43 -0.38 0.00 -2.02 0.00 0.00 178.31 176.32 2ama h THR 877 N 0.25 1.30 0.34 4.41 1.03 -0.85 -0.53 112.91 118.85 2ama h THR 877 Ca 0.08 -1.48 -0.02 0.00 -0.01 0.00 0.00 66.41 64.98 2ama h THR 877 Cb 0.21 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 68.89 2ama h THR 877 CO -0.00 0.45 -0.16 0.15 -0.01 0.00 0.00 175.52 175.95 2ama h PHE 878 N 0.29 -0.42 -0.80 0.00 3.57 -1.01 0.67 116.94 119.24 2ama h PHE 878 Ca 0.03 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2ama h PHE 878 Cb 0.81 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 2ama h PHE 878 CO 0.02 -0.14 0.49 -0.44 -2.23 0.00 0.00 178.31 176.01 2ama h ASP 879 N -0.66 0.78 -0.57 0.41 3.32 -1.13 -1.53 116.42 117.04 2ama h ASP 879 Ca -0.05 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2ama h ASP 879 Cb 0.47 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2ama h ASP 879 CO 0.08 0.51 0.20 0.25 -1.72 0.00 0.00 179.24 178.57 2ama h LEU 880 N 0.92 0.85 -0.57 1.55 5.85 -0.92 -2.25 115.31 120.73 2ama h LEU 880 Ca 0.34 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2ama h LEU 880 Cb 0.12 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2ama h LEU 880 CO -0.15 0.79 0.09 0.25 -0.34 0.00 0.00 178.44 179.08 2ama h LEU 881 N 0.89 0.90 -1.54 2.25 5.85 -0.04 0.33 115.31 123.95 2ama h LEU 881 Ca 0.20 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2ama h LEU 881 Cb 0.24 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2ama h LEU 881 CO -0.01 0.93 0.04 0.40 -0.34 0.00 0.00 178.44 179.46 2ama h ILE 882 N 0.83 1.13 -0.22 4.05 1.08 -0.91 -2.83 117.51 120.64 2ama h ILE 882 Ca 0.17 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2ama h ILE 882 Cb 0.41 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2ama h ILE 882 CO 0.01 0.16 0.00 2.29 -0.69 0.00 0.00 178.15 179.92 2ama n LYS 883 N -4.39 2.69 -0.32 2.37 2.85 -0.88 -4.75 118.16 115.73 2ama n LYS 883 Ca 0.01 -2.34 0.16 0.00 -1.05 0.00 0.00 58.31 55.09 2ama n LYS 883 Cb 0.16 -1.47 0.40 0.00 -0.65 0.00 0.00 35.03 33.47 2ama n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2ama h SER 884 N 1.37 0.63 0.11 -5.58 4.64 -0.09 -2.03 113.55 112.60 2ama h SER 884 Ca 0.00 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2ama h SER 884 Cb 1.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2ama h SER 884 CO 0.08 0.21 -0.05 0.45 -0.87 0.00 0.00 176.83 176.65 2ama h HIS 885 N 0.61 -0.13 -1.00 4.77 3.86 -1.83 -0.99 115.15 120.44 2ama h HIS 885 Ca 0.56 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.88 2ama h HIS 885 Cb 1.09 0.04 -0.08 0.00 1.06 0.00 0.00 27.41 29.53 2ama h HIS 885 CO -0.00 0.01 0.63 1.98 0.86 0.00 0.00 177.93 181.40 2ama h MET 886 N -0.25 0.98 -0.72 2.45 1.85 -1.74 -2.64 114.93 114.87 2ama h MET 886 Ca -0.01 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.02 2ama h MET 886 Cb 0.20 -0.22 0.00 0.00 0.43 0.00 0.00 31.60 32.01 2ama h MET 886 CO 0.02 0.65 0.00 1.33 -0.40 0.00 0.00 176.91 178.52 2ama n VAL 887 N -4.61 0.95 -3.60 -5.77 0.24 -1.11 -4.98 118.33 99.46 2ama n VAL 887 Ca 0.18 -0.98 -0.21 0.00 -2.04 0.00 0.00 64.34 61.30 2ama n VAL 887 Cb 0.32 0.54 0.06 0.00 -1.47 0.00 0.00 33.84 33.29 2ama n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ama n SER 888 N 1.67 -2.44 -4.39 -1.34 7.64 -0.69 -4.64 113.62 109.42 2ama n SER 888 Ca 0.24 -0.70 -0.35 0.00 1.01 0.00 0.00 58.87 59.08 2ama n SER 888 Cb 0.63 -4.59 -0.13 0.00 -1.01 0.00 0.00 64.21 59.10 2ama n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2ama s VAL 889 N -3.47 3.62 -0.15 0.44 1.01 -0.46 -4.78 120.40 116.61 2ama s VAL 889 Ca 0.13 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 2ama s VAL 889 Cb -0.06 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2ama s VAL 889 CO 0.77 0.44 0.32 -1.81 0.00 0.00 0.00 175.10 174.82 2ama s ASP 890 N 1.06 6.48 -0.15 3.32 1.01 -1.26 -4.60 116.67 122.52 2ama s ASP 890 Ca 0.01 0.56 -0.02 0.00 0.71 0.00 0.00 52.55 53.81 2ama s ASP 890 Cb -0.15 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 2ama s ASP 890 CO 0.00 0.10 -0.08 -0.36 0.21 0.00 0.00 175.17 175.04 2ama s PHE 891 N 0.41 2.92 1.01 4.23 0.40 -1.26 -4.67 117.98 121.03 2ama s PHE 891 Ca 0.18 -0.51 -0.13 0.00 -0.60 0.00 0.00 56.93 55.87 2ama s PHE 891 Cb -0.13 -1.92 0.19 0.00 0.51 0.00 0.00 43.02 41.67 2ama s PHE 891 CO 0.05 -0.16 1.12 -1.25 0.70 0.00 0.00 175.22 175.67 2ama s PRO 892 N 0.46 0.35 0.04 0.24 0.04 -1.26 -4.73 135.00 130.14 2ama s PRO 892 Ca -0.06 0.32 -0.11 0.00 0.04 0.00 0.00 61.00 61.19 2ama s PRO 892 Cb -0.15 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2ama s PRO 892 CO 0.04 -2.74 1.18 1.05 0.04 0.00 0.00 177.00 176.57 2ama h GLU 893 N -1.89 -0.17 -0.74 4.56 9.09 -1.99 -1.35 114.58 122.08 2ama h GLU 893 Ca -0.52 0.01 0.06 0.00 0.05 0.00 0.00 59.36 58.96 2ama h GLU 893 Cb 1.33 0.04 -0.06 0.00 -1.65 0.00 0.00 28.75 28.40 2ama h GLU 893 CO 0.55 -0.11 0.43 0.00 0.05 0.00 0.00 179.01 179.93 2ama h MET 894 N -0.17 0.76 -0.02 1.06 -0.00 -1.98 -2.35 114.93 112.22 2ama h MET 894 Ca 0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2ama h MET 894 Cb 0.22 -0.17 -0.00 0.00 -0.00 0.00 0.00 31.60 31.65 2ama h MET 894 CO -0.17 0.50 0.02 0.52 -0.00 0.00 0.00 176.91 177.78 2ama h MET 895 N 0.78 0.03 -0.49 -0.10 2.07 -1.91 -1.55 114.93 113.76 2ama h MET 895 Ca 0.33 -0.00 0.03 0.00 -2.07 0.00 0.00 59.70 57.99 2ama h MET 895 Cb 0.20 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.89 2ama h MET 895 CO -0.19 0.03 0.27 0.00 1.07 0.00 0.00 176.91 178.10 2ama h ALA 896 N 1.00 0.63 -0.32 6.32 0.00 -0.91 0.43 119.26 126.41 2ama h ALA 896 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2ama h ALA 896 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ama h ALA 896 CO -0.00 -0.05 0.02 1.49 0.00 0.00 0.00 179.25 180.71 2ama h GLU 897 N 0.54 0.55 -0.56 0.00 4.81 -1.34 -2.03 114.58 116.56 2ama h GLU 897 Ca 0.21 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 2ama h GLU 897 Cb 0.07 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2ama h GLU 897 CO -0.12 0.67 -0.04 0.82 -0.73 0.00 0.00 179.01 179.61 2ama h ILE 898 N 0.37 1.27 0.00 2.32 2.04 -1.09 -1.37 117.51 121.04 2ama h ILE 898 Ca 0.09 -1.18 -0.07 0.00 1.00 0.00 0.00 64.86 64.71 2ama h ILE 898 Cb 0.40 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2ama h ILE 898 CO 0.01 0.42 -0.33 0.40 0.00 0.00 0.00 178.15 178.66 2ama h ILE 899 N 0.89 0.89 0.00 -0.67 2.04 -0.85 0.85 117.51 120.67 2ama h ILE 899 Ca 0.15 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.72 2ama h ILE 899 Cb 0.59 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2ama h ILE 899 CO 0.04 0.32 -1.21 -1.54 0.00 0.00 0.00 178.15 175.76 2ama n SER 900 N -3.65 0.59 -0.08 1.72 3.41 -0.77 -4.00 113.62 110.84 2ama n SER 900 Ca -0.01 0.09 -0.18 0.00 -0.26 0.00 0.00 58.87 58.52 2ama n SER 900 Cb 0.44 0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 65.20 2ama n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2ama n VAL 901 N -2.35 1.00 -0.08 -3.33 0.31 -0.53 -4.68 118.33 108.67 2ama n VAL 901 Ca -0.00 -0.20 -0.14 0.00 -0.01 0.00 0.00 64.34 63.99 2ama n VAL 901 Cb 0.52 -1.77 -0.11 0.00 -0.91 0.00 0.00 33.84 31.57 2ama n VAL 901 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2ama h GLN 902 N -0.63 0.00 -0.91 5.55 1.08 -1.04 -3.37 115.11 115.79 2ama h GLN 902 Ca -0.41 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 56.97 2ama h GLN 902 Cb 1.32 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.65 2ama h GLN 902 CO -0.25 0.84 0.49 0.28 -0.95 0.00 0.00 178.83 179.25 2ama h VAL 903 N -1.00 0.68 -0.48 -0.54 2.07 -1.50 -1.27 116.25 114.21 2ama h VAL 903 Ca -0.10 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2ama h VAL 903 Cb 0.95 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2ama h VAL 903 CO -0.06 0.12 0.27 -0.65 0.02 0.00 0.00 177.57 177.27 2ama h PRO 904 N 0.64 0.65 -0.30 1.57 0.11 -1.75 -0.68 132.00 132.24 2ama h PRO 904 Ca 0.52 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.56 2ama h PRO 904 Cb 0.80 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 2ama h PRO 904 CO -0.39 0.47 0.13 0.87 -0.21 0.00 0.00 178.00 178.86 2ama h LYS 905 N 0.66 0.42 0.01 1.05 1.57 -1.39 0.21 116.57 119.09 2ama h LYS 905 Ca 0.17 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 2ama h LYS 905 Cb -0.00 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.23 2ama h LYS 905 CO -0.03 0.34 -0.40 0.82 -0.57 0.00 0.00 179.45 179.61 2ama h ILE 906 N 0.42 1.51 0.00 1.86 2.04 -1.09 0.15 117.51 122.40 2ama h ILE 906 Ca 0.11 -2.03 -0.05 0.00 1.00 0.00 0.00 64.86 63.88 2ama h ILE 906 Cb 0.07 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 2ama h ILE 906 CO -0.01 0.57 -0.24 -0.07 0.00 0.00 0.00 178.15 178.40 2ama h LEU 907 N -0.36 0.00 -0.92 1.44 3.38 -0.87 -2.19 115.31 115.79 2ama h LEU 907 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2ama h LEU 907 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2ama h LEU 907 CO 0.08 0.24 0.00 -1.54 0.09 0.00 0.00 178.44 177.31 2ama n SER 908 N -3.71 1.40 0.00 -0.43 3.41 0.69 -4.92 113.62 110.05 2ama n SER 908 Ca -0.01 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 2ama n SER 908 Cb 0.35 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2ama n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ama n GLY 909 N 1.11 0.64 0.10 5.00 0.00 -0.82 -4.92 105.19 106.30 2ama n GLY 909 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 2ama n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ama h LYS 910 N 1.77 0.05 -5.17 1.61 1.57 -0.96 -3.43 116.57 112.02 2ama h LYS 910 Ca 0.00 -0.06 -0.65 0.00 -1.87 0.00 0.00 60.65 58.07 2ama h LYS 910 Cb 0.00 0.02 -0.33 0.00 0.08 0.00 0.00 32.23 32.00 2ama h LYS 910 CO 0.00 0.86 -0.87 0.08 -0.57 0.00 0.00 179.45 178.95 2ama s VAL 911 N -3.15 1.87 0.07 0.50 1.01 -0.67 -0.93 120.40 119.10 2ama s VAL 911 Ca -0.01 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.10 2ama s VAL 911 Cb 0.11 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2ama s VAL 911 CO 0.80 0.52 -0.11 -0.54 0.00 0.00 0.00 175.10 175.77 2ama s LYS 912 N 0.46 0.75 0.63 2.72 1.02 -0.72 -4.38 119.74 120.22 2ama s LYS 912 Ca -0.17 -0.97 -0.13 0.00 0.02 0.00 0.00 55.97 54.72 2ama s LYS 912 Cb -0.17 -0.59 -0.02 0.00 -0.52 0.00 0.00 37.83 36.53 2ama s LYS 912 CO 0.07 0.11 1.05 -1.25 -0.92 0.00 0.00 175.35 174.41 2ama s PRO 913 N -2.04 3.22 -0.31 -1.68 0.04 -1.26 -2.25 135.00 130.72 2ama s PRO 913 Ca -0.02 1.06 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 2ama s PRO 913 Cb -0.08 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2ama s PRO 913 CO 0.01 -0.88 0.21 0.42 0.04 0.00 0.00 177.00 176.81 2ama s ILE 914 N -2.75 5.24 0.13 0.56 1.01 0.15 -4.91 121.20 120.63 2ama s ILE 914 Ca 0.60 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.20 2ama s ILE 914 Cb -0.14 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2ama s ILE 914 CO 0.45 0.10 0.25 -0.31 0.00 0.00 0.00 174.94 175.43 2ama s TYR 915 N 1.73 3.46 -0.18 3.97 1.51 -1.26 -4.89 117.35 121.69 2ama s TYR 915 Ca 0.06 0.13 -0.25 0.00 -1.01 0.00 0.00 57.07 56.01 2ama s TYR 915 Cb -0.17 -1.67 -0.22 0.00 -0.11 0.00 0.00 41.96 39.79 2ama s TYR 915 CO 0.10 0.53 0.45 0.74 -1.11 0.00 0.00 175.55 176.27 2ama h PHE 916 N 2.41 0.00 -2.90 2.71 0.04 -1.98 -3.47 116.94 113.76 2ama h PHE 916 Ca -0.48 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 59.65 2ama h PHE 916 Cb 1.19 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.27 2ama h PHE 916 CO 0.56 1.26 -0.52 -1.01 -0.60 0.00 0.00 178.31 177.99 2ama s HIS 917 N -2.29 3.46 0.11 -0.55 3.76 -1.26 -5.06 115.29 113.46 2ama s HIS 917 Ca -0.24 0.32 -0.31 0.00 -0.15 0.00 0.00 55.06 54.67 2ama s HIS 917 Cb 0.02 -1.80 -0.09 0.00 1.11 0.00 0.00 32.58 31.82 2ama s HIS 917 CO 0.63 0.62 1.62 0.95 -0.85 0.00 0.00 174.74 177.70 2ama s THR 918 N -1.27 2.85 -2.38 1.30 -4.23 -1.26 -5.12 115.64 105.54 2ama s THR 918 Ca 0.25 0.47 0.29 0.00 -1.18 0.00 0.00 61.69 61.52 2ama s THR 918 Cb -0.12 -3.30 0.63 0.00 1.34 0.00 0.00 72.50 71.05 2ama s THR 918 CO 0.16 0.02 1.86 0.00 -0.54 0.00 0.00 174.62 176.12