#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkl n PRO 671 N 0.00 1.96 0.01 -1.09 -0.04 -1.26 -4.58 135.00 130.00 2pkl n PRO 671 Ca 0.00 -1.61 -0.10 0.00 -0.04 0.00 0.00 63.50 61.75 2pkl n PRO 671 Cb 0.00 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 31.62 2pkl n PRO 671 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2pkl h ILE 672 N 1.49 0.84 0.12 0.52 1.08 -2.06 -0.99 117.51 118.52 2pkl h ILE 672 Ca 0.28 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.77 2pkl h ILE 672 Cb 0.94 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 2pkl h ILE 672 CO 0.65 0.00 -0.23 0.15 -0.69 0.00 0.00 178.15 178.04 2pkl h PHE 673 N -0.05 -0.60 -0.08 1.37 3.57 -2.01 -1.41 116.94 117.73 2pkl h PHE 673 Ca 0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2pkl h PHE 673 Cb 0.13 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2pkl h PHE 673 CO -0.16 -0.33 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.47 2pkl h LEU 674 N -0.42 0.10 0.13 0.59 4.07 -1.91 -1.76 115.31 116.11 2pkl h LEU 674 Ca 0.03 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.99 2pkl h LEU 674 Cb 0.45 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 2pkl h LEU 674 CO -0.13 0.18 -0.22 0.78 -1.08 0.00 0.00 178.44 177.98 2pkl h ASN 675 N 0.11 -0.61 -0.50 -0.43 2.35 -0.16 -0.52 115.58 115.82 2pkl h ASN 675 Ca 0.03 0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 2pkl h ASN 675 Cb 0.18 0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 2pkl h ASN 675 CO 0.01 -0.31 0.30 0.58 -1.65 0.00 0.00 177.43 176.36 2pkl h VAL 676 N -0.42 1.05 -0.80 2.81 2.07 -0.67 -1.77 116.25 118.52 2pkl h VAL 676 Ca 0.02 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2pkl h VAL 676 Cb 0.43 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2pkl h VAL 676 CO -0.11 0.11 0.32 -0.07 0.02 0.00 0.00 177.57 177.84 2pkl h LEU 677 N 0.59 1.10 -0.83 2.57 3.38 -1.02 -0.76 115.31 120.35 2pkl h LEU 677 Ca 0.20 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2pkl h LEU 677 Cb 0.02 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2pkl h LEU 677 CO -0.09 0.97 -0.54 -0.33 0.09 0.00 0.00 178.44 178.54 2pkl h GLU 678 N 1.17 0.14 0.08 1.13 5.08 -0.88 -2.83 114.58 118.47 2pkl h GLU 678 Ca 0.27 -0.08 -0.27 0.00 -1.00 0.00 0.00 59.36 58.28 2pkl h GLU 678 Cb 0.21 0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.49 2pkl h GLU 678 CO -0.02 0.64 -1.10 0.00 -1.00 0.00 0.00 179.01 177.53 2pkl h ALA 679 N 1.34 0.03 -0.09 3.43 0.00 -0.96 -3.32 119.26 119.70 2pkl h ALA 679 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2pkl h ALA 679 Cb 0.98 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2pkl h ALA 679 CO 0.08 0.63 0.00 0.44 0.00 0.00 0.00 179.25 180.39 2pkl n ILE 680 N -3.88 0.11 -1.82 0.00 -5.35 -0.32 -4.91 119.36 103.18 2pkl n ILE 680 Ca -0.13 -0.27 -0.42 0.00 -0.27 0.00 0.00 62.75 61.66 2pkl n ILE 680 Cb 0.91 0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 39.11 2pkl n ILE 680 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2pkl s GLU 681 N -1.89 4.17 0.21 6.28 2.56 -1.07 -4.79 118.70 124.17 2pkl s GLU 681 Ca 0.35 2.45 -0.32 0.00 0.00 0.00 0.00 54.97 57.45 2pkl s GLU 681 Cb 0.19 -3.67 -0.13 0.00 2.00 0.00 0.00 34.13 32.51 2pkl s GLU 681 CO 0.29 -0.80 1.51 -2.30 -0.56 0.00 0.00 175.26 173.40 2pkl n PRO 682 N 5.91 2.18 0.00 4.30 -0.02 -1.26 -5.01 135.00 141.10 2pkl n PRO 682 Ca 0.17 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2pkl n PRO 682 Cb 0.40 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2pkl n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pkl n GLY 683 N 2.79 -1.66 3.76 -1.23 0.00 -1.26 -4.99 105.19 102.60 2pkl n GLY 683 Ca 0.14 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 2pkl n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pkl s VAL 684 N -0.93 2.53 -0.06 1.61 1.01 -1.26 -5.04 120.40 118.25 2pkl s VAL 684 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2pkl s VAL 684 Cb 0.00 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.15 2pkl s VAL 684 CO 0.00 0.04 -0.03 -0.69 0.00 0.00 0.00 175.10 174.42 2pkl s VAL 685 N -1.31 0.56 0.09 2.92 1.01 -1.26 -5.14 120.40 117.27 2pkl s VAL 685 Ca 0.61 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.38 2pkl s VAL 685 Cb -0.37 -0.63 -0.06 0.00 0.00 0.00 0.00 36.38 35.31 2pkl s VAL 685 CO 0.47 0.26 0.49 0.00 0.00 0.00 0.00 175.10 176.33 2pkl n ALA 687 N 1.22 2.48 -1.41 0.00 0.00 -1.26 -4.86 120.51 116.68 2pkl n ALA 687 Ca -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 2pkl n ALA 687 Cb 0.52 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 2pkl n ALA 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkl n GLY 688 N 1.35 0.55 3.73 0.00 0.00 -1.26 -4.34 105.19 105.22 2pkl n GLY 688 Ca 0.05 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 2pkl n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pkl s HIS 689 N -2.17 3.56 -1.01 1.61 5.04 -1.26 -4.96 115.29 116.10 2pkl s HIS 689 Ca 0.00 1.52 -0.18 0.00 -1.54 0.00 0.00 55.06 54.87 2pkl s HIS 689 Cb 0.00 -3.30 0.13 0.00 0.04 0.00 0.00 32.58 29.46 2pkl s HIS 689 CO 0.00 -0.72 1.23 0.34 -2.34 0.00 0.00 174.74 173.25 2pkl s ASP 690 N 0.37 6.72 0.00 9.88 2.15 -1.26 -4.84 116.67 129.69 2pkl s ASP 690 Ca 0.52 -2.22 0.00 0.00 0.43 0.00 0.00 52.55 51.28 2pkl s ASP 690 Cb -0.28 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2pkl s ASP 690 CO 0.32 -1.03 0.04 0.59 -0.17 0.00 0.00 175.17 174.92 2pkl n ASN 691 N 6.56 0.10 -0.04 -0.34 3.02 -1.26 -0.67 115.26 122.62 2pkl n ASN 691 Ca 0.28 -0.12 0.02 0.00 -0.03 0.00 0.00 54.58 54.72 2pkl n ASN 691 Cb 0.48 -0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.47 2pkl n ASN 691 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2pkl n ASN 692 N 0.61 0.51 -4.74 6.41 4.05 -1.26 -4.95 115.26 115.88 2pkl n ASN 692 Ca 0.00 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.63 2pkl n ASN 692 Cb 0.02 1.48 -0.05 0.00 1.23 0.00 0.00 39.78 42.46 2pkl n ASN 692 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2pkl s GLN 693 N -2.96 4.62 0.31 1.20 -1.52 0.15 -5.01 119.66 116.45 2pkl s GLN 693 Ca -0.08 1.27 -0.29 0.00 -1.95 0.00 0.00 55.36 54.31 2pkl s GLN 693 Cb 0.09 -3.35 -0.12 0.00 -0.22 0.00 0.00 33.01 29.41 2pkl s GLN 693 CO 0.79 0.31 1.38 -2.30 -0.25 0.00 0.00 175.29 175.22 2pkl n PRO 694 N 2.54 2.22 -1.63 2.91 -0.02 -1.26 -4.77 135.00 134.99 2pkl n PRO 694 Ca -0.01 0.78 -0.15 0.00 -2.02 0.00 0.00 63.50 62.10 2pkl n PRO 694 Cb 0.49 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.47 2pkl n PRO 694 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pkl s ASP 695 N -0.01 3.89 0.42 2.55 1.01 -1.26 -4.90 116.67 118.37 2pkl s ASP 695 Ca 0.60 -0.29 0.08 0.00 0.71 0.00 0.00 52.55 53.65 2pkl s ASP 695 Cb -0.58 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 40.78 2pkl s ASP 695 CO 0.57 -4.00 0.46 -0.94 0.21 0.00 0.00 175.17 171.47 2pkl s SER 696 N 10.00 5.29 0.05 0.27 1.04 -1.26 -4.92 113.70 124.17 2pkl s SER 696 Ca 0.88 -0.62 -0.32 0.00 0.48 0.00 0.00 55.95 56.36 2pkl s SER 696 Cb -0.10 -0.59 -0.18 0.00 0.10 0.00 0.00 66.02 65.24 2pkl s SER 696 CO 0.10 -0.70 1.47 0.15 0.98 0.00 0.00 173.24 175.24 2pkl h PHE 697 N 0.87 -0.90 -0.84 5.02 3.57 -1.91 -1.92 116.94 120.83 2pkl h PHE 697 Ca -0.41 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.19 2pkl h PHE 697 Cb 1.27 0.30 -0.08 0.00 2.79 0.00 0.00 35.95 40.23 2pkl h PHE 697 CO 0.47 -0.54 0.45 0.00 -2.23 0.00 0.00 178.31 176.47 2pkl h ALA 698 N -0.84 1.22 -0.30 2.41 0.00 -1.86 -1.56 119.26 118.33 2pkl h ALA 698 Ca -0.10 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2pkl h ALA 698 Cb 0.76 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pkl h ALA 698 CO 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 179.25 179.07 2pkl h ALA 699 N 1.51 0.45 0.28 0.00 0.00 -1.88 -1.66 119.26 117.96 2pkl h ALA 699 Ca 0.43 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pkl h ALA 699 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pkl h ALA 699 CO -0.30 0.51 -0.13 -0.07 0.00 0.00 0.00 179.25 179.25 2pkl h LEU 700 N 0.52 -0.31 -0.76 0.00 3.38 -0.95 -2.44 115.31 114.75 2pkl h LEU 700 Ca 0.04 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2pkl h LEU 700 Cb 0.93 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2pkl h LEU 700 CO 0.08 -0.02 0.18 -0.07 0.09 0.00 0.00 178.44 178.70 2pkl h LEU 701 N -0.62 1.05 -1.44 1.67 -0.00 -1.38 -1.69 115.31 112.90 2pkl h LEU 701 Ca -0.04 -0.22 0.01 0.00 -0.00 0.00 0.00 57.88 57.63 2pkl h LEU 701 Cb 0.44 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 2pkl h LEU 701 CO 0.06 1.00 0.38 0.28 -0.00 0.00 0.00 178.44 180.16 2pkl h SER 702 N 1.06 0.66 0.28 -0.43 0.02 -1.32 0.57 113.55 114.38 2pkl h SER 702 Ca 0.22 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.99 2pkl h SER 702 Cb 0.36 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2pkl h SER 702 CO 0.00 0.48 -0.66 0.28 -1.14 0.00 0.00 176.83 175.79 2pkl h SER 703 N 0.78 0.41 0.16 3.07 0.02 -0.91 -2.05 113.55 115.03 2pkl h SER 703 Ca 0.21 -0.25 -0.14 0.00 -0.84 0.00 0.00 61.79 60.78 2pkl h SER 703 Cb -0.09 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2pkl h SER 703 CO -0.05 0.95 -0.50 -0.07 -1.14 0.00 0.00 176.83 176.03 2pkl h LEU 704 N 0.25 0.42 -0.68 5.07 3.38 -0.50 0.17 115.31 123.41 2pkl h LEU 704 Ca -0.01 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 2pkl h LEU 704 Cb 1.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2pkl h LEU 704 CO 0.11 0.85 -0.17 0.78 0.09 0.00 0.00 178.44 180.09 2pkl h ASN 705 N 0.31 0.84 -0.14 -0.43 -0.26 -0.76 0.20 115.58 115.34 2pkl h ASN 705 Ca 0.01 -0.29 -0.02 0.00 -0.56 0.00 0.00 56.30 55.45 2pkl h ASN 705 Cb 0.98 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.01 2pkl h ASN 705 CO 0.08 1.01 0.01 -0.08 -1.06 0.00 0.00 177.43 177.39 2pkl h GLU 706 N 0.74 0.24 -0.43 0.81 4.57 -1.11 0.36 114.58 119.75 2pkl h GLU 706 Ca 0.11 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.30 2pkl h GLU 706 Cb 0.69 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.19 2pkl h GLU 706 CO 0.05 0.46 0.03 1.25 -1.18 0.00 0.00 179.01 179.62 2pkl h LEU 707 N -0.01 -0.12 -0.43 1.64 5.85 -0.70 0.14 115.31 121.68 2pkl h LEU 707 Ca 0.04 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2pkl h LEU 707 Cb 0.35 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2pkl h LEU 707 CO 0.01 -0.03 0.25 1.23 -0.34 0.00 0.00 178.44 179.56 2pkl h GLY 708 N 0.14 0.63 0.98 3.75 0.00 -0.36 0.60 103.07 108.81 2pkl h GLY 708 Ca 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2pkl h GLY 708 CO -0.33 0.26 -0.05 -2.09 0.00 0.00 0.00 176.54 174.32 2pkl h GLU 709 N 0.57 -0.14 0.12 4.80 4.57 -0.15 0.13 114.58 124.47 2pkl h GLU 709 Ca 0.15 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 2pkl h GLU 709 Cb 0.02 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2pkl h GLU 709 CO -0.03 -0.09 -0.06 0.00 -1.18 0.00 0.00 179.01 177.65 2pkl h ARG 710 N -0.14 -0.16 0.00 1.92 3.08 -0.51 -2.24 114.38 116.33 2pkl h ARG 710 Ca -0.01 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2pkl h ARG 710 Cb 0.12 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 2pkl h ARG 710 CO 0.01 -0.08 -0.04 0.37 -1.07 0.00 0.00 179.97 179.17 2pkl h GLN 711 N -0.20 0.00 -0.13 0.04 4.15 0.31 -1.21 115.11 118.06 2pkl h GLN 711 Ca -0.02 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 2pkl h GLN 711 Cb 0.16 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2pkl h GLN 711 CO 0.03 0.04 -0.39 1.25 -1.93 0.00 0.00 178.83 177.82 2pkl h LEU 712 N 0.00 0.31 -0.40 -2.39 5.85 -0.12 -2.14 115.31 116.42 2pkl h LEU 712 Ca -0.00 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2pkl h LEU 712 Cb 0.19 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2pkl h LEU 712 CO 0.00 0.68 0.14 0.58 -0.34 0.00 0.00 178.44 179.50 2pkl h VAL 713 N 0.25 1.21 -0.64 1.05 2.07 -1.09 -1.95 116.25 117.15 2pkl h VAL 713 Ca 0.02 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 2pkl h VAL 713 Cb 0.81 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2pkl h VAL 713 CO 0.06 0.23 0.13 0.45 0.02 0.00 0.00 177.57 178.46 2pkl h HIS 714 N 0.49 1.10 -0.85 1.57 3.86 -1.52 -2.67 115.15 117.13 2pkl h HIS 714 Ca 0.13 -0.14 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 2pkl h HIS 714 Cb 0.22 -0.30 -0.07 0.00 1.06 0.00 0.00 27.41 28.32 2pkl h HIS 714 CO 0.00 0.92 0.51 0.28 0.86 0.00 0.00 177.93 180.50 2pkl h VAL 715 N 0.95 0.98 -0.63 2.45 2.07 -1.08 0.14 116.25 121.13 2pkl h VAL 715 Ca 0.20 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2pkl h VAL 715 Cb 0.40 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2pkl h VAL 715 CO 0.01 0.16 0.30 0.58 0.02 0.00 0.00 177.57 178.64 2pkl h VAL 716 N 0.89 1.22 -0.33 2.57 2.07 -1.03 -1.28 116.25 120.36 2pkl h VAL 716 Ca 0.39 -0.62 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 2pkl h VAL 716 Cb 0.27 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2pkl h VAL 716 CO -0.21 0.25 -0.42 0.11 0.02 0.00 0.00 177.57 177.33 2pkl h LYS 717 N 0.87 0.82 0.61 1.57 1.57 -1.09 -2.60 116.57 118.32 2pkl h LYS 717 Ca 0.22 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 2pkl h LYS 717 Cb 0.12 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 2pkl h LYS 717 CO -0.03 1.08 -0.37 2.35 -0.57 0.00 0.00 179.45 181.91 2pkl h TRP 718 N 0.66 -0.99 -0.12 -1.35 7.01 -0.56 -2.90 115.95 117.71 2pkl h TRP 718 Ca 0.05 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.08 2pkl h TRP 718 Cb 0.99 0.35 -0.05 0.00 -2.10 0.00 0.00 29.16 28.35 2pkl h TRP 718 CO 0.06 -0.57 -0.18 0.00 -2.79 0.00 0.00 178.44 174.96 2pkl h ALA 719 N -0.61 -0.13 0.00 2.65 0.00 -1.26 -0.35 119.26 119.56 2pkl h ALA 719 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pkl h ALA 719 Cb 0.75 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2pkl h ALA 719 CO 0.08 -0.64 0.00 1.63 0.00 0.00 0.00 179.25 180.32 2pkl n LYS 720 N -5.32 0.01 0.00 0.00 5.02 -0.98 -0.27 118.16 116.61 2pkl n LYS 720 Ca -0.03 0.50 0.09 0.00 -2.02 0.00 0.00 58.31 56.86 2pkl n LYS 720 Cb 0.24 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 2pkl n LYS 720 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pkl n ALA 721 N -1.51 4.12 -1.77 7.82 0.00 -0.18 -4.64 120.51 124.35 2pkl n ALA 721 Ca -0.00 -0.57 -0.39 0.00 0.00 0.00 0.00 53.44 52.49 2pkl n ALA 721 Cb 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 2pkl n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pkl s LEU 722 N -2.70 4.23 0.28 0.00 1.43 0.63 -4.93 118.68 117.63 2pkl s LEU 722 Ca 0.11 2.43 -0.30 0.00 -1.03 0.00 0.00 54.13 55.34 2pkl s LEU 722 Cb 0.15 -3.95 -0.13 0.00 0.03 0.00 0.00 46.19 42.29 2pkl s LEU 722 CO 0.69 -0.68 1.29 -2.65 0.23 0.00 0.00 176.35 175.22 2pkl n PRO 723 N 0.18 1.92 -0.24 1.29 -0.02 -1.26 -2.05 135.00 134.82 2pkl n PRO 723 Ca 0.04 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2pkl n PRO 723 Cb 0.45 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2pkl n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pkl n GLY 724 N 1.46 0.54 0.22 -1.23 0.00 -1.26 -4.84 105.19 100.08 2pkl n GLY 724 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 2pkl n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pkl h PHE 725 N 0.00 0.70 -0.44 1.61 3.57 -1.69 -2.83 116.94 117.86 2pkl h PHE 725 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2pkl h PHE 725 Cb 0.00 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2pkl h PHE 725 CO 0.00 0.48 0.30 0.00 -2.23 0.00 0.00 178.31 176.86 2pkl h ARG 726 N 0.71 0.34 0.00 1.11 3.08 -1.82 -2.07 114.38 115.73 2pkl h ARG 726 Ca 0.19 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2pkl h ARG 726 Cb -0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 2pkl h ARG 726 CO -0.04 0.22 -0.00 -0.91 -1.07 0.00 0.00 179.97 178.18 2pkl h ASN 727 N 0.35 0.00 -4.10 7.04 4.21 -1.90 -3.43 115.58 117.75 2pkl h ASN 727 Ca 0.19 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 57.17 2pkl h ASN 727 Cb 0.33 0.00 0.19 0.00 -1.12 0.00 0.00 38.32 37.72 2pkl h ASN 727 CO -0.05 0.00 0.21 0.18 -1.29 0.00 0.00 177.43 176.48 2pkl n LEU 728 N -4.43 3.68 -4.73 1.61 4.77 -0.78 -4.91 117.00 112.22 2pkl n LEU 728 Ca -0.03 0.54 -0.36 0.00 -0.03 0.00 0.00 56.01 56.12 2pkl n LEU 728 Cb 0.09 -1.47 0.08 0.00 -2.33 0.00 0.00 43.42 39.79 2pkl n LEU 728 CO 0.33 -2.00 0.88 -2.28 -1.33 0.00 0.00 177.39 172.99 2pkl s HIS 729 N -2.23 2.05 0.21 -1.77 5.65 -1.26 -4.78 115.29 113.15 2pkl s HIS 729 Ca 0.71 1.51 -0.09 0.00 0.25 0.00 0.00 55.06 57.44 2pkl s HIS 729 Cb -0.28 -3.65 0.24 0.00 -1.18 0.00 0.00 32.58 27.72 2pkl s HIS 729 CO 0.54 -2.88 1.80 0.28 -0.65 0.00 0.00 174.74 173.83 2pkl h VAL 730 N 0.33 0.95 -0.29 0.89 2.07 -1.91 -0.04 116.25 118.25 2pkl h VAL 730 Ca -0.50 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 2pkl h VAL 730 Cb 1.33 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2pkl h VAL 730 CO 0.52 0.12 -0.10 0.44 0.02 0.00 0.00 177.57 178.57 2pkl h ASP 731 N 0.66 0.59 -0.23 0.57 3.32 -2.00 -2.74 116.42 116.60 2pkl h ASP 731 Ca 0.30 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2pkl h ASP 731 Cb 0.20 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2pkl h ASP 731 CO -0.19 0.84 0.06 0.44 -1.72 0.00 0.00 179.24 178.67 2pkl h ASP 732 N 0.34 0.41 -0.68 6.45 3.32 -1.85 -0.97 116.42 123.44 2pkl h ASP 732 Ca 0.07 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2pkl h ASP 732 Cb 0.59 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 2pkl h ASP 732 CO 0.03 0.43 0.45 1.56 -1.72 0.00 0.00 179.24 180.00 2pkl h GLN 733 N 0.44 0.90 -0.16 3.56 4.20 -0.75 -0.83 115.11 122.47 2pkl h GLN 733 Ca 0.10 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 2pkl h GLN 733 Cb 0.20 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2pkl h GLN 733 CO -0.00 0.60 -0.50 1.98 -0.67 0.00 0.00 178.83 180.23 2pkl h MET 734 N 0.93 0.44 0.18 1.46 4.05 -1.06 -3.18 114.93 117.75 2pkl h MET 734 Ca 0.25 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2pkl h MET 734 Cb -0.11 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2pkl h MET 734 CO -0.05 0.84 -0.09 0.00 0.23 0.00 0.00 176.91 177.84 2pkl h ALA 735 N 1.11 -0.25 -0.57 0.39 0.00 -0.82 -2.19 119.26 116.94 2pkl h ALA 735 Ca 0.01 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.84 2pkl h ALA 735 Cb 1.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2pkl h ALA 735 CO 0.09 -0.41 0.39 -0.39 0.00 0.00 0.00 179.25 178.93 2pkl h VAL 736 N -0.71 0.83 -0.07 0.00 -1.51 -1.24 0.11 116.25 113.67 2pkl h VAL 736 Ca -0.03 -0.09 -0.09 0.00 -1.23 0.00 0.00 66.70 65.27 2pkl h VAL 736 Cb 0.50 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 2pkl h VAL 736 CO 0.04 0.05 -0.30 0.40 -1.23 0.00 0.00 177.57 176.53 2pkl h ILE 737 N 0.25 1.43 0.00 7.19 2.04 -1.56 -1.92 117.51 124.94 2pkl h ILE 737 Ca 0.27 -1.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 2pkl h ILE 737 Cb 0.71 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2pkl h ILE 737 CO -0.06 0.49 -0.11 1.56 0.00 0.00 0.00 178.15 180.03 2pkl h GLN 738 N -0.17 0.00 0.10 2.37 4.20 -0.61 -1.92 115.11 119.09 2pkl h GLN 738 Ca -0.02 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.34 2pkl h GLN 738 Cb 0.95 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 2pkl h GLN 738 CO 0.06 0.11 -1.91 0.66 -0.67 0.00 0.00 178.83 177.09 2pkl n TYR 739 N -3.40 1.19 -0.12 2.96 4.01 0.28 -4.47 117.16 117.61 2pkl n TYR 739 Ca -0.01 0.28 0.10 0.00 -0.16 0.00 0.00 57.90 58.11 2pkl n TYR 739 Cb 0.29 -1.15 0.29 0.00 -0.31 0.00 0.00 39.34 38.46 2pkl n TYR 739 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2pkl n SER 740 N -3.63 3.63 -0.26 7.72 3.41 -0.72 -4.49 113.62 119.28 2pkl n SER 740 Ca -0.33 -2.08 -0.07 0.00 -0.26 0.00 0.00 58.87 56.14 2pkl n SER 740 Cb 0.99 -0.46 0.05 0.00 -0.26 0.00 0.00 64.21 64.53 2pkl n SER 740 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2pkl h TRP 741 N 3.76 1.16 0.28 7.33 5.08 -1.57 -2.35 115.95 129.65 2pkl h TRP 741 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 58.89 59.85 2pkl h TRP 741 Cb 0.95 -0.33 -0.03 0.00 -3.00 0.00 0.00 29.16 26.75 2pkl h TRP 741 CO 0.48 0.93 -0.35 1.98 -1.28 0.00 0.00 178.44 180.20 2pkl h MET 742 N 1.06 -0.66 -0.41 0.12 4.05 -1.87 -0.50 114.93 116.72 2pkl h MET 742 Ca 0.23 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.70 2pkl h MET 742 Cb 0.33 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 2pkl h MET 742 CO -0.00 -0.44 0.27 0.78 0.23 0.00 0.00 176.91 177.75 2pkl h GLY 743 N -0.68 0.56 0.59 1.39 0.00 -1.86 -1.09 103.07 101.98 2pkl h GLY 743 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2pkl h GLY 743 CO -0.10 0.20 -0.12 1.41 0.00 0.00 0.00 176.54 177.93 2pkl h LEU 744 N 0.54 -0.28 -1.07 3.11 3.38 -0.90 -1.25 115.31 118.84 2pkl h LEU 744 Ca 0.15 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2pkl h LEU 744 Cb -0.03 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2pkl h LEU 744 CO -0.03 0.13 0.63 0.24 0.09 0.00 0.00 178.44 179.50 2pkl h MET 745 N -0.75 1.20 -0.34 1.13 2.86 -0.94 -1.40 114.93 116.70 2pkl h MET 745 Ca -0.03 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 2pkl h MET 745 Cb 0.50 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2pkl h MET 745 CO 0.06 0.79 0.03 0.28 1.06 0.00 0.00 176.91 179.13 2pkl h VAL 746 N 1.24 1.24 0.00 -2.22 2.07 -1.22 0.11 116.25 117.48 2pkl h VAL 746 Ca 0.37 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2pkl h VAL 746 Cb -0.06 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2pkl h VAL 746 CO -0.10 0.29 -0.00 0.15 0.02 0.00 0.00 177.57 177.93 2pkl h PHE 747 N 0.39 -0.01 -0.43 1.57 3.57 -0.80 -1.19 116.94 120.05 2pkl h PHE 747 Ca 0.10 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2pkl h PHE 747 Cb 0.39 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2pkl h PHE 747 CO 0.03 -0.01 0.24 0.00 -2.23 0.00 0.00 178.31 176.35 2pkl h ALA 748 N 0.99 0.54 0.00 2.41 0.00 -1.24 -2.32 119.26 119.66 2pkl h ALA 748 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2pkl h ALA 748 Cb 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2pkl h ALA 748 CO -0.00 0.05 -0.40 1.98 0.00 0.00 0.00 179.25 180.88 2pkl h MET 749 N 0.56 -0.54 -0.81 0.00 1.85 -0.44 0.52 114.93 116.07 2pkl h MET 749 Ca 0.15 0.04 0.22 0.00 -0.61 0.00 0.00 59.70 59.50 2pkl h MET 749 Cb 0.03 0.12 -0.04 0.00 0.43 0.00 0.00 31.60 32.14 2pkl h MET 749 CO -0.03 -0.36 0.57 0.78 -0.40 0.00 0.00 176.91 177.47 2pkl h GLY 750 N -0.56 0.25 0.75 1.39 0.00 -1.00 0.81 103.07 104.70 2pkl h GLY 750 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 2pkl h GLY 750 CO -0.31 0.00 -0.11 -0.25 0.00 0.00 0.00 176.54 175.88 2pkl h TRP 751 N 0.12 0.41 -0.47 5.60 2.91 -0.39 -2.10 115.95 122.03 2pkl h TRP 751 Ca 0.40 -0.11 0.02 0.00 1.13 0.00 0.00 58.89 60.33 2pkl h TRP 751 Cb 1.38 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.92 2pkl h TRP 751 CO -0.00 0.70 0.31 0.00 -1.03 0.00 0.00 178.44 178.42 2pkl h ARG 752 N -0.00 0.54 -0.24 2.65 3.08 0.40 -0.44 114.38 120.37 2pkl h ARG 752 Ca 0.03 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2pkl h ARG 752 Cb 0.61 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2pkl h ARG 752 CO 0.03 0.36 -0.56 0.77 -1.07 0.00 0.00 179.97 179.50 2pkl h SER 753 N 0.56 0.83 0.51 7.04 0.02 -1.09 -1.32 113.55 120.10 2pkl h SER 753 Ca 0.18 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 2pkl h SER 753 Cb 0.05 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.35 2pkl h SER 753 CO -0.04 1.22 -0.25 0.15 -1.14 0.00 0.00 176.83 176.76 2pkl h PHE 754 N 0.57 -0.64 -0.04 3.45 3.57 -0.65 0.17 116.94 123.36 2pkl h PHE 754 Ca 0.01 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2pkl h PHE 754 Cb 1.14 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 40.09 2pkl h PHE 754 CO 0.06 -0.40 0.07 1.79 -2.23 0.00 0.00 178.31 177.60 2pkl h THR 755 N -1.08 0.35 0.00 4.41 1.35 -1.20 -3.15 112.91 113.58 2pkl h THR 755 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2pkl h THR 755 Cb 0.53 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2pkl h THR 755 CO 0.12 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.98 2pkl n ASN 756 N -3.58 0.00 0.00 5.36 5.03 -0.50 -4.73 115.26 116.84 2pkl n ASN 756 Ca -0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.43 2pkl n ASN 756 Cb 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 2pkl n ASN 756 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2pkl n VAL 757 N 0.00 0.00 -1.46 2.41 0.24 -1.09 -4.65 118.33 113.78 2pkl n VAL 757 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 2pkl n VAL 757 Cb 0.00 -0.54 -0.07 0.00 -1.47 0.00 0.00 33.84 31.76 2pkl n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2pkl n ASN 758 N -0.34 -5.32 0.00 -1.34 5.15 -0.44 -2.48 115.26 110.48 2pkl n ASN 758 Ca 0.00 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.37 2pkl n ASN 758 Cb 0.00 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.04 2pkl n ASN 758 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2pkl n SER 759 N -1.00 0.00 0.05 1.20 7.64 0.48 -4.86 113.62 117.13 2pkl n SER 759 Ca -0.16 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.74 2pkl n SER 759 Cb 0.59 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.16 2pkl n SER 759 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2pkl h ARG 760 N 2.61 0.41 -4.96 1.43 3.08 -1.76 -3.45 114.38 111.74 2pkl h ARG 760 Ca 0.00 -0.07 -0.38 0.00 0.07 0.00 0.00 59.98 59.60 2pkl h ARG 760 Cb 0.00 -0.07 -0.14 0.00 0.08 0.00 0.00 29.97 29.84 2pkl h ARG 760 CO 0.00 0.43 -0.61 -1.64 -1.07 0.00 0.00 179.97 177.08 2pkl s MET 761 N -5.00 1.47 -0.53 0.04 -1.94 -1.26 -4.94 119.30 107.15 2pkl s MET 761 Ca -0.07 -1.80 -0.16 0.00 -1.71 0.00 0.00 55.69 51.95 2pkl s MET 761 Cb 0.16 -0.39 0.11 0.00 2.01 0.00 0.00 34.83 36.72 2pkl s MET 761 CO 0.74 -0.28 0.49 -0.51 -0.01 0.00 0.00 175.02 175.45 2pkl s LEU 762 N -3.35 6.00 -1.24 -0.03 1.43 -1.09 -4.82 118.68 115.58 2pkl s LEU 762 Ca 0.37 -1.65 -0.20 0.00 -1.03 0.00 0.00 54.13 51.62 2pkl s LEU 762 Cb 0.08 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2pkl s LEU 762 CO 0.14 -0.82 1.84 0.00 0.23 0.00 0.00 176.35 177.74 2pkl n TYR 763 N 5.31 3.73 -0.04 0.29 4.19 -1.26 -2.03 117.16 127.35 2pkl n TYR 763 Ca -0.13 -2.22 -0.12 0.00 3.31 0.00 0.00 57.90 58.74 2pkl n TYR 763 Cb 0.41 -2.61 -0.07 0.00 0.49 0.00 0.00 39.34 37.56 2pkl n TYR 763 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 2pkl h PHE 764 N 8.47 0.22 -2.84 2.98 0.04 -1.88 -3.41 116.94 120.52 2pkl h PHE 764 Ca 0.35 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 61.02 2pkl h PHE 764 Cb 0.89 -0.06 -0.15 0.00 2.20 0.00 0.00 35.95 38.83 2pkl h PHE 764 CO 1.33 0.50 0.08 0.00 -0.60 0.00 0.00 178.31 179.62 2pkl s ALA 765 N -4.76 -1.38 0.41 2.45 0.00 -1.11 -4.99 121.76 112.39 2pkl s ALA 765 Ca -0.14 0.55 0.17 0.00 0.00 0.00 0.00 51.96 52.54 2pkl s ALA 765 Cb 0.05 0.51 1.08 0.00 0.00 0.00 0.00 23.12 24.76 2pkl s ALA 765 CO 0.71 -0.58 1.84 -1.35 0.00 0.00 0.00 175.76 176.38 2pkl h PRO 766 N 2.56 0.41 -0.52 0.00 0.11 -1.91 0.14 132.00 132.78 2pkl h PRO 766 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2pkl h PRO 766 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pkl h PRO 766 CO 0.41 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 2pkl n ASP 767 N -4.54 2.87 -3.02 -2.05 5.75 -1.26 -4.58 116.55 109.72 2pkl n ASP 767 Ca 0.21 -1.99 -0.15 0.00 -0.01 0.00 0.00 54.79 52.85 2pkl n ASP 767 Cb 0.73 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 2pkl n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2pkl n LEU 768 N 1.07 -2.01 -4.53 -2.12 7.94 0.48 -4.53 117.00 113.31 2pkl n LEU 768 Ca 0.18 -3.65 -0.36 0.00 -1.11 0.00 0.00 56.01 51.08 2pkl n LEU 768 Cb 0.46 0.68 -0.11 0.00 0.53 0.00 0.00 43.42 44.98 2pkl n LEU 768 CO 0.13 1.93 -0.27 -0.69 -1.11 0.00 0.00 177.39 177.38 2pkl s VAL 769 N 0.37 4.52 0.07 1.96 1.01 -1.24 -2.73 120.40 124.35 2pkl s VAL 769 Ca 0.32 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 2pkl s VAL 769 Cb 0.06 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 2pkl s VAL 769 CO -0.13 0.39 0.67 -0.36 0.00 0.00 0.00 175.10 175.66 2pkl s PHE 770 N 1.07 3.78 0.42 5.22 0.40 -0.86 -4.96 117.98 123.05 2pkl s PHE 770 Ca 0.04 1.38 0.01 0.00 -0.60 0.00 0.00 56.93 57.77 2pkl s PHE 770 Cb -0.14 -2.66 0.01 0.00 0.51 0.00 0.00 43.02 40.74 2pkl s PHE 770 CO 0.03 0.44 0.12 0.27 0.70 0.00 0.00 175.22 176.78 2pkl n ASN 771 N 2.19 2.86 -0.23 1.36 0.23 -1.26 -2.66 115.26 117.75 2pkl n ASN 771 Ca -0.07 -2.69 0.02 0.00 -0.53 0.00 0.00 54.58 51.31 2pkl n ASN 771 Cb 0.50 0.17 0.14 0.00 -2.08 0.00 0.00 39.78 38.51 2pkl n ASN 771 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2pkl h GLU 772 N 0.00 0.49 0.43 -3.83 4.39 -1.98 -1.57 114.58 112.51 2pkl h GLU 772 Ca -0.32 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 2pkl h GLU 772 Cb 1.02 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2pkl h GLU 772 CO 0.52 0.33 -0.24 -0.92 -1.16 0.00 0.00 179.01 177.54 2pkl h TYR 773 N 0.51 -0.62 -0.24 4.33 3.20 -2.00 -2.48 116.97 119.67 2pkl h TYR 773 Ca 0.35 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.23 2pkl h TYR 773 Cb 0.42 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2pkl h TYR 773 CO -0.14 -0.37 0.16 0.00 -1.64 0.00 0.00 178.16 176.17 2pkl h ARG 774 N -0.62 0.22 -0.52 1.82 3.08 -1.88 -0.66 114.38 115.82 2pkl h ARG 774 Ca -0.05 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2pkl h ARG 774 Cb 0.50 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2pkl h ARG 774 CO 0.07 0.15 0.16 0.52 -1.07 0.00 0.00 179.97 179.79 2pkl h MET 775 N 0.23 0.77 -0.00 0.04 2.86 -0.91 -0.91 114.93 116.99 2pkl h MET 775 Ca 0.10 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 2pkl h MET 775 Cb 0.11 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.65 2pkl h MET 775 CO -0.02 0.67 -0.33 1.25 1.06 0.00 0.00 176.91 179.54 2pkl h HIS 776 N 0.75 0.34 0.00 -0.22 -0.00 -0.74 -2.99 115.15 112.29 2pkl h HIS 776 Ca 0.17 -0.18 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 2pkl h HIS 776 Cb 0.23 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2pkl h HIS 776 CO 0.01 0.98 -0.09 0.87 -0.00 0.00 0.00 177.93 179.71 2pkl h LYS 777 N -0.40 0.00 0.00 5.26 1.79 -1.03 -2.04 116.57 120.15 2pkl h LYS 777 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2pkl h LYS 777 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2pkl h LYS 777 CO 0.07 0.09 0.00 -1.13 -1.08 0.00 0.00 179.45 177.40 2pkl n SER 778 N -3.60 0.00 -1.86 0.86 3.41 -0.36 -3.91 113.62 108.15 2pkl n SER 778 Ca -0.02 0.22 -0.17 0.00 -0.26 0.00 0.00 58.87 58.64 2pkl n SER 778 Cb 0.21 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 2pkl n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pkl n ARG 779 N -1.40 -1.34 -2.67 4.33 1.74 -0.77 -4.88 116.66 111.67 2pkl n ARG 779 Ca 0.09 0.87 -0.08 0.00 -0.77 0.00 0.00 57.85 57.96 2pkl n ARG 779 Cb 0.25 -5.29 0.06 0.00 -1.02 0.00 0.00 32.46 26.46 2pkl n ARG 779 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pkl n MET 780 N -2.63 1.16 0.02 5.56 0.00 -1.24 -4.97 117.12 115.03 2pkl n MET 780 Ca -0.20 -2.85 -0.12 0.00 0.00 0.00 0.00 57.70 54.53 2pkl n MET 780 Cb 0.64 -0.91 -0.07 0.00 0.00 0.00 0.00 33.22 32.88 2pkl n MET 780 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2pkl h TYR 781 N 2.71 0.04 -0.43 3.17 5.03 -1.83 -2.63 116.97 123.04 2pkl h TYR 781 Ca -0.15 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.22 2pkl h TYR 781 Cb 1.21 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.43 2pkl h TYR 781 CO 0.40 0.11 0.13 0.66 -1.32 0.00 0.00 178.16 178.14 2pkl h SER 782 N -0.04 0.11 -0.78 -2.11 4.64 -1.93 -1.53 113.55 111.91 2pkl h SER 782 Ca 0.01 0.06 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 2pkl h SER 782 Cb 0.08 0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.18 2pkl h SER 782 CO -0.00 0.09 0.49 1.56 -0.87 0.00 0.00 176.83 178.10 2pkl h GLN 783 N 0.28 0.92 -0.39 4.77 7.50 -1.96 -1.04 115.11 125.20 2pkl h GLN 783 Ca 0.20 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.29 2pkl h GLN 783 Cb 0.21 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 2pkl h GLN 783 CO -0.23 0.61 0.22 0.00 -1.50 0.00 0.00 178.83 177.93 2pkl h VAL 785 N 0.54 1.22 -0.87 0.00 2.07 -0.23 0.17 116.25 119.15 2pkl h VAL 785 Ca 0.14 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2pkl h VAL 785 Cb 0.01 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2pkl h VAL 785 CO -0.02 0.24 0.50 0.03 0.02 0.00 0.00 177.57 178.34 2pkl h ARG 786 N 0.27 1.20 -0.48 1.57 3.08 -0.67 0.12 114.38 119.47 2pkl h ARG 786 Ca 0.08 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 2pkl h ARG 786 Cb 0.32 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2pkl h ARG 786 CO 0.00 0.86 -0.02 0.52 -1.07 0.00 0.00 179.97 180.27 2pkl h MET 787 N 1.21 0.85 -0.91 0.04 2.86 -0.82 -0.36 114.93 117.79 2pkl h MET 787 Ca 0.31 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2pkl h MET 787 Cb -0.01 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 2pkl h MET 787 CO -0.05 0.90 0.54 -0.09 1.06 0.00 0.00 176.91 179.27 2pkl h ARG 788 N 0.70 1.24 -0.37 1.72 2.43 0.14 0.11 114.38 120.35 2pkl h ARG 788 Ca 0.13 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2pkl h ARG 788 Cb 0.53 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2pkl h ARG 788 CO 0.03 0.88 0.17 0.45 -1.51 0.00 0.00 179.97 179.99 2pkl h HIS 789 N 1.26 0.54 -0.53 2.20 3.86 -0.64 0.97 115.15 122.81 2pkl h HIS 789 Ca 0.33 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.56 2pkl h HIS 789 Cb -0.04 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.21 2pkl h HIS 789 CO 0.01 0.47 0.26 1.25 0.86 0.00 0.00 177.93 180.77 2pkl h LEU 790 N 0.46 0.35 -0.61 2.43 5.85 -0.58 -0.23 115.31 122.99 2pkl h LEU 790 Ca 0.13 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.94 2pkl h LEU 790 Cb 0.13 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 2pkl h LEU 790 CO -0.01 0.24 0.32 -1.28 -0.34 0.00 0.00 178.44 177.36 2pkl h SER 791 N 0.49 0.46 -0.07 1.25 0.87 -0.13 -1.68 113.55 114.75 2pkl h SER 791 Ca 0.24 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 2pkl h SER 791 Cb 0.18 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2pkl h SER 791 CO -0.19 0.30 -0.04 1.56 -0.53 0.00 0.00 176.83 177.94 2pkl h GLN 792 N 0.60 0.27 -0.51 2.24 4.20 0.66 -2.56 115.11 120.00 2pkl h GLN 792 Ca 0.27 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 59.01 2pkl h GLN 792 Cb 0.19 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2pkl h GLN 792 CO -0.18 0.33 0.34 0.93 -0.67 0.00 0.00 178.83 179.58 2pkl h GLU 793 N 0.26 0.41 -0.48 1.46 4.39 -0.12 -0.01 114.58 120.51 2pkl h GLU 793 Ca 0.06 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.81 2pkl h GLU 793 Cb 0.25 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2pkl h GLU 793 CO 0.01 0.27 0.32 0.74 -1.16 0.00 0.00 179.01 179.20 2pkl h PHE 794 N 0.43 0.35 0.11 4.33 0.04 -1.48 -0.83 116.94 119.89 2pkl h PHE 794 Ca 0.23 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 2pkl h PHE 794 Cb 0.35 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.38 2pkl h PHE 794 CO -0.00 0.18 -0.05 0.78 -0.60 0.00 0.00 178.31 178.62 2pkl h GLY 795 N 0.34 -0.16 -0.38 -1.45 0.00 -1.16 -1.81 103.07 98.46 2pkl h GLY 795 Ca 0.21 0.06 0.19 0.00 0.00 0.00 0.00 47.33 47.79 2pkl h GLY 795 CO -0.05 -0.06 0.05 1.49 0.00 0.00 0.00 176.54 177.98 2pkl h TRP 796 N -1.00 0.03 -0.00 5.60 -0.00 -1.11 0.17 115.95 119.64 2pkl h TRP 796 Ca -0.02 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 2pkl h TRP 796 Cb 0.34 0.11 0.00 0.00 -0.00 0.00 0.00 29.16 29.61 2pkl h TRP 796 CO 0.06 -0.23 -0.21 1.28 -0.00 0.00 0.00 178.44 179.33 2pkl n LEU 797 N -5.32 0.31 -3.65 -4.49 4.77 -0.34 -4.95 117.00 103.33 2pkl n LEU 797 Ca 0.15 0.19 -0.21 0.00 -0.03 0.00 0.00 56.01 56.11 2pkl n LEU 797 Cb 0.52 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 2pkl n LEU 797 CO 0.05 0.07 -0.05 0.00 -1.33 0.00 0.00 177.39 176.13 2pkl n GLN 798 N -1.36 -4.78 -1.92 3.23 6.02 0.60 -4.86 117.38 114.31 2pkl n GLN 798 Ca 0.08 0.65 -0.43 0.00 -0.01 0.00 0.00 57.00 57.29 2pkl n GLN 798 Cb 0.32 -5.22 -0.03 0.00 1.02 0.00 0.00 30.24 26.33 2pkl n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pkl s ILE 799 N -3.62 3.43 0.67 5.09 -1.09 -0.72 -4.97 121.20 119.98 2pkl s ILE 799 Ca 0.04 0.49 -0.12 0.00 -2.23 0.00 0.00 60.65 58.83 2pkl s ILE 799 Cb -0.01 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 2pkl s ILE 799 CO 0.80 -0.13 1.07 0.42 -1.23 0.00 0.00 174.94 175.86 2pkl s THR 800 N 5.23 3.83 0.43 2.92 -4.23 -1.26 -4.83 115.64 117.73 2pkl s THR 800 Ca 0.80 0.69 0.15 0.00 -1.18 0.00 0.00 61.69 62.15 2pkl s THR 800 Cb -0.32 -3.31 0.35 0.00 1.34 0.00 0.00 72.50 70.56 2pkl s THR 800 CO 0.33 -0.69 1.93 1.55 -0.54 0.00 0.00 174.62 177.20 2pkl h PRO 801 N -0.38 0.41 -0.50 3.99 0.13 -2.00 -1.09 132.00 132.56 2pkl h PRO 801 Ca -0.45 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 2pkl h PRO 801 Cb 1.22 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2pkl h PRO 801 CO 0.56 0.27 -0.14 1.96 -0.23 0.00 0.00 178.00 180.42 2pkl h GLN 802 N 0.42 0.98 -0.80 0.86 7.50 -2.00 -2.34 115.11 119.72 2pkl h GLN 802 Ca 0.35 -0.38 -0.03 0.00 0.50 0.00 0.00 58.65 59.09 2pkl h GLN 802 Cb 0.79 -0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.23 2pkl h GLN 802 CO -0.11 1.05 0.37 0.93 -1.50 0.00 0.00 178.83 179.58 2pkl h GLU 803 N 0.84 1.16 0.05 1.46 5.08 -1.59 -2.49 114.58 119.08 2pkl h GLU 803 Ca 0.13 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2pkl h GLU 803 Cb 0.70 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2pkl h GLU 803 CO 0.05 0.90 -0.14 0.35 -1.00 0.00 0.00 179.01 179.18 2pkl h PHE 804 N 1.14 -0.36 -0.01 4.33 3.57 -1.09 -1.46 116.94 123.06 2pkl h PHE 804 Ca 0.27 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.81 2pkl h PHE 804 Cb 0.13 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 2pkl h PHE 804 CO 0.01 -0.21 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.65 2pkl h LEU 805 N -0.26 -0.49 -0.06 0.59 3.38 -1.18 -0.51 115.31 116.77 2pkl h LEU 805 Ca 0.03 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2pkl h LEU 805 Cb 0.30 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2pkl h LEU 805 CO -0.10 -0.23 -0.11 0.00 0.09 0.00 0.00 178.44 178.09 2pkl h MET 807 N -0.15 0.68 -0.74 0.00 2.86 -1.01 -0.07 114.93 116.50 2pkl h MET 807 Ca 0.06 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2pkl h MET 807 Cb 0.24 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2pkl h MET 807 CO -0.16 0.45 0.29 -0.22 1.06 0.00 0.00 176.91 178.33 2pkl h LYS 808 N 0.70 1.11 -0.54 1.72 3.64 -0.60 -1.72 116.57 120.87 2pkl h LYS 808 Ca 0.35 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2pkl h LYS 808 Cb 0.30 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2pkl h LYS 808 CO -0.23 0.91 0.31 0.00 -2.27 0.00 0.00 179.45 178.17 2pkl h ALA 809 N 1.14 0.69 -0.82 5.00 0.00 0.14 -2.30 119.26 123.11 2pkl h ALA 809 Ca 0.24 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.16 2pkl h ALA 809 Cb 0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2pkl h ALA 809 CO -0.02 0.20 0.53 1.25 0.00 0.00 0.00 179.25 181.22 2pkl h LEU 810 N 0.73 0.71 -1.45 0.00 5.85 -0.50 -2.38 115.31 118.28 2pkl h LEU 810 Ca 0.19 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.01 2pkl h LEU 810 Cb 0.03 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2pkl h LEU 810 CO -0.03 0.43 0.47 -0.07 -0.34 0.00 0.00 178.44 178.89 2pkl h LEU 811 N 0.79 0.57 -1.77 2.25 3.38 -0.73 -0.29 115.31 119.51 2pkl h LEU 811 Ca 0.37 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.37 2pkl h LEU 811 Cb 0.40 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2pkl h LEU 811 CO -0.15 0.35 0.19 0.25 0.09 0.00 0.00 178.44 179.17 2pkl h LEU 812 N 0.63 0.26 -3.91 1.67 5.85 -1.46 -1.66 115.31 116.69 2pkl h LEU 812 Ca 0.32 -0.00 -0.48 0.00 0.84 0.00 0.00 57.88 58.55 2pkl h LEU 812 Cb 0.42 -0.06 -0.28 0.00 0.37 0.00 0.00 40.66 41.10 2pkl h LEU 812 CO -0.11 0.19 0.56 0.49 -0.34 0.00 0.00 178.44 179.23 2pkl n PHE 813 N -4.49 2.82 -0.07 1.25 3.72 -0.14 -4.50 117.46 116.06 2pkl n PHE 813 Ca 0.02 -1.89 0.02 0.00 -0.05 0.00 0.00 57.45 55.55 2pkl n PHE 813 Cb 0.13 -0.91 0.06 0.00 -0.94 0.00 0.00 39.48 37.81 2pkl n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pkl n SER 814 N -1.13 2.34 -3.71 4.37 7.64 -0.63 -4.93 113.62 117.58 2pkl n SER 814 Ca 0.57 -2.00 -0.12 0.00 1.01 0.00 0.00 58.87 58.33 2pkl n SER 814 Cb 1.54 -0.09 -0.12 0.00 -1.01 0.00 0.00 64.21 64.53 2pkl n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2pkl s ILE 815 N -1.00 -0.12 0.18 0.44 2.07 -1.26 0.11 121.20 121.61 2pkl s ILE 815 Ca 0.09 0.16 -0.10 0.00 -1.41 0.00 0.00 60.65 59.38 2pkl s ILE 815 Cb 0.04 -0.46 -0.00 0.00 0.13 0.00 0.00 42.46 42.17 2pkl s ILE 815 CO 0.06 0.06 0.33 0.27 -1.91 0.00 0.00 174.94 173.76 2pkl s ILE 816 N 1.54 0.05 0.30 2.00 -4.36 -0.97 -4.76 121.20 115.00 2pkl s ILE 816 Ca -0.07 -1.30 -0.29 0.00 -0.26 0.00 0.00 60.65 58.73 2pkl s ILE 816 Cb -0.10 -1.84 -0.09 0.00 1.25 0.00 0.00 42.46 41.68 2pkl s ILE 816 CO -0.10 -0.24 1.10 -2.16 0.24 0.00 0.00 174.94 173.78 2pkl s PRO 817 N -3.96 4.56 0.35 0.37 0.04 -1.26 -0.38 135.00 134.72 2pkl s PRO 817 Ca 0.17 1.78 0.08 0.00 0.04 0.00 0.00 61.00 63.06 2pkl s PRO 817 Cb 0.02 -3.09 0.78 0.00 0.04 0.00 0.00 34.50 32.25 2pkl s PRO 817 CO 0.00 0.15 1.89 0.28 0.04 0.00 0.00 177.00 179.36 2pkl h VAL 818 N 2.97 0.88 -0.18 -0.36 2.07 -0.67 0.22 116.25 121.17 2pkl h VAL 818 Ca -0.47 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2pkl h VAL 818 Cb 1.21 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2pkl h VAL 818 CO 0.66 0.13 -0.06 0.44 0.02 0.00 0.00 177.57 178.77 2pkl h ASP 819 N 0.73 0.25 -5.00 0.57 3.32 -1.92 -3.49 116.42 110.88 2pkl h ASP 819 Ca 0.42 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2pkl h ASP 819 Cb 0.60 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2pkl h ASP 819 CO -0.18 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.29 2pkl n GLY 820 N -1.02 2.43 3.94 2.75 0.00 0.06 -5.08 105.19 108.28 2pkl n GLY 820 Ca -0.00 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.76 2pkl n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pkl s LEU 821 N 0.00 2.78 0.19 0.99 1.43 -1.26 -4.81 118.68 118.00 2pkl s LEU 821 Ca 0.00 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 2pkl s LEU 821 Cb 0.00 -2.77 0.11 0.00 0.03 0.00 0.00 46.19 43.56 2pkl s LEU 821 CO 0.00 -1.93 1.81 0.11 0.23 0.00 0.00 176.35 176.57 2pkl h LYS 822 N -0.87 0.91 -2.61 1.70 1.57 -1.97 -3.28 116.57 112.01 2pkl h LYS 822 Ca -0.43 -0.10 -0.60 0.00 -1.87 0.00 0.00 60.65 57.64 2pkl h LYS 822 Cb 1.29 -0.18 -0.41 0.00 0.08 0.00 0.00 32.23 33.01 2pkl h LYS 822 CO 0.53 0.67 -0.72 -1.71 -0.57 0.00 0.00 179.45 177.65 2pkl n ASN 823 N -4.54 2.14 -0.02 0.86 4.05 -1.26 -4.92 115.26 111.57 2pkl n ASN 823 Ca 0.05 -3.03 0.03 0.00 0.45 0.00 0.00 54.58 52.07 2pkl n ASN 823 Cb 0.08 -0.68 0.37 0.00 1.23 0.00 0.00 39.78 40.78 2pkl n ASN 823 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 2pkl h GLN 824 N 5.00 0.59 -0.31 1.20 1.08 -1.95 -3.00 115.11 117.71 2pkl h GLN 824 Ca 0.18 -0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.39 2pkl h GLN 824 Cb 0.78 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 28.01 2pkl h GLN 824 CO 0.64 0.44 -0.30 -0.22 -0.95 0.00 0.00 178.83 178.45 2pkl h LYS 825 N 0.59 -0.26 0.00 1.46 3.64 -1.92 0.13 116.57 120.21 2pkl h LYS 825 Ca 0.15 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2pkl h LYS 825 Cb 0.03 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2pkl h LYS 825 CO -0.02 -0.17 -0.37 0.35 -2.27 0.00 0.00 179.45 176.96 2pkl h PHE 826 N -0.27 0.00 -0.10 1.91 -0.00 -1.96 -2.92 116.94 113.59 2pkl h PHE 826 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.10 2pkl h PHE 826 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.46 2pkl h PHE 826 CO -0.47 0.37 -0.04 0.35 -0.00 0.00 0.00 178.31 178.52 2pkl h PHE 827 N 0.00 0.23 -0.99 0.41 3.04 -1.01 -0.64 116.94 117.98 2pkl h PHE 827 Ca -0.00 -0.06 0.06 0.00 3.98 0.00 0.00 57.97 61.95 2pkl h PHE 827 Cb 0.83 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 39.22 2pkl h PHE 827 CO 0.00 0.55 0.64 -0.44 -2.02 0.00 0.00 178.31 177.04 2pkl h ASP 828 N -0.15 1.04 -0.31 0.41 3.32 -0.74 0.16 116.42 120.15 2pkl h ASP 828 Ca 0.02 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.90 2pkl h ASP 828 Cb 0.48 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 2pkl h ASP 828 CO 0.01 0.67 -0.49 -0.08 -1.72 0.00 0.00 179.24 177.64 2pkl h GLU 829 N 1.19 0.89 -0.28 3.56 4.81 -1.45 -0.20 114.58 123.10 2pkl h GLU 829 Ca 0.42 -0.53 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2pkl h GLU 829 Cb 0.13 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2pkl h GLU 829 CO -0.16 1.17 0.03 1.25 -0.73 0.00 0.00 179.01 180.56 2pkl h LEU 830 N 0.70 0.45 -0.14 1.64 5.85 -0.49 -1.93 115.31 121.38 2pkl h LEU 830 Ca 0.03 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.50 2pkl h LEU 830 Cb 1.09 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 2pkl h LEU 830 CO 0.11 0.61 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.71 2pkl h ARG 831 N 0.27 0.01 -0.94 1.25 2.43 -0.62 -1.89 114.38 114.89 2pkl h ARG 831 Ca 0.08 -0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.42 2pkl h ARG 831 Cb 0.37 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.81 2pkl h ARG 831 CO 0.01 0.01 0.54 1.98 -1.51 0.00 0.00 179.97 180.99 2pkl h MET 832 N 0.01 0.68 -0.15 0.20 4.05 -0.89 -2.00 114.93 116.83 2pkl h MET 832 Ca 0.07 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2pkl h MET 832 Cb 0.10 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 2pkl h MET 832 CO -0.14 0.45 0.02 -0.91 0.23 0.00 0.00 176.91 176.56 2pkl h ASN 833 N 0.70 0.25 -0.60 1.39 2.35 -0.57 -2.21 115.58 116.90 2pkl h ASN 833 Ca 0.53 -0.28 0.05 0.00 -0.55 0.00 0.00 56.30 56.06 2pkl h ASN 833 Cb 0.81 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 2pkl h ASN 833 CO -0.38 0.46 0.40 1.88 -1.65 0.00 0.00 177.43 178.14 2pkl h TYR 834 N 0.03 0.61 -0.35 1.19 -1.99 -0.85 -0.32 116.97 115.28 2pkl h TYR 834 Ca 0.05 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 2pkl h TYR 834 Cb 0.32 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 2pkl h TYR 834 CO 0.02 0.33 0.13 0.82 -0.00 0.00 0.00 178.16 179.47 2pkl h ILE 835 N 0.61 1.19 -0.49 -2.88 2.04 -1.09 -0.70 117.51 116.19 2pkl h ILE 835 Ca 0.25 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.57 2pkl h ILE 835 Cb 0.23 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 2pkl h ILE 835 CO -0.07 0.21 0.15 0.11 0.00 0.00 0.00 178.15 178.55 2pkl h LYS 836 N 0.41 0.31 -0.97 2.37 1.57 -0.51 0.34 116.57 120.09 2pkl h LYS 836 Ca 0.11 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 2pkl h LYS 836 Cb 0.21 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 2pkl h LYS 836 CO -0.01 0.20 0.60 0.93 -0.57 0.00 0.00 179.45 180.60 2pkl h GLU 837 N 0.32 0.90 0.11 3.15 4.39 -0.55 0.30 114.58 123.20 2pkl h GLU 837 Ca 0.24 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 2pkl h GLU 837 Cb 0.27 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2pkl h GLU 837 CO -0.26 0.60 -0.05 1.25 -1.16 0.00 0.00 179.01 179.38 2pkl h LEU 838 N 0.93 -0.13 -0.40 1.33 5.85 0.54 -0.39 115.31 123.05 2pkl h LEU 838 Ca 0.49 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.21 2pkl h LEU 838 Cb 0.51 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2pkl h LEU 838 CO -0.28 -0.06 0.19 -0.78 -0.34 0.00 0.00 178.44 177.18 2pkl h ASP 839 N -0.19 0.27 -0.61 1.25 3.58 -0.17 -1.55 116.42 119.00 2pkl h ASP 839 Ca -0.02 0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.58 2pkl h ASP 839 Cb 0.15 -0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.08 2pkl h ASP 839 CO 0.03 0.20 0.10 -0.09 -2.88 0.00 0.00 179.24 176.60 2pkl h ARG 840 N 0.39 0.22 0.25 0.28 2.43 -0.11 -0.49 114.38 117.34 2pkl h ARG 840 Ca 0.17 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2pkl h ARG 840 Cb 0.09 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2pkl h ARG 840 CO -0.13 0.14 -0.18 0.82 -1.51 0.00 0.00 179.97 179.12 2pkl h ILE 841 N 0.23 0.63 0.32 1.20 1.08 -0.16 -3.20 117.51 117.60 2pkl h ILE 841 Ca 0.33 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.79 2pkl h ILE 841 Cb 0.50 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 2pkl h ILE 841 CO -0.44 0.00 -0.51 0.40 -0.69 0.00 0.00 178.15 176.91 2pkl h ILE 842 N -0.42 0.02 0.00 -0.67 2.04 -0.36 -2.96 117.51 115.15 2pkl h ILE 842 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2pkl h ILE 842 Cb 0.36 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2pkl h ILE 842 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 2pkl n ALA 843 N -2.86 2.26 -1.57 1.87 0.00 -0.29 -3.48 120.51 116.45 2pkl n ALA 843 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.40 2pkl n ALA 843 Cb 0.44 -1.52 0.14 0.00 0.00 0.00 0.00 19.45 18.52 2pkl n ALA 843 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pkl n LYS 845 N -0.93 0.21 -2.48 0.00 4.81 -1.23 -5.13 118.16 113.42 2pkl n LYS 845 Ca 0.15 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.35 2pkl n LYS 845 Cb 0.73 -0.03 0.04 0.00 0.02 0.00 0.00 35.03 35.80 2pkl n LYS 845 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2pkl s ARG 846 N -0.39 2.56 0.00 1.64 3.00 -1.26 -5.01 118.95 119.50 2pkl s ARG 846 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 55.73 55.33 2pkl s ARG 846 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 34.95 32.61 2pkl s ARG 846 CO 0.00 -0.84 0.00 1.17 0.00 0.00 0.00 175.30 175.63 2pkl n LYS 847 N -2.56 0.28 -1.62 3.54 3.00 -1.26 -4.98 118.16 114.55 2pkl n LYS 847 Ca 0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.04 2pkl n LYS 847 Cb 0.59 -0.55 0.06 0.00 0.00 0.00 0.00 35.03 35.13 2pkl n LYS 847 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2pkl s ASN 848 N -1.84 4.79 0.16 3.14 -0.87 -1.26 -4.97 114.94 114.09 2pkl s ASN 848 Ca 0.00 2.08 0.06 0.00 -1.57 0.00 0.00 52.86 53.44 2pkl s ASN 848 Cb 0.00 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 2pkl s ASN 848 CO 0.00 -1.85 1.37 -0.65 -2.57 0.00 0.00 177.10 173.40 2pkl h PRO 849 N -0.17 0.06 0.19 -0.60 0.11 -2.01 -3.29 132.00 126.29 2pkl h PRO 849 Ca -0.47 -0.07 -0.32 0.00 0.11 0.00 0.00 66.00 65.26 2pkl h PRO 849 Cb 1.26 0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.41 2pkl h PRO 849 CO 0.52 0.91 -1.44 1.15 -0.21 0.00 0.00 178.00 178.94 2pkl h THR 850 N 0.03 1.31 0.40 -1.15 2.02 -1.99 -3.26 112.91 110.26 2pkl h THR 850 Ca -0.02 -2.82 -0.01 0.00 0.77 0.00 0.00 66.41 64.33 2pkl h THR 850 Cb 1.57 2.95 -0.02 0.00 -1.74 0.00 0.00 68.15 70.91 2pkl h THR 850 CO 0.12 0.84 -0.40 -1.28 0.37 0.00 0.00 175.52 175.18 2pkl h SER 851 N 0.11 -1.09 -0.89 4.18 0.87 -1.96 -0.31 113.55 114.46 2pkl h SER 851 Ca -0.22 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2pkl h SER 851 Cb 2.08 0.36 -0.05 0.00 -0.44 0.00 0.00 62.40 64.36 2pkl h SER 851 CO 0.23 -0.52 0.59 0.00 -0.53 0.00 0.00 176.83 176.60 2pkl h SER 853 N 1.17 -0.04 0.17 0.00 0.87 -1.55 -2.25 113.55 111.92 2pkl h SER 853 Ca 0.34 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 2pkl h SER 853 Cb -0.07 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2pkl h SER 853 CO -0.09 0.03 -0.34 -0.09 -0.53 0.00 0.00 176.83 175.82 2pkl h ARG 854 N -0.10 0.25 -0.39 2.24 2.43 -0.90 -2.71 114.38 115.19 2pkl h ARG 854 Ca -0.00 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2pkl h ARG 854 Cb 0.09 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2pkl h ARG 854 CO 0.01 0.56 0.18 -0.09 -1.51 0.00 0.00 179.97 179.12 2pkl h ARG 855 N 0.22 0.57 -0.67 0.20 9.65 -1.25 -2.09 114.38 121.02 2pkl h ARG 855 Ca 0.03 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2pkl h ARG 855 Cb 0.71 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.15 2pkl h ARG 855 CO 0.05 0.51 0.44 0.35 2.80 0.00 0.00 179.97 184.13 2pkl h PHE 856 N 0.50 0.76 -0.47 2.20 3.57 -1.18 -2.03 116.94 120.28 2pkl h PHE 856 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2pkl h PHE 856 Cb 0.14 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2pkl h PHE 856 CO -0.01 0.44 0.12 -0.92 -2.23 0.00 0.00 178.31 175.72 2pkl h TYR 857 N 0.79 0.78 0.27 0.41 3.20 -1.12 -1.87 116.97 119.43 2pkl h TYR 857 Ca 0.27 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2pkl h TYR 857 Cb 0.08 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2pkl h TYR 857 CO -0.00 0.70 -0.13 1.96 -1.64 0.00 0.00 178.16 179.05 2pkl h GLN 858 N 0.63 -0.35 -0.01 1.82 4.20 -0.73 -2.68 115.11 117.99 2pkl h GLN 858 Ca 0.15 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2pkl h GLN 858 Cb 0.31 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 2pkl h GLN 858 CO -0.00 -0.18 0.01 -0.07 -0.67 0.00 0.00 178.83 177.91 2pkl h LEU 859 N -0.44 0.01 -2.17 1.46 3.38 -1.42 0.24 115.31 116.36 2pkl h LEU 859 Ca -0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2pkl h LEU 859 Cb 0.33 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2pkl h LEU 859 CO 0.06 0.01 0.14 0.71 0.09 0.00 0.00 178.44 179.44 2pkl h THR 860 N 0.01 0.67 0.04 0.22 1.35 -1.39 0.47 112.91 114.28 2pkl h THR 860 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.78 2pkl h THR 860 Cb -0.00 0.90 0.01 0.00 -1.73 0.00 0.00 68.15 67.33 2pkl h THR 860 CO -0.00 0.00 -0.34 0.11 -0.25 0.00 0.00 175.52 175.04 2pkl h LYS 861 N 0.00 0.16 -0.77 4.72 1.79 -1.00 -2.20 116.57 119.28 2pkl h LYS 861 Ca 0.07 -0.23 0.14 0.00 -2.18 0.00 0.00 60.65 58.45 2pkl h LYS 861 Cb 0.34 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.98 2pkl h LYS 861 CO -0.00 1.04 0.34 1.25 -1.08 0.00 0.00 179.45 181.00 2pkl h LEU 862 N -0.61 0.37 -0.03 2.94 5.85 0.11 0.06 115.31 123.99 2pkl h LEU 862 Ca -0.05 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2pkl h LEU 862 Cb 1.19 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2pkl h LEU 862 CO 0.06 0.16 0.02 -0.07 -0.34 0.00 0.00 178.44 178.27 2pkl h LEU 863 N 0.51 0.04 -1.00 2.25 3.38 -0.16 -2.95 115.31 117.38 2pkl h LEU 863 Ca 0.42 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.38 2pkl h LEU 863 Cb 0.59 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 2pkl h LEU 863 CO -0.37 0.12 0.64 0.44 0.09 0.00 0.00 178.44 179.35 2pkl h ASP 864 N -0.04 0.99 0.25 -0.43 3.32 -0.51 -1.81 116.42 118.20 2pkl h ASP 864 Ca 0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2pkl h ASP 864 Cb 0.09 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2pkl h ASP 864 CO -0.00 0.60 0.00 -1.54 -1.72 0.00 0.00 179.24 176.57 2pkl n SER 865 N -4.55 0.46 0.03 6.45 3.41 -0.13 -1.90 113.62 117.38 2pkl n SER 865 Ca 0.17 0.67 -0.13 0.00 -0.26 0.00 0.00 58.87 59.32 2pkl n SER 865 Cb 0.24 -0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 63.43 2pkl n SER 865 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2pkl h VAL 866 N 0.00 1.35 0.08 -3.33 2.07 -1.32 -3.34 116.25 111.75 2pkl h VAL 866 Ca 0.00 -2.13 0.02 0.00 0.82 0.00 0.00 66.70 65.41 2pkl h VAL 866 Cb 0.13 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2pkl h VAL 866 CO 0.00 0.65 -0.35 1.56 0.02 0.00 0.00 177.57 179.45 2pkl h GLN 867 N 0.36 -0.53 -0.72 1.57 1.08 -1.50 -0.84 115.11 114.52 2pkl h GLN 867 Ca -0.05 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.29 2pkl h GLN 867 Cb 1.39 0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 28.89 2pkl h GLN 867 CO 0.14 -0.35 0.47 -1.35 -0.95 0.00 0.00 178.83 176.79 2pkl h PRO 868 N -0.55 0.56 0.03 1.46 0.11 -1.71 -0.11 132.00 131.78 2pkl h PRO 868 Ca 0.04 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2pkl h PRO 868 Cb 0.60 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2pkl h PRO 868 CO -0.23 0.37 -0.01 0.82 -0.21 0.00 0.00 178.00 178.74 2pkl h ILE 869 N 0.58 1.28 -0.92 4.15 2.04 -1.59 -2.77 117.51 120.27 2pkl h ILE 869 Ca 0.33 -0.97 0.10 0.00 1.00 0.00 0.00 64.86 65.32 2pkl h ILE 869 Cb 0.53 1.93 -0.08 0.00 -0.74 0.00 0.00 36.82 38.47 2pkl h ILE 869 CO -0.12 0.25 0.56 0.00 0.00 0.00 0.00 178.15 178.84 2pkl h ALA 870 N 0.50 1.35 0.00 1.87 0.00 -0.44 -0.77 119.26 121.76 2pkl h ALA 870 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2pkl h ALA 870 Cb 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2pkl h ALA 870 CO 0.01 0.19 -0.11 -0.09 0.00 0.00 0.00 179.25 179.24 2pkl h ARG 871 N 0.92 0.00 0.02 0.00 1.12 -0.96 -0.42 114.38 115.06 2pkl h ARG 871 Ca 0.45 0.00 -0.23 0.00 -1.11 0.00 0.00 59.98 59.09 2pkl h ARG 871 Cb 0.40 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.36 2pkl h ARG 871 CO -0.25 0.11 -0.97 0.93 -3.11 0.00 0.00 179.97 176.68 2pkl h GLU 872 N 0.00 0.35 -0.03 0.20 5.08 -0.86 -2.79 114.58 116.53 2pkl h GLU 872 Ca -0.00 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.78 2pkl h GLU 872 Cb 0.21 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2pkl h GLU 872 CO 0.01 1.09 -0.76 -0.07 -1.00 0.00 0.00 179.01 178.28 2pkl h LEU 873 N 0.18 0.28 0.16 1.33 3.38 -0.97 0.02 115.31 119.68 2pkl h LEU 873 Ca -0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2pkl h LEU 873 Cb 1.62 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.29 2pkl h LEU 873 CO 0.16 0.94 -0.08 0.45 0.09 0.00 0.00 178.44 180.00 2pkl h HIS 874 N 0.14 -0.20 0.26 1.13 3.86 -1.12 0.32 115.15 119.56 2pkl h HIS 874 Ca -0.03 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2pkl h HIS 874 Cb 1.34 0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.85 2pkl h HIS 874 CO 0.03 -0.05 -0.38 0.37 0.86 0.00 0.00 177.93 178.76 2pkl h GLN 875 N -0.31 -0.68 -0.10 2.45 5.75 -1.44 -0.19 115.11 120.59 2pkl h GLN 875 Ca -0.02 0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 2pkl h GLN 875 Cb 0.24 0.15 -0.06 0.00 1.07 0.00 0.00 27.48 28.88 2pkl h GLN 875 CO 0.04 -0.45 -0.36 0.35 -2.65 0.00 0.00 178.83 175.76 2pkl h PHE 876 N -0.71 -0.99 -0.70 3.99 3.04 -0.75 -1.01 116.94 119.81 2pkl h PHE 876 Ca -0.01 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2pkl h PHE 876 Cb 0.68 0.45 -0.03 0.00 2.56 0.00 0.00 35.95 39.60 2pkl h PHE 876 CO -0.27 -0.43 0.39 0.00 -2.02 0.00 0.00 178.31 175.98 2pkl h THR 877 N -0.45 1.21 0.13 4.41 1.03 -0.24 -0.52 112.91 118.48 2pkl h THR 877 Ca 0.08 -0.50 -0.00 0.00 -0.01 0.00 0.00 66.41 65.98 2pkl h THR 877 Cb 0.58 0.25 -0.00 0.00 -1.07 0.00 0.00 68.15 67.91 2pkl h THR 877 CO -0.35 0.23 -0.08 0.15 -0.01 0.00 0.00 175.52 175.45 2pkl h PHE 878 N 0.97 -0.22 -0.63 0.00 3.57 -0.33 0.18 116.94 120.49 2pkl h PHE 878 Ca 0.25 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2pkl h PHE 878 Cb 0.01 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 2pkl h PHE 878 CO 0.01 -0.13 0.39 -0.44 -2.23 0.00 0.00 178.31 175.90 2pkl h ASP 879 N -0.21 0.76 -0.99 0.41 3.32 -0.91 -2.23 116.42 116.56 2pkl h ASP 879 Ca -0.01 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.04 2pkl h ASP 879 Cb 0.18 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 2pkl h ASP 879 CO 0.01 0.59 0.65 0.25 -1.72 0.00 0.00 179.24 179.02 2pkl h LEU 880 N 0.86 1.04 -0.02 1.55 5.85 -0.64 -2.38 115.31 121.58 2pkl h LEU 880 Ca 0.23 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2pkl h LEU 880 Cb -0.03 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 2pkl h LEU 880 CO -0.04 0.68 0.01 0.25 -0.34 0.00 0.00 178.44 178.99 2pkl h LEU 881 N 1.19 0.03 -0.56 2.25 5.85 -0.11 -0.61 115.31 123.35 2pkl h LEU 881 Ca 0.42 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 59.05 2pkl h LEU 881 Cb 0.12 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 2pkl h LEU 881 CO -0.16 0.22 0.10 0.40 -0.34 0.00 0.00 178.44 178.66 2pkl h ILE 882 N -0.15 0.65 -0.91 4.05 1.08 -1.02 -0.73 117.51 120.49 2pkl h ILE 882 Ca 0.01 -0.08 -0.52 0.00 -0.39 0.00 0.00 64.86 63.87 2pkl h ILE 882 Cb 0.19 0.40 -0.28 0.00 -3.07 0.00 0.00 36.82 34.06 2pkl h ILE 882 CO -0.00 0.04 0.57 2.29 -0.69 0.00 0.00 178.15 180.36 2pkl n LYS 883 N -5.14 2.38 -0.22 2.37 2.85 -0.93 -4.60 118.16 114.87 2pkl n LYS 883 Ca 0.08 -3.16 -0.07 0.00 -1.05 0.00 0.00 58.31 54.10 2pkl n LYS 883 Cb 0.30 -2.17 0.06 0.00 -0.65 0.00 0.00 35.03 32.57 2pkl n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2pkl h SER 884 N 1.33 1.02 0.99 -5.58 4.64 0.48 -2.39 113.55 114.05 2pkl h SER 884 Ca 0.57 -0.25 -0.12 0.00 -0.47 0.00 0.00 61.79 61.52 2pkl h SER 884 Cb 2.08 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.88 2pkl h SER 884 CO 1.14 1.03 -0.56 0.45 -0.87 0.00 0.00 176.83 178.02 2pkl h HIS 885 N 1.00 0.00 -0.03 4.77 3.86 -1.81 0.18 115.15 123.12 2pkl h HIS 885 Ca 0.19 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.28 2pkl h HIS 885 Cb 0.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2pkl h HIS 885 CO 0.03 0.56 -0.55 0.52 0.86 0.00 0.00 177.93 179.35 2pkl h MET 886 N 0.00 0.10 -0.31 2.45 2.07 -1.83 -3.22 114.93 114.19 2pkl h MET 886 Ca -0.01 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 2pkl h MET 886 Cb 1.20 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.94 2pkl h MET 886 CO 0.07 0.63 0.00 1.33 1.07 0.00 0.00 176.91 180.01 2pkl n VAL 887 N -3.89 0.73 -3.52 -2.22 0.24 -0.92 -5.00 118.33 103.73 2pkl n VAL 887 Ca -0.02 -0.86 -0.20 0.00 -2.04 0.00 0.00 64.34 61.22 2pkl n VAL 887 Cb 0.57 0.71 0.08 0.00 -1.47 0.00 0.00 33.84 33.73 2pkl n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2pkl n SER 888 N 0.74 -3.85 -4.42 -1.34 7.64 -0.51 -4.60 113.62 107.28 2pkl n SER 888 Ca 0.12 -0.60 -0.34 0.00 1.01 0.00 0.00 58.87 59.07 2pkl n SER 888 Cb 0.43 -5.01 -0.13 0.00 -1.01 0.00 0.00 64.21 58.49 2pkl n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2pkl s VAL 889 N -3.36 3.49 -0.18 0.44 1.01 -0.06 -4.77 120.40 116.97 2pkl s VAL 889 Ca 0.26 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 2pkl s VAL 889 Cb -0.11 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2pkl s VAL 889 CO 0.74 0.50 0.13 -1.81 0.00 0.00 0.00 175.10 174.65 2pkl s ASP 890 N 0.51 6.25 -0.20 3.32 1.01 -1.26 -4.58 116.67 121.71 2pkl s ASP 890 Ca -0.06 0.28 -0.03 0.00 0.71 0.00 0.00 52.55 53.45 2pkl s ASP 890 Cb -0.15 -2.09 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 2pkl s ASP 890 CO 0.03 0.23 -0.05 -0.36 0.21 0.00 0.00 175.17 175.23 2pkl s PHE 891 N 0.08 2.95 0.96 4.23 0.40 -1.26 -4.67 117.98 120.67 2pkl s PHE 891 Ca 0.09 -0.79 -0.12 0.00 -0.60 0.00 0.00 56.93 55.51 2pkl s PHE 891 Cb -0.11 -2.05 0.11 0.00 0.51 0.00 0.00 43.02 41.49 2pkl s PHE 891 CO -0.01 -0.42 0.77 -2.30 0.70 0.00 0.00 175.22 173.97 2pkl n PRO 892 N 4.42 -0.63 -0.14 0.24 -0.02 -1.26 -4.58 135.00 133.04 2pkl n PRO 892 Ca -0.18 -0.13 -0.04 0.00 -2.02 0.00 0.00 63.50 61.13 2pkl n PRO 892 Cb 0.51 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 2pkl n PRO 892 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2pkl n GLU 893 N -3.17 -0.14 -0.15 -0.52 2.13 -1.26 -1.51 120.64 116.01 2pkl n GLU 893 Ca 0.08 1.07 -0.10 0.00 0.66 0.00 0.00 57.16 58.87 2pkl n GLU 893 Cb 0.53 -1.59 -0.01 0.00 0.27 0.00 0.00 31.44 30.65 2pkl n GLU 893 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 2pkl h MET 894 N 0.00 0.79 -1.00 5.31 2.86 -1.99 -2.60 114.93 118.30 2pkl h MET 894 Ca 0.05 -0.26 0.08 0.00 -2.06 0.00 0.00 59.70 57.51 2pkl h MET 894 Cb 0.13 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.65 2pkl h MET 894 CO -0.31 0.86 0.64 0.52 1.06 0.00 0.00 176.91 179.69 2pkl h MET 895 N 0.63 1.09 -0.36 1.72 2.86 -1.84 0.71 114.93 119.74 2pkl h MET 895 Ca 0.12 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 2pkl h MET 895 Cb 0.51 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2pkl h MET 895 CO 0.03 0.72 -0.27 0.00 1.06 0.00 0.00 176.91 178.45 2pkl h ALA 896 N 1.48 0.52 -0.57 6.32 0.00 -1.18 -1.93 119.26 123.90 2pkl h ALA 896 Ca 0.45 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2pkl h ALA 896 Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2pkl h ALA 896 CO -0.20 0.53 0.02 1.49 0.00 0.00 0.00 179.25 181.10 2pkl h GLU 897 N 0.61 0.97 -0.11 0.00 4.81 -0.94 -2.71 114.58 117.22 2pkl h GLU 897 Ca 0.07 -0.28 -0.15 0.00 -0.13 0.00 0.00 59.36 58.87 2pkl h GLU 897 Cb 0.84 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.13 2pkl h GLU 897 CO 0.07 0.95 -0.50 0.82 -0.73 0.00 0.00 179.01 179.61 2pkl h ILE 898 N 0.90 1.36 0.00 2.32 2.04 -0.85 -2.60 117.51 120.68 2pkl h ILE 898 Ca 0.17 -1.82 -0.04 0.00 1.00 0.00 0.00 64.86 64.17 2pkl h ILE 898 Cb 0.50 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 2pkl h ILE 898 CO 0.02 0.55 -0.18 0.40 0.00 0.00 0.00 178.15 178.94 2pkl h ILE 899 N 0.13 0.79 0.00 -0.67 2.04 -1.34 0.10 117.51 118.56 2pkl h ILE 899 Ca -0.03 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2pkl h ILE 899 Cb 1.15 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 2pkl h ILE 899 CO 0.10 0.18 -1.02 -1.54 0.00 0.00 0.00 178.15 175.87 2pkl n SER 900 N -3.83 0.63 -0.06 1.72 3.41 -1.02 -3.92 113.62 110.56 2pkl n SER 900 Ca -0.02 -0.01 -0.09 0.00 -0.26 0.00 0.00 58.87 58.49 2pkl n SER 900 Cb 0.28 0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 64.88 2pkl n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pkl n VAL 901 N -2.18 0.63 -0.09 -3.33 0.31 -0.98 -4.70 118.33 107.99 2pkl n VAL 901 Ca 0.01 -0.21 -0.16 0.00 -0.01 0.00 0.00 64.34 63.97 2pkl n VAL 901 Cb 0.47 -1.18 -0.08 0.00 -0.91 0.00 0.00 33.84 32.14 2pkl n VAL 901 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pkl n GLN 902 N -3.09 0.53 -0.28 5.55 1.13 -0.01 -4.30 117.38 116.91 2pkl n GLN 902 Ca -0.21 0.54 0.10 0.00 -1.94 0.00 0.00 57.00 55.49 2pkl n GLN 902 Cb 0.69 -1.71 0.25 0.00 0.11 0.00 0.00 30.24 29.58 2pkl n GLN 902 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2pkl h VAL 903 N -1.00 0.43 -0.36 5.09 2.07 -1.62 0.15 116.25 121.02 2pkl h VAL 903 Ca -0.25 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.28 2pkl h VAL 903 Cb 1.05 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2pkl h VAL 903 CO -0.15 0.05 0.29 -0.65 0.02 0.00 0.00 177.57 177.13 2pkl h PRO 904 N 0.28 0.00 -0.09 1.57 0.11 -1.77 0.87 132.00 132.97 2pkl h PRO 904 Ca 0.50 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.47 2pkl h PRO 904 Cb 0.93 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2pkl h PRO 904 CO -0.57 0.00 -0.55 0.87 -0.21 0.00 0.00 178.00 177.55 2pkl h LYS 905 N 0.00 0.25 -0.06 1.05 1.57 -0.89 -0.59 116.57 117.91 2pkl h LYS 905 Ca 0.17 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2pkl h LYS 905 Cb 0.75 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2pkl h LYS 905 CO -0.00 0.74 -0.23 0.82 -0.57 0.00 0.00 179.45 180.20 2pkl h ILE 906 N 0.20 1.44 0.00 1.86 2.04 -0.81 0.68 117.51 122.91 2pkl h ILE 906 Ca 0.00 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.18 2pkl h ILE 906 Cb 1.02 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 2pkl h ILE 906 CO 0.09 0.46 -0.23 -0.07 0.00 0.00 0.00 178.15 178.40 2pkl h LEU 907 N -0.25 0.00 -1.18 1.44 3.38 -1.30 -1.70 115.31 115.70 2pkl h LEU 907 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pkl h LEU 907 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2pkl h LEU 907 CO 0.05 0.23 0.00 -1.54 0.09 0.00 0.00 178.44 177.27 2pkl n SER 908 N -3.88 1.82 0.00 -0.43 3.41 -0.23 -4.95 113.62 109.36 2pkl n SER 908 Ca -0.02 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 2pkl n SER 908 Cb 0.32 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2pkl n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pkl n GLY 909 N 1.21 0.58 0.17 5.00 0.00 -0.64 -4.91 105.19 106.60 2pkl n GLY 909 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 2pkl n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pkl h LYS 910 N 1.31 0.00 -5.14 1.61 1.57 0.09 -3.43 116.57 112.60 2pkl h LYS 910 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 2pkl h LYS 910 Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 31.98 2pkl h LYS 910 CO 0.00 0.35 -0.86 0.08 -0.57 0.00 0.00 179.45 178.45 2pkl s VAL 911 N -3.13 1.76 0.02 0.50 1.01 -0.71 0.07 120.40 119.93 2pkl s VAL 911 Ca 0.04 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.19 2pkl s VAL 911 Cb 0.07 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2pkl s VAL 911 CO 0.71 0.49 -0.07 -0.54 0.00 0.00 0.00 175.10 175.69 2pkl s LYS 912 N 0.40 0.53 0.70 2.72 1.02 0.49 -4.28 119.74 121.32 2pkl s LYS 912 Ca -0.16 -0.53 -0.15 0.00 0.02 0.00 0.00 55.97 55.14 2pkl s LYS 912 Cb -0.17 -0.40 0.02 0.00 -0.52 0.00 0.00 37.83 36.76 2pkl s LYS 912 CO 0.07 0.09 1.19 -2.14 -0.92 0.00 0.00 175.35 173.64 2pkl s PRO 913 N -0.96 2.34 -0.43 -1.68 0.02 -1.26 -2.30 135.00 130.72 2pkl s PRO 913 Ca -0.04 1.70 -0.11 0.00 0.02 0.00 0.00 61.00 62.57 2pkl s PRO 913 Cb -0.07 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.66 2pkl s PRO 913 CO 0.00 -1.67 0.29 0.42 -0.33 0.00 0.00 177.00 175.71 2pkl s ILE 914 N -2.01 4.58 0.28 2.83 1.01 0.30 -4.88 121.20 123.32 2pkl s ILE 914 Ca 0.73 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 2pkl s ILE 914 Cb -0.28 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 2pkl s ILE 914 CO 0.43 -0.48 0.64 -0.31 0.00 0.00 0.00 174.94 175.23 2pkl s TYR 915 N 1.51 3.40 -0.10 3.97 1.51 -1.26 -4.86 117.35 121.52 2pkl s TYR 915 Ca 0.03 1.04 -0.27 0.00 -1.01 0.00 0.00 57.07 56.86 2pkl s TYR 915 Cb -0.23 -2.39 -0.26 0.00 -0.11 0.00 0.00 41.96 38.97 2pkl s TYR 915 CO 0.04 0.17 0.87 0.74 -1.11 0.00 0.00 175.55 176.27 2pkl h PHE 916 N 2.35 0.13 -1.17 2.71 -1.00 -1.98 -3.47 116.94 114.51 2pkl h PHE 916 Ca -0.47 -0.09 -0.50 0.00 2.81 0.00 0.00 57.97 59.72 2pkl h PHE 916 Cb 1.17 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.71 2pkl h PHE 916 CO 0.61 1.00 -0.29 -1.01 -1.61 0.00 0.00 178.31 177.01 2pkl s HIS 917 N -2.56 2.25 0.00 -0.55 3.76 -1.26 -5.16 115.29 111.77 2pkl s HIS 917 Ca -0.17 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 2pkl s HIS 917 Cb -0.01 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.52 2pkl s HIS 917 CO 0.72 -0.43 0.41 0.25 -0.85 0.00 0.00 174.74 174.83