#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8r n SER 2 N 0.00 0.00 -4.77 3.54 2.88 -1.26 -5.15 113.62 108.86 1a8r n SER 2 Ca 0.00 -0.07 -0.35 0.00 -1.33 0.00 0.00 58.87 57.12 1a8r n SER 2 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1a8r n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a8r s LEU 3 N 0.00 3.73 0.82 2.46 1.43 -1.26 -5.01 118.68 120.85 1a8r s LEU 3 Ca 0.00 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 1a8r s LEU 3 Cb 0.00 -4.58 0.08 0.00 0.03 0.00 0.00 46.19 41.72 1a8r s LEU 3 CO 0.00 -1.32 1.09 -0.94 0.23 0.00 0.00 176.35 175.42 1a8r s SER 4 N -1.71 4.26 0.22 2.29 1.04 -1.26 -4.82 113.70 113.73 1a8r s SER 4 Ca 0.74 1.38 -0.07 0.00 0.48 0.00 0.00 55.95 58.47 1a8r s SER 4 Cb -0.26 -2.10 0.29 0.00 0.10 0.00 0.00 66.02 64.05 1a8r s SER 4 CO 0.29 -2.12 1.82 0.11 0.98 0.00 0.00 173.24 174.32 1a8r h LYS 5 N -1.19 0.78 -0.41 4.02 1.57 -1.99 -0.99 116.57 118.35 1a8r h LYS 5 Ca -0.47 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.22 1a8r h LYS 5 Cb 1.27 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1a8r h LYS 5 CO 0.58 0.52 0.09 0.93 -0.57 0.00 0.00 179.45 180.99 1a8r h GLU 6 N 0.80 0.67 -0.69 3.15 3.07 -1.97 -0.40 114.58 119.21 1a8r h GLU 6 Ca 0.34 -0.17 0.04 0.00 -0.50 0.00 0.00 59.36 59.07 1a8r h GLU 6 Cb 0.19 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.97 1a8r h GLU 6 CO -0.18 0.70 0.42 0.00 -1.40 0.00 0.00 179.01 178.54 1a8r h ALA 7 N 0.94 0.92 0.62 3.43 0.00 -1.72 -0.52 119.26 122.93 1a8r h ALA 7 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1a8r h ALA 7 Cb 0.34 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1a8r h ALA 7 CO 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 179.25 179.11 1a8r h ALA 8 N 1.32 -0.83 -0.27 0.00 0.00 -0.90 -1.61 119.26 116.97 1a8r h ALA 8 Ca 0.29 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1a8r h ALA 8 Cb 0.10 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1a8r h ALA 8 CO -0.14 -0.88 -0.19 -0.07 0.00 0.00 0.00 179.25 177.97 1a8r h LEU 9 N -1.00 -0.63 -0.22 0.00 3.38 -0.88 0.30 115.31 116.26 1a8r h LEU 9 Ca -0.08 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1a8r h LEU 9 Cb 0.68 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1a8r h LEU 9 CO 0.14 -0.23 0.06 0.58 0.09 0.00 0.00 178.44 179.08 1a8r h VAL 10 N -0.18 0.92 -0.63 1.22 2.07 -1.14 -0.10 116.25 118.42 1a8r h VAL 10 Ca 0.15 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1a8r h VAL 10 Cb 0.40 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1a8r h VAL 10 CO -0.37 0.03 0.38 -0.74 0.02 0.00 0.00 177.57 176.88 1a8r h HIS 11 N 0.16 0.70 0.44 1.57 -0.00 -0.86 -0.40 115.15 116.75 1a8r h HIS 11 Ca 0.10 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.47 1a8r h HIS 11 Cb 0.08 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 1a8r h HIS 11 CO -0.13 0.39 -0.27 0.93 -0.00 0.00 0.00 177.93 178.84 1a8r h GLU 12 N 0.73 -0.65 -0.78 5.26 5.08 -0.50 -1.34 114.58 122.38 1a8r h GLU 12 Ca 0.26 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.81 1a8r h GLU 12 Cb 0.05 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.36 1a8r h GLU 12 CO -0.12 -0.43 0.34 0.00 -1.00 0.00 0.00 179.01 177.80 1a8r h ALA 13 N -0.16 1.12 -0.41 3.43 0.00 -0.60 0.90 119.26 123.54 1a8r h ALA 13 Ca -0.05 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1a8r h ALA 13 Cb 0.56 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1a8r h ALA 13 CO 0.05 -0.18 -0.08 -0.07 0.00 0.00 0.00 179.25 178.97 1a8r h LEU 14 N 0.49 0.79 -0.59 0.00 3.38 -0.93 -1.92 115.31 116.53 1a8r h LEU 14 Ca 0.43 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1a8r h LEU 14 Cb 0.64 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1a8r h LEU 14 CO -0.39 0.96 0.23 0.58 0.09 0.00 0.00 178.44 179.91 1a8r h VAL 15 N 0.61 1.23 -0.64 1.22 2.07 -0.15 0.19 116.25 120.77 1a8r h VAL 15 Ca 0.11 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.98 1a8r h VAL 15 Cb 0.61 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1a8r h VAL 15 CO 0.04 0.28 0.32 0.00 0.02 0.00 0.00 177.57 178.22 1a8r h ALA 16 N 1.08 0.86 -0.00 1.67 0.00 -0.69 0.57 119.26 122.74 1a8r h ALA 16 Ca 0.20 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1a8r h ALA 16 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a8r h ALA 16 CO -0.02 -0.05 -0.00 0.54 0.00 0.00 0.00 179.25 179.72 1a8r n ARG 17 N -4.87 1.18 -2.45 0.00 3.00 -0.74 -4.89 116.66 107.90 1a8r n ARG 17 Ca 0.09 -0.28 -0.16 0.00 -0.01 0.00 0.00 57.85 57.49 1a8r n ARG 17 Cb 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.19 1a8r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a8r n GLY 18 N 1.06 -0.24 0.13 -0.13 0.00 0.19 -4.91 105.19 101.29 1a8r n GLY 18 Ca 0.22 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1a8r n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a8r n LEU 19 N -2.44 1.13 -4.76 0.99 4.77 0.52 -4.99 117.00 112.23 1a8r n LEU 19 Ca -0.15 -0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 55.00 1a8r n LEU 19 Cb 0.62 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1a8r n LEU 19 CO 0.25 0.25 1.03 -1.61 -1.33 0.00 0.00 177.39 175.98 1a8r s GLU 20 N -2.85 3.36 0.35 3.23 0.41 -1.22 -4.85 118.70 117.13 1a8r s GLU 20 Ca 0.12 2.33 -0.28 0.00 -0.41 0.00 0.00 54.97 56.73 1a8r s GLU 20 Cb 0.17 -2.43 -0.10 0.00 -1.78 0.00 0.00 34.13 29.99 1a8r s GLU 20 CO 0.75 -1.05 1.34 0.99 -0.49 0.00 0.00 175.26 176.80 1a8r s THR 21 N -1.25 2.57 -0.83 3.63 2.01 -1.26 -4.80 115.64 115.71 1a8r s THR 21 Ca 0.67 0.57 -0.20 0.00 0.31 0.00 0.00 61.69 63.03 1a8r s THR 21 Cb -0.42 -3.36 -0.19 0.00 0.01 0.00 0.00 72.50 68.54 1a8r s THR 21 CO 0.52 0.13 2.17 -2.65 -0.69 0.00 0.00 174.62 174.10 1a8r n PRO 22 N 0.63 0.29 -4.88 4.92 -0.02 -1.26 -4.88 135.00 129.81 1a8r n PRO 22 Ca 0.01 -0.79 -0.25 0.00 -2.02 0.00 0.00 63.50 60.44 1a8r n PRO 22 Cb 0.42 -2.97 -0.15 0.00 -0.02 0.00 0.00 33.50 30.77 1a8r n PRO 22 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1a8r s LEU 23 N 11.12 2.03 0.02 2.45 2.96 -1.26 -5.13 118.68 130.87 1a8r s LEU 23 Ca 0.90 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.36 1a8r s LEU 23 Cb -0.25 -0.94 -0.06 0.00 0.50 0.00 0.00 46.19 45.45 1a8r s LEU 23 CO 0.20 0.22 0.38 -0.13 -1.32 0.00 0.00 176.35 175.69 1a8r s ARG 24 N -0.41 3.80 0.65 1.98 0.52 -1.26 -5.07 118.95 119.16 1a8r s ARG 24 Ca 0.07 0.25 -0.17 0.00 -0.52 0.00 0.00 55.73 55.35 1a8r s ARG 24 Cb -0.07 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 1a8r s ARG 24 CO -0.01 0.64 1.13 -2.30 0.02 0.00 0.00 175.30 174.78 1a8r n PRO 25 N 1.41 0.90 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.27 1a8r n PRO 25 Ca -0.12 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 1a8r n PRO 25 Cb 0.53 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 1a8r n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a8r n PRO 26 N -1.68 0.37 -0.16 0.52 -0.02 -1.26 -4.77 135.00 127.99 1a8r n PRO 26 Ca 0.15 -0.41 -0.02 0.00 -2.02 0.00 0.00 63.50 61.20 1a8r n PRO 26 Cb 0.48 -2.56 0.19 0.00 -0.02 0.00 0.00 33.50 31.60 1a8r n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1a8r h VAL 27 N 7.47 1.22 -2.88 -1.45 2.07 -2.04 -3.43 116.25 117.21 1a8r h VAL 27 Ca -0.01 -0.72 -0.14 0.00 0.82 0.00 0.00 66.70 66.64 1a8r h VAL 27 Cb 1.10 0.53 -0.26 0.00 -1.52 0.00 0.00 31.29 31.14 1a8r h VAL 27 CO 1.27 0.28 -0.34 -1.00 0.02 0.00 0.00 177.57 177.80 1a8r s HIS 28 N -5.36 -0.41 -1.48 1.57 3.76 -1.26 -5.05 115.29 107.05 1a8r s HIS 28 Ca -0.10 0.97 -0.10 0.00 -0.15 0.00 0.00 55.06 55.67 1a8r s HIS 28 Cb 0.16 0.14 0.02 0.00 1.11 0.00 0.00 32.58 34.01 1a8r s HIS 28 CO 0.80 -0.22 2.49 0.39 -0.85 0.00 0.00 174.74 177.35 1a8r n GLU 29 N 3.41 3.59 -3.32 1.40 1.02 -1.26 -4.93 120.64 120.55 1a8r n GLU 29 Ca -0.17 -2.72 -0.38 0.00 -0.02 0.00 0.00 57.16 53.87 1a8r n GLU 29 Cb 0.56 -2.94 -0.06 0.00 -0.02 0.00 0.00 31.44 28.99 1a8r n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1a8r s MET 30 N 1.67 4.24 0.32 3.49 1.75 -1.26 -5.03 119.30 124.48 1a8r s MET 30 Ca 0.56 0.53 -0.29 0.00 -1.25 0.00 0.00 55.69 55.24 1a8r s MET 30 Cb 0.16 -3.36 -0.11 0.00 2.84 0.00 0.00 34.83 34.36 1a8r s MET 30 CO -0.07 0.35 1.58 0.34 -0.65 0.00 0.00 175.02 176.57 1a8r s ASP 31 N -0.03 6.34 0.51 1.11 -1.08 -1.26 -4.87 116.67 117.39 1a8r s ASP 31 Ca 0.27 3.00 0.37 0.00 -0.52 0.00 0.00 52.55 55.67 1a8r s ASP 31 Cb -0.16 -2.64 1.52 0.00 -1.46 0.00 0.00 42.92 40.18 1a8r s ASP 31 CO 0.13 -0.92 1.71 0.78 0.52 0.00 0.00 175.17 177.39 1a8r h ASN 32 N 4.39 0.10 -0.87 -0.34 4.21 -2.00 -2.30 115.58 118.76 1a8r h ASN 32 Ca -0.48 0.03 0.03 0.00 1.21 0.00 0.00 56.30 57.09 1a8r h ASN 32 Cb 1.23 0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 38.40 1a8r h ASN 32 CO 0.76 -0.02 0.56 -0.33 -1.29 0.00 0.00 177.43 177.11 1a8r h GLU 33 N 0.06 1.08 -0.00 0.81 5.08 -1.99 0.25 114.58 119.87 1a8r h GLU 33 Ca 0.70 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.83 1a8r h GLU 33 Cb 2.60 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 31.58 1a8r h GLU 33 CO -0.11 0.71 -0.77 1.15 -1.00 0.00 0.00 179.01 179.00 1a8r h THR 34 N 1.11 1.53 -0.29 1.13 2.02 -1.79 -0.86 112.91 115.76 1a8r h THR 34 Ca 0.34 -2.56 -0.04 0.00 0.77 0.00 0.00 66.41 64.92 1a8r h THR 34 Cb -0.03 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1a8r h THR 34 CO -0.10 0.74 0.02 0.03 0.37 0.00 0.00 175.52 176.57 1a8r h ARG 35 N 0.03 0.50 -0.73 6.66 3.08 -1.49 -1.16 114.38 121.27 1a8r h ARG 35 Ca -0.01 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.90 1a8r h ARG 35 Cb 1.35 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.31 1a8r h ARG 35 CO 0.10 0.63 0.48 0.87 -1.07 0.00 0.00 179.97 180.98 1a8r h LYS 36 N 0.30 0.93 -0.71 0.04 1.57 -0.73 0.00 116.57 117.98 1a8r h LYS 36 Ca 0.09 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1a8r h LYS 36 Cb 0.39 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1a8r h LYS 36 CO 0.01 0.62 0.21 0.66 -0.57 0.00 0.00 179.45 180.38 1a8r h SER 37 N 0.96 1.05 -0.12 0.86 4.64 -0.92 0.41 113.55 120.44 1a8r h SER 37 Ca 0.27 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1a8r h SER 37 Cb -0.08 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.73 1a8r h SER 37 CO -0.07 0.98 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.77 1a8r h LEU 38 N 1.06 0.22 -0.68 5.97 3.38 -0.81 -1.73 115.31 122.72 1a8r h LEU 38 Ca 0.23 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1a8r h LEU 38 Cb 0.32 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1a8r h LEU 38 CO -0.01 0.54 0.44 0.40 0.09 0.00 0.00 178.44 179.90 1a8r h ILE 39 N -0.10 1.18 -0.40 1.22 2.04 -0.91 -1.59 117.51 118.96 1a8r h ILE 39 Ca 0.03 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1a8r h ILE 39 Cb 0.44 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1a8r h ILE 39 CO 0.01 0.18 0.17 0.00 0.00 0.00 0.00 178.15 178.51 1a8r h ALA 40 N 1.24 0.48 -0.36 1.87 0.00 -0.86 -0.20 119.26 121.43 1a8r h ALA 40 Ca 0.25 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1a8r h ALA 40 Cb -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1a8r h ALA 40 CO -0.05 -0.21 0.18 0.78 0.00 0.00 0.00 179.25 179.95 1a8r h GLY 41 N 0.35 0.49 1.02 0.00 0.00 -0.78 0.17 103.07 104.32 1a8r h GLY 41 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1a8r h GLY 41 CO -0.15 0.09 0.51 0.45 0.00 0.00 0.00 176.54 177.44 1a8r h HIS 42 N 0.37 1.16 -0.68 5.60 -0.00 -0.87 -1.62 115.15 119.11 1a8r h HIS 42 Ca 0.15 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.46 1a8r h HIS 42 Cb 0.06 -0.38 -0.03 0.00 -0.00 0.00 0.00 27.41 27.07 1a8r h HIS 42 CO -0.10 0.78 0.21 0.52 -0.00 0.00 0.00 177.93 179.34 1a8r h MET 43 N 1.20 1.05 -0.68 2.45 2.86 -0.32 -0.79 114.93 120.70 1a8r h MET 43 Ca 0.31 -0.23 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 1a8r h MET 43 Cb -0.02 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.43 1a8r h MET 43 CO -0.06 0.92 0.36 1.15 1.06 0.00 0.00 176.91 180.34 1a8r h THR 44 N 0.99 0.92 0.03 2.22 2.02 -0.21 -0.22 112.91 118.65 1a8r h THR 44 Ca 0.22 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1a8r h THR 44 Cb 0.30 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1a8r h THR 44 CO -0.01 0.12 -0.01 -0.33 0.37 0.00 0.00 175.52 175.66 1a8r h GLU 45 N 0.64 -0.04 -0.18 6.66 4.39 -0.93 -1.10 114.58 124.03 1a8r h GLU 45 Ca 0.31 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.06 1a8r h GLU 45 Cb 0.26 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1a8r h GLU 45 CO -0.22 0.04 -0.09 0.82 -1.16 0.00 0.00 179.01 178.41 1a8r h ILE 46 N -0.11 0.72 -0.89 3.13 2.04 -0.45 0.58 117.51 122.53 1a8r h ILE 46 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1a8r h ILE 46 Cb 0.10 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 1a8r h ILE 46 CO 0.01 0.00 0.59 0.24 0.00 0.00 0.00 178.15 178.98 1a8r h MET 47 N -0.07 1.15 -0.67 2.37 2.86 -0.98 -0.66 114.93 118.94 1a8r h MET 47 Ca 0.10 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1a8r h MET 47 Cb 0.22 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1a8r h MET 47 CO -0.22 0.76 0.39 1.96 1.06 0.00 0.00 176.91 180.86 1a8r h GLN 48 N 1.18 0.91 0.00 1.72 4.20 -0.58 -0.74 115.11 121.80 1a8r h GLN 48 Ca 0.33 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1a8r h GLN 48 Cb -0.11 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.49 1a8r h GLN 48 CO -0.08 0.67 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.66 1a8r h LEU 49 N 0.91 0.00 -1.13 1.46 3.38 0.30 0.23 115.31 120.46 1a8r h LEU 49 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1a8r h LEU 49 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a8r h LEU 49 CO -0.04 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.68 1a8r n LEU 50 N -3.95 1.73 -1.63 1.67 4.77 -0.37 -4.93 117.00 114.28 1a8r n LEU 50 Ca -0.03 -0.66 -0.16 0.00 -0.03 0.00 0.00 56.01 55.14 1a8r n LEU 50 Cb 0.10 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1a8r n LEU 50 CO 0.29 0.33 -0.19 0.59 -1.33 0.00 0.00 177.39 177.08 1a8r n ASN 51 N 0.35 -4.74 -4.76 -1.43 3.02 0.82 -4.99 115.26 103.54 1a8r n ASN 51 Ca 0.17 0.09 -0.40 0.00 -0.03 0.00 0.00 54.58 54.42 1a8r n ASN 51 Cb 0.37 -3.80 -0.06 0.00 -0.61 0.00 0.00 39.78 35.68 1a8r n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a8r s LEU 52 N -4.25 4.56 -0.96 3.41 1.43 -0.42 -4.98 118.68 117.48 1a8r s LEU 52 Ca 0.00 1.68 -0.22 0.00 -1.03 0.00 0.00 54.13 54.56 1a8r s LEU 52 Cb 0.00 -3.37 0.07 0.00 0.03 0.00 0.00 46.19 42.92 1a8r s LEU 52 CO 0.00 0.12 1.32 -0.62 0.23 0.00 0.00 176.35 177.41 1a8r s ASP 53 N -0.77 6.50 0.00 2.29 2.15 -1.26 -4.53 116.67 121.05 1a8r s ASP 53 Ca 0.39 -1.53 0.04 0.00 0.43 0.00 0.00 52.55 51.88 1a8r s ASP 53 Cb -0.23 -2.51 0.23 0.00 -0.30 0.00 0.00 42.92 40.10 1a8r s ASP 53 CO 0.27 -1.40 0.83 0.18 -0.17 0.00 0.00 175.17 174.88 1a8r n LEU 54 N 8.19 0.00 0.16 -1.34 4.77 -1.26 -1.40 117.00 126.11 1a8r n LEU 54 Ca 0.26 0.13 0.05 0.00 -0.03 0.00 0.00 56.01 56.42 1a8r n LEU 54 Cb 0.50 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1a8r n LEU 54 CO 0.62 -0.12 0.55 0.00 -1.33 0.00 0.00 177.39 177.12 1a8r h ALA 55 N 2.23 0.76 -2.91 -1.18 0.00 -1.92 -3.23 119.26 113.00 1a8r h ALA 55 Ca 0.00 -0.36 -0.53 0.00 0.00 0.00 0.00 54.91 54.02 1a8r h ALA 55 Cb 0.02 -0.06 0.09 0.00 0.00 0.00 0.00 17.79 17.83 1a8r h ALA 55 CO 0.00 0.50 0.72 0.34 0.00 0.00 0.00 179.25 180.80 1a8r s ASP 56 N -6.40 6.54 0.28 0.00 2.15 -0.49 -4.80 116.67 113.95 1a8r s ASP 56 Ca 0.04 2.88 0.00 0.00 0.43 0.00 0.00 52.55 55.91 1a8r s ASP 56 Cb 0.07 -2.66 0.51 0.00 -0.30 0.00 0.00 42.92 40.54 1a8r s ASP 56 CO 0.72 -0.72 1.86 -2.24 -0.17 0.00 0.00 175.17 174.63 1a8r h ASP 57 N 3.21 0.96 0.44 -0.34 2.03 -1.90 0.79 116.42 121.61 1a8r h ASP 57 Ca -0.50 0.03 -0.08 0.00 -0.73 0.00 0.00 57.03 55.75 1a8r h ASP 57 Cb 1.23 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.55 1a8r h ASP 57 CO 0.65 0.56 -0.38 -1.28 -1.03 0.00 0.00 179.24 177.76 1a8r h SER 58 N 1.06 0.00 0.14 4.15 0.87 -1.95 -3.27 113.55 114.54 1a8r h SER 58 Ca 0.46 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.96 1a8r h SER 58 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1a8r h SER 58 CO -0.22 0.38 -1.92 0.18 -0.53 0.00 0.00 176.83 174.72 1a8r n LEU 59 N -3.99 0.13 -0.20 2.23 4.77 -0.71 -4.59 117.00 114.64 1a8r n LEU 59 Ca -0.02 0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1a8r n LEU 59 Cb 0.42 0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.65 1a8r n LEU 59 CO 0.38 0.06 0.75 -0.03 -1.33 0.00 0.00 177.39 177.22 1a8r h MET 60 N 0.00 0.01 -0.01 3.23 4.05 -0.89 -2.26 114.93 119.06 1a8r h MET 60 Ca -0.09 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1a8r h MET 60 Cb 1.21 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1a8r h MET 60 CO 0.01 0.01 -0.17 0.39 0.23 0.00 0.00 176.91 177.38 1a8r n GLU 61 N -5.40 0.98 -0.11 0.39 -0.58 -1.26 -4.47 120.64 110.19 1a8r n GLU 61 Ca 0.07 -0.52 -0.07 0.00 -0.42 0.00 0.00 57.16 56.22 1a8r n GLU 61 Cb 0.32 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1a8r n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1a8r h THR 62 N 1.28 0.32 -0.93 2.62 2.02 -1.65 -0.87 112.91 115.70 1a8r h THR 62 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1a8r h THR 62 Cb 0.46 0.32 -0.09 0.00 -1.74 0.00 0.00 68.15 67.10 1a8r h THR 62 CO 0.00 0.00 0.53 -0.65 0.37 0.00 0.00 175.52 175.77 1a8r h PRO 63 N -0.21 0.74 -0.41 6.66 0.11 -1.78 0.16 132.00 137.26 1a8r h PRO 63 Ca 0.18 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 1a8r h PRO 63 Cb 0.49 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1a8r h PRO 63 CO -0.49 0.49 -0.02 1.25 -0.21 0.00 0.00 178.00 179.01 1a8r h HIS 64 N 0.76 0.82 -0.36 0.65 -0.00 -1.64 -1.01 115.15 114.37 1a8r h HIS 64 Ca 0.50 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.71 1a8r h HIS 64 Cb 0.66 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.85 1a8r h HIS 64 CO -0.05 0.82 0.19 0.00 -0.00 0.00 0.00 177.93 178.90 1a8r h ARG 65 N 0.57 0.51 -0.46 5.26 3.08 0.33 -0.29 114.38 123.39 1a8r h ARG 65 Ca 0.11 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1a8r h ARG 65 Cb 0.51 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1a8r h ARG 65 CO 0.03 0.44 -0.04 0.82 -1.07 0.00 0.00 179.97 180.14 1a8r h ILE 66 N 0.45 1.25 -0.27 2.04 2.04 -0.72 0.15 117.51 122.45 1a8r h ILE 66 Ca 0.13 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 1a8r h ILE 66 Cb 0.08 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1a8r h ILE 66 CO -0.02 0.37 -0.03 0.00 0.00 0.00 0.00 178.15 178.47 1a8r h ALA 67 N 1.23 0.36 -0.87 1.87 0.00 -0.96 -1.95 119.26 118.96 1a8r h ALA 67 Ca 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1a8r h ALA 67 Cb 0.50 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1a8r h ALA 67 CO 0.03 0.13 0.46 -0.22 0.00 0.00 0.00 179.25 179.65 1a8r h LYS 68 N 0.26 1.22 -0.01 0.00 3.64 -0.76 -2.15 116.57 118.77 1a8r h LYS 68 Ca 0.07 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1a8r h LYS 68 Cb 0.47 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1a8r h LYS 68 CO 0.02 0.90 0.00 1.98 -2.27 0.00 0.00 179.45 180.09 1a8r h MET 69 N 1.21 0.01 0.06 1.90 4.05 -0.58 0.17 114.93 121.75 1a8r h MET 69 Ca 0.30 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.72 1a8r h MET 69 Cb 0.05 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1a8r h MET 69 CO -0.05 0.17 -0.03 1.88 0.23 0.00 0.00 176.91 179.11 1a8r h TYR 70 N -0.15 -0.07 0.41 1.39 0.05 -1.27 0.55 116.97 117.87 1a8r h TYR 70 Ca 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1a8r h TYR 70 Cb 0.16 0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1a8r h TYR 70 CO -0.02 0.10 -0.20 0.28 -1.05 0.00 0.00 178.16 177.27 1a8r h VAL 71 N -0.23 0.11 0.00 -2.88 2.07 -1.45 -3.33 116.25 110.54 1a8r h VAL 71 Ca -0.01 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1a8r h VAL 71 Cb 0.20 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1a8r h VAL 71 CO 0.01 0.03 -0.64 0.44 0.02 0.00 0.00 177.57 177.43 1a8r h ASP 72 N -1.12 0.00 0.00 0.57 3.32 -0.81 -3.41 116.42 114.97 1a8r h ASP 72 Ca -0.06 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1a8r h ASP 72 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1a8r h ASP 72 CO 0.09 0.06 0.00 -0.62 -1.72 0.00 0.00 179.24 177.05 1a8r n GLU 73 N -2.36 0.00 0.33 3.56 1.02 0.00 -4.66 120.64 118.53 1a8r n GLU 73 Ca 0.03 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 1a8r n GLU 73 Cb 0.48 0.00 0.63 0.00 -0.02 0.00 0.00 31.44 32.53 1a8r n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1a8r h ILE 74 N 0.00 0.00 -0.16 -3.67 3.07 -1.32 -0.25 117.51 115.19 1a8r h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1a8r h ILE 74 Cb 0.00 0.52 0.00 0.00 -0.27 0.00 0.00 36.82 37.07 1a8r h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1a8r n PHE 75 N -2.77 0.29 0.23 0.16 3.72 -1.25 -2.70 117.46 115.14 1a8r n PHE 75 Ca -0.02 -0.62 0.17 0.00 -0.05 0.00 0.00 57.45 56.94 1a8r n PHE 75 Cb 0.50 -0.09 0.75 0.00 -0.94 0.00 0.00 39.48 39.70 1a8r n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a8r h SER 76 N 0.95 0.00 0.68 4.37 4.64 -1.07 -0.07 113.55 123.05 1a8r h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a8r h SER 76 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1a8r h SER 76 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1a8r n GLY 77 N -1.34 -1.21 0.23 -0.77 0.00 0.08 -2.46 105.19 99.71 1a8r n GLY 77 Ca 0.02 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1a8r n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a8r h LEU 78 N 0.00 0.00 -8.42 0.99 3.38 -1.10 -3.42 115.31 106.73 1a8r h LEU 78 Ca 0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 1a8r h LEU 78 Cb 0.34 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.86 1a8r h LEU 78 CO 0.00 0.16 -0.47 -0.62 0.09 0.00 0.00 178.44 177.61 1a8r s ASP 79 N -6.10 5.93 0.00 -0.43 2.15 -1.03 -4.95 116.67 112.24 1a8r s ASP 79 Ca 0.02 -0.97 0.06 0.00 0.43 0.00 0.00 52.55 52.09 1a8r s ASP 79 Cb 0.09 -2.10 0.37 0.00 -0.30 0.00 0.00 42.92 40.98 1a8r s ASP 79 CO 0.63 -0.43 0.83 -1.22 -0.17 0.00 0.00 175.17 174.81 1a8r n TYR 80 N 5.08 0.00 0.31 -5.34 4.02 -1.26 -0.91 117.16 119.06 1a8r n TYR 80 Ca -0.11 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.92 1a8r n TYR 80 Cb 0.46 -0.00 0.47 0.00 -0.02 0.00 0.00 39.34 40.25 1a8r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a8r h ALA 81 N 2.38 1.00 -0.52 -0.72 0.00 -1.92 -2.72 119.26 116.76 1a8r h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a8r h ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a8r h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1a8r n ASN 82 N -2.90 3.38 -4.75 0.00 3.02 -0.09 -4.97 115.26 108.95 1a8r n ASN 82 Ca 0.02 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.18 1a8r n ASN 82 Cb 0.38 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 1a8r n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1a8r s PHE 83 N -1.31 2.86 0.51 3.10 5.36 -1.03 -4.93 117.98 122.54 1a8r s PHE 83 Ca 0.41 0.96 -0.23 0.00 -0.96 0.00 0.00 56.93 57.12 1a8r s PHE 83 Cb 0.23 -3.94 -0.06 0.00 -0.34 0.00 0.00 43.02 38.91 1a8r s PHE 83 CO 0.31 -3.04 1.38 -1.25 -1.46 0.00 0.00 175.22 171.16 1a8r s PRO 84 N -0.72 3.33 -0.22 10.12 0.04 -1.26 -4.93 135.00 141.35 1a8r s PRO 84 Ca 0.60 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.65 1a8r s PRO 84 Cb -0.45 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 1a8r s PRO 84 CO 0.48 -1.07 1.38 0.15 0.04 0.00 0.00 177.00 177.98 1a8r s LYS 85 N -2.75 4.01 -0.03 4.56 1.02 -1.26 -4.94 119.74 120.35 1a8r s LYS 85 Ca 0.68 1.53 -0.21 0.00 0.02 0.00 0.00 55.97 57.99 1a8r s LYS 85 Cb -0.42 -3.88 -0.05 0.00 -0.52 0.00 0.00 37.83 32.96 1a8r s LYS 85 CO 0.51 -1.00 0.63 0.42 -0.92 0.00 0.00 175.35 174.99 1a8r s ILE 86 N 4.23 4.95 -0.03 2.17 -1.09 -1.26 -4.95 121.20 125.22 1a8r s ILE 86 Ca 0.60 1.31 0.03 0.00 -2.23 0.00 0.00 60.65 60.36 1a8r s ILE 86 Cb -0.21 -3.97 -0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1a8r s ILE 86 CO 0.22 0.36 -0.12 0.42 -1.23 0.00 0.00 174.94 174.59 1a8r s THR 87 N 0.15 1.05 0.12 2.92 -4.23 -1.26 -5.09 115.64 109.30 1a8r s THR 87 Ca 0.33 -0.51 0.03 0.00 -1.18 0.00 0.00 61.69 60.36 1a8r s THR 87 Cb -0.18 -0.92 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 1a8r s THR 87 CO 0.17 0.31 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.72 1a8r s LEU 88 N 0.10 2.50 0.10 4.79 1.43 -1.26 -1.46 118.68 124.88 1a8r s LEU 88 Ca -0.03 -0.98 0.05 0.00 -1.03 0.00 0.00 54.13 52.14 1a8r s LEU 88 Cb -0.09 -0.25 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1a8r s LEU 88 CO 0.01 -0.36 -0.12 0.27 0.23 0.00 0.00 176.35 176.37 1a8r s ILE 89 N -3.27 1.10 0.28 -0.59 -4.36 0.41 -4.95 121.20 109.82 1a8r s ILE 89 Ca 0.13 -1.61 -0.30 0.00 -0.26 0.00 0.00 60.65 58.62 1a8r s ILE 89 Cb 0.03 -1.36 -0.11 0.00 1.25 0.00 0.00 42.46 42.27 1a8r s ILE 89 CO -0.01 -0.45 1.51 -0.70 0.24 0.00 0.00 174.94 175.53 1a8r s GLU 90 N -2.56 4.19 -1.45 0.37 2.12 -1.26 -0.26 118.70 119.85 1a8r s GLU 90 Ca 0.05 2.45 -0.11 0.00 0.36 0.00 0.00 54.97 57.73 1a8r s GLU 90 Cb -0.05 -3.06 -0.06 0.00 0.26 0.00 0.00 34.13 31.22 1a8r s GLU 90 CO 0.01 -0.52 2.63 -1.71 -0.54 0.00 0.00 175.26 175.13 1a8r n ASN 91 N 2.09 6.87 0.21 -1.70 5.15 0.06 -4.49 115.26 123.44 1a8r n ASN 91 Ca 0.07 -2.60 0.07 0.00 -0.60 0.00 0.00 54.58 51.52 1a8r n ASN 91 Cb 0.39 -1.49 0.44 0.00 -0.53 0.00 0.00 39.78 38.59 1a8r n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1a8r h LYS 92 N 5.55 0.00 0.00 1.20 1.57 -1.88 -1.85 116.57 121.16 1a8r h LYS 92 Ca 0.73 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.51 1a8r h LYS 92 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1a8r h LYS 92 CO 1.77 0.31 0.00 -1.33 -0.57 0.00 0.00 179.45 179.63 1a8r n MET 93 N -3.68 0.09 -3.73 3.15 2.81 -1.26 -4.86 117.12 109.63 1a8r n MET 93 Ca -0.01 0.39 -0.25 0.00 -1.81 0.00 0.00 57.70 56.02 1a8r n MET 93 Cb 0.42 -1.70 0.05 0.00 -0.71 0.00 0.00 33.22 31.27 1a8r n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a8r n LYS 94 N -1.88 -6.07 -2.48 0.03 5.02 -0.69 -4.92 118.16 107.16 1a8r n LYS 94 Ca 0.02 0.69 -0.43 0.00 -2.02 0.00 0.00 58.31 56.57 1a8r n LYS 94 Cb 0.16 -5.54 -0.02 0.00 -0.02 0.00 0.00 35.03 29.60 1a8r n LYS 94 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a8r s VAL 95 N -3.41 4.35 -0.27 -0.18 1.01 -1.26 -4.90 120.40 115.74 1a8r s VAL 95 Ca 0.40 1.65 0.15 0.00 0.00 0.00 0.00 61.98 64.17 1a8r s VAL 95 Cb -0.19 -4.06 0.48 0.00 0.00 0.00 0.00 36.38 32.61 1a8r s VAL 95 CO 0.79 -0.09 1.15 -0.90 0.00 0.00 0.00 175.10 176.05 1a8r n ASP 96 N 6.02 3.27 -4.06 3.32 5.75 -1.26 -4.17 116.55 125.42 1a8r n ASP 96 Ca 0.12 -2.92 -0.15 0.00 -0.01 0.00 0.00 54.79 51.83 1a8r n ASP 96 Cb 0.46 -0.41 -0.13 0.00 -1.03 0.00 0.00 41.12 40.01 1a8r n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1a8r s GLU 97 N -3.65 0.59 0.50 0.11 0.41 -1.26 -4.98 118.70 110.42 1a8r s GLU 97 Ca 0.39 -0.62 -0.22 0.00 -0.41 0.00 0.00 54.97 54.11 1a8r s GLU 97 Cb 0.37 -0.47 -0.06 0.00 -1.78 0.00 0.00 34.13 32.18 1a8r s GLU 97 CO -0.00 0.11 1.26 0.00 -0.49 0.00 0.00 175.26 176.14 1a8r s MET 98 N -1.12 3.46 -0.16 1.61 0.23 -1.26 -4.31 119.30 117.75 1a8r s MET 98 Ca -0.04 2.01 -0.02 0.00 -1.03 0.00 0.00 55.69 56.60 1a8r s MET 98 Cb -0.08 -2.34 -0.02 0.00 -1.53 0.00 0.00 34.83 30.87 1a8r s MET 98 CO 0.00 -0.86 -0.08 0.08 -2.03 0.00 0.00 175.02 172.13 1a8r s VAL 99 N -1.42 3.38 -0.08 5.16 1.01 0.47 -4.92 120.40 124.00 1a8r s VAL 99 Ca 0.67 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1a8r s VAL 99 Cb -0.35 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1a8r s VAL 99 CO 0.41 0.49 -0.17 -0.89 0.00 0.00 0.00 175.10 174.94 1a8r s THR 100 N 0.68 2.73 -0.20 3.92 2.01 -1.26 -1.95 115.64 121.56 1a8r s THR 100 Ca -0.04 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.14 1a8r s THR 100 Cb -0.15 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1a8r s THR 100 CO 0.02 0.56 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.68 1a8r s VAL 101 N -0.18 2.37 0.27 3.82 1.01 0.70 -4.99 120.40 123.39 1a8r s VAL 101 Ca -0.01 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1a8r s VAL 101 Cb -0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1a8r s VAL 101 CO 0.03 0.42 0.04 0.00 0.00 0.00 0.00 175.10 175.59 1a8r s ARG 102 N 1.30 2.39 -1.35 2.72 1.70 -1.26 -1.06 118.95 123.40 1a8r s ARG 102 Ca 0.03 -1.38 -0.04 0.00 -0.47 0.00 0.00 55.73 53.87 1a8r s ARG 102 Cb -0.14 -2.22 0.02 0.00 -0.57 0.00 0.00 34.95 32.04 1a8r s ARG 102 CO -0.10 0.35 0.85 -0.25 -1.08 0.00 0.00 175.30 175.07 1a8r n ASP 103 N -0.96 -2.59 -4.70 -2.89 8.00 -1.09 -4.95 116.55 107.37 1a8r n ASP 103 Ca -0.06 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.26 1a8r n ASP 103 Cb 0.59 -4.26 -0.03 0.00 -0.02 0.00 0.00 41.12 37.40 1a8r n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a8r s ILE 104 N -3.51 4.58 0.20 0.53 1.01 0.09 -4.84 121.20 119.25 1a8r s ILE 104 Ca 0.21 1.86 -0.31 0.00 0.00 0.00 0.00 60.65 62.40 1a8r s ILE 104 Cb -0.10 -4.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.07 1a8r s ILE 104 CO 0.80 0.07 1.62 -0.89 0.00 0.00 0.00 174.94 176.53 1a8r s THR 105 N 1.60 2.36 -0.11 2.92 2.01 -1.26 -1.42 115.64 121.74 1a8r s THR 105 Ca 0.53 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.78 1a8r s THR 105 Cb -0.22 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.15 1a8r s THR 105 CO 0.24 0.02 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.96 1a8r s LEU 106 N 0.90 0.94 -0.22 4.42 0.20 -0.13 -4.77 118.68 120.02 1a8r s LEU 106 Ca 0.70 -0.34 0.01 0.00 0.69 0.00 0.00 54.13 55.19 1a8r s LEU 106 Cb -0.46 -0.61 0.03 0.00 -0.43 0.00 0.00 46.19 44.72 1a8r s LEU 106 CO 0.34 -0.20 -0.14 0.42 -0.29 0.00 0.00 176.35 176.48 1a8r s THR 107 N 1.86 2.34 0.29 3.68 -4.23 -1.26 -0.44 115.64 117.89 1a8r s THR 107 Ca 0.03 -1.10 0.07 0.00 -1.18 0.00 0.00 61.69 59.51 1a8r s THR 107 Cb -0.14 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.55 1a8r s THR 107 CO -0.07 0.32 0.24 -0.24 -0.54 0.00 0.00 174.62 174.33 1a8r n SER 108 N 4.60 -0.53 -3.89 3.99 2.88 -0.65 -4.13 113.62 115.89 1a8r n SER 108 Ca -0.18 -2.90 -0.22 0.00 -1.33 0.00 0.00 58.87 54.24 1a8r n SER 108 Cb 0.47 1.43 -0.17 0.00 -0.75 0.00 0.00 64.21 65.19 1a8r n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1a8r s THR 109 N -3.16 0.63 0.28 2.46 2.01 -1.24 -0.24 115.64 116.38 1a8r s THR 109 Ca 0.34 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.90 1a8r s THR 109 Cb 0.02 -0.66 -0.10 0.00 0.01 0.00 0.00 72.50 71.77 1a8r s THR 109 CO 0.24 0.26 1.21 0.00 -0.69 0.00 0.00 174.62 175.64 1a8r n GLU 111 N 1.38 0.08 0.07 0.00 0.28 -0.20 -0.68 120.64 121.57 1a8r n GLU 111 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.87 1a8r n GLU 111 Cb 0.43 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.75 1a8r n GLU 111 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1a8r h SER 112 N 0.00 0.55 0.00 -1.84 4.64 -1.91 -3.38 113.55 111.61 1a8r h SER 112 Ca 0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1a8r h SER 112 Cb 0.46 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1a8r h SER 112 CO 0.00 1.26 0.00 1.41 -0.87 0.00 0.00 176.83 178.63 1a8r n HIS 113 N -3.73 0.00 -3.81 4.77 8.25 -1.24 -5.02 115.22 114.44 1a8r n HIS 113 Ca -0.07 -0.14 -0.26 0.00 -0.26 0.00 0.00 57.72 56.99 1a8r n HIS 113 Cb 0.86 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.98 1a8r n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1a8r n PHE 114 N -0.14 -2.10 -4.35 4.41 3.01 0.14 -4.99 117.46 113.43 1a8r n PHE 114 Ca 0.00 0.87 -0.24 0.00 1.01 0.00 0.00 57.45 59.09 1a8r n PHE 114 Cb 0.27 -4.19 -0.09 0.00 -0.01 0.00 0.00 39.48 35.46 1a8r n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1a8r s VAL 115 N -3.50 3.04 0.24 -4.37 1.01 -1.22 -4.88 120.40 110.73 1a8r s VAL 115 Ca 0.32 -2.01 -0.31 0.00 0.00 0.00 0.00 61.98 59.98 1a8r s VAL 115 Cb -0.16 -2.58 -0.13 0.00 0.00 0.00 0.00 36.38 33.51 1a8r s VAL 115 CO 0.82 -0.31 1.45 0.41 0.00 0.00 0.00 175.10 177.47 1a8r n THR 116 N -0.53 0.91 -4.08 3.92 -1.04 -1.26 -0.33 114.28 111.86 1a8r n THR 116 Ca -0.07 -0.23 -0.32 0.00 -2.04 0.00 0.00 64.05 61.39 1a8r n THR 116 Cb 0.58 -1.56 -0.16 0.00 -1.82 0.00 0.00 70.33 67.37 1a8r n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1a8r s ILE 117 N 0.01 1.83 -0.25 12.58 1.01 0.67 -1.34 121.20 135.71 1a8r s ILE 117 Ca 0.68 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 1a8r s ILE 117 Cb -0.62 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1a8r s ILE 117 CO 0.49 0.50 -0.03 -0.62 0.00 0.00 0.00 174.94 175.28 1a8r s ASP 118 N 1.37 4.45 0.26 3.58 2.15 -0.20 -1.63 116.67 126.66 1a8r s ASP 118 Ca 0.05 -0.73 -0.02 0.00 0.43 0.00 0.00 52.55 52.28 1a8r s ASP 118 Cb -0.13 -1.72 0.01 0.00 -0.30 0.00 0.00 42.92 40.78 1a8r s ASP 118 CO -0.12 -0.11 0.37 0.61 -0.17 0.00 0.00 175.17 175.75 1a8r n GLY 119 N 4.74 2.35 2.84 2.66 0.00 0.42 -0.25 105.19 117.94 1a8r n GLY 119 Ca -0.17 -1.55 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 1a8r n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a8r s LYS 120 N -2.59 0.34 0.05 1.61 1.02 0.39 -0.95 119.74 119.61 1a8r s LYS 120 Ca 0.22 0.04 0.03 0.00 0.02 0.00 0.00 55.97 56.27 1a8r s LYS 120 Cb -0.01 -0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 36.78 1a8r s LYS 120 CO 0.16 -0.10 0.03 0.00 -0.92 0.00 0.00 175.35 174.52 1a8r s ALA 121 N 0.87 3.41 -0.12 5.17 0.00 -0.51 -1.33 121.76 129.25 1a8r s ALA 121 Ca -0.09 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 1a8r s ALA 121 Cb -0.12 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.67 1a8r s ALA 121 CO -0.01 0.70 -0.08 0.99 0.00 0.00 0.00 175.76 177.36 1a8r s THR 122 N -1.26 1.08 -0.08 0.00 2.01 0.16 -0.73 115.64 116.81 1a8r s THR 122 Ca 0.25 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.95 1a8r s THR 122 Cb -0.12 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 1a8r s THR 122 CO 0.17 0.36 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.52 1a8r s VAL 123 N 1.68 2.01 0.06 3.82 1.01 -0.22 -0.92 120.40 127.85 1a8r s VAL 123 Ca 0.05 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1a8r s VAL 123 Cb -0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1a8r s VAL 123 CO -0.08 0.55 -0.13 0.00 0.00 0.00 0.00 175.10 175.44 1a8r s ALA 124 N 0.09 1.04 0.04 5.51 0.00 -0.70 -0.22 121.76 127.51 1a8r s ALA 124 Ca -0.11 -0.94 -0.25 0.00 0.00 0.00 0.00 51.96 50.67 1a8r s ALA 124 Cb -0.16 -0.07 0.06 0.00 0.00 0.00 0.00 23.12 22.95 1a8r s ALA 124 CO 0.06 0.13 0.57 1.52 0.00 0.00 0.00 175.76 178.04 1a8r s TYR 125 N -1.28 -0.50 -0.31 0.00 1.13 -0.83 -0.61 117.35 114.95 1a8r s TYR 125 Ca -0.04 0.62 -0.10 0.00 -1.41 0.00 0.00 57.07 56.15 1a8r s TYR 125 Cb -0.10 0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 41.15 1a8r s TYR 125 CO 0.02 -0.66 0.15 0.42 -2.51 0.00 0.00 175.55 172.97 1a8r s ILE 126 N -2.30 4.57 0.23 -3.49 1.01 -0.76 -0.40 121.20 120.07 1a8r s ILE 126 Ca -0.06 -0.45 -0.31 0.00 0.00 0.00 0.00 60.65 59.83 1a8r s ILE 126 Cb -0.01 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 39.01 1a8r s ILE 126 CO -0.00 0.05 1.63 -2.84 0.00 0.00 0.00 174.94 173.78 1a8r s PRO 127 N 1.61 4.15 0.00 2.79 0.02 -1.26 -4.86 135.00 137.45 1a8r s PRO 127 Ca 0.04 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1a8r s PRO 127 Cb -0.17 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1a8r s PRO 127 CO 0.06 -0.66 0.00 1.17 -0.33 0.00 0.00 177.00 177.24 1a8r n LYS 128 N 3.32 0.00 0.06 5.54 4.81 -1.26 -4.52 118.16 126.10 1a8r n LYS 128 Ca 0.12 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.60 1a8r n LYS 128 Cb 0.37 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.36 1a8r n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1a8r n ASP 129 N 0.00 0.86 -4.19 3.14 8.00 -1.26 -4.76 116.55 118.33 1a8r n ASP 129 Ca 0.00 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.73 1a8r n ASP 129 Cb 0.00 0.26 -0.10 0.00 -0.02 0.00 0.00 41.12 41.26 1a8r n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a8r s SER 130 N -5.64 1.43 -0.14 -2.24 1.04 -1.26 -0.76 113.70 106.13 1a8r s SER 130 Ca -0.02 -0.91 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 1a8r s SER 130 Cb 0.09 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 1a8r s SER 130 CO 0.80 -0.34 -0.11 -0.69 0.98 0.00 0.00 173.24 173.89 1a8r s VAL 131 N -2.96 3.18 0.31 5.02 1.01 0.64 -4.77 120.40 122.84 1a8r s VAL 131 Ca 0.10 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 1a8r s VAL 131 Cb 0.01 -2.36 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 1a8r s VAL 131 CO -0.01 0.51 0.69 -0.51 0.00 0.00 0.00 175.10 175.78 1a8r s ILE 132 N 0.46 4.77 0.17 2.22 2.07 -1.26 -0.44 121.20 129.18 1a8r s ILE 132 Ca -0.08 0.76 -0.31 0.00 -1.41 0.00 0.00 60.65 59.60 1a8r s ILE 132 Cb -0.15 -3.63 -0.10 0.00 0.13 0.00 0.00 42.46 38.70 1a8r s ILE 132 CO 0.04 -0.22 1.54 -0.83 -1.91 0.00 0.00 174.94 173.57 1a8r s GLY 133 N -2.46 1.66 0.22 1.50 0.00 -0.53 -4.90 107.32 102.80 1a8r s GLY 133 Ca 0.52 1.34 -0.10 0.00 0.00 0.00 0.00 44.72 46.49 1a8r s GLY 133 CO 0.21 2.58 1.67 1.41 0.00 0.00 0.00 173.10 178.96 1a8r h LEU 134 N 6.66 -0.20 -2.16 0.66 3.38 -1.95 -1.69 115.31 120.01 1a8r h LEU 134 Ca -0.43 0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1a8r h LEU 134 Cb 1.21 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1a8r h LEU 134 CO 0.90 -0.09 0.01 0.77 0.09 0.00 0.00 178.44 180.12 1a8r h SER 135 N 0.15 0.00 -0.43 -0.43 4.64 -2.00 -1.68 113.55 113.81 1a8r h SER 135 Ca 0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1a8r h SER 135 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1a8r h SER 135 CO -0.52 0.00 0.27 0.11 -0.87 0.00 0.00 176.83 175.82 1a8r h LYS 136 N 0.00 0.59 -0.52 4.77 1.79 -1.67 0.07 116.57 121.60 1a8r h LYS 136 Ca 0.01 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1a8r h LYS 136 Cb 0.04 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1a8r h LYS 136 CO -0.00 0.41 0.23 0.82 -1.08 0.00 0.00 179.45 179.83 1a8r h ILE 137 N 0.60 1.20 -0.43 1.86 2.04 -1.37 -0.02 117.51 121.40 1a8r h ILE 137 Ca 0.16 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1a8r h ILE 137 Cb -0.03 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1a8r h ILE 137 CO -0.03 0.23 0.09 0.78 0.00 0.00 0.00 178.15 179.23 1a8r h ASN 138 N 0.69 0.66 -0.64 1.72 2.35 -1.30 -1.76 115.58 117.29 1a8r h ASN 138 Ca 0.17 -0.24 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1a8r h ASN 138 Cb 0.15 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1a8r h ASN 138 CO -0.02 0.73 0.14 0.03 -1.65 0.00 0.00 177.43 176.66 1a8r h ARG 139 N 0.56 1.04 -0.17 0.81 3.08 -0.81 -1.41 114.38 117.48 1a8r h ARG 139 Ca 0.13 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1a8r h ARG 139 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1a8r h ARG 139 CO 0.00 0.95 0.04 0.82 -1.07 0.00 0.00 179.97 180.71 1a8r h ILE 140 N 0.96 1.21 -0.37 2.04 2.04 -0.87 0.25 117.51 122.77 1a8r h ILE 140 Ca 0.20 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.46 1a8r h ILE 140 Cb 0.39 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1a8r h ILE 140 CO 0.01 0.20 -0.00 0.58 0.00 0.00 0.00 178.15 178.94 1a8r h VAL 141 N 0.09 0.72 0.00 1.67 2.07 -1.20 -1.26 116.25 118.34 1a8r h VAL 141 Ca 0.05 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 1a8r h VAL 141 Cb 0.28 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1a8r h VAL 141 CO 0.00 0.02 -0.30 1.56 0.02 0.00 0.00 177.57 178.87 1a8r h GLN 142 N 0.10 0.00 0.66 1.57 1.08 -1.03 -1.87 115.11 115.62 1a8r h GLN 142 Ca 0.18 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 1a8r h GLN 142 Cb 0.25 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1a8r h GLN 142 CO -0.30 0.30 -0.32 0.35 -0.95 0.00 0.00 178.83 177.91 1a8r h PHE 143 N 0.00 -0.82 0.00 2.96 3.57 0.68 -1.68 116.94 121.65 1a8r h PHE 143 Ca -0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1a8r h PHE 143 Cb 0.60 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1a8r h PHE 143 CO 0.00 -0.47 -0.16 0.74 -2.23 0.00 0.00 178.31 176.19 1a8r h PHE 144 N -1.02 0.00 -0.03 0.41 0.04 -1.37 -2.90 116.94 112.08 1a8r h PHE 144 Ca -0.09 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.51 1a8r h PHE 144 Cb 0.71 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1a8r h PHE 144 CO -0.01 0.16 -0.75 0.00 -0.60 0.00 0.00 178.31 177.11 1a8r h ALA 145 N 1.84 0.68 0.00 2.45 0.00 -1.11 -3.35 119.26 119.77 1a8r h ALA 145 Ca -0.00 -0.64 -0.68 0.00 0.00 0.00 0.00 54.91 53.58 1a8r h ALA 145 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1a8r h ALA 145 CO 0.02 0.84 2.93 1.04 0.00 0.00 0.00 179.25 184.07 1a8r n GLN 146 N -3.75 2.49 -3.59 0.00 1.13 -0.65 -4.18 117.38 108.83 1a8r n GLN 146 Ca -0.03 -2.34 -0.08 0.00 -1.94 0.00 0.00 57.00 52.61 1a8r n GLN 146 Cb 0.72 -3.14 -0.02 0.00 0.11 0.00 0.00 30.24 27.91 1a8r n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1a8r s ARG 147 N 3.66 1.19 0.03 -1.09 0.52 -1.10 -0.74 118.95 121.43 1a8r s ARG 147 Ca 0.51 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.88 1a8r s ARG 147 Cb 0.14 0.48 -0.05 0.00 0.52 0.00 0.00 34.95 36.04 1a8r s ARG 147 CO -0.03 -0.53 1.28 -2.14 0.02 0.00 0.00 175.30 173.90 1a8r s PRO 148 N -3.47 4.36 0.29 3.54 0.02 -1.26 -3.69 135.00 134.80 1a8r s PRO 148 Ca 0.06 1.85 0.03 0.00 0.02 0.00 0.00 61.00 62.96 1a8r s PRO 148 Cb -0.02 -3.43 -0.06 0.00 0.02 0.00 0.00 34.50 31.01 1a8r s PRO 148 CO -0.05 -0.41 0.08 -0.65 -0.33 0.00 0.00 177.00 175.64 1a8r s GLN 149 N 1.64 1.54 -0.15 5.54 -1.52 0.13 -4.71 119.66 122.14 1a8r s GLN 149 Ca 0.60 -1.85 -0.01 0.00 -1.95 0.00 0.00 55.36 52.16 1a8r s GLN 149 Cb -0.30 -0.56 0.04 0.00 -0.22 0.00 0.00 33.01 31.96 1a8r s GLN 149 CO 0.27 -0.25 -0.05 0.08 -0.25 0.00 0.00 175.29 175.10 1a8r s VAL 150 N -3.52 0.98 0.23 1.09 1.01 -1.26 -1.03 120.40 117.90 1a8r s VAL 150 Ca 0.37 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1a8r s VAL 150 Cb 0.08 -1.15 0.22 0.00 0.00 0.00 0.00 36.38 35.54 1a8r s VAL 150 CO 0.15 0.17 1.67 -0.61 0.00 0.00 0.00 175.10 176.47 1a8r h GLN 151 N 8.16 0.18 -0.80 2.72 4.15 -1.99 0.77 115.11 128.30 1a8r h GLN 151 Ca -0.24 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.28 1a8r h GLN 151 Cb 1.12 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.71 1a8r h GLN 151 CO 0.38 0.12 0.52 0.93 -1.93 0.00 0.00 178.83 178.85 1a8r h GLU 152 N 0.18 0.63 0.02 1.69 3.07 -1.98 -1.79 114.58 116.40 1a8r h GLU 152 Ca 0.38 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 59.12 1a8r h GLU 152 Cb 0.63 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1a8r h GLU 152 CO -0.54 0.42 -0.34 -0.09 -1.40 0.00 0.00 179.01 177.06 1a8r h ARG 153 N 0.65 0.19 -0.58 2.33 2.43 -1.37 -3.18 114.38 114.85 1a8r h ARG 153 Ca 0.38 -0.24 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 1a8r h ARG 153 Cb 0.59 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.11 1a8r h ARG 153 CO -0.15 1.00 -0.02 1.25 -1.51 0.00 0.00 179.97 180.55 1a8r h LEU 154 N -0.51 -0.29 -0.30 3.80 5.85 -0.50 -0.54 115.31 122.82 1a8r h LEU 154 Ca -0.05 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1a8r h LEU 154 Cb 1.14 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1a8r h LEU 154 CO 0.07 -0.11 0.12 0.74 -0.34 0.00 0.00 178.44 178.92 1a8r h THR 155 N 0.10 0.94 -0.40 1.05 2.02 -1.43 -1.92 112.91 113.28 1a8r h THR 155 Ca 0.30 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.43 1a8r h THR 155 Cb 0.47 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1a8r h THR 155 CO -0.50 0.05 0.14 1.56 0.37 0.00 0.00 175.52 177.14 1a8r h GLN 156 N 0.26 0.29 -0.41 6.66 1.08 -1.30 -1.56 115.11 120.14 1a8r h GLN 156 Ca 0.13 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1a8r h GLN 156 Cb 0.08 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1a8r h GLN 156 CO -0.12 0.19 0.26 1.96 -0.95 0.00 0.00 178.83 180.18 1a8r h GLN 157 N 0.30 0.52 -0.69 1.46 4.20 -0.78 -1.82 115.11 118.29 1a8r h GLN 157 Ca 0.18 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 1a8r h GLN 157 Cb 0.16 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1a8r h GLN 157 CO -0.18 0.34 0.26 0.82 -0.67 0.00 0.00 178.83 179.40 1a8r h ILE 158 N 0.53 1.25 0.45 2.54 2.04 -1.06 -0.07 117.51 123.19 1a8r h ILE 158 Ca 0.16 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1a8r h ILE 158 Cb -0.03 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1a8r h ILE 158 CO -0.05 0.32 -0.24 0.25 0.00 0.00 0.00 178.15 178.43 1a8r h LEU 159 N 0.99 -0.58 -0.60 1.44 5.85 -1.02 -1.11 115.31 120.28 1a8r h LEU 159 Ca 0.23 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1a8r h LEU 159 Cb 0.23 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1a8r h LEU 159 CO -0.02 -0.39 0.34 0.40 -0.34 0.00 0.00 178.44 178.43 1a8r h ILE 160 N -0.64 1.19 -0.17 4.05 1.08 -1.26 -1.01 117.51 120.75 1a8r h ILE 160 Ca -0.06 -0.46 0.04 0.00 -0.39 0.00 0.00 64.86 64.00 1a8r h ILE 160 Cb 0.51 0.40 -0.05 0.00 -3.07 0.00 0.00 36.82 34.61 1a8r h ILE 160 CO 0.08 0.20 -0.11 0.00 -0.69 0.00 0.00 178.15 177.63 1a8r h ALA 161 N 1.16 0.02 -0.50 1.87 0.00 -0.88 -0.41 119.26 120.52 1a8r h ALA 161 Ca 0.21 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1a8r h ALA 161 Cb 0.02 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1a8r h ALA 161 CO -0.04 -0.55 -0.01 -0.07 0.00 0.00 0.00 179.25 178.58 1a8r h LEU 162 N -0.11 0.87 -0.49 0.00 3.38 -1.02 -1.35 115.31 116.59 1a8r h LEU 162 Ca 0.10 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1a8r h LEU 162 Cb 0.26 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1a8r h LEU 162 CO -0.24 0.97 0.26 1.56 0.09 0.00 0.00 178.44 181.08 1a8r h GLN 163 N 0.75 0.50 0.30 1.13 4.20 -0.88 0.25 115.11 121.35 1a8r h GLN 163 Ca 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1a8r h GLN 163 Cb 0.53 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1a8r h GLN 163 CO 0.03 0.33 -0.33 1.15 -0.67 0.00 0.00 178.83 179.33 1a8r h THR 164 N 0.51 0.31 -0.41 -0.54 2.02 -0.85 0.30 112.91 114.24 1a8r h THR 164 Ca 0.21 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1a8r h THR 164 Cb 0.09 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1a8r h THR 164 CO -0.13 0.00 0.16 -0.07 0.37 0.00 0.00 175.52 175.85 1a8r h LEU 165 N -0.67 0.53 0.00 2.58 3.38 -0.80 -2.83 115.31 117.49 1a8r h LEU 165 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1a8r h LEU 165 Cb 0.62 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1a8r h LEU 165 CO -0.08 0.49 -0.75 -0.07 0.09 0.00 0.00 178.44 178.11 1a8r h LEU 166 N 0.58 0.00 -1.24 1.67 3.38 -0.30 -3.48 115.31 115.92 1a8r h LEU 166 Ca 0.14 -0.23 -0.26 0.00 0.09 0.00 0.00 57.88 57.62 1a8r h LEU 166 Cb 0.13 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.99 1a8r h LEU 166 CO -0.01 0.11 -0.51 0.61 0.09 0.00 0.00 178.44 178.73 1a8r n GLY 167 N 1.33 -0.12 3.57 0.83 0.00 0.10 -4.73 105.19 106.17 1a8r n GLY 167 Ca 0.03 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1a8r n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8r s THR 168 N -3.24 0.00 -1.23 2.61 2.01 -1.06 -4.89 115.64 109.84 1a8r s THR 168 Ca 0.25 -0.01 0.26 0.00 0.31 0.00 0.00 61.69 62.51 1a8r s THR 168 Cb -0.11 -0.99 0.15 0.00 0.01 0.00 0.00 72.50 71.57 1a8r s THR 168 CO 0.52 -0.00 1.58 0.59 -0.69 0.00 0.00 174.62 176.62 1a8r n ASN 169 N 1.83 0.52 -4.04 3.53 3.02 -1.26 -4.37 115.26 114.48 1a8r n ASN 169 Ca -0.16 -0.30 -0.41 0.00 -0.03 0.00 0.00 54.58 53.67 1a8r n ASN 169 Cb 0.56 0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.79 1a8r n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a8r n ASN 170 N -1.27 3.97 -4.02 6.41 3.02 -1.26 -0.59 115.26 121.51 1a8r n ASN 170 Ca 0.08 -2.83 -0.10 0.00 -0.03 0.00 0.00 54.58 51.69 1a8r n ASN 170 Cb 0.33 -1.62 -0.11 0.00 -0.61 0.00 0.00 39.78 37.77 1a8r n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a8r s VAL 171 N 4.34 0.30 -0.03 2.41 1.01 -1.24 -1.82 120.40 125.36 1a8r s VAL 171 Ca 0.52 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1a8r s VAL 171 Cb 0.10 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.98 1a8r s VAL 171 CO 0.01 -0.49 0.10 0.00 0.00 0.00 0.00 175.10 174.71 1a8r s ALA 172 N -1.63 -0.24 -0.03 5.51 0.00 0.22 -0.02 121.76 125.57 1a8r s ALA 172 Ca -0.12 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1a8r s ALA 172 Cb -0.09 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1a8r s ALA 172 CO -0.01 -0.07 -0.05 0.08 0.00 0.00 0.00 175.76 175.71 1a8r s VAL 173 N -0.18 0.51 -0.01 0.00 1.01 0.20 -1.72 120.40 120.21 1a8r s VAL 173 Ca -0.02 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1a8r s VAL 173 Cb -0.02 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 1a8r s VAL 173 CO 0.00 0.19 -0.09 -0.55 0.00 0.00 0.00 175.10 174.65 1a8r s SER 174 N 0.44 1.09 -0.02 3.32 0.15 -0.10 -0.26 113.70 118.31 1a8r s SER 174 Ca -0.06 -0.17 0.03 0.00 0.70 0.00 0.00 55.95 56.45 1a8r s SER 174 Cb -0.09 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1a8r s SER 174 CO -0.00 0.10 -0.09 -0.63 1.20 0.00 0.00 173.24 173.82 1a8r s ILE 175 N -0.13 0.80 -0.11 6.45 1.01 0.81 -0.67 121.20 129.37 1a8r s ILE 175 Ca 0.02 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1a8r s ILE 175 Cb -0.05 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1a8r s ILE 175 CO -0.00 0.25 -0.18 -0.62 0.00 0.00 0.00 174.94 174.38 1a8r s ASP 176 N 0.15 2.66 0.07 3.58 2.15 -0.44 -0.69 116.67 124.16 1a8r s ASP 176 Ca -0.03 -0.48 -0.15 0.00 0.43 0.00 0.00 52.55 52.32 1a8r s ASP 176 Cb -0.08 -1.21 0.03 0.00 -0.30 0.00 0.00 42.92 41.35 1a8r s ASP 176 CO 0.00 0.07 0.34 0.00 -0.17 0.00 0.00 175.17 175.41 1a8r s ALA 177 N 0.75 -0.77 -0.18 3.66 0.00 0.13 -0.46 121.76 124.88 1a8r s ALA 177 Ca -0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 1a8r s ALA 177 Cb -0.16 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1a8r s ALA 177 CO 0.02 -0.50 0.03 0.08 0.00 0.00 0.00 175.76 175.39 1a8r s VAL 178 N -3.04 4.46 -0.34 0.00 1.01 0.66 -0.97 120.40 122.18 1a8r s VAL 178 Ca -0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1a8r s VAL 178 Cb 0.01 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1a8r s VAL 178 CO -0.06 0.45 0.22 -1.00 0.00 0.00 0.00 175.10 174.70 1a8r s HIS 179 N 0.54 3.22 -0.43 5.22 3.76 -1.26 -1.03 115.29 125.31 1a8r s HIS 179 Ca 0.01 -0.42 0.23 0.00 -0.15 0.00 0.00 55.06 54.74 1a8r s HIS 179 Cb -0.13 -2.45 1.01 0.00 1.11 0.00 0.00 32.58 32.12 1a8r s HIS 179 CO 0.02 -0.43 1.70 0.66 -0.85 0.00 0.00 174.74 175.83 1a8r n TYR 180 N 5.06 0.80 0.54 1.40 4.01 -0.45 -0.87 117.16 127.66 1a8r n TYR 180 Ca -0.13 0.33 0.12 0.00 -0.16 0.00 0.00 57.90 58.06 1a8r n TYR 180 Cb 0.49 -1.03 0.45 0.00 -0.31 0.00 0.00 39.34 38.94 1a8r n TYR 180 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a8r n VAL 182 N -2.12 1.29 -0.02 0.00 0.31 -0.29 -4.38 118.33 113.12 1a8r n VAL 182 Ca 0.04 -0.48 -0.12 0.00 -0.01 0.00 0.00 64.34 63.77 1a8r n VAL 182 Cb 0.31 -1.34 -0.10 0.00 -0.91 0.00 0.00 33.84 31.79 1a8r n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1a8r h LYS 183 N -0.08 -0.05 -0.64 5.55 3.64 -0.87 -0.52 116.57 123.60 1a8r h LYS 183 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1a8r h LYS 183 Cb 1.76 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 1a8r h LYS 183 CO -0.10 0.61 0.00 0.00 -2.27 0.00 0.00 179.45 177.69 1a8r n ALA 184 N -2.55 2.91 -3.77 5.00 0.00 -0.25 -3.67 120.51 118.19 1a8r n ALA 184 Ca -0.08 -1.33 -0.05 0.00 0.00 0.00 0.00 53.44 51.97 1a8r n ALA 184 Cb 0.34 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1a8r n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a8r s ARG 185 N -1.68 1.40 6.10 0.00 3.52 -1.24 -4.96 118.95 122.09 1a8r s ARG 185 Ca 0.45 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 1a8r s ARG 185 Cb 0.28 0.49 0.00 0.00 -1.56 0.00 0.00 34.95 34.16 1a8r s ARG 185 CO 0.23 -0.64 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 1a8r n GLY 186 N -0.45 1.99 0.27 8.12 0.00 -1.26 -0.78 105.19 113.08 1a8r n GLY 186 Ca -0.06 0.36 0.17 0.00 0.00 0.00 0.00 46.02 46.50 1a8r n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a8r h ILE 187 N 0.00 0.00 -6.31 -0.61 6.09 -1.84 -3.47 117.51 111.36 1a8r h ILE 187 Ca 0.00 -0.49 -0.46 0.00 -1.37 0.00 0.00 64.86 62.54 1a8r h ILE 187 Cb 0.00 1.48 0.01 0.00 0.47 0.00 0.00 36.82 38.78 1a8r h ILE 187 CO 0.00 0.00 -0.89 0.54 -3.07 0.00 0.00 178.15 174.73 1a8r n ARG 188 N -3.05 -3.16 -2.91 2.19 1.74 0.04 -4.91 116.66 106.60 1a8r n ARG 188 Ca 0.01 0.48 -0.43 0.00 -0.77 0.00 0.00 57.85 57.13 1a8r n ARG 188 Cb 0.30 -4.60 -0.05 0.00 -1.02 0.00 0.00 32.46 27.09 1a8r n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1a8r s ASP 189 N -4.14 6.35 0.48 0.55 -1.08 -0.28 -4.92 116.67 113.64 1a8r s ASP 189 Ca 0.13 -0.35 0.27 0.00 -0.52 0.00 0.00 52.55 52.08 1a8r s ASP 189 Cb -0.04 -2.41 1.07 0.00 -1.46 0.00 0.00 42.92 40.08 1a8r s ASP 189 CO 0.86 -1.11 1.88 0.00 0.52 0.00 0.00 175.17 177.33 1a8r h ALA 190 N 9.18 1.02 0.00 3.66 0.00 -1.86 -3.35 119.26 127.91 1a8r h ALA 190 Ca -0.26 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1a8r h ALA 190 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1a8r h ALA 190 CO 1.04 0.17 -1.83 0.25 0.00 0.00 0.00 179.25 178.89 1a8r n THR 191 N -3.29 0.21 -1.28 0.00 -2.24 -1.26 -5.04 114.28 101.39 1a8r n THR 191 Ca 0.00 -0.44 -0.30 0.00 -2.27 0.00 0.00 64.05 61.04 1a8r n THR 191 Cb 0.38 -0.02 0.11 0.00 -2.10 0.00 0.00 70.33 68.70 1a8r n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a8r s SER 192 N -4.13 4.05 0.09 3.42 1.04 -1.26 -5.07 113.70 111.85 1a8r s SER 192 Ca -0.06 1.60 -0.15 0.00 0.48 0.00 0.00 55.95 57.82 1a8r s SER 192 Cb 0.10 -2.30 0.03 0.00 0.10 0.00 0.00 66.02 63.94 1a8r s SER 192 CO 0.69 -2.29 0.36 0.00 0.98 0.00 0.00 173.24 172.98 1a8r s ALA 193 N -2.95 -0.82 -0.04 5.32 0.00 -1.26 -4.82 121.76 117.19 1a8r s ALA 193 Ca 0.62 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.61 1a8r s ALA 193 Cb -0.17 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 1a8r s ALA 193 CO 0.56 -0.56 -0.24 0.99 0.00 0.00 0.00 175.76 176.51 1a8r s THR 194 N -3.37 1.96 -0.10 0.00 2.01 -0.15 -4.94 115.64 111.06 1a8r s THR 194 Ca 0.00 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.00 1a8r s THR 194 Cb 0.01 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.88 1a8r s THR 194 CO -0.09 0.55 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.27 1a8r s THR 195 N -0.36 2.00 0.01 -0.82 2.01 -1.26 -0.69 115.64 116.53 1a8r s THR 195 Ca 0.03 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.09 1a8r s THR 195 Cb -0.12 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1a8r s THR 195 CO 0.01 0.55 -0.14 0.42 -0.69 0.00 0.00 174.62 174.76 1a8r s THR 196 N 0.36 1.14 0.04 -0.82 -4.23 0.14 -4.98 115.64 107.28 1a8r s THR 196 Ca -0.19 -0.80 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 1a8r s THR 196 Cb -0.18 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 1a8r s THR 196 CO 0.09 0.18 -0.11 0.42 -0.54 0.00 0.00 174.62 174.65 1a8r s THR 197 N -0.57 0.83 -0.23 3.99 -4.23 -1.26 -0.13 115.64 114.04 1a8r s THR 197 Ca 0.04 -1.01 -0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1a8r s THR 197 Cb -0.07 -0.81 0.07 0.00 1.34 0.00 0.00 72.50 73.04 1a8r s THR 197 CO 0.00 -0.17 0.05 -0.44 -0.54 0.00 0.00 174.62 173.53 1a8r s SER 198 N -1.31 3.22 -0.23 3.99 0.01 0.64 -4.97 113.70 115.05 1a8r s SER 198 Ca -0.03 -1.04 -0.08 0.00 1.31 0.00 0.00 55.95 56.11 1a8r s SER 198 Cb -0.08 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 1a8r s SER 198 CO 0.01 -0.34 0.09 -0.76 0.41 0.00 0.00 173.24 172.65 1a8r s LEU 199 N 1.82 3.68 0.26 2.44 1.43 -1.26 -0.63 118.68 126.41 1a8r s LEU 199 Ca 0.02 -0.07 0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1a8r s LEU 199 Cb -0.17 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1a8r s LEU 199 CO -0.14 0.04 -0.05 -0.83 0.23 0.00 0.00 176.35 175.59 1a8r s GLY 200 N 1.19 1.71 0.00 -3.19 0.00 0.98 -4.39 107.32 103.61 1a8r s GLY 200 Ca 0.05 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1a8r s GLY 200 CO 0.04 -1.75 0.00 0.61 0.00 0.00 0.00 173.10 172.00 1a8r n GLY 201 N -0.75 3.23 0.28 0.20 0.00 0.24 -1.24 105.19 107.14 1a8r n GLY 201 Ca -0.06 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1a8r n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a8r h LEU 202 N 0.00 0.00 -1.33 0.99 3.38 -1.93 0.94 115.31 117.35 1a8r h LEU 202 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a8r h LEU 202 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a8r h LEU 202 CO 0.00 0.07 -0.01 -0.26 0.09 0.00 0.00 178.44 178.33 1a8r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.42 0.16 116.94 116.85 1a8r h PHE 203 Ca -0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 1a8r h PHE 203 Cb 0.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 1a8r h PHE 203 CO 0.00 0.01 -1.55 1.17 -0.60 0.00 0.00 178.31 177.34 1a8r n LYS 204 N -3.11 0.55 0.23 1.51 3.00 -0.58 -4.21 118.16 115.55 1a8r n LYS 204 Ca 0.01 0.32 -0.09 0.00 -0.00 0.00 0.00 58.31 58.55 1a8r n LYS 204 Cb 0.33 -1.53 -0.04 0.00 0.00 0.00 0.00 35.03 33.79 1a8r n LYS 204 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1a8r h SER 205 N -1.00 -0.49 -3.35 3.14 0.02 -0.84 -3.43 113.55 107.59 1a8r h SER 205 Ca -0.31 0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 60.08 1a8r h SER 205 Cb 1.21 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.81 1a8r h SER 205 CO -0.19 -0.34 0.80 -0.55 -1.14 0.00 0.00 176.83 175.41 1a8r s SER 206 N -3.01 6.88 0.47 3.07 0.15 0.57 -4.91 113.70 116.92 1a8r s SER 206 Ca -0.08 0.95 0.21 0.00 0.70 0.00 0.00 55.95 57.73 1a8r s SER 206 Cb 0.01 -2.53 1.18 0.00 -1.71 0.00 0.00 66.02 62.98 1a8r s SER 206 CO 0.25 -0.88 2.01 -0.61 1.20 0.00 0.00 173.24 175.21 1a8r h GLN 207 N 8.19 0.00 0.14 5.44 4.15 -1.84 0.16 115.11 131.35 1a8r h GLN 207 Ca -0.21 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 1a8r h GLN 207 Cb 1.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1a8r h GLN 207 CO 1.02 0.18 -0.07 -0.97 -1.93 0.00 0.00 178.83 177.07 1a8r h ASN 208 N 0.00 -0.16 -0.35 -0.69 -1.24 -1.91 -1.10 115.58 110.14 1a8r h ASN 208 Ca -0.00 -0.22 -0.06 0.00 0.71 0.00 0.00 56.30 56.73 1a8r h ASN 208 Cb 0.38 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 1a8r h ASN 208 CO 0.02 0.14 -0.01 0.74 -1.29 0.00 0.00 177.43 177.04 1a8r h THR 209 N -0.47 1.26 -0.09 -3.57 2.02 -1.69 -2.77 112.91 107.60 1a8r h THR 209 Ca -0.02 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.21 1a8r h THR 209 Cb 0.37 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 1a8r h THR 209 CO 0.03 0.33 -0.24 -0.09 0.37 0.00 0.00 175.52 175.92 1a8r h ARG 210 N 0.44 -0.31 0.00 6.66 2.43 -0.66 -2.06 114.38 120.88 1a8r h ARG 210 Ca 0.10 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1a8r h ARG 210 Cb 0.47 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1a8r h ARG 210 CO 0.02 -0.21 -0.18 0.45 -1.51 0.00 0.00 179.97 178.54 1a8r h HIS 211 N -0.33 0.00 -0.23 2.20 3.86 -1.23 -0.68 115.15 118.74 1a8r h HIS 211 Ca 0.09 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1a8r h HIS 211 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1a8r h HIS 211 CO -0.32 0.18 -0.03 0.93 0.86 0.00 0.00 177.93 179.55 1a8r h GLU 212 N 0.00 0.42 0.38 2.45 5.08 -1.15 0.86 114.58 122.62 1a8r h GLU 212 Ca -0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1a8r h GLU 212 Cb 0.74 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1a8r h GLU 212 CO 0.02 0.63 -0.18 0.35 -1.00 0.00 0.00 179.01 178.83 1a8r h PHE 213 N 0.16 -0.48 -0.99 4.33 3.57 -1.20 -2.24 116.94 120.11 1a8r h PHE 213 Ca 0.06 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1a8r h PHE 213 Cb 0.46 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 1a8r h PHE 213 CO 0.04 -0.18 0.64 -0.07 -2.23 0.00 0.00 178.31 176.51 1a8r h LEU 214 N -0.73 1.00 -0.37 0.59 3.38 -1.10 -1.42 115.31 116.65 1a8r h LEU 214 Ca -0.05 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1a8r h LEU 214 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1a8r h LEU 214 CO 0.09 0.62 0.22 -0.09 0.09 0.00 0.00 178.44 179.37 1a8r h ARG 215 N 1.12 0.50 -0.80 1.13 2.43 -0.79 -2.83 114.38 115.14 1a8r h ARG 215 Ca 0.44 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.64 1a8r h ARG 215 Cb 0.23 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 1a8r h ARG 215 CO -0.18 0.37 0.52 0.00 -1.51 0.00 0.00 179.97 179.17 1a8r h ALA 216 N 1.10 1.67 -2.40 2.80 0.00 -0.65 -3.44 119.26 118.33 1a8r h ALA 216 Ca 0.13 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.45 1a8r h ALA 216 Cb -0.00 -0.21 0.08 0.00 0.00 0.00 0.00 17.79 17.66 1a8r h ALA 216 CO -0.03 0.20 0.70 0.28 0.00 0.00 0.00 179.25 180.40 1a8r n VAL 217 N -4.49 0.76 -2.34 0.00 0.31 -0.79 -4.32 118.33 107.46 1a8r n VAL 217 Ca 0.12 -0.19 -0.01 0.00 -0.01 0.00 0.00 64.34 64.26 1a8r n VAL 217 Cb 0.25 -1.58 -0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1a8r n VAL 217 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1a8r n ARG 218 N 2.36 -2.56 -3.82 5.55 3.00 -1.26 -5.04 116.66 114.89 1a8r n ARG 218 Ca 0.12 2.18 -0.30 0.00 -0.00 0.00 0.00 57.85 59.85 1a8r n ARG 218 Cb 0.32 -4.05 -0.15 0.00 0.00 0.00 0.00 32.46 28.58 1a8r n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1a8r s HIS 219 N -1.05 2.03 -0.34 -0.14 3.76 -1.26 -5.09 115.29 113.19 1a8r s HIS 219 Ca -0.03 -1.77 -0.35 0.00 -0.15 0.00 0.00 55.06 52.76 1a8r s HIS 219 Cb 0.00 -1.74 -0.11 0.00 1.11 0.00 0.00 32.58 31.84 1a8r s HIS 219 CO 0.55 -0.82 2.18 0.72 -0.85 0.00 0.00 174.74 176.51 1a8r n HIS 220 N 4.76 1.61 -0.19 1.40 8.25 -1.26 -5.04 115.22 124.76 1a8r n HIS 220 Ca -0.04 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1a8r n HIS 220 Cb 0.43 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.01 1a8r n HIS 220 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07