#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 -0.43 -0.38 0.00 -1.33 0.00 0.00 58.87 56.73 1a8r n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 4.03 0.94 2.46 1.43 -1.26 -5.01 118.68 121.27 1a8r s LEU 3 Ca 0.00 2.45 -0.12 0.00 -1.03 0.00 0.00 54.13 55.43 1a8r s LEU 3 Cb 0.00 -4.18 0.15 0.00 0.03 0.00 0.00 46.19 42.19 1a8r s LEU 3 CO 0.00 -1.02 1.09 -0.94 0.23 0.00 0.00 176.35 175.71 1a8r s SER 4 N -1.17 3.11 0.17 2.29 1.04 -1.26 -4.80 113.70 113.08 1a8r s SER 4 Ca 0.64 1.39 -0.15 0.00 0.48 0.00 0.00 55.95 58.31 1a8r s SER 4 Cb -0.33 -2.06 0.09 0.00 0.10 0.00 0.00 66.02 63.82 1a8r s SER 4 CO 0.40 -2.85 1.77 0.11 0.98 0.00 0.00 173.24 173.64 1a8r h LYS 5 N -1.70 0.37 -0.23 4.02 1.57 -1.99 -1.43 116.57 117.18 1a8r h LYS 5 Ca -0.51 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 1a8r h LYS 5 Cb 1.30 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1a8r h LYS 5 CO 0.55 0.24 0.12 0.93 -0.57 0.00 0.00 179.45 180.73 1a8r h GLU 6 N 0.38 0.32 -0.57 3.15 3.07 -1.97 -0.72 114.58 118.24 1a8r h GLU 6 Ca 0.19 -0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.08 1a8r h GLU 6 Cb 0.13 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 27.92 1a8r h GLU 6 CO -0.16 0.31 0.24 0.00 -1.40 0.00 0.00 179.01 178.01 1a8r h ALA 7 N 1.00 0.73 0.41 3.43 0.00 -1.81 -0.23 119.26 122.79 1a8r h ALA 7 Ca 0.08 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1a8r h ALA 7 Cb 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1a8r h ALA 7 CO -0.01 -0.14 -0.23 0.00 0.00 0.00 0.00 179.25 178.87 1a8r h ALA 8 N 1.36 -0.59 -0.29 0.00 0.00 -0.91 -0.30 119.26 118.53 1a8r h ALA 8 Ca 0.27 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1a8r h ALA 8 Cb 0.27 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1a8r h ALA 8 CO -0.24 -0.84 0.03 -0.07 0.00 0.00 0.00 179.25 178.13 1a8r h LEU 9 N -0.59 -0.04 0.01 0.00 3.38 -0.82 -0.33 115.31 116.92 1a8r h LEU 9 Ca -0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1a8r h LEU 9 Cb 0.47 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1a8r h LEU 9 CO 0.07 0.01 -0.00 0.58 0.09 0.00 0.00 178.44 179.19 1a8r h VAL 10 N 0.13 1.01 -0.49 1.22 2.07 -0.96 -0.14 116.25 119.09 1a8r h VAL 10 Ca 0.14 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1a8r h VAL 10 Cb 0.16 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1a8r h VAL 10 CO -0.20 0.01 0.19 -0.74 0.02 0.00 0.00 177.57 176.85 1a8r h HIS 11 N -0.03 0.34 0.46 1.57 -0.00 -0.81 -1.00 115.15 115.68 1a8r h HIS 11 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1a8r h HIS 11 Cb 0.03 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1a8r h HIS 11 CO -0.07 0.13 -0.31 0.93 -0.00 0.00 0.00 177.93 178.61 1a8r h GLU 12 N 0.38 -0.71 -0.75 5.26 5.08 -0.83 -1.47 114.58 121.53 1a8r h GLU 12 Ca 0.23 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.78 1a8r h GLU 12 Cb 0.22 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 1a8r h GLU 12 CO -0.22 -0.48 0.29 0.00 -1.00 0.00 0.00 179.01 177.61 1a8r h ALA 13 N -0.27 1.05 -0.45 3.43 0.00 -0.68 0.39 119.26 122.73 1a8r h ALA 13 Ca -0.05 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1a8r h ALA 13 Cb 0.62 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1a8r h ALA 13 CO 0.04 -0.22 0.05 -0.07 0.00 0.00 0.00 179.25 179.05 1a8r h LEU 14 N 0.43 0.73 -0.75 0.00 3.38 -0.99 -2.08 115.31 116.04 1a8r h LEU 14 Ca 0.41 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1a8r h LEU 14 Cb 0.62 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1a8r h LEU 14 CO -0.41 0.82 0.33 0.58 0.09 0.00 0.00 178.44 179.86 1a8r h VAL 15 N 0.61 1.25 -0.43 1.22 2.07 -0.24 0.19 116.25 120.91 1a8r h VAL 15 Ca 0.13 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.96 1a8r h VAL 15 Cb 0.41 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1a8r h VAL 15 CO 0.01 0.30 0.18 0.00 0.02 0.00 0.00 177.57 178.09 1a8r h ALA 16 N 1.17 0.53 0.00 1.67 0.00 -0.78 -1.25 119.26 120.60 1a8r h ALA 16 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1a8r h ALA 16 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1a8r h ALA 16 CO -0.03 -0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.57 1a8r n ARG 17 N -4.96 0.28 -1.98 0.00 3.00 -0.80 -4.90 116.66 107.30 1a8r n ARG 17 Ca 0.03 0.02 -0.09 0.00 -0.01 0.00 0.00 57.85 57.80 1a8r n ARG 17 Cb 0.14 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.08 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 1.22 0.22 0.00 -0.13 0.00 -0.09 -4.93 105.19 101.48 1a8r n GLY 18 Ca 0.11 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.19 0.80 -4.67 0.99 4.77 0.46 -4.99 117.00 113.18 1a8r n LEU 19 Ca -0.10 -0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 55.17 1a8r n LEU 19 Cb 0.52 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1a8r n LEU 19 CO 0.12 0.19 0.75 -0.62 -1.33 0.00 0.00 177.39 176.51 1a8r n GLU 20 N -1.55 1.50 -2.07 3.23 -0.58 -1.23 -4.86 120.64 115.08 1a8r n GLU 20 Ca 0.04 0.55 -0.39 0.00 -0.42 0.00 0.00 57.16 56.93 1a8r n GLU 20 Cb 0.34 -2.29 -0.01 0.00 -0.57 0.00 0.00 31.44 28.91 1a8r n GLU 20 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1a8r s THR 21 N -1.31 2.64 -0.84 2.62 2.01 -1.26 -4.80 115.64 114.70 1a8r s THR 21 Ca 0.67 0.58 -0.22 0.00 0.31 0.00 0.00 61.69 63.03 1a8r s THR 21 Cb -0.48 -3.34 -0.18 0.00 0.01 0.00 0.00 72.50 68.51 1a8r s THR 21 CO 0.53 0.09 2.25 -2.65 -0.69 0.00 0.00 174.62 174.16 1a8r n PRO 22 N 0.18 0.36 -4.88 4.92 -0.02 -1.26 -4.88 135.00 129.42 1a8r n PRO 22 Ca 0.03 -0.85 -0.25 0.00 -2.02 0.00 0.00 63.50 60.41 1a8r n PRO 22 Cb 0.43 -3.22 -0.15 0.00 -0.02 0.00 0.00 33.50 30.54 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 12.49 2.03 0.03 2.45 2.96 -1.26 -5.14 118.68 132.23 1a8r s LEU 23 Ca 0.92 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.38 1a8r s LEU 23 Cb -0.22 -0.95 -0.06 0.00 0.50 0.00 0.00 46.19 45.47 1a8r s LEU 23 CO 0.17 0.22 0.38 -0.13 -1.32 0.00 0.00 176.35 175.67 1a8r s ARG 24 N -0.40 3.80 0.65 1.98 0.52 -1.26 -5.07 118.95 119.18 1a8r s ARG 24 Ca 0.06 0.26 -0.18 0.00 -0.52 0.00 0.00 55.73 55.35 1a8r s ARG 24 Cb -0.07 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 1a8r s ARG 24 CO -0.00 0.64 1.15 -2.30 0.02 0.00 0.00 175.30 174.80 1a8r n PRO 25 N 1.40 0.93 -1.53 3.54 -0.02 -1.26 -4.77 135.00 133.30 1a8r n PRO 25 Ca -0.12 0.37 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 1a8r n PRO 25 Cb 0.53 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.69 0.38 -0.16 0.52 -0.02 -1.26 -4.77 135.00 128.00 1a8r n PRO 26 Ca 0.15 -0.40 -0.03 0.00 -2.02 0.00 0.00 63.50 61.21 1a8r n PRO 26 Cb 0.48 -2.58 0.19 0.00 -0.02 0.00 0.00 33.50 31.57 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 7.49 1.22 -2.89 -1.45 2.07 -2.04 -3.43 116.25 117.22 1a8r h VAL 27 Ca -0.02 -0.73 -0.15 0.00 0.82 0.00 0.00 66.70 66.62 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 1.26 0.29 -0.35 -1.00 0.02 0.00 0.00 177.57 177.79 1a8r s HIS 28 N -5.36 -0.41 -1.48 1.57 3.76 -1.26 -5.05 115.29 107.06 1a8r s HIS 28 Ca -0.10 0.95 -0.10 0.00 -0.15 0.00 0.00 55.06 55.66 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 3.39 3.59 -3.32 1.40 1.02 -1.26 -4.93 120.64 120.52 1a8r n GLU 29 Ca -0.17 -2.72 -0.38 0.00 -0.02 0.00 0.00 57.16 53.86 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 1.66 4.23 0.32 3.49 1.75 -1.26 -5.03 119.30 124.46 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 -3.35 -0.11 0.00 2.84 0.00 0.00 34.83 34.36 1a8r s MET 30 CO -0.07 0.36 1.58 0.34 -0.65 0.00 0.00 175.02 176.59 1a8r s ASP 31 N -0.08 6.33 0.44 1.11 -1.08 -1.26 -4.88 116.67 117.25 1a8r s ASP 31 Ca 0.27 3.01 0.27 0.00 -0.52 0.00 0.00 52.55 55.58 1a8r s ASP 31 Cb -0.17 -2.65 1.31 0.00 -1.46 0.00 0.00 42.92 39.96 1a8r s ASP 31 CO 0.13 -0.93 1.71 0.78 0.52 0.00 0.00 175.17 177.38 1a8r h ASN 32 N 4.30 0.29 -0.96 -0.34 4.21 -2.00 -1.33 115.58 119.76 1a8r h ASN 32 Ca -0.48 0.09 0.06 0.00 1.21 0.00 0.00 56.30 57.18 1a8r h ASN 32 Cb 1.23 0.06 -0.06 0.00 -1.12 0.00 0.00 38.32 38.42 1a8r h ASN 32 CO 0.75 -0.04 0.62 -0.33 -1.29 0.00 0.00 177.43 177.14 1a8r h GLU 33 N 0.20 1.08 -0.23 0.81 5.08 -1.99 0.96 114.58 120.50 1a8r h GLU 33 Ca 0.70 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.83 1a8r h GLU 33 Cb 2.12 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 1a8r h GLU 33 CO -0.30 0.72 -0.52 1.15 -1.00 0.00 0.00 179.01 179.06 1a8r h THR 34 N 1.11 1.31 -0.30 1.13 2.02 -1.61 -0.34 112.91 116.24 1a8r h THR 34 Ca 0.41 -1.74 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 1a8r h THR 34 Cb 0.16 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1a8r h THR 34 CO -0.15 0.55 0.11 0.03 0.37 0.00 0.00 175.52 176.43 1a8r h ARG 35 N 0.51 0.45 -0.81 6.66 3.08 -1.29 0.30 114.38 123.28 1a8r h ARG 35 Ca 0.02 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1a8r h ARG 35 Cb 1.08 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.02 1a8r h ARG 35 CO 0.10 0.47 0.43 0.87 -1.07 0.00 0.00 179.97 180.78 1a8r h LYS 36 N 0.33 1.13 -0.48 0.04 1.57 -0.67 0.17 116.57 118.65 1a8r h LYS 36 Ca 0.10 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1a8r h LYS 36 Cb 0.20 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1a8r h LYS 36 CO -0.01 0.84 -0.04 0.66 -0.57 0.00 0.00 179.45 180.32 1a8r h SER 37 N 1.13 0.87 -0.08 0.86 4.64 -0.73 0.15 113.55 120.40 1a8r h SER 37 Ca 0.28 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1a8r h SER 37 Cb 0.04 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1a8r h SER 37 CO -0.04 0.99 0.03 -0.07 -0.87 0.00 0.00 176.83 176.87 1a8r h LEU 38 N 0.73 0.12 -0.37 5.97 3.38 -0.33 -1.06 115.31 123.75 1a8r h LEU 38 Ca 0.13 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1a8r h LEU 38 Cb 0.57 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1a8r h LEU 38 CO 0.03 0.28 0.19 0.40 0.09 0.00 0.00 178.44 179.44 1a8r h ILE 39 N -0.05 1.15 -0.57 1.22 2.04 -0.63 -1.96 117.51 118.70 1a8r h ILE 39 Ca 0.03 -0.41 0.11 0.00 1.00 0.00 0.00 64.86 65.59 1a8r h ILE 39 Cb 0.21 0.75 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 1a8r h ILE 39 CO -0.00 0.16 0.06 0.00 0.00 0.00 0.00 178.15 178.37 1a8r h ALA 40 N 1.05 0.62 -0.20 1.87 0.00 -0.53 0.84 119.26 122.90 1a8r h ALA 40 Ca 0.13 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1a8r h ALA 40 Cb 0.08 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1a8r h ALA 40 CO -0.02 -0.35 0.05 0.78 0.00 0.00 0.00 179.25 179.72 1a8r h GLY 41 N 0.19 0.23 1.04 0.00 0.00 -0.72 0.62 103.07 104.43 1a8r h GLY 41 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1a8r h GLY 41 CO -0.43 0.01 0.61 0.45 0.00 0.00 0.00 176.54 177.18 1a8r h HIS 42 N 0.14 1.23 -0.57 5.60 -0.00 -0.42 -1.02 115.15 120.12 1a8r h HIS 42 Ca 0.09 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1a8r h HIS 42 Cb 0.07 -0.41 -0.03 0.00 -0.00 0.00 0.00 27.41 27.05 1a8r h HIS 42 CO -0.13 0.79 0.24 0.52 -0.00 0.00 0.00 177.93 179.35 1a8r h MET 43 N 1.30 0.84 -0.47 2.45 2.86 -0.30 -0.84 114.93 120.76 1a8r h MET 43 Ca 0.35 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.91 1a8r h MET 43 Cb -0.11 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.35 1a8r h MET 43 CO -0.07 0.71 0.14 1.15 1.06 0.00 0.00 176.91 179.89 1a8r h THR 44 N 0.77 0.80 0.07 2.22 2.02 -0.10 -0.30 112.91 118.40 1a8r h THR 44 Ca 0.19 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1a8r h THR 44 Cb 0.17 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1a8r h THR 44 CO -0.02 0.05 -0.09 -0.33 0.37 0.00 0.00 175.52 175.51 1a8r h GLU 45 N 0.29 -0.18 -0.25 6.66 4.39 -0.71 -1.06 114.58 123.72 1a8r h GLU 45 Ca 0.23 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.99 1a8r h GLU 45 Cb 0.26 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 1a8r h GLU 45 CO -0.26 -0.12 -0.08 0.82 -1.16 0.00 0.00 179.01 178.21 1a8r h ILE 46 N -0.19 0.72 -0.88 3.13 2.04 -0.55 0.67 117.51 122.45 1a8r h ILE 46 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1a8r h ILE 46 Cb 0.19 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1a8r h ILE 46 CO -0.04 0.00 0.57 0.24 0.00 0.00 0.00 178.15 178.92 1a8r h MET 47 N -0.02 1.07 -0.77 2.37 2.86 -0.89 0.29 114.93 119.84 1a8r h MET 47 Ca 0.12 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1a8r h MET 47 Cb 0.21 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1a8r h MET 47 CO -0.27 0.71 0.37 1.96 1.06 0.00 0.00 176.91 180.74 1a8r h GLN 48 N 1.11 1.10 -0.00 1.72 4.20 -0.28 -0.32 115.11 122.64 1a8r h GLN 48 Ca 0.35 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 1a8r h GLN 48 Cb 0.01 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1a8r h GLN 48 CO -0.12 0.85 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.64 1a8r h LEU 49 N 1.10 0.01 -0.56 1.46 3.38 1.00 0.75 115.31 122.44 1a8r h LEU 49 Ca 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1a8r h LEU 49 Cb 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1a8r h LEU 49 CO -0.03 0.19 0.00 0.18 0.09 0.00 0.00 178.44 178.86 1a8r n LEU 50 N -4.32 0.87 -2.42 1.67 4.77 -0.12 -4.91 117.00 112.53 1a8r n LEU 50 Ca -0.02 -0.30 -0.19 0.00 -0.03 0.00 0.00 56.01 55.47 1a8r n LEU 50 Cb 0.25 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1a8r n LEU 50 CO 0.36 0.15 -0.07 0.59 -1.33 0.00 0.00 177.39 177.10 1a8r n ASN 51 N -0.31 -5.38 -4.76 -1.43 3.02 0.26 -4.99 115.26 101.67 1a8r n ASN 51 Ca 0.21 -0.18 -0.40 0.00 -0.03 0.00 0.00 54.58 54.18 1a8r n ASN 51 Cb 0.25 -4.28 -0.05 0.00 -0.61 0.00 0.00 39.78 35.08 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 -5.55 4.49 -1.05 3.41 1.43 -0.51 -4.99 118.68 115.92 1a8r s LEU 52 Ca 0.18 1.46 -0.22 0.00 -1.03 0.00 0.00 54.13 54.52 1a8r s LEU 52 Cb -0.08 -3.19 0.06 0.00 0.03 0.00 0.00 46.19 43.01 1a8r s LEU 52 CO 0.23 0.10 1.46 -0.62 0.23 0.00 0.00 176.35 177.74 1a8r s ASP 53 N -0.46 6.56 0.00 2.29 2.15 -1.26 -4.57 116.67 121.38 1a8r s ASP 53 Ca 0.36 -1.66 0.01 0.00 0.43 0.00 0.00 52.55 51.69 1a8r s ASP 53 Cb -0.21 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 39.89 1a8r s ASP 53 CO 0.23 -1.42 0.77 0.18 -0.17 0.00 0.00 175.17 174.77 1a8r n LEU 54 N 8.57 0.00 0.10 -1.34 4.77 -1.26 -1.06 117.00 126.79 1a8r n LEU 54 Ca 0.34 0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 56.54 1a8r n LEU 54 Cb 0.50 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1a8r n LEU 54 CO 0.66 -0.24 0.32 0.00 -1.33 0.00 0.00 177.39 176.80 1a8r h ALA 55 N 2.03 0.61 -2.77 -1.18 0.00 -1.93 -3.23 119.26 112.78 1a8r h ALA 55 Ca 0.00 -0.72 -0.53 0.00 0.00 0.00 0.00 54.91 53.67 1a8r h ALA 55 Cb 0.00 -0.13 0.07 0.00 0.00 0.00 0.00 17.79 17.74 1a8r h ALA 55 CO 0.00 0.98 0.84 0.34 0.00 0.00 0.00 179.25 181.41 1a8r s ASP 56 N -6.69 6.50 0.41 0.00 2.15 -0.22 -4.79 116.67 114.02 1a8r s ASP 56 Ca 0.01 2.82 0.17 0.00 0.43 0.00 0.00 52.55 55.97 1a8r s ASP 56 Cb 0.10 -2.63 1.05 0.00 -0.30 0.00 0.00 42.92 41.15 1a8r s ASP 56 CO 0.78 -0.82 1.85 -2.24 -0.17 0.00 0.00 175.17 174.57 1a8r h ASP 57 N 5.03 0.44 0.55 -0.34 2.03 -1.89 0.57 116.42 122.81 1a8r h ASP 57 Ca -0.46 0.05 -0.11 0.00 -0.73 0.00 0.00 57.03 55.77 1a8r h ASP 57 Cb 1.22 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.67 1a8r h ASP 57 CO 0.79 0.17 -0.53 -1.28 -1.03 0.00 0.00 179.24 177.37 1a8r h SER 58 N 0.44 0.00 0.14 4.15 0.87 -1.94 -3.28 113.55 113.93 1a8r h SER 58 Ca 0.48 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.93 1a8r h SER 58 Cb 1.15 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.09 1a8r h SER 58 CO -0.19 0.53 -1.96 0.18 -0.53 0.00 0.00 176.83 174.85 1a8r n LEU 59 N -3.88 0.15 -0.36 2.23 4.77 -0.43 -4.61 117.00 114.86 1a8r n LEU 59 Ca -0.01 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1a8r n LEU 59 Cb 0.54 0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.79 1a8r n LEU 59 CO 0.41 0.12 0.59 -0.03 -1.33 0.00 0.00 177.39 177.14 1a8r h MET 60 N 0.00 -0.02 -0.13 3.23 4.05 -0.96 -0.56 114.93 120.54 1a8r h MET 60 Ca -0.15 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1a8r h MET 60 Cb 1.36 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.16 1a8r h MET 60 CO 0.01 -0.02 0.00 0.39 0.23 0.00 0.00 176.91 177.53 1a8r n GLU 61 N -5.46 1.69 0.16 0.39 -0.58 -1.26 -4.42 120.64 111.16 1a8r n GLU 61 Ca 0.09 -1.03 -0.14 0.00 -0.42 0.00 0.00 57.16 55.66 1a8r n GLU 61 Cb 0.39 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 29.78 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 2.18 0.36 -0.83 2.62 2.02 -1.35 -0.53 112.91 117.38 1a8r h THR 62 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 1a8r h THR 62 Cb 0.47 0.36 -0.13 0.00 -1.74 0.00 0.00 68.15 67.12 1a8r h THR 62 CO 0.00 0.00 0.21 -0.65 0.37 0.00 0.00 175.52 175.45 1a8r h PRO 63 N -0.59 0.23 -0.42 6.66 0.11 -1.77 0.29 132.00 136.51 1a8r h PRO 63 Ca 0.00 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1a8r h PRO 63 Cb 0.57 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1a8r h PRO 63 CO -0.11 0.16 0.00 1.25 -0.21 0.00 0.00 178.00 179.09 1a8r h HIS 64 N 0.24 0.81 -0.60 0.65 -0.00 -1.79 -1.67 115.15 112.80 1a8r h HIS 64 Ca 0.50 -0.14 0.01 0.00 -0.00 0.00 0.00 60.37 60.73 1a8r h HIS 64 Cb 0.94 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 1a8r h HIS 64 CO -0.27 0.81 0.40 0.00 -0.00 0.00 0.00 177.93 178.87 1a8r h ARG 65 N 0.59 0.79 -0.39 5.26 3.08 0.11 -0.28 114.38 123.54 1a8r h ARG 65 Ca 0.12 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1a8r h ARG 65 Cb 0.48 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1a8r h ARG 65 CO 0.02 0.52 -0.10 0.82 -1.07 0.00 0.00 179.97 180.16 1a8r h ILE 66 N 0.81 1.28 -0.44 2.04 2.04 -0.77 -1.16 117.51 121.31 1a8r h ILE 66 Ca 0.22 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.93 1a8r h ILE 66 Cb -0.09 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1a8r h ILE 66 CO -0.05 0.39 0.23 0.00 0.00 0.00 0.00 178.15 178.73 1a8r h ALA 67 N 0.83 0.55 -0.42 1.87 0.00 -0.99 -0.46 119.26 120.64 1a8r h ALA 67 Ca 0.10 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1a8r h ALA 67 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1a8r h ALA 67 CO 0.04 -0.12 0.08 -0.22 0.00 0.00 0.00 179.25 179.03 1a8r h LYS 68 N 0.46 0.64 0.12 0.00 3.64 -0.95 -1.75 116.57 118.73 1a8r h LYS 68 Ca 0.19 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1a8r h LYS 68 Cb 0.07 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1a8r h LYS 68 CO -0.12 0.61 -0.06 1.98 -2.27 0.00 0.00 179.45 179.59 1a8r h MET 69 N 0.62 -0.16 0.08 1.90 4.05 -0.39 0.54 114.93 121.58 1a8r h MET 69 Ca 0.14 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1a8r h MET 69 Cb 0.27 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1a8r h MET 69 CO 0.00 0.22 -0.08 1.88 0.23 0.00 0.00 176.91 179.16 1a8r h TYR 70 N -0.56 -0.21 0.26 1.39 0.05 -1.06 0.29 116.97 117.13 1a8r h TYR 70 Ca -0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1a8r h TYR 70 Cb 0.45 0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.27 1a8r h TYR 70 CO 0.05 -0.13 -0.12 0.28 -1.05 0.00 0.00 178.16 177.19 1a8r h VAL 71 N -0.18 0.00 0.00 -2.88 2.07 -1.40 -3.30 116.25 110.56 1a8r h VAL 71 Ca 0.00 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1a8r h VAL 71 Cb 0.17 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1a8r h VAL 71 CO -0.02 0.00 -0.44 0.44 0.02 0.00 0.00 177.57 177.57 1a8r h ASP 72 N -0.71 0.00 0.00 0.57 3.32 -1.03 -3.40 116.42 115.18 1a8r h ASP 72 Ca -0.04 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1a8r h ASP 72 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1a8r h ASP 72 CO 0.06 0.03 0.00 -0.62 -1.72 0.00 0.00 179.24 176.99 1a8r n GLU 73 N -2.58 0.00 0.23 3.56 1.02 -0.08 -4.66 120.64 118.13 1a8r n GLU 73 Ca 0.03 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.31 1a8r n GLU 73 Cb 0.49 0.00 0.75 0.00 -0.02 0.00 0.00 31.44 32.66 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 -0.07 -3.67 3.07 -1.35 -1.74 117.51 113.75 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 0.61 0.00 0.00 -0.27 0.00 0.00 36.82 37.16 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 -2.51 0.21 0.13 0.16 3.72 -1.24 -2.41 117.46 115.52 1a8r n PHE 75 Ca -0.02 -0.87 0.17 0.00 -0.05 0.00 0.00 57.45 56.68 1a8r n PHE 75 Cb 0.12 -0.16 0.74 0.00 -0.94 0.00 0.00 39.48 39.24 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 0.45 0.00 0.44 4.37 4.64 -1.32 -0.85 113.55 121.29 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 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1a8r h SER 76 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1a8r n GLY 77 N -1.52 -1.03 0.23 -0.77 0.00 0.48 -2.02 105.19 100.55 1a8r n GLY 77 Ca 0.04 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 -8.51 0.99 3.38 -1.25 -3.41 115.31 106.51 1a8r h LEU 78 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 1a8r h LEU 78 Cb 0.22 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.75 1a8r h LEU 78 CO 0.00 0.21 -0.49 -0.62 0.09 0.00 0.00 178.44 177.63 1a8r s ASP 79 N -6.18 5.87 0.00 -0.43 2.15 -0.85 -4.96 116.67 112.27 1a8r s ASP 79 Ca 0.00 -0.77 0.06 0.00 0.43 0.00 0.00 52.55 52.27 1a8r s ASP 79 Cb 0.11 -2.08 0.33 0.00 -0.30 0.00 0.00 42.92 40.98 1a8r s ASP 79 CO 0.63 -0.34 0.79 -1.22 -0.17 0.00 0.00 175.17 174.86 1a8r n TYR 80 N 5.06 0.00 0.32 -5.34 4.02 -1.26 -0.53 117.16 119.42 1a8r n TYR 80 Ca -0.12 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.91 1a8r n TYR 80 Cb 0.48 0.00 0.39 0.00 -0.02 0.00 0.00 39.34 40.18 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 2.32 1.00 -0.31 -0.72 0.00 -1.92 -2.77 119.26 116.86 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 -2.89 2.69 -4.75 0.00 3.02 0.31 -4.96 115.26 108.67 1a8r n ASN 82 Ca 0.03 -1.89 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 1a8r n ASN 82 Cb 0.42 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 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 -1.60 2.86 0.58 3.10 5.36 -1.05 -4.94 117.98 122.30 1a8r s PHE 83 Ca 0.36 0.99 -0.20 0.00 -0.96 0.00 0.00 56.93 57.11 1a8r s PHE 83 Cb 0.20 -3.93 -0.03 0.00 -0.34 0.00 0.00 43.02 38.92 1a8r s PHE 83 CO 0.29 -2.99 1.32 -1.25 -1.46 0.00 0.00 175.22 171.14 1a8r s PRO 84 N -0.79 2.92 -0.31 10.12 0.04 -1.26 -4.94 135.00 140.78 1a8r s PRO 84 Ca 0.59 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 63.48 1a8r s PRO 84 Cb -0.45 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.01 1a8r s PRO 84 CO 0.49 -1.33 1.21 0.15 0.04 0.00 0.00 177.00 177.56 1a8r s LYS 85 N -3.10 3.97 -0.03 4.56 1.02 -1.26 -4.93 119.74 119.97 1a8r s LYS 85 Ca 0.76 1.17 -0.22 0.00 0.02 0.00 0.00 55.97 57.70 1a8r s LYS 85 Cb -0.39 -3.83 -0.05 0.00 -0.52 0.00 0.00 37.83 33.05 1a8r s LYS 85 CO 0.44 -1.04 0.66 0.42 -0.92 0.00 0.00 175.35 174.91 1a8r s ILE 86 N 4.09 4.95 0.04 2.17 -1.09 -1.26 -4.95 121.20 125.15 1a8r s ILE 86 Ca 0.52 1.38 0.07 0.00 -2.23 0.00 0.00 60.65 60.39 1a8r s ILE 86 Cb -0.15 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.70 1a8r s ILE 86 CO 0.20 0.33 -0.20 0.42 -1.23 0.00 0.00 174.94 174.46 1a8r s THR 87 N 0.30 1.63 0.04 2.92 -4.23 -1.26 -5.08 115.64 109.97 1a8r s THR 87 Ca 0.35 -1.18 -0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1a8r s THR 87 Cb -0.18 -1.42 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1a8r s THR 87 CO 0.18 0.20 0.04 -0.76 -0.54 0.00 0.00 174.62 173.74 1a8r s LEU 88 N -1.17 2.07 0.13 4.79 1.43 -1.26 -1.76 118.68 122.91 1a8r s LEU 88 Ca 0.07 -0.70 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 1a8r s LEU 88 Cb -0.09 0.42 -0.04 0.00 0.03 0.00 0.00 46.19 46.52 1a8r s LEU 88 CO 0.02 -0.53 -0.12 0.27 0.23 0.00 0.00 176.35 176.22 1a8r s ILE 89 N -2.99 1.21 0.21 -0.59 -4.36 0.55 -4.94 121.20 110.30 1a8r s ILE 89 Ca -0.02 -1.83 -0.31 0.00 -0.26 0.00 0.00 60.65 58.24 1a8r s ILE 89 Cb 0.01 -1.62 -0.10 0.00 1.25 0.00 0.00 42.46 42.01 1a8r s ILE 89 CO -0.06 -0.56 1.47 -0.70 0.24 0.00 0.00 174.94 175.32 1a8r s GLU 90 N -3.08 4.26 -1.25 0.37 2.12 -1.26 -0.11 118.70 119.75 1a8r s GLU 90 Ca 0.11 2.29 -0.08 0.00 0.36 0.00 0.00 54.97 57.66 1a8r s GLU 90 Cb -0.02 -3.14 -0.07 0.00 0.26 0.00 0.00 34.13 31.17 1a8r s GLU 90 CO 0.02 -0.47 2.51 -1.71 -0.54 0.00 0.00 175.26 175.07 1a8r n ASN 91 N 2.93 6.74 0.25 -1.70 5.15 -0.26 -4.43 115.26 123.93 1a8r n ASN 91 Ca 0.09 -2.44 0.13 0.00 -0.60 0.00 0.00 54.58 51.76 1a8r n ASN 91 Cb 0.40 -1.31 0.57 0.00 -0.53 0.00 0.00 39.78 38.91 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 5.69 0.00 0.00 1.20 1.57 -1.89 -1.77 116.57 121.38 1a8r h LYS 92 Ca 0.67 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.45 1a8r h LYS 92 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1a8r h LYS 92 CO 1.60 0.13 0.00 0.52 -0.57 0.00 0.00 179.45 181.14 1a8r h MET 93 N 0.00 0.00 -5.85 3.15 2.86 -2.00 -3.46 114.93 109.63 1a8r h MET 93 Ca -0.00 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.25 1a8r h MET 93 Cb 0.62 0.00 0.13 0.00 0.06 0.00 0.00 31.60 32.41 1a8r h MET 93 CO 0.02 0.00 -0.71 1.63 1.06 0.00 0.00 176.91 178.91 1a8r n LYS 94 N -2.63 -7.48 -2.37 1.72 5.02 -0.66 -4.93 118.16 106.83 1a8r n LYS 94 Ca 0.01 0.81 -0.43 0.00 -2.02 0.00 0.00 58.31 56.68 1a8r n LYS 94 Cb 0.22 -5.84 -0.02 0.00 -0.02 0.00 0.00 35.03 29.37 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 -3.33 4.13 -0.15 -0.18 1.01 -1.26 -4.89 120.40 115.73 1a8r s VAL 95 Ca 0.47 1.42 0.17 0.00 0.00 0.00 0.00 61.98 64.03 1a8r s VAL 95 Cb -0.21 -3.91 0.44 0.00 0.00 0.00 0.00 36.38 32.70 1a8r s VAL 95 CO 0.74 -0.07 1.19 -0.90 0.00 0.00 0.00 175.10 176.05 1a8r n ASP 96 N 6.08 1.87 -4.26 3.32 5.75 -1.26 -4.26 116.55 123.78 1a8r n ASP 96 Ca 0.13 -3.04 -0.20 0.00 -0.01 0.00 0.00 54.79 51.67 1a8r n ASP 96 Cb 0.45 -0.42 -0.12 0.00 -1.03 0.00 0.00 41.12 40.00 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 -2.23 1.06 0.53 0.11 0.41 -1.26 -4.96 118.70 112.35 1a8r s GLU 97 Ca 0.37 -1.19 -0.20 0.00 -0.41 0.00 0.00 54.97 53.53 1a8r s GLU 97 Cb 0.38 -1.11 -0.06 0.00 -1.78 0.00 0.00 34.13 31.56 1a8r s GLU 97 CO -0.09 0.24 1.17 0.00 -0.49 0.00 0.00 175.26 176.08 1a8r s MET 98 N -2.30 3.39 -0.16 1.61 0.23 -1.26 -4.29 119.30 116.52 1a8r s MET 98 Ca 0.07 1.73 -0.03 0.00 -1.03 0.00 0.00 55.69 56.44 1a8r s MET 98 Cb -0.07 -2.12 -0.02 0.00 -1.53 0.00 0.00 34.83 31.08 1a8r s MET 98 CO 0.04 -0.84 -0.06 0.08 -2.03 0.00 0.00 175.02 172.20 1a8r s VAL 99 N -1.64 3.57 -0.08 5.16 1.01 0.15 -4.92 120.40 123.65 1a8r s VAL 99 Ca 0.71 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.27 1a8r s VAL 99 Cb -0.27 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1a8r s VAL 99 CO 0.31 0.48 -0.21 -0.89 0.00 0.00 0.00 175.10 174.80 1a8r s THR 100 N 0.60 1.82 -0.25 3.92 2.01 -1.26 -2.01 115.64 120.47 1a8r s THR 100 Ca -0.04 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 1a8r s THR 100 Cb -0.15 -1.58 0.03 0.00 0.01 0.00 0.00 72.50 70.81 1a8r s THR 100 CO 0.03 0.51 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.72 1a8r s VAL 101 N 0.31 2.90 0.27 3.82 1.01 0.78 -4.99 120.40 124.50 1a8r s VAL 101 Ca -0.15 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 60.87 1a8r s VAL 101 Cb -0.16 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1a8r s VAL 101 CO 0.07 0.18 0.11 0.00 0.00 0.00 0.00 175.10 175.46 1a8r s ARG 102 N 1.32 2.60 -1.48 2.72 1.70 -1.26 -0.99 118.95 123.56 1a8r s ARG 102 Ca -0.00 -1.27 -0.12 0.00 -0.47 0.00 0.00 55.73 53.87 1a8r s ARG 102 Cb -0.17 -2.35 0.06 0.00 -0.57 0.00 0.00 34.95 31.92 1a8r s ARG 102 CO -0.04 0.34 1.01 -0.25 -1.08 0.00 0.00 175.30 175.28 1a8r n ASP 103 N -1.07 -4.83 -4.70 -2.89 8.00 -1.13 -4.94 116.55 105.00 1a8r n ASP 103 Ca -0.06 -0.73 -0.42 0.00 0.71 0.00 0.00 54.79 54.28 1a8r n ASP 103 Cb 0.59 -4.15 -0.03 0.00 -0.02 0.00 0.00 41.12 37.51 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 -3.33 3.75 0.18 0.53 1.01 -0.24 -4.80 121.20 118.29 1a8r s ILE 104 Ca 0.59 1.18 -0.32 0.00 0.00 0.00 0.00 60.65 62.10 1a8r s ILE 104 Cb -0.29 -3.76 -0.11 0.00 0.01 0.00 0.00 42.46 38.32 1a8r s ILE 104 CO 0.81 0.03 1.64 -0.89 0.00 0.00 0.00 174.94 176.53 1a8r s THR 105 N 1.93 2.39 -0.10 2.92 2.01 -1.26 -1.08 115.64 122.45 1a8r s THR 105 Ca 0.62 0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.88 1a8r s THR 105 Cb -0.31 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1a8r s THR 105 CO 0.27 0.02 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.94 1a8r s LEU 106 N 1.27 1.06 -0.15 4.42 0.20 -0.27 -4.80 118.68 120.41 1a8r s LEU 106 Ca 0.72 -0.23 0.01 0.00 0.69 0.00 0.00 54.13 55.32 1a8r s LEU 106 Cb -0.46 -0.71 0.02 0.00 -0.43 0.00 0.00 46.19 44.60 1a8r s LEU 106 CO 0.32 -0.13 -0.18 0.42 -0.29 0.00 0.00 176.35 176.49 1a8r s THR 107 N 1.67 1.87 0.20 3.68 -4.23 -1.26 -0.82 115.64 116.74 1a8r s THR 107 Ca 0.03 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 1a8r s THR 107 Cb -0.13 -1.70 -0.01 0.00 1.34 0.00 0.00 72.50 72.00 1a8r s THR 107 CO -0.06 0.51 0.20 -0.24 -0.54 0.00 0.00 174.62 174.49 1a8r n SER 108 N 4.47 -0.52 -3.95 3.99 2.88 -0.49 -4.09 113.62 115.91 1a8r n SER 108 Ca -0.20 -2.22 -0.17 0.00 -1.33 0.00 0.00 58.87 54.95 1a8r n SER 108 Cb 0.51 1.12 -0.15 0.00 -0.75 0.00 0.00 64.21 64.93 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 -2.75 0.49 0.26 2.46 2.01 -1.25 -0.36 115.64 116.51 1a8r s THR 109 Ca 0.21 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 1a8r s THR 109 Cb 0.01 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 71.98 1a8r s THR 109 CO 0.15 0.16 0.96 0.00 -0.69 0.00 0.00 174.62 175.20 1a8r n GLU 111 N 1.25 0.02 0.08 0.00 0.28 -0.38 -0.39 120.64 121.50 1a8r n GLU 111 Ca -0.01 0.01 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1a8r n GLU 111 Cb 0.47 -1.52 -0.06 0.00 1.43 0.00 0.00 31.44 31.76 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 0.32 0.00 -1.84 4.64 -1.92 -3.38 113.55 111.37 1a8r h SER 112 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1a8r h SER 112 Cb 0.52 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1a8r h SER 112 CO 0.00 1.14 0.00 1.41 -0.87 0.00 0.00 176.83 178.51 1a8r n HIS 113 N -3.61 0.00 -3.56 4.77 8.25 -1.24 -5.02 115.22 114.81 1a8r n HIS 113 Ca -0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.19 1a8r n HIS 113 Cb 0.88 0.00 0.08 0.00 1.12 0.00 0.00 29.99 32.07 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 -2.64 -4.29 4.41 3.01 0.47 -5.00 117.46 113.28 1a8r n PHE 114 Ca 0.00 0.99 -0.26 0.00 1.01 0.00 0.00 57.45 59.19 1a8r n PHE 114 Cb 0.09 -5.01 -0.09 0.00 -0.01 0.00 0.00 39.48 34.47 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 -3.34 3.28 0.28 -4.37 1.01 -1.23 -4.83 120.40 111.20 1a8r s VAL 115 Ca 0.40 -1.73 -0.29 0.00 0.00 0.00 0.00 61.98 60.35 1a8r s VAL 115 Cb -0.18 -2.66 -0.13 0.00 0.00 0.00 0.00 36.38 33.41 1a8r s VAL 115 CO 0.74 -0.19 1.25 0.41 0.00 0.00 0.00 175.10 177.30 1a8r n THR 116 N -0.24 1.58 -4.02 3.92 -1.04 -1.26 -0.00 114.28 113.22 1a8r n THR 116 Ca -0.09 -0.40 -0.31 0.00 -2.04 0.00 0.00 64.05 61.22 1a8r n THR 116 Cb 0.56 -1.34 -0.16 0.00 -1.82 0.00 0.00 70.33 67.57 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 -0.69 1.65 -0.21 12.58 1.01 0.52 -1.54 121.20 134.52 1a8r s ILE 117 Ca 0.62 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1a8r s ILE 117 Cb -0.65 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 1a8r s ILE 117 CO 0.57 0.34 -0.01 -0.62 0.00 0.00 0.00 174.94 175.21 1a8r s ASP 118 N 1.43 4.66 0.21 3.58 2.15 -0.13 -1.39 116.67 127.18 1a8r s ASP 118 Ca 0.02 -0.27 -0.05 0.00 0.43 0.00 0.00 52.55 52.69 1a8r s ASP 118 Cb -0.14 -1.80 0.02 0.00 -0.30 0.00 0.00 42.92 40.70 1a8r s ASP 118 CO -0.10 0.03 0.37 0.61 -0.17 0.00 0.00 175.17 175.91 1a8r n GLY 119 N 4.47 1.99 2.96 2.66 0.00 -0.00 -0.12 105.19 117.15 1a8r n GLY 119 Ca -0.17 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.26 0.13 0.10 1.61 1.02 0.55 -1.11 119.74 119.78 1a8r s LYS 120 Ca 0.13 -0.01 0.10 0.00 0.02 0.00 0.00 55.97 56.21 1a8r s LYS 120 Cb -0.02 0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 1a8r s LYS 120 CO 0.09 -0.02 -0.23 0.00 -0.92 0.00 0.00 175.35 174.27 1a8r s ALA 121 N -0.20 2.47 -0.11 5.17 0.00 -0.24 -1.22 121.76 127.61 1a8r s ALA 121 Ca -0.03 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.57 1a8r s ALA 121 Cb -0.02 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1a8r s ALA 121 CO 0.00 0.56 -0.11 0.99 0.00 0.00 0.00 175.76 177.20 1a8r s THR 122 N -1.02 1.24 -0.08 0.00 2.01 0.90 -1.08 115.64 117.61 1a8r s THR 122 Ca 0.15 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.72 1a8r s THR 122 Cb -0.10 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.23 1a8r s THR 122 CO 0.06 0.40 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.52 1a8r s VAL 123 N 1.35 1.56 0.10 3.82 1.01 -0.16 -0.51 120.40 127.56 1a8r s VAL 123 Ca -0.01 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1a8r s VAL 123 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1a8r s VAL 123 CO -0.05 0.45 -0.12 0.00 0.00 0.00 0.00 175.10 175.38 1a8r s ALA 124 N 0.48 1.22 -0.04 5.51 0.00 -0.62 -0.15 121.76 128.15 1a8r s ALA 124 Ca -0.16 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 1a8r s ALA 124 Cb -0.16 -0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.01 1a8r s ALA 124 CO 0.06 0.04 0.74 1.52 0.00 0.00 0.00 175.76 178.12 1a8r s TYR 125 N -2.08 -0.57 -0.34 0.00 1.13 -0.85 -0.46 117.35 114.17 1a8r s TYR 125 Ca 0.04 0.87 -0.11 0.00 -1.41 0.00 0.00 57.07 56.47 1a8r s TYR 125 Cb -0.05 0.45 0.01 0.00 -1.10 0.00 0.00 41.96 41.26 1a8r s TYR 125 CO 0.01 -0.59 0.19 0.42 -2.51 0.00 0.00 175.55 173.07 1a8r s ILE 126 N -1.64 4.67 0.22 -3.49 1.01 -0.79 -0.67 121.20 120.51 1a8r s ILE 126 Ca -0.07 -0.59 -0.32 0.00 0.00 0.00 0.00 60.65 59.67 1a8r s ILE 126 Cb -0.00 -3.48 -0.14 0.00 0.01 0.00 0.00 42.46 38.85 1a8r s ILE 126 CO 0.04 -0.08 1.44 -2.65 0.00 0.00 0.00 174.94 173.69 1a8r n PRO 127 N 5.00 2.02 0.00 2.79 -0.02 -1.26 -4.87 135.00 138.67 1a8r n PRO 127 Ca -0.13 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1a8r n PRO 127 Cb 0.48 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1a8r n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1a8r n LYS 128 N 2.30 0.00 -0.00 -0.52 4.81 -1.26 -4.58 118.16 118.91 1a8r n LYS 128 Ca 0.13 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.63 1a8r n LYS 128 Cb 0.31 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.23 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 0.26 -4.21 3.14 8.00 -1.26 -4.81 116.55 117.66 1a8r n ASP 129 Ca 0.00 0.10 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 1a8r n ASP 129 Cb 0.00 1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 42.32 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 -4.99 1.49 -0.16 -2.24 1.04 -1.26 -1.10 113.70 106.47 1a8r s SER 130 Ca -0.06 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.36 1a8r s SER 130 Cb 0.11 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1a8r s SER 130 CO 0.86 -0.39 -0.17 -0.69 0.98 0.00 0.00 173.24 173.83 1a8r s VAL 131 N -3.46 2.46 0.44 5.02 1.01 0.84 -4.76 120.40 121.96 1a8r s VAL 131 Ca 0.15 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 1a8r s VAL 131 Cb 0.04 -2.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.31 1a8r s VAL 131 CO -0.02 0.52 0.88 -0.51 0.00 0.00 0.00 175.10 175.97 1a8r s ILE 132 N 0.97 4.62 0.17 2.22 2.07 -1.26 -0.33 121.20 129.67 1a8r s ILE 132 Ca -0.03 1.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.91 1a8r s ILE 132 Cb -0.15 -3.70 -0.09 0.00 0.13 0.00 0.00 42.46 38.65 1a8r s ILE 132 CO -0.03 -0.53 1.46 -0.83 -1.91 0.00 0.00 174.94 173.10 1a8r s GLY 133 N -2.91 1.94 0.20 1.50 0.00 -0.73 -4.91 107.32 102.40 1a8r s GLY 133 Ca 0.56 1.26 -0.14 0.00 0.00 0.00 0.00 44.72 46.40 1a8r s GLY 133 CO 0.28 2.42 1.65 1.41 0.00 0.00 0.00 173.10 178.85 1a8r h LEU 134 N 6.27 -0.45 -2.16 0.66 3.38 -1.94 -1.52 115.31 119.54 1a8r h LEU 134 Ca -0.43 0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1a8r h LEU 134 Cb 1.21 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1a8r h LEU 134 CO 0.86 -0.16 0.08 0.77 0.09 0.00 0.00 178.44 180.07 1a8r h SER 135 N 0.03 0.00 -0.38 -0.43 4.64 -2.00 -1.92 113.55 113.48 1a8r h SER 135 Ca 0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1a8r h SER 135 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1a8r h SER 135 CO -0.55 0.00 0.22 0.11 -0.87 0.00 0.00 176.83 175.73 1a8r h LYS 136 N 0.00 0.55 -0.57 4.77 1.79 -1.64 0.72 116.57 122.18 1a8r h LYS 136 Ca 0.05 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1a8r h LYS 136 Cb 0.21 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1a8r h LYS 136 CO -0.00 0.41 0.01 0.82 -1.08 0.00 0.00 179.45 179.61 1a8r h ILE 137 N 0.56 1.26 -0.19 1.86 2.04 -1.42 -0.08 117.51 121.54 1a8r h ILE 137 Ca 0.14 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 1a8r h ILE 137 Cb 0.02 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1a8r h ILE 137 CO -0.02 0.40 -0.00 0.78 0.00 0.00 0.00 178.15 179.30 1a8r h ASN 138 N 0.89 0.33 -0.83 1.72 2.35 -1.26 -2.11 115.58 116.67 1a8r h ASN 138 Ca 0.16 -0.31 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1a8r h ASN 138 Cb 0.53 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.76 1a8r h ASN 138 CO 0.03 0.56 0.54 0.03 -1.65 0.00 0.00 177.43 176.94 1a8r h ARG 139 N 0.10 1.04 -0.22 0.81 3.08 -0.73 -1.13 114.38 117.32 1a8r h ARG 139 Ca 0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1a8r h ARG 139 Cb 0.39 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1a8r h ARG 139 CO 0.01 0.68 0.07 0.82 -1.07 0.00 0.00 179.97 180.49 1a8r h ILE 140 N 1.07 1.18 -0.51 2.04 2.04 -0.88 0.31 117.51 122.76 1a8r h ILE 140 Ca 0.32 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.68 1a8r h ILE 140 Cb -0.04 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1a8r h ILE 140 CO -0.10 0.18 0.17 0.58 0.00 0.00 0.00 178.15 178.99 1a8r h VAL 141 N 0.19 0.81 -0.11 1.67 2.07 -1.12 -1.03 116.25 118.73 1a8r h VAL 141 Ca 0.07 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1a8r h VAL 141 Cb 0.22 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1a8r h VAL 141 CO -0.00 0.06 -0.34 1.56 0.02 0.00 0.00 177.57 178.87 1a8r h GLN 142 N 0.35 0.21 0.41 1.57 1.08 -0.81 -1.37 115.11 116.55 1a8r h GLN 142 Ca 0.25 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 1a8r h GLN 142 Cb 0.28 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1a8r h GLN 142 CO -0.26 0.53 -0.20 0.35 -0.95 0.00 0.00 178.83 178.30 1a8r h PHE 143 N 0.18 -0.51 0.00 2.96 3.57 0.92 -1.13 116.94 122.93 1a8r h PHE 143 Ca 0.02 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1a8r h PHE 143 Cb 0.70 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1a8r h PHE 143 CO 0.01 -0.30 -0.26 0.74 -2.23 0.00 0.00 178.31 176.28 1a8r h PHE 144 N -0.59 0.00 -0.11 0.41 0.04 -1.39 -3.03 116.94 112.27 1a8r h PHE 144 Ca -0.06 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.56 1a8r h PHE 144 Cb 0.45 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1a8r h PHE 144 CO -0.04 0.26 -0.60 0.00 -0.60 0.00 0.00 178.31 177.33 1a8r h ALA 145 N 1.74 0.76 -0.02 2.45 0.00 -0.92 -3.35 119.26 119.91 1a8r h ALA 145 Ca -0.00 -0.54 -0.71 0.00 0.00 0.00 0.00 54.91 53.66 1a8r h ALA 145 Cb 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1a8r h ALA 145 CO 0.03 0.72 3.09 1.04 0.00 0.00 0.00 179.25 184.13 1a8r n GLN 146 N -3.90 2.82 -3.52 0.00 1.13 -0.46 -4.17 117.38 109.28 1a8r n GLN 146 Ca -0.03 -2.59 -0.08 0.00 -1.94 0.00 0.00 57.00 52.36 1a8r n GLN 146 Cb 0.62 -3.28 -0.02 0.00 0.11 0.00 0.00 30.24 27.67 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 3.29 0.89 -0.00 -1.09 0.52 -1.01 -0.39 118.95 121.15 1a8r s ARG 147 Ca 0.48 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 55.04 1a8r s ARG 147 Cb 0.14 0.40 -0.06 0.00 0.52 0.00 0.00 34.95 35.94 1a8r s ARG 147 CO -0.08 -0.39 1.51 -2.14 0.02 0.00 0.00 175.30 174.22 1a8r s PRO 148 N -3.18 4.24 0.35 3.54 0.02 -1.26 -3.88 135.00 134.82 1a8r s PRO 148 Ca 0.05 2.09 0.05 0.00 0.02 0.00 0.00 61.00 63.21 1a8r s PRO 148 Cb -0.01 -3.68 -0.07 0.00 0.02 0.00 0.00 34.50 30.76 1a8r s PRO 148 CO -0.08 -0.68 0.05 -0.65 -0.33 0.00 0.00 177.00 175.30 1a8r s GLN 149 N 2.88 1.74 -0.18 5.54 -1.52 0.72 -4.69 119.66 124.15 1a8r s GLN 149 Ca 0.68 -1.97 -0.01 0.00 -1.95 0.00 0.00 55.36 52.10 1a8r s GLN 149 Cb -0.33 -1.08 0.05 0.00 -0.22 0.00 0.00 33.01 31.43 1a8r s GLN 149 CO 0.28 -0.15 -0.01 0.08 -0.25 0.00 0.00 175.29 175.24 1a8r s VAL 150 N -3.14 0.84 0.33 1.09 1.01 -1.26 -1.25 120.40 118.03 1a8r s VAL 150 Ca 0.36 -0.60 0.12 0.00 0.00 0.00 0.00 61.98 61.86 1a8r s VAL 150 Cb 0.09 -1.17 0.32 0.00 0.00 0.00 0.00 36.38 35.62 1a8r s VAL 150 CO 0.16 -0.03 1.70 -0.61 0.00 0.00 0.00 175.10 176.32 1a8r h GLN 151 N 8.17 0.45 -0.91 2.72 4.15 -1.99 0.17 115.11 127.87 1a8r h GLN 151 Ca -0.19 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 1a8r h GLN 151 Cb 1.11 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 1a8r h GLN 151 CO 0.36 0.29 0.55 0.93 -1.93 0.00 0.00 178.83 179.03 1a8r h GLU 152 N 0.46 1.23 -0.09 1.69 3.07 -2.00 -1.82 114.58 117.12 1a8r h GLU 152 Ca 0.69 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 59.38 1a8r h GLU 152 Cb 1.44 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1a8r h GLU 152 CO -0.53 0.86 -0.18 -0.09 -1.40 0.00 0.00 179.01 177.66 1a8r h ARG 153 N 1.25 0.29 -0.78 2.33 2.43 -1.16 -3.21 114.38 115.53 1a8r h ARG 153 Ca 0.33 -0.18 0.15 0.00 -0.81 0.00 0.00 59.98 59.46 1a8r h ARG 153 Cb -0.06 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.42 1a8r h ARG 153 CO -0.06 0.77 0.33 1.25 -1.51 0.00 0.00 179.97 180.75 1a8r h LEU 154 N -0.16 0.33 -0.70 3.80 5.85 -0.84 -0.23 115.31 123.37 1a8r h LEU 154 Ca 0.00 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1a8r h LEU 154 Cb 0.76 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1a8r h LEU 154 CO 0.04 0.13 0.15 0.74 -0.34 0.00 0.00 178.44 179.15 1a8r h THR 155 N 0.48 1.26 0.03 1.05 2.02 -1.38 -2.47 112.91 113.90 1a8r h THR 155 Ca 0.43 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1a8r h THR 155 Cb 0.65 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1a8r h THR 155 CO -0.40 0.38 -0.02 1.56 0.37 0.00 0.00 175.52 177.42 1a8r h GLN 156 N 1.07 -0.04 -0.52 6.66 1.08 -1.30 -2.37 115.11 119.69 1a8r h GLN 156 Ca 0.22 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.50 1a8r h GLN 156 Cb 0.41 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.78 1a8r h GLN 156 CO 0.01 0.11 0.16 1.96 -0.95 0.00 0.00 178.83 180.12 1a8r h GLN 157 N -0.19 0.31 -0.41 1.46 4.20 -0.96 -0.94 115.11 118.58 1a8r h GLN 157 Ca -0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1a8r h GLN 157 Cb 0.18 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1a8r h GLN 157 CO 0.01 0.20 0.09 0.82 -0.67 0.00 0.00 178.83 179.28 1a8r h ILE 158 N 0.32 1.23 0.44 2.54 2.04 -1.42 -1.08 117.51 121.58 1a8r h ILE 158 Ca 0.26 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1a8r h ILE 158 Cb 0.31 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1a8r h ILE 158 CO -0.29 0.28 -0.42 0.25 0.00 0.00 0.00 178.15 177.97 1a8r h LEU 159 N 0.52 -1.15 -0.33 1.44 5.85 -0.93 -0.74 115.31 119.96 1a8r h LEU 159 Ca 0.13 0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1a8r h LEU 159 Cb 0.33 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 1a8r h LEU 159 CO 0.00 -0.58 0.02 0.40 -0.34 0.00 0.00 178.44 177.94 1a8r h ILE 160 N -0.87 0.77 -0.35 4.05 1.08 -1.16 -0.56 117.51 120.47 1a8r h ILE 160 Ca -0.04 -0.04 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 1a8r h ILE 160 Cb 0.77 0.65 -0.06 0.00 -3.07 0.00 0.00 36.82 35.10 1a8r h ILE 160 CO -0.06 0.02 -0.06 0.00 -0.69 0.00 0.00 178.15 177.36 1a8r h ALA 161 N 1.28 0.25 -0.42 1.87 0.00 -1.01 -0.45 119.26 120.78 1a8r h ALA 161 Ca 0.16 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1a8r h ALA 161 Cb 0.21 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1a8r h ALA 161 CO -0.26 -0.45 0.12 -0.07 0.00 0.00 0.00 179.25 178.60 1a8r h LEU 162 N 0.02 0.62 -0.65 0.00 3.38 -0.72 -1.22 115.31 116.74 1a8r h LEU 162 Ca 0.17 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1a8r h LEU 162 Cb 0.25 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1a8r h LEU 162 CO -0.34 0.67 0.42 1.56 0.09 0.00 0.00 178.44 180.83 1a8r h GLN 163 N 0.53 0.81 0.36 1.13 4.20 -0.61 0.21 115.11 121.74 1a8r h GLN 163 Ca 0.13 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1a8r h GLN 163 Cb 0.28 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1a8r h GLN 163 CO -0.00 0.54 -0.28 1.15 -0.67 0.00 0.00 178.83 179.56 1a8r h THR 164 N 0.84 0.41 -0.68 -0.54 2.02 -0.91 0.14 112.91 114.18 1a8r h THR 164 Ca 0.25 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 1a8r h THR 164 Cb -0.05 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1a8r h THR 164 CO -0.07 0.00 0.32 -0.07 0.37 0.00 0.00 175.52 176.07 1a8r h LEU 165 N -0.65 0.88 0.00 2.58 3.38 -0.87 -2.98 115.31 117.65 1a8r h LEU 165 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1a8r h LEU 165 Cb 0.56 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1a8r h LEU 165 CO -0.01 0.74 -0.54 0.18 0.09 0.00 0.00 178.44 178.90 1a8r n LEU 166 N -4.34 0.53 -3.04 1.67 4.77 0.70 -4.97 117.00 112.33 1a8r n LEU 166 Ca 0.06 0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 1a8r n LEU 166 Cb 0.14 -0.23 0.07 0.00 -2.33 0.00 0.00 43.42 41.06 1a8r n LEU 166 CO 0.39 0.10 0.18 0.61 -1.33 0.00 0.00 177.39 177.33 1a8r n GLY 167 N 1.47 -0.27 3.46 -0.72 0.00 0.47 -4.73 105.19 104.88 1a8r n GLY 167 Ca 0.05 0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.27 0.01 -0.56 2.61 2.01 -1.04 -4.88 115.64 110.51 1a8r s THR 168 Ca 0.37 -0.08 0.24 0.00 0.31 0.00 0.00 61.69 62.52 1a8r s THR 168 Cb -0.16 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1a8r s THR 168 CO 0.60 -0.04 1.19 0.59 -0.69 0.00 0.00 174.62 176.27 1a8r n ASN 169 N 1.85 0.70 -4.14 3.53 3.02 -1.26 -4.29 115.26 114.66 1a8r n ASN 169 Ca -0.17 0.07 -0.36 0.00 -0.03 0.00 0.00 54.58 54.09 1a8r n ASN 169 Cb 0.56 0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 40.07 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 -2.17 3.00 -3.93 6.41 3.02 -1.26 -1.59 115.26 118.74 1a8r n ASN 170 Ca 0.02 -2.71 -0.10 0.00 -0.03 0.00 0.00 54.58 51.76 1a8r n ASN 170 Cb 0.46 -1.47 -0.11 0.00 -0.61 0.00 0.00 39.78 38.05 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 7.69 0.08 -0.01 2.41 1.01 -1.23 -1.88 120.40 128.47 1a8r s VAL 171 Ca 0.62 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 1a8r s VAL 171 Cb 0.07 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.19 1a8r s VAL 171 CO 0.12 -0.38 0.01 0.00 0.00 0.00 0.00 175.10 174.85 1a8r s ALA 172 N -1.18 0.02 -0.03 5.51 0.00 0.39 -0.68 121.76 125.79 1a8r s ALA 172 Ca -0.13 0.12 0.03 0.00 0.00 0.00 0.00 51.96 51.98 1a8r s ALA 172 Cb -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1a8r s ALA 172 CO -0.00 -0.04 -0.12 0.08 0.00 0.00 0.00 175.76 175.68 1a8r s VAL 173 N 0.40 1.02 -0.01 0.00 1.01 0.23 -1.59 120.40 121.45 1a8r s VAL 173 Ca -0.03 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1a8r s VAL 173 Cb -0.05 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1a8r s VAL 173 CO -0.01 0.31 -0.02 -0.55 0.00 0.00 0.00 175.10 174.83 1a8r s SER 174 N 0.13 0.41 -0.03 3.32 0.15 0.33 -0.70 113.70 117.30 1a8r s SER 174 Ca -0.03 -0.05 0.02 0.00 0.70 0.00 0.00 55.95 56.59 1a8r s SER 174 Cb -0.10 -0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1a8r s SER 174 CO 0.01 -0.02 -0.10 -0.63 1.20 0.00 0.00 173.24 173.71 1a8r s ILE 175 N 0.37 0.85 -0.10 6.45 1.01 -0.30 -0.07 121.20 129.41 1a8r s ILE 175 Ca -0.04 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1a8r s ILE 175 Cb -0.06 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.64 1a8r s ILE 175 CO -0.01 0.27 -0.21 -0.62 0.00 0.00 0.00 174.94 174.38 1a8r s ASP 176 N 0.31 2.76 0.11 3.58 2.15 -0.36 -1.13 116.67 124.10 1a8r s ASP 176 Ca -0.05 -0.50 -0.18 0.00 0.43 0.00 0.00 52.55 52.24 1a8r s ASP 176 Cb -0.10 -1.27 0.04 0.00 -0.30 0.00 0.00 42.92 41.30 1a8r s ASP 176 CO 0.01 0.11 0.45 0.00 -0.17 0.00 0.00 175.17 175.57 1a8r s ALA 177 N 0.52 -1.11 -0.17 3.66 0.00 0.13 -0.33 121.76 124.46 1a8r s ALA 177 Ca -0.16 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1a8r s ALA 177 Cb -0.17 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 1a8r s ALA 177 CO 0.06 -0.63 -0.02 0.08 0.00 0.00 0.00 175.76 175.25 1a8r s VAL 178 N -3.49 3.96 -0.32 0.00 1.01 0.84 -0.44 120.40 121.95 1a8r s VAL 178 Ca 0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1a8r s VAL 178 Cb 0.01 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1a8r s VAL 178 CO -0.10 0.47 0.14 -1.00 0.00 0.00 0.00 175.10 174.62 1a8r s HIS 179 N 0.56 3.18 -1.01 5.22 3.76 -1.26 -0.95 115.29 124.79 1a8r s HIS 179 Ca -0.02 -0.75 0.08 0.00 -0.15 0.00 0.00 55.06 54.22 1a8r s HIS 179 Cb -0.14 -2.34 0.33 0.00 1.11 0.00 0.00 32.58 31.53 1a8r s HIS 179 CO 0.02 -0.52 1.24 0.66 -0.85 0.00 0.00 174.74 175.30 1a8r n TYR 180 N 4.95 0.00 0.98 1.40 4.01 -0.59 -0.44 117.16 127.48 1a8r n TYR 180 Ca -0.14 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.74 1a8r n TYR 180 Cb 0.48 -0.50 0.53 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.53 1.32 0.07 0.00 0.31 0.42 -4.36 118.33 114.56 1a8r n VAL 182 Ca 0.07 -0.44 -0.07 0.00 -0.01 0.00 0.00 64.34 63.88 1a8r n VAL 182 Cb 0.34 -1.50 -0.04 0.00 -0.91 0.00 0.00 33.84 31.73 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 -0.32 -0.26 -0.78 5.55 3.64 -1.29 -1.06 116.57 122.04 1a8r h LYS 183 Ca -0.55 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1a8r h LYS 183 Cb 1.70 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1a8r h LYS 183 CO -0.19 -0.03 0.01 0.00 -2.27 0.00 0.00 179.45 176.97 1a8r n ALA 184 N -2.70 3.27 -3.67 5.00 0.00 -0.52 -3.65 120.51 118.25 1a8r n ALA 184 Ca -0.05 -1.04 -0.04 0.00 0.00 0.00 0.00 53.44 52.31 1a8r n ALA 184 Cb 0.18 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.95 0.94 6.38 0.00 3.52 -1.24 -4.97 118.95 121.62 1a8r s ARG 185 Ca 0.29 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1a8r s ARG 185 Cb 0.23 0.34 0.00 0.00 -1.56 0.00 0.00 34.95 33.96 1a8r s ARG 185 CO 0.09 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.56 1a8r n GLY 186 N -0.40 2.71 0.28 8.12 0.00 -1.26 -0.71 105.19 113.92 1a8r n GLY 186 Ca -0.07 0.31 0.15 0.00 0.00 0.00 0.00 46.02 46.41 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 0.33 -6.18 -0.61 6.09 -1.85 -3.47 117.51 111.83 1a8r h ILE 187 Ca 0.00 -0.49 -0.43 0.00 -1.37 0.00 0.00 64.86 62.57 1a8r h ILE 187 Cb 0.00 1.36 0.05 0.00 0.47 0.00 0.00 36.82 38.70 1a8r h ILE 187 CO 0.00 0.08 -0.87 0.54 -3.07 0.00 0.00 178.15 174.83 1a8r n ARG 188 N -3.39 -3.43 -3.00 2.19 1.74 0.11 -4.91 116.66 105.97 1a8r n ARG 188 Ca -0.01 0.54 -0.43 0.00 -0.77 0.00 0.00 57.85 57.18 1a8r n ARG 188 Cb 0.24 -4.80 -0.05 0.00 -1.02 0.00 0.00 32.46 26.83 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 -4.09 6.32 0.43 0.55 -1.08 -0.51 -4.90 116.67 113.38 1a8r s ASP 189 Ca 0.15 -0.45 0.29 0.00 -0.52 0.00 0.00 52.55 52.01 1a8r s ASP 189 Cb -0.05 -2.37 1.04 0.00 -1.46 0.00 0.00 42.92 40.09 1a8r s ASP 189 CO 0.84 -1.00 1.83 0.00 0.52 0.00 0.00 175.17 177.37 1a8r h ALA 190 N 9.08 1.00 0.00 3.66 0.00 -1.87 -3.35 119.26 127.79 1a8r h ALA 190 Ca -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1a8r h ALA 190 Cb 1.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1a8r h ALA 190 CO 0.99 0.00 -1.87 0.25 0.00 0.00 0.00 179.25 178.62 1a8r n THR 191 N -2.81 0.44 -1.71 0.00 -2.24 -1.26 -5.04 114.28 101.67 1a8r n THR 191 Ca 0.02 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 60.97 1a8r n THR 191 Cb 0.34 -0.18 0.06 0.00 -2.10 0.00 0.00 70.33 68.45 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 -4.30 4.84 0.01 3.42 1.04 -1.26 -5.07 113.70 112.38 1a8r s SER 192 Ca -0.07 2.17 -0.09 0.00 0.48 0.00 0.00 55.95 58.45 1a8r s SER 192 Cb 0.08 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1a8r s SER 192 CO 0.66 -1.82 0.17 0.00 0.98 0.00 0.00 173.24 173.23 1a8r s ALA 193 N -2.10 -0.39 -0.08 5.32 0.00 -1.26 -4.80 121.76 118.45 1a8r s ALA 193 Ca 0.71 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1a8r s ALA 193 Cb -0.25 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1a8r s ALA 193 CO 0.41 -0.25 -0.16 0.99 0.00 0.00 0.00 175.76 176.75 1a8r s THR 194 N -1.63 2.90 -0.09 0.00 2.01 0.41 -4.91 115.64 114.33 1a8r s THR 194 Ca -0.13 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.16 1a8r s THR 194 Cb -0.06 -2.15 -0.00 0.00 0.01 0.00 0.00 72.50 70.30 1a8r s THR 194 CO 0.01 0.57 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.38 1a8r s THR 195 N -0.31 2.08 0.06 -0.82 2.01 -1.26 -0.69 115.64 116.72 1a8r s THR 195 Ca 0.02 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.05 1a8r s THR 195 Cb -0.13 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1a8r s THR 195 CO 0.03 0.56 -0.15 0.42 -0.69 0.00 0.00 174.62 174.79 1a8r s THR 196 N 0.21 1.21 0.02 -0.82 -4.23 -0.28 -4.99 115.64 106.76 1a8r s THR 196 Ca -0.15 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1a8r s THR 196 Cb -0.17 -1.12 -0.02 0.00 1.34 0.00 0.00 72.50 72.53 1a8r s THR 196 CO 0.08 -0.10 -0.04 0.42 -0.54 0.00 0.00 174.62 174.43 1a8r s THR 197 N -1.08 0.24 -0.20 3.99 -4.23 -1.26 -1.15 115.64 111.95 1a8r s THR 197 Ca 0.01 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 59.67 1a8r s THR 197 Cb -0.09 -0.34 0.06 0.00 1.34 0.00 0.00 72.50 73.47 1a8r s THR 197 CO 0.02 -0.37 0.05 -0.44 -0.54 0.00 0.00 174.62 173.34 1a8r s SER 198 N -1.24 2.87 -0.14 3.99 0.01 0.12 -4.97 113.70 114.34 1a8r s SER 198 Ca -0.11 -0.83 -0.03 0.00 1.31 0.00 0.00 55.95 56.28 1a8r s SER 198 Cb -0.08 -0.53 -0.03 0.00 0.21 0.00 0.00 66.02 65.58 1a8r s SER 198 CO -0.00 -0.32 -0.02 -0.76 0.41 0.00 0.00 173.24 172.54 1a8r s LEU 199 N 1.91 3.35 0.21 2.44 1.43 -1.26 -0.60 118.68 126.15 1a8r s LEU 199 Ca 0.00 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1a8r s LEU 199 Cb -0.17 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 1a8r s LEU 199 CO -0.10 0.21 -0.15 -0.83 0.23 0.00 0.00 176.35 175.72 1a8r s GLY 200 N 0.09 1.48 0.00 -3.19 0.00 0.14 -4.52 107.32 101.33 1a8r s GLY 200 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1a8r s GLY 200 CO 0.02 -1.78 0.00 0.61 0.00 0.00 0.00 173.10 171.96 1a8r n GLY 201 N -0.39 2.99 0.38 0.20 0.00 -0.62 -1.81 105.19 105.94 1a8r n GLY 201 Ca -0.08 -0.16 0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 0.34 -2.38 0.99 3.38 -1.93 0.52 115.31 116.22 1a8r h LEU 202 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1a8r h LEU 202 Cb 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1a8r h LEU 202 CO 0.00 0.18 -0.01 -0.26 0.09 0.00 0.00 178.44 178.43 1a8r h PHE 203 N 0.36 0.00 0.00 1.13 0.04 -1.61 0.55 116.94 117.41 1a8r h PHE 203 Ca 0.34 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.90 1a8r h PHE 203 Cb 0.83 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.95 1a8r h PHE 203 CO -0.00 0.01 -1.61 1.17 -0.60 0.00 0.00 178.31 177.28 1a8r n LYS 204 N -3.18 0.55 0.27 1.51 3.00 -0.01 -4.24 118.16 116.07 1a8r n LYS 204 Ca -0.02 0.30 -0.15 0.00 -0.00 0.00 0.00 58.31 58.45 1a8r n LYS 204 Cb 0.16 -1.52 -0.08 0.00 0.00 0.00 0.00 35.03 33.60 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 -0.59 -3.64 3.14 0.02 -0.87 -3.43 113.55 107.18 1a8r h SER 205 Ca -0.33 -0.06 -0.59 0.00 -0.84 0.00 0.00 61.79 59.97 1a8r h SER 205 Cb 1.24 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 63.83 1a8r h SER 205 CO -0.20 -0.27 0.64 -0.55 -1.14 0.00 0.00 176.83 175.31 1a8r s SER 206 N -4.72 6.55 0.46 3.07 0.15 0.19 -4.91 113.70 114.48 1a8r s SER 206 Ca -0.15 0.24 0.17 0.00 0.70 0.00 0.00 55.95 56.91 1a8r s SER 206 Cb 0.02 -2.47 1.08 0.00 -1.71 0.00 0.00 66.02 62.94 1a8r s SER 206 CO 0.53 -1.05 2.00 -0.61 1.20 0.00 0.00 173.24 175.31 1a8r h GLN 207 N 9.01 0.00 0.26 5.44 4.15 -1.83 0.23 115.11 132.37 1a8r h GLN 207 Ca -0.24 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 1a8r h GLN 207 Cb 1.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1a8r h GLN 207 CO 1.04 0.18 -0.13 -0.97 -1.93 0.00 0.00 178.83 177.02 1a8r h ASN 208 N 0.00 -0.30 -0.51 -0.69 -1.24 -1.91 -0.61 115.58 110.33 1a8r h ASN 208 Ca -0.00 -0.08 -0.10 0.00 0.71 0.00 0.00 56.30 56.82 1a8r h ASN 208 Cb 0.34 0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 1a8r h ASN 208 CO 0.02 -0.10 -0.09 0.74 -1.29 0.00 0.00 177.43 176.72 1a8r h THR 209 N -0.49 1.27 0.03 -3.57 2.02 -1.69 -2.81 112.91 107.67 1a8r h THR 209 Ca -0.04 -1.22 0.02 0.00 0.77 0.00 0.00 66.41 65.94 1a8r h THR 209 Cb 0.36 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1a8r h THR 209 CO 0.06 0.43 -0.15 -0.09 0.37 0.00 0.00 175.52 176.13 1a8r h ARG 210 N 0.82 -0.26 0.00 6.66 2.43 -0.46 -2.26 114.38 121.31 1a8r h ARG 210 Ca 0.13 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1a8r h ARG 210 Cb 0.64 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1a8r h ARG 210 CO 0.04 -0.17 -0.19 0.45 -1.51 0.00 0.00 179.97 178.59 1a8r h HIS 211 N -0.27 0.00 -0.27 2.20 3.86 -1.12 -0.83 115.15 118.73 1a8r h HIS 211 Ca 0.04 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1a8r h HIS 211 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1a8r h HIS 211 CO -0.20 0.19 -0.13 0.93 0.86 0.00 0.00 177.93 179.59 1a8r h GLU 212 N 0.00 0.56 0.21 2.45 5.08 -1.21 -0.67 114.58 120.99 1a8r h GLU 212 Ca -0.00 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1a8r h GLU 212 Cb 0.62 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1a8r h GLU 212 CO 0.03 0.81 -0.10 0.35 -1.00 0.00 0.00 179.01 179.09 1a8r h PHE 213 N 0.29 -0.26 -0.59 4.33 3.57 -1.05 -2.35 116.94 120.88 1a8r h PHE 213 Ca 0.06 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1a8r h PHE 213 Cb 0.64 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1a8r h PHE 213 CO 0.06 0.04 0.39 -0.07 -2.23 0.00 0.00 178.31 176.50 1a8r h LEU 214 N -0.57 0.60 -0.27 0.59 3.38 -1.16 -1.89 115.31 115.99 1a8r h LEU 214 Ca -0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1a8r h LEU 214 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1a8r h LEU 214 CO 0.05 0.41 0.06 -0.09 0.09 0.00 0.00 178.44 178.96 1a8r h ARG 215 N 0.70 0.43 0.00 1.13 2.43 -1.10 -2.90 114.38 115.06 1a8r h ARG 215 Ca 0.23 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1a8r h ARG 215 Cb 0.07 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1a8r h ARG 215 CO -0.06 0.53 -0.04 0.00 -1.51 0.00 0.00 179.97 178.89 1a8r h ALA 216 N 0.88 1.74 -2.79 2.80 0.00 -0.80 -3.44 119.26 117.65 1a8r h ALA 216 Ca 0.08 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 1a8r h ALA 216 Cb 0.30 -0.01 0.08 0.00 0.00 0.00 0.00 17.79 18.16 1a8r h ALA 216 CO 0.00 0.05 0.84 0.08 0.00 0.00 0.00 179.25 180.22 1a8r s VAL 217 N -4.79 2.26 -0.22 0.00 1.01 -0.85 -4.34 120.40 113.47 1a8r s VAL 217 Ca -0.05 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 1a8r s VAL 217 Cb 0.16 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1a8r s VAL 217 CO 0.63 0.04 0.00 -1.14 0.00 0.00 0.00 175.10 174.63 1a8r n ARG 218 N 2.11 -2.56 -3.87 2.72 3.00 -1.26 -5.03 116.66 111.77 1a8r n ARG 218 Ca 0.07 2.18 -0.30 0.00 -0.00 0.00 0.00 57.85 59.80 1a8r n ARG 218 Cb 0.38 -4.17 -0.15 0.00 0.00 0.00 0.00 32.46 28.52 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 -1.17 2.34 -0.34 -0.14 3.76 -1.26 -5.08 115.29 113.40 1a8r s HIS 219 Ca -0.00 -1.94 -0.35 0.00 -0.15 0.00 0.00 55.06 52.62 1a8r s HIS 219 Cb 0.00 -1.86 -0.11 0.00 1.11 0.00 0.00 32.58 31.71 1a8r s HIS 219 CO 0.57 -0.83 2.18 0.72 -0.85 0.00 0.00 174.74 176.52 1a8r n HIS 220 N 4.67 1.63 -0.20 1.40 8.25 -1.26 -5.04 115.22 124.68 1a8r n HIS 220 Ca -0.05 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1a8r n HIS 220 Cb 0.43 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 29.00 1a8r n HIS 220 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07