#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 -4.75 3.54 2.88 -1.26 -5.15 113.62 108.88 1a8r n SER 2 Ca 0.00 -0.59 -0.35 0.00 -1.33 0.00 0.00 58.87 56.59 1a8r n SER 2 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 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 3.59 0.94 2.46 1.43 -1.26 -5.01 118.68 120.84 1a8r s LEU 3 Ca 0.00 2.35 -0.12 0.00 -1.03 0.00 0.00 54.13 55.33 1a8r s LEU 3 Cb 0.00 -4.59 0.16 0.00 0.03 0.00 0.00 46.19 41.78 1a8r s LEU 3 CO 0.00 -1.69 1.11 -0.94 0.23 0.00 0.00 176.35 175.06 1a8r s SER 4 N -1.74 3.15 0.14 2.29 1.04 -1.26 -4.82 113.70 112.50 1a8r s SER 4 Ca 0.76 1.12 -0.17 0.00 0.48 0.00 0.00 55.95 58.14 1a8r s SER 4 Cb -0.29 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.07 1a8r s SER 4 CO 0.35 -2.79 1.75 0.11 0.98 0.00 0.00 173.24 173.64 1a8r h LYS 5 N -1.66 0.50 -0.34 4.02 1.57 -2.00 -1.73 116.57 116.93 1a8r h LYS 5 Ca -0.52 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1a8r h LYS 5 Cb 1.32 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1a8r h LYS 5 CO 0.59 0.40 0.22 0.93 -0.57 0.00 0.00 179.45 181.02 1a8r h GLU 6 N 0.47 0.46 -0.29 3.15 3.07 -1.98 -1.19 114.58 118.27 1a8r h GLU 6 Ca 0.13 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.02 1a8r h GLU 6 Cb 0.04 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 27.78 1a8r h GLU 6 CO -0.02 0.32 -0.11 0.00 -1.40 0.00 0.00 179.01 177.80 1a8r h ALA 7 N 1.11 0.14 0.09 3.43 0.00 -1.85 -0.12 119.26 122.07 1a8r h ALA 7 Ca 0.13 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1a8r h ALA 7 Cb -0.03 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1a8r h ALA 7 CO -0.03 -0.50 -0.14 0.00 0.00 0.00 0.00 179.25 178.59 1a8r h ALA 8 N 1.21 -0.24 -0.15 0.00 0.00 -0.96 -0.53 119.26 118.60 1a8r h ALA 8 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1a8r h ALA 8 Cb 0.27 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1a8r h ALA 8 CO -0.32 -0.66 -0.00 -0.07 0.00 0.00 0.00 179.25 178.19 1a8r h LEU 9 N -0.28 -0.06 0.29 0.00 3.38 -0.89 -0.60 115.31 117.15 1a8r h LEU 9 Ca 0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1a8r h LEU 9 Cb 0.29 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1a8r h LEU 9 CO -0.07 -0.01 -0.21 0.58 0.09 0.00 0.00 178.44 178.82 1a8r h VAL 10 N 0.05 0.56 -0.64 1.22 2.07 -0.93 0.60 116.25 119.17 1a8r h VAL 10 Ca 0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 1a8r h VAL 10 Cb 0.08 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 1a8r h VAL 10 CO -0.12 0.00 0.24 -0.74 0.02 0.00 0.00 177.57 176.97 1a8r h HIS 11 N -0.50 0.41 -0.00 1.57 -0.00 -0.95 -0.44 115.15 115.24 1a8r h HIS 11 Ca -0.02 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1a8r h HIS 11 Cb 0.43 -0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1a8r h HIS 11 CO -0.11 0.09 0.00 0.93 -0.00 0.00 0.00 177.93 178.84 1a8r h GLU 12 N 0.41 0.00 -0.52 5.26 5.08 -0.83 -1.26 114.58 122.72 1a8r h GLU 12 Ca 0.33 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.79 1a8r h GLU 12 Cb 0.42 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.59 1a8r h GLU 12 CO -0.33 0.08 0.04 0.00 -1.00 0.00 0.00 179.01 177.80 1a8r h ALA 13 N 0.93 0.54 -0.19 3.43 0.00 0.04 0.28 119.26 124.29 1a8r h ALA 13 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a8r h ALA 13 Cb 0.07 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1a8r h ALA 13 CO -0.00 -0.36 0.10 -0.07 0.00 0.00 0.00 179.25 178.92 1a8r h LEU 14 N 0.17 0.24 -0.48 0.00 3.38 -0.93 -1.84 115.31 115.85 1a8r h LEU 14 Ca 0.27 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1a8r h LEU 14 Cb 0.40 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1a8r h LEU 14 CO -0.40 0.28 0.19 0.58 0.09 0.00 0.00 178.44 179.18 1a8r h VAL 15 N 0.19 0.88 -0.65 1.22 2.07 -0.52 -0.34 116.25 119.10 1a8r h VAL 15 Ca 0.07 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1a8r h VAL 15 Cb 0.10 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 1a8r h VAL 15 CO -0.01 0.07 0.30 0.00 0.02 0.00 0.00 177.57 177.95 1a8r h ALA 16 N 1.30 0.87 -0.01 1.67 0.00 -0.68 0.41 119.26 122.81 1a8r h ALA 16 Ca 0.22 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1a8r h ALA 16 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1a8r h ALA 16 CO -0.20 -0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.49 1a8r n ARG 17 N -4.91 1.15 -2.42 0.00 3.00 -0.65 -4.89 116.66 107.95 1a8r n ARG 17 Ca 0.09 -0.21 -0.19 0.00 -0.01 0.00 0.00 57.85 57.53 1a8r n ARG 17 Cb 0.25 -1.46 -0.01 0.00 0.00 0.00 0.00 32.46 31.25 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 1.00 -0.42 0.56 -0.13 0.00 0.13 -4.88 105.19 101.45 1a8r n GLY 18 Ca 0.21 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.84 2.16 -4.77 0.99 4.77 -0.29 -5.00 117.00 112.03 1a8r n LEU 19 Ca -0.22 -0.79 -0.40 0.00 -0.03 0.00 0.00 56.01 54.57 1a8r n LEU 19 Cb 0.67 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1a8r n LEU 19 CO 0.28 0.40 1.02 -1.61 -1.33 0.00 0.00 177.39 176.15 1a8r s GLU 20 N -2.41 3.97 0.32 3.23 0.41 -1.24 -4.83 118.70 118.16 1a8r s GLU 20 Ca 0.20 2.31 -0.29 0.00 -0.41 0.00 0.00 54.97 56.78 1a8r s GLU 20 Cb 0.18 -2.81 -0.11 0.00 -1.78 0.00 0.00 34.13 29.61 1a8r s GLU 20 CO 0.54 -0.54 1.46 0.99 -0.49 0.00 0.00 175.26 177.21 1a8r s THR 21 N -1.20 2.33 -0.80 3.63 2.01 -1.26 -4.77 115.64 115.57 1a8r s THR 21 Ca 0.56 0.31 -0.18 0.00 0.31 0.00 0.00 61.69 62.68 1a8r s THR 21 Cb -0.41 -3.19 -0.19 0.00 0.01 0.00 0.00 72.50 68.71 1a8r s THR 21 CO 0.54 0.06 2.10 -2.65 -0.69 0.00 0.00 174.62 173.99 1a8r n PRO 22 N 1.26 0.25 -4.87 4.92 -0.02 -1.26 -4.88 135.00 130.40 1a8r n PRO 22 Ca 0.03 -0.70 -0.25 0.00 -2.02 0.00 0.00 63.50 60.56 1a8r n PRO 22 Cb 0.40 -2.71 -0.15 0.00 -0.02 0.00 0.00 33.50 31.01 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 9.71 2.03 0.03 2.45 2.96 -1.26 -5.14 118.68 129.45 1a8r s LEU 23 Ca 0.89 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 54.35 1a8r s LEU 23 Cb -0.28 -0.93 -0.06 0.00 0.50 0.00 0.00 46.19 45.42 1a8r s LEU 23 CO 0.22 0.22 0.37 -0.13 -1.32 0.00 0.00 176.35 175.71 1a8r s ARG 24 N -0.41 3.79 0.66 1.98 0.52 -1.26 -5.07 118.95 119.16 1a8r s ARG 24 Ca 0.07 0.23 -0.17 0.00 -0.52 0.00 0.00 55.73 55.34 1a8r s ARG 24 Cb -0.07 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 1a8r s ARG 24 CO -0.01 0.64 1.14 -2.30 0.02 0.00 0.00 175.30 174.79 1a8r n PRO 25 N 1.38 0.90 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.25 1a8r n PRO 25 Ca -0.12 0.36 -0.20 0.00 -2.02 0.00 0.00 63.50 61.52 1a8r n PRO 25 Cb 0.53 -2.37 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.71 0.36 -0.14 0.52 -0.02 -1.26 -4.77 135.00 127.98 1a8r n PRO 26 Ca 0.15 -0.41 -0.02 0.00 -2.02 0.00 0.00 63.50 61.19 1a8r n PRO 26 Cb 0.48 -2.56 0.20 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 -2.86 -1.45 2.07 -2.04 -3.43 116.25 117.23 1a8r h VAL 27 Ca -0.01 -0.72 -0.14 0.00 0.82 0.00 0.00 66.70 66.65 1a8r h VAL 27 Cb 1.09 0.56 -0.26 0.00 -1.52 0.00 0.00 31.29 31.17 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 -5.33 -0.43 -1.49 1.57 3.76 -1.26 -5.05 115.29 107.06 1a8r s HIS 28 Ca -0.10 0.99 -0.10 0.00 -0.15 0.00 0.00 55.06 55.70 1a8r s HIS 28 Cb 0.16 0.15 0.01 0.00 1.11 0.00 0.00 32.58 34.01 1a8r s HIS 28 CO 0.80 -0.23 2.51 0.39 -0.85 0.00 0.00 174.74 177.36 1a8r n GLU 29 N 3.44 3.57 -3.32 1.40 1.02 -1.26 -4.92 120.64 120.56 1a8r n GLU 29 Ca -0.17 -2.68 -0.38 0.00 -0.02 0.00 0.00 57.16 53.90 1a8r n GLU 29 Cb 0.56 -2.94 -0.06 0.00 -0.02 0.00 0.00 31.44 28.98 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 1.76 4.24 0.32 3.49 1.75 -1.26 -5.03 119.30 124.57 1a8r s MET 30 Ca 0.57 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 6.33 0.44 1.11 -1.08 -1.26 -4.89 116.67 117.29 1a8r s ASP 31 Ca 0.27 3.01 0.26 0.00 -0.52 0.00 0.00 52.55 55.57 1a8r s ASP 31 Cb -0.16 -2.65 1.31 0.00 -1.46 0.00 0.00 42.92 39.96 1a8r s ASP 31 CO 0.13 -0.92 1.70 0.78 0.52 0.00 0.00 175.17 177.38 1a8r h ASN 32 N 4.27 0.29 -0.99 -0.34 4.21 -2.00 -1.52 115.58 119.51 1a8r h ASN 32 Ca -0.48 0.10 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 -0.05 0.64 -0.33 -1.29 0.00 0.00 177.43 177.16 1a8r h GLU 33 N 0.20 1.15 -0.27 0.81 5.08 -1.99 0.50 114.58 120.06 1a8r h GLU 33 Ca 0.70 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.83 1a8r h GLU 33 Cb 2.13 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 1a8r h GLU 33 CO -0.31 0.76 -0.50 1.15 -1.00 0.00 0.00 179.01 179.10 1a8r h THR 34 N 1.18 1.29 -0.15 1.13 2.02 -1.64 -0.65 112.91 116.09 1a8r h THR 34 Ca 0.42 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.90 1a8r h THR 34 Cb 0.13 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1a8r h THR 34 CO -0.16 0.55 0.08 0.03 0.37 0.00 0.00 175.52 176.39 1a8r h ARG 35 N 0.60 0.21 -0.80 6.66 3.08 -1.35 0.03 114.38 122.80 1a8r h ARG 35 Ca 0.02 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1a8r h ARG 35 Cb 1.08 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.03 1a8r h ARG 35 CO 0.11 0.22 0.49 0.87 -1.07 0.00 0.00 179.97 180.59 1a8r h LYS 36 N 0.14 0.90 -0.57 0.04 1.57 -0.78 0.22 116.57 118.09 1a8r h LYS 36 Ca 0.05 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1a8r h LYS 36 Cb 0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1a8r h LYS 36 CO -0.01 0.59 0.03 0.66 -0.57 0.00 0.00 179.45 180.15 1a8r h SER 37 N 0.92 0.97 -0.31 0.86 4.64 -0.77 0.83 113.55 120.69 1a8r h SER 37 Ca 0.34 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1a8r h SER 37 Cb 0.11 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1a8r h SER 37 CO -0.15 1.02 0.05 -0.07 -0.87 0.00 0.00 176.83 176.81 1a8r h LEU 38 N 0.88 0.49 -0.06 5.97 3.38 -0.18 -1.05 115.31 124.73 1a8r h LEU 38 Ca 0.17 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1a8r h LEU 38 Cb 0.51 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1a8r h LEU 38 CO 0.02 0.62 0.03 0.40 0.09 0.00 0.00 178.44 179.61 1a8r h ILE 39 N 0.33 1.08 -0.81 1.22 2.04 -0.48 -1.89 117.51 119.00 1a8r h ILE 39 Ca 0.09 -0.24 0.13 0.00 1.00 0.00 0.00 64.86 65.85 1a8r h ILE 39 Cb 0.34 1.12 -0.09 0.00 -0.74 0.00 0.00 36.82 37.46 1a8r h ILE 39 CO 0.01 0.07 0.42 0.00 0.00 0.00 0.00 178.15 178.64 1a8r h ALA 40 N 0.94 1.19 -0.00 1.87 0.00 -0.70 0.83 119.26 123.39 1a8r h ALA 40 Ca 0.02 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1a8r h ALA 40 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1a8r h ALA 40 CO -0.00 -0.06 -0.02 0.78 0.00 0.00 0.00 179.25 179.95 1a8r h GLY 41 N 0.64 -0.02 0.91 0.00 0.00 -0.76 0.13 103.07 103.97 1a8r h GLY 41 Ca 0.43 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.84 1a8r h GLY 41 CO -0.33 -0.03 0.57 0.45 0.00 0.00 0.00 176.54 177.21 1a8r h HIS 42 N -0.04 1.02 -0.38 5.60 -0.00 -0.29 -0.61 115.15 120.45 1a8r h HIS 42 Ca 0.01 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.29 1a8r h HIS 42 Cb 0.05 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 1a8r h HIS 42 CO -0.10 0.54 -0.25 0.52 -0.00 0.00 0.00 177.93 178.64 1a8r h MET 43 N 1.01 0.78 -0.08 2.45 2.86 -0.32 -1.24 114.93 120.39 1a8r h MET 43 Ca 0.37 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1a8r h MET 43 Cb 0.17 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1a8r h MET 43 CO -0.13 0.95 -0.02 1.15 1.06 0.00 0.00 176.91 179.92 1a8r h THR 44 N 0.68 0.91 0.21 2.22 2.02 0.44 -0.57 112.91 118.82 1a8r h THR 44 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1a8r h THR 44 Cb 0.77 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1a8r h THR 44 CO 0.06 0.00 -0.29 -0.33 0.37 0.00 0.00 175.52 175.33 1a8r h GLU 45 N -0.01 -0.54 -0.55 6.66 4.39 -0.95 -1.32 114.58 122.26 1a8r h GLU 45 Ca 0.04 0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.87 1a8r h GLU 45 Cb 0.06 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.76 1a8r h GLU 45 CO -0.08 -0.36 0.13 0.82 -1.16 0.00 0.00 179.01 178.36 1a8r h ILE 46 N -0.57 0.70 -0.58 3.13 2.04 -0.97 0.73 117.51 122.00 1a8r h ILE 46 Ca 0.01 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1a8r h ILE 46 Cb 0.55 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1a8r h ILE 46 CO -0.12 0.05 0.32 0.24 0.00 0.00 0.00 178.15 178.65 1a8r h MET 47 N 0.28 0.79 -0.42 2.37 2.86 -0.85 -0.74 114.93 119.20 1a8r h MET 47 Ca 0.28 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1a8r h MET 47 Cb 0.39 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1a8r h MET 47 CO -0.35 0.57 -0.14 1.96 1.06 0.00 0.00 176.91 180.01 1a8r h GLN 48 N 0.80 0.84 0.00 1.72 4.20 0.10 -0.97 115.11 121.79 1a8r h GLN 48 Ca 0.21 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1a8r h GLN 48 Cb 0.01 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1a8r h GLN 48 CO -0.04 0.98 -0.03 -0.07 -0.67 0.00 0.00 178.83 179.00 1a8r h LEU 49 N 0.67 0.00 -1.10 1.46 3.38 0.17 0.35 115.31 120.25 1a8r h LEU 49 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1a8r h LEU 49 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1a8r h LEU 49 CO 0.05 0.03 0.00 0.18 0.09 0.00 0.00 178.44 178.79 1a8r n LEU 50 N -3.54 1.70 -2.06 1.67 4.77 -0.39 -4.94 117.00 114.20 1a8r n LEU 50 Ca -0.02 -0.58 -0.18 0.00 -0.03 0.00 0.00 56.01 55.19 1a8r n LEU 50 Cb 0.14 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1a8r n LEU 50 CO 0.26 0.29 -0.23 0.59 -1.33 0.00 0.00 177.39 176.97 1a8r n ASN 51 N 0.33 -5.35 -4.76 -1.43 3.02 0.12 -4.99 115.26 102.20 1a8r n ASN 51 Ca 0.18 0.01 -0.39 0.00 -0.03 0.00 0.00 54.58 54.36 1a8r n ASN 51 Cb 0.38 -4.41 -0.06 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 -5.24 4.50 -0.94 3.41 1.43 -0.43 -4.97 118.68 116.44 1a8r s LEU 52 Ca 0.00 1.90 -0.21 0.00 -1.03 0.00 0.00 54.13 54.78 1a8r s LEU 52 Cb 0.00 -3.80 0.08 0.00 0.03 0.00 0.00 46.19 42.50 1a8r s LEU 52 CO 0.00 0.05 1.27 -0.62 0.23 0.00 0.00 176.35 177.28 1a8r s ASP 53 N -1.39 6.51 0.00 2.29 2.15 -1.26 -4.63 116.67 120.34 1a8r s ASP 53 Ca 0.45 -1.60 0.04 0.00 0.43 0.00 0.00 52.55 51.88 1a8r s ASP 53 Cb -0.22 -2.49 0.21 0.00 -0.30 0.00 0.00 42.92 40.12 1a8r s ASP 53 CO 0.28 -1.34 0.94 0.18 -0.17 0.00 0.00 175.17 175.06 1a8r n LEU 54 N 7.88 0.00 0.16 -1.34 4.77 -1.26 -1.64 117.00 125.56 1a8r n LEU 54 Ca 0.25 0.26 0.04 0.00 -0.03 0.00 0.00 56.01 56.53 1a8r n LEU 54 Cb 0.50 -0.26 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1a8r n LEU 54 CO 0.60 -0.22 0.54 0.00 -1.33 0.00 0.00 177.39 176.98 1a8r h ALA 55 N 2.20 0.75 -2.73 -1.18 0.00 -1.93 -3.17 119.26 113.20 1a8r h ALA 55 Ca 0.00 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 53.99 1a8r h ALA 55 Cb 0.04 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 17.81 1a8r h ALA 55 CO 0.00 0.54 0.74 0.34 0.00 0.00 0.00 179.25 180.86 1a8r s ASP 56 N -6.41 6.70 0.34 0.00 2.15 -0.65 -4.80 116.67 113.99 1a8r s ASP 56 Ca 0.04 2.61 0.09 0.00 0.43 0.00 0.00 52.55 55.72 1a8r s ASP 56 Cb 0.08 -2.62 0.82 0.00 -0.30 0.00 0.00 42.92 40.90 1a8r s ASP 56 CO 0.73 -0.66 1.82 -2.24 -0.17 0.00 0.00 175.17 174.64 1a8r h ASP 57 N 5.08 0.69 0.87 -0.34 2.03 -1.89 0.14 116.42 122.99 1a8r h ASP 57 Ca -0.46 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1a8r h ASP 57 Cb 1.22 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1a8r h ASP 57 CO 0.77 0.29 0.00 -0.24 -1.03 0.00 0.00 179.24 179.03 1a8r n SER 58 N -4.64 0.58 -0.01 4.15 2.88 -1.26 -3.60 113.62 111.71 1a8r n SER 58 Ca 0.21 0.62 0.01 0.00 -1.33 0.00 0.00 58.87 58.37 1a8r n SER 58 Cb 0.56 -0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 63.22 1a8r n SER 58 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1a8r n LEU 59 N -2.11 0.00 -0.28 2.46 4.77 0.00 -4.75 117.00 117.10 1a8r n LEU 59 Ca 0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.03 1a8r n LEU 59 Cb 0.27 0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1a8r n LEU 59 CO 0.21 0.06 0.70 -0.03 -1.33 0.00 0.00 177.39 177.00 1a8r h MET 60 N 0.00 -0.01 -0.01 3.23 4.05 -0.80 -1.89 114.93 119.51 1a8r h MET 60 Ca -0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1a8r h MET 60 Cb 0.71 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 1a8r h MET 60 CO 0.00 -0.00 -0.19 0.39 0.23 0.00 0.00 176.91 177.34 1a8r n GLU 61 N -5.51 0.88 -0.15 0.39 -0.58 -1.26 -4.40 120.64 110.00 1a8r n GLU 61 Ca 0.11 -0.47 -0.03 0.00 -0.42 0.00 0.00 57.16 56.34 1a8r n GLU 61 Cb 0.40 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.81 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 1.15 0.52 -0.96 2.62 2.02 -1.63 -0.43 112.91 116.20 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 0.47 0.52 -0.09 0.00 -1.74 0.00 0.00 68.15 67.30 1a8r h THR 62 CO 0.00 0.00 0.58 -0.65 0.37 0.00 0.00 175.52 175.82 1a8r h PRO 63 N 0.00 0.81 -0.04 6.66 0.11 -1.77 0.80 132.00 138.58 1a8r h PRO 63 Ca 0.23 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1a8r h PRO 63 Cb 0.35 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1a8r h PRO 63 CO -0.49 0.54 -0.02 1.25 -0.21 0.00 0.00 178.00 179.07 1a8r h HIS 64 N 0.84 0.09 -0.72 0.65 -0.00 -1.60 -1.69 115.15 112.71 1a8r h HIS 64 Ca 0.51 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.93 1a8r h HIS 64 Cb 0.64 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.97 1a8r h HIS 64 CO -0.02 0.48 0.41 0.00 -0.00 0.00 0.00 177.93 178.79 1a8r h ARG 65 N -0.32 0.71 -0.37 5.26 3.08 -0.07 0.25 114.38 122.92 1a8r h ARG 65 Ca 0.01 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1a8r h ARG 65 Cb 0.46 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1a8r h ARG 65 CO 0.01 0.47 0.03 0.82 -1.07 0.00 0.00 179.97 180.23 1a8r h ILE 66 N 0.74 1.25 -0.33 2.04 2.04 -0.88 0.09 117.51 122.45 1a8r h ILE 66 Ca 0.33 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.31 1a8r h ILE 66 Cb 0.22 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1a8r h ILE 66 CO -0.20 0.31 0.08 0.00 0.00 0.00 0.00 178.15 178.35 1a8r h ALA 67 N 0.89 0.36 -0.82 1.87 0.00 -0.58 -0.44 119.26 120.54 1a8r h ALA 67 Ca 0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1a8r h ALA 67 Cb 0.41 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1a8r h ALA 67 CO 0.01 -0.32 0.47 -0.22 0.00 0.00 0.00 179.25 179.20 1a8r h LYS 68 N 0.21 1.12 -0.32 0.00 3.64 -0.77 -1.85 116.57 118.60 1a8r h LYS 68 Ca 0.15 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1a8r h LYS 68 Cb 0.16 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1a8r h LYS 68 CO -0.19 0.80 0.01 1.98 -2.27 0.00 0.00 179.45 179.78 1a8r h MET 69 N 1.14 0.56 0.10 1.90 4.05 -0.05 0.77 114.93 123.40 1a8r h MET 69 Ca 0.29 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1a8r h MET 69 Cb -0.01 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.73 1a8r h MET 69 CO -0.05 0.69 -0.05 1.88 0.23 0.00 0.00 176.91 179.61 1a8r h TYR 70 N 0.37 -0.12 0.30 1.39 0.05 -0.92 0.39 116.97 118.42 1a8r h TYR 70 Ca 0.09 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 1a8r h TYR 70 Cb 0.43 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1a8r h TYR 70 CO 0.03 0.20 -0.14 0.28 -1.05 0.00 0.00 178.16 177.48 1a8r h VAL 71 N -0.46 0.11 0.00 -2.88 2.07 -1.41 -3.32 116.25 110.37 1a8r h VAL 71 Ca -0.01 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1a8r h VAL 71 Cb 0.38 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1a8r h VAL 71 CO 0.02 0.03 -0.25 0.44 0.02 0.00 0.00 177.57 177.84 1a8r h ASP 72 N -1.09 0.00 0.00 0.57 3.32 -1.02 -3.40 116.42 114.80 1a8r h ASP 72 Ca -0.04 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1a8r h ASP 72 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1a8r h ASP 72 CO 0.07 0.04 0.00 -0.62 -1.72 0.00 0.00 179.24 177.01 1a8r n GLU 73 N -2.27 0.00 0.14 3.56 1.02 -0.70 -4.69 120.64 117.70 1a8r n GLU 73 Ca 0.05 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.26 1a8r n GLU 73 Cb 0.44 0.00 0.41 0.00 -0.02 0.00 0.00 31.44 32.27 1a8r n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1a8r n ILE 74 N -0.10 0.94 -1.18 -3.67 -5.35 0.04 -1.15 119.36 108.89 1a8r n ILE 74 Ca 0.00 0.71 0.08 0.00 -0.27 0.00 0.00 62.75 63.27 1a8r n ILE 74 Cb 0.00 -1.71 0.11 0.00 -1.74 0.00 0.00 39.64 36.31 1a8r n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1a8r n PHE 75 N -2.04 0.00 -0.10 4.28 3.72 -1.24 -2.76 117.46 119.32 1a8r n PHE 75 Ca -0.01 -0.83 0.18 0.00 -0.05 0.00 0.00 57.45 56.74 1a8r n PHE 75 Cb 0.16 -0.13 0.59 0.00 -0.94 0.00 0.00 39.48 39.16 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 0.00 0.21 0.08 4.37 4.64 -1.06 -0.83 113.55 120.96 1a8r h SER 76 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1a8r h SER 76 Cb 1.05 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1a8r h SER 76 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 1a8r n GLY 77 N -1.58 -0.62 0.14 -0.77 0.00 -0.35 -1.75 105.19 100.26 1a8r n GLY 77 Ca 0.12 0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 -8.53 0.99 3.38 -1.27 -3.43 115.31 106.45 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 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.59 1a8r h LEU 78 CO 0.00 0.55 -0.29 -0.62 0.09 0.00 0.00 178.44 178.17 1a8r s ASP 79 N -6.51 6.16 0.00 -0.43 2.15 -0.72 -4.94 116.67 112.38 1a8r s ASP 79 Ca 0.02 -0.74 0.01 0.00 0.43 0.00 0.00 52.55 52.27 1a8r s ASP 79 Cb 0.09 -2.20 0.07 0.00 -0.30 0.00 0.00 42.92 40.58 1a8r s ASP 79 CO 0.74 -0.53 0.82 -1.22 -0.17 0.00 0.00 175.17 174.81 1a8r n TYR 80 N 5.44 0.00 0.51 -5.34 4.01 -1.26 -0.49 117.16 120.03 1a8r n TYR 80 Ca -0.09 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.77 1a8r n TYR 80 Cb 0.47 -0.26 0.45 0.00 -0.31 0.00 0.00 39.34 39.70 1a8r n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a8r n ALA 81 N -1.26 1.87 0.13 -0.72 0.00 -1.26 -1.98 120.51 117.30 1a8r n ALA 81 Ca 0.01 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.58 1a8r n ALA 81 Cb 0.01 -1.39 0.22 0.00 0.00 0.00 0.00 19.45 18.29 1a8r n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a8r n ASN 82 N -2.09 3.45 -4.76 0.00 3.02 0.36 -4.99 115.26 110.25 1a8r n ASN 82 Ca 0.04 -1.97 -0.41 0.00 -0.03 0.00 0.00 54.58 52.20 1a8r n ASN 82 Cb 0.28 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1a8r n ASN 82 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1a8r n PHE 83 N 1.40 2.92 -2.01 3.10 7.35 -0.84 -4.92 117.46 124.47 1a8r n PHE 83 Ca 0.19 0.29 -0.39 0.00 -0.76 0.00 0.00 57.45 56.79 1a8r n PHE 83 Cb 0.58 -2.59 0.01 0.00 0.35 0.00 0.00 39.48 37.83 1a8r n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1a8r s PRO 84 N -0.88 3.68 -0.13 -7.13 0.04 -1.26 -4.94 135.00 124.37 1a8r s PRO 84 Ca 0.61 2.11 -0.29 0.00 0.04 0.00 0.00 61.00 63.47 1a8r s PRO 84 Cb -0.49 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 1a8r s PRO 84 CO 0.52 -0.72 1.54 0.15 0.04 0.00 0.00 177.00 178.54 1a8r s LYS 85 N -2.53 4.09 -0.05 4.56 1.02 -1.26 -4.95 119.74 120.61 1a8r s LYS 85 Ca 0.62 1.90 -0.20 0.00 0.02 0.00 0.00 55.97 58.32 1a8r s LYS 85 Cb -0.37 -3.94 -0.05 0.00 -0.52 0.00 0.00 37.83 32.95 1a8r s LYS 85 CO 0.46 -0.93 0.57 0.42 -0.92 0.00 0.00 175.35 174.94 1a8r s ILE 86 N 4.22 5.03 -0.04 2.17 -1.09 -1.26 -4.95 121.20 125.27 1a8r s ILE 86 Ca 0.68 1.17 0.02 0.00 -2.23 0.00 0.00 60.65 60.28 1a8r s ILE 86 Cb -0.28 -3.90 0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1a8r s ILE 86 CO 0.26 0.37 -0.08 0.42 -1.23 0.00 0.00 174.94 174.67 1a8r s THR 87 N 0.20 0.80 0.20 2.92 -4.23 -1.26 -5.09 115.64 109.18 1a8r s THR 87 Ca 0.30 -0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.55 1a8r s THR 87 Cb -0.17 -0.75 -0.05 0.00 1.34 0.00 0.00 72.50 72.87 1a8r s THR 87 CO 0.15 0.27 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.66 1a8r s LEU 88 N 0.56 2.44 0.06 4.79 1.43 -1.26 -1.28 118.68 125.42 1a8r s LEU 88 Ca -0.09 -1.10 0.03 0.00 -1.03 0.00 0.00 54.13 51.94 1a8r s LEU 88 Cb -0.13 -0.46 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 1a8r s LEU 88 CO 0.01 -0.34 -0.08 0.27 0.23 0.00 0.00 176.35 176.44 1a8r s ILE 89 N -3.21 0.67 0.32 -0.59 -4.36 0.24 -4.96 121.20 109.30 1a8r s ILE 89 Ca 0.23 -1.32 -0.29 0.00 -0.26 0.00 0.00 60.65 59.01 1a8r s ILE 89 Cb 0.03 -0.93 -0.11 0.00 1.25 0.00 0.00 42.46 42.69 1a8r s ILE 89 CO 0.06 -0.48 1.58 1.21 0.24 0.00 0.00 174.94 177.55 1a8r n GLU 90 N 1.07 2.73 -1.16 0.37 2.13 -1.26 -0.60 120.64 123.92 1a8r n GLU 90 Ca -0.20 0.97 -0.34 0.00 0.66 0.00 0.00 57.16 58.25 1a8r n GLU 90 Cb 0.56 -2.74 -0.02 0.00 0.27 0.00 0.00 31.44 29.50 1a8r n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1a8r n ASN 91 N 1.73 7.19 0.22 4.31 5.15 0.43 -4.49 115.26 129.80 1a8r n ASN 91 Ca 0.07 -2.51 0.09 0.00 -0.60 0.00 0.00 54.58 51.62 1a8r n ASN 91 Cb 0.37 -1.41 0.49 0.00 -0.53 0.00 0.00 39.78 38.70 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 5.53 0.00 0.00 1.20 1.57 -1.88 -1.78 116.57 121.20 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 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1a8r h LYS 92 CO 1.70 0.25 0.00 0.52 -0.57 0.00 0.00 179.45 181.34 1a8r h MET 93 N 0.00 0.00 -5.65 3.15 2.86 -2.00 -3.46 114.93 109.84 1a8r h MET 93 Ca -0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.29 1a8r h MET 93 Cb 0.68 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.50 1a8r h MET 93 CO 0.03 0.00 -0.73 1.63 1.06 0.00 0.00 176.91 178.90 1a8r n LYS 94 N -2.81 -6.92 -2.56 1.72 5.02 -0.67 -4.92 118.16 107.02 1a8r n LYS 94 Ca -0.00 0.83 -0.43 0.00 -2.02 0.00 0.00 58.31 56.69 1a8r n LYS 94 Cb 0.21 -5.83 -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 -3.34 4.52 -0.17 -0.18 1.01 -1.26 -4.89 120.40 116.08 1a8r s VAL 95 Ca 0.16 1.83 0.15 0.00 0.00 0.00 0.00 61.98 64.13 1a8r s VAL 95 Cb -0.07 -4.18 0.43 0.00 0.00 0.00 0.00 36.38 32.56 1a8r s VAL 95 CO 0.72 -0.16 1.20 -0.90 0.00 0.00 0.00 175.10 175.96 1a8r n ASP 96 N 6.41 1.97 -4.16 3.32 5.75 -1.26 -4.22 116.55 124.36 1a8r n ASP 96 Ca 0.13 -3.26 -0.19 0.00 -0.01 0.00 0.00 54.79 51.45 1a8r n ASP 96 Cb 0.46 -0.44 -0.13 0.00 -1.03 0.00 0.00 41.12 39.98 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 -2.49 0.88 0.55 0.11 0.41 -1.26 -4.97 118.70 111.93 1a8r s GLU 97 Ca 0.38 -0.85 -0.21 0.00 -0.41 0.00 0.00 54.97 53.88 1a8r s GLU 97 Cb 0.38 -0.89 -0.05 0.00 -1.78 0.00 0.00 34.13 31.79 1a8r s GLU 97 CO -0.08 0.21 1.31 0.00 -0.49 0.00 0.00 175.26 176.21 1a8r s MET 98 N -1.42 3.13 -0.16 1.61 0.23 -1.26 -4.34 119.30 117.09 1a8r s MET 98 Ca -0.00 2.12 -0.02 0.00 -1.03 0.00 0.00 55.69 56.75 1a8r s MET 98 Cb -0.09 -2.20 -0.02 0.00 -1.53 0.00 0.00 34.83 31.00 1a8r s MET 98 CO 0.02 -1.16 -0.08 0.08 -2.03 0.00 0.00 175.02 171.85 1a8r s VAL 99 N -1.37 3.43 -0.09 5.16 1.01 0.43 -4.92 120.40 124.06 1a8r s VAL 99 Ca 0.72 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1a8r s VAL 99 Cb -0.38 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1a8r s VAL 99 CO 0.44 0.49 -0.24 -0.89 0.00 0.00 0.00 175.10 174.90 1a8r s THR 100 N 0.63 2.01 -0.27 3.92 2.01 -1.26 -1.99 115.64 120.69 1a8r s THR 100 Ca -0.04 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 60.93 1a8r s THR 100 Cb -0.15 -1.73 0.04 0.00 0.01 0.00 0.00 72.50 70.67 1a8r s THR 100 CO 0.03 0.55 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 1a8r s VAL 101 N 0.20 2.93 0.23 3.82 1.01 0.12 -4.99 120.40 123.72 1a8r s VAL 101 Ca -0.14 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 60.72 1a8r s VAL 101 Cb -0.17 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1a8r s VAL 101 CO 0.07 0.06 0.14 0.00 0.00 0.00 0.00 175.10 175.36 1a8r s ARG 102 N 1.29 2.77 -1.37 2.72 1.70 -1.26 -0.84 118.95 123.96 1a8r s ARG 102 Ca -0.02 -1.09 -0.06 0.00 -0.47 0.00 0.00 55.73 54.08 1a8r s ARG 102 Cb -0.18 -2.49 0.03 0.00 -0.57 0.00 0.00 34.95 31.74 1a8r s ARG 102 CO -0.03 0.41 0.92 -0.25 -1.08 0.00 0.00 175.30 175.27 1a8r n ASP 103 N -0.92 -3.34 -4.68 -2.89 8.00 -1.02 -4.95 116.55 106.75 1a8r n ASP 103 Ca -0.08 -0.73 -0.43 0.00 0.71 0.00 0.00 54.79 54.27 1a8r n ASP 103 Cb 0.57 -4.33 -0.02 0.00 -0.02 0.00 0.00 41.12 37.32 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 -3.45 4.47 0.19 0.53 1.01 -0.17 -4.83 121.20 118.96 1a8r s ILE 104 Ca 0.31 1.77 -0.32 0.00 0.00 0.00 0.00 60.65 62.41 1a8r s ILE 104 Cb -0.15 -4.14 -0.12 0.00 0.01 0.00 0.00 42.46 38.06 1a8r s ILE 104 CO 0.79 -0.04 1.72 0.41 0.00 0.00 0.00 174.94 177.82 1a8r n THR 105 N 4.79 0.04 -3.84 2.92 -1.04 -1.26 -1.25 114.28 114.64 1a8r n THR 105 Ca 0.11 -0.01 -0.24 0.00 -2.04 0.00 0.00 64.05 61.87 1a8r n THR 105 Cb 0.47 -1.95 -0.17 0.00 -1.82 0.00 0.00 70.33 66.85 1a8r n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1a8r s LEU 106 N 1.30 0.83 -0.24 -4.42 0.20 -0.38 -4.78 118.68 111.18 1a8r s LEU 106 Ca 0.76 -0.16 0.02 0.00 0.69 0.00 0.00 54.13 55.44 1a8r s LEU 106 Cb -0.52 -0.58 0.06 0.00 -0.43 0.00 0.00 46.19 44.72 1a8r s LEU 106 CO 0.33 -0.16 -0.10 0.42 -0.29 0.00 0.00 176.35 176.55 1a8r s THR 107 N 1.83 1.97 0.15 3.68 -4.23 -1.26 -1.08 115.64 116.69 1a8r s THR 107 Ca 0.04 -1.44 0.01 0.00 -1.18 0.00 0.00 61.69 59.12 1a8r s THR 107 Cb -0.12 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 1a8r s THR 107 CO -0.06 0.01 0.05 -0.24 -0.54 0.00 0.00 174.62 173.84 1a8r n SER 108 N 4.52 1.06 -3.84 3.99 2.88 -0.63 -4.21 113.62 117.38 1a8r n SER 108 Ca -0.14 -1.78 -0.18 0.00 -1.33 0.00 0.00 58.87 55.43 1a8r n SER 108 Cb 0.43 0.37 -0.16 0.00 -0.75 0.00 0.00 64.21 64.10 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 -2.09 0.29 0.35 2.46 2.01 -1.25 -1.02 115.64 116.39 1a8r s THR 109 Ca 0.07 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.84 1a8r s THR 109 Cb 0.00 -0.36 -0.09 0.00 0.01 0.00 0.00 72.50 72.06 1a8r s THR 109 CO 0.05 0.17 1.11 0.00 -0.69 0.00 0.00 174.62 175.27 1a8r n GLU 111 N 0.45 0.09 0.01 0.00 0.28 -0.41 -0.72 120.64 120.35 1a8r n GLU 111 Ca 0.02 0.05 -0.19 0.00 -0.16 0.00 0.00 57.16 56.89 1a8r n GLU 111 Cb 0.47 -1.59 -0.09 0.00 1.43 0.00 0.00 31.44 31.66 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 0.92 0.00 -1.84 4.64 -1.92 -3.38 113.55 111.96 1a8r h SER 112 Ca 0.00 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 1a8r h SER 112 Cb 0.58 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1a8r h SER 112 CO 0.00 1.48 0.00 1.41 -0.87 0.00 0.00 176.83 178.85 1a8r n HIS 113 N -3.89 0.00 -3.65 4.77 8.25 -1.25 -5.01 115.22 114.44 1a8r n HIS 113 Ca -0.09 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.13 1a8r n HIS 113 Cb 0.82 0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.00 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 -0.09 -2.55 -4.34 4.41 3.01 0.10 -5.00 117.46 113.01 1a8r n PHE 114 Ca 0.00 0.96 -0.29 0.00 1.01 0.00 0.00 57.45 59.13 1a8r n PHE 114 Cb 0.06 -4.76 -0.12 0.00 -0.01 0.00 0.00 39.48 34.65 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 -3.36 2.61 0.21 -4.37 1.01 -1.23 -4.85 120.40 110.42 1a8r s VAL 115 Ca 0.44 -1.61 -0.31 0.00 0.00 0.00 0.00 61.98 60.50 1a8r s VAL 115 Cb -0.20 -2.18 -0.15 0.00 0.00 0.00 0.00 36.38 33.84 1a8r s VAL 115 CO 0.76 0.09 1.06 0.41 0.00 0.00 0.00 175.10 177.43 1a8r n THR 116 N 0.83 1.29 -4.50 3.92 -1.04 -1.26 -0.56 114.28 112.96 1a8r n THR 116 Ca -0.16 -0.32 -0.29 0.00 -2.04 0.00 0.00 64.05 61.23 1a8r n THR 116 Cb 0.53 -0.80 -0.17 0.00 -1.82 0.00 0.00 70.33 68.07 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 -0.51 1.58 -0.23 12.58 1.01 -0.19 -1.49 121.20 133.95 1a8r s ILE 117 Ca 0.68 -0.69 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 1a8r s ILE 117 Cb -0.82 -1.43 0.03 0.00 0.01 0.00 0.00 42.46 40.25 1a8r s ILE 117 CO 0.55 0.46 -0.11 -0.62 0.00 0.00 0.00 174.94 175.22 1a8r s ASP 118 N 0.95 3.99 0.30 3.58 2.15 -0.20 -1.61 116.67 125.82 1a8r s ASP 118 Ca -0.07 -0.87 -0.01 0.00 0.43 0.00 0.00 52.55 52.03 1a8r s ASP 118 Cb -0.15 -1.59 0.01 0.00 -0.30 0.00 0.00 42.92 40.88 1a8r s ASP 118 CO -0.01 -0.09 0.41 0.61 -0.17 0.00 0.00 175.17 175.91 1a8r n GLY 119 N 4.62 2.28 2.89 2.66 0.00 -0.24 -0.44 105.19 116.96 1a8r n GLY 119 Ca -0.17 -1.58 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.69 0.26 0.12 1.61 1.02 0.05 -1.25 119.74 118.86 1a8r s LYS 120 Ca 0.25 -0.05 0.06 0.00 0.02 0.00 0.00 55.97 56.25 1a8r s LYS 120 Cb -0.01 -0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1a8r s LYS 120 CO 0.18 -0.00 -0.01 0.00 -0.92 0.00 0.00 175.35 174.60 1a8r s ALA 121 N 0.28 3.22 -0.11 5.17 0.00 -0.38 -0.92 121.76 129.03 1a8r s ALA 121 Ca -0.03 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1a8r s ALA 121 Cb -0.05 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 22.00 1a8r s ALA 121 CO -0.01 0.62 -0.05 0.99 0.00 0.00 0.00 175.76 177.31 1a8r s THR 122 N -1.43 0.87 -0.06 0.00 2.01 0.75 -1.00 115.64 116.79 1a8r s THR 122 Ca 0.26 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1a8r s THR 122 Cb -0.11 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1a8r s THR 122 CO 0.18 0.31 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.50 1a8r s VAL 123 N 1.77 1.88 0.07 3.82 1.01 -0.02 -1.27 120.40 127.65 1a8r s VAL 123 Ca 0.04 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1a8r s VAL 123 Cb -0.13 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1a8r s VAL 123 CO -0.07 0.53 -0.06 0.00 0.00 0.00 0.00 175.10 175.49 1a8r s ALA 124 N -0.06 0.70 -0.01 5.51 0.00 -0.70 0.14 121.76 127.34 1a8r s ALA 124 Ca -0.05 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.56 1a8r s ALA 124 Cb -0.14 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.20 1a8r s ALA 124 CO 0.04 -0.17 0.74 1.52 0.00 0.00 0.00 175.76 177.89 1a8r s TYR 125 N -2.69 -0.54 -0.30 0.00 1.13 -0.84 -1.02 117.35 113.09 1a8r s TYR 125 Ca 0.01 0.71 -0.09 0.00 -1.41 0.00 0.00 57.07 56.30 1a8r s TYR 125 Cb -0.01 0.47 -0.00 0.00 -1.10 0.00 0.00 41.96 41.32 1a8r s TYR 125 CO -0.03 -0.62 0.13 0.42 -2.51 0.00 0.00 175.55 172.93 1a8r s ILE 126 N -2.12 4.39 0.21 -3.49 1.01 -0.84 -0.43 121.20 119.94 1a8r s ILE 126 Ca -0.04 -0.50 -0.32 0.00 0.00 0.00 0.00 60.65 59.79 1a8r s ILE 126 Cb -0.00 -3.24 -0.13 0.00 0.01 0.00 0.00 42.46 39.10 1a8r s ILE 126 CO -0.00 0.08 1.61 -2.65 0.00 0.00 0.00 174.94 173.98 1a8r n PRO 127 N 4.94 2.46 0.00 2.79 -0.02 -1.26 -4.87 135.00 139.05 1a8r n PRO 127 Ca -0.14 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1a8r n PRO 127 Cb 0.49 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.18 0.00 -0.02 -0.52 4.81 -1.26 -4.60 118.16 119.75 1a8r n LYS 128 Ca 0.14 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.67 1a8r n LYS 128 Cb 0.33 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.21 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 0.03 -4.20 3.14 8.00 -1.26 -4.83 116.55 117.44 1a8r n ASP 129 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 1a8r n ASP 129 Cb 0.00 1.90 -0.11 0.00 -0.02 0.00 0.00 41.12 42.89 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 -4.59 1.63 -0.19 -2.24 1.04 -1.26 -0.43 113.70 107.66 1a8r s SER 130 Ca -0.08 -0.80 -0.03 0.00 0.48 0.00 0.00 55.95 55.52 1a8r s SER 130 Cb 0.13 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1a8r s SER 130 CO 0.90 -0.22 -0.07 -0.69 0.98 0.00 0.00 173.24 174.14 1a8r s VAL 131 N -2.30 3.36 0.31 5.02 1.01 0.23 -4.73 120.40 123.31 1a8r s VAL 131 Ca 0.06 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1a8r s VAL 131 Cb -0.04 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.76 1a8r s VAL 131 CO 0.01 0.46 0.73 -0.51 0.00 0.00 0.00 175.10 175.79 1a8r s ILE 132 N 0.99 4.69 0.10 2.22 2.07 -1.26 -0.59 121.20 129.41 1a8r s ILE 132 Ca -0.00 0.94 -0.31 0.00 -1.41 0.00 0.00 60.65 59.87 1a8r s ILE 132 Cb -0.15 -3.62 -0.09 0.00 0.13 0.00 0.00 42.46 38.73 1a8r s ILE 132 CO 0.00 -0.16 1.61 -0.83 -1.91 0.00 0.00 174.94 173.66 1a8r s GLY 133 N -2.24 1.58 0.22 1.50 0.00 -0.41 -4.91 107.32 103.06 1a8r s GLY 133 Ca 0.53 1.25 -0.16 0.00 0.00 0.00 0.00 44.72 46.34 1a8r s GLY 133 CO 0.18 2.78 1.59 1.41 0.00 0.00 0.00 173.10 179.06 1a8r h LEU 134 N 7.93 -0.98 -2.82 0.66 3.38 -1.95 0.26 115.31 121.79 1a8r h LEU 134 Ca -0.42 0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1a8r h LEU 134 Cb 1.20 0.55 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 1a8r h LEU 134 CO 0.92 -0.28 -0.00 0.77 0.09 0.00 0.00 178.44 179.94 1a8r h SER 135 N -0.06 0.00 0.07 -0.43 4.64 -1.99 -1.53 113.55 114.24 1a8r h SER 135 Ca 0.32 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.57 1a8r h SER 135 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1a8r h SER 135 CO -0.78 0.00 -0.19 0.11 -0.87 0.00 0.00 176.83 175.10 1a8r h LYS 136 N 0.00 0.24 -0.02 4.77 1.79 -1.30 0.39 116.57 122.44 1a8r h LYS 136 Ca -0.00 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1a8r h LYS 136 Cb 0.01 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1a8r h LYS 136 CO 0.00 0.43 0.00 0.82 -1.08 0.00 0.00 179.45 179.63 1a8r h ILE 137 N 0.23 1.23 -0.20 1.86 2.04 -1.35 0.00 117.51 121.32 1a8r h ILE 137 Ca 0.04 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.27 1a8r h ILE 137 Cb 0.47 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1a8r h ILE 137 CO 0.03 0.18 -0.03 0.78 0.00 0.00 0.00 178.15 179.11 1a8r h ASN 138 N -0.25 -0.13 -0.54 1.72 2.35 -1.46 -1.14 115.58 116.13 1a8r h ASN 138 Ca 0.00 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1a8r h ASN 138 Cb 0.29 0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1a8r h ASN 138 CO 0.00 -0.04 0.31 0.03 -1.65 0.00 0.00 177.43 176.08 1a8r h ARG 139 N 0.03 0.77 -0.22 0.81 3.08 -0.84 -1.45 114.38 116.57 1a8r h ARG 139 Ca 0.10 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 1a8r h ARG 139 Cb 0.13 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1a8r h ARG 139 CO -0.18 0.57 -0.15 0.82 -1.07 0.00 0.00 179.97 179.95 1a8r h ILE 140 N 0.78 1.31 -0.34 2.04 2.04 -0.28 0.31 117.51 123.37 1a8r h ILE 140 Ca 0.20 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.85 1a8r h ILE 140 Cb 0.02 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1a8r h ILE 140 CO -0.03 0.39 0.06 0.58 0.00 0.00 0.00 178.15 179.15 1a8r h VAL 141 N 0.18 0.82 0.00 1.67 2.07 -0.91 -1.31 116.25 118.78 1a8r h VAL 141 Ca 0.04 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1a8r h VAL 141 Cb 0.67 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1a8r h VAL 141 CO 0.04 0.03 -0.33 1.56 0.02 0.00 0.00 177.57 178.89 1a8r h GLN 142 N 0.18 0.00 -0.34 1.57 1.08 -1.19 -1.22 115.11 115.19 1a8r h GLN 142 Ca 0.16 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 1a8r h GLN 142 Cb 0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1a8r h GLN 142 CO -0.22 0.33 0.04 0.35 -0.95 0.00 0.00 178.83 178.39 1a8r h PHE 143 N 0.00 0.62 0.00 2.96 3.57 0.21 -1.37 116.94 122.93 1a8r h PHE 143 Ca -0.00 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.31 1a8r h PHE 143 Cb 0.61 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1a8r h PHE 143 CO 0.00 0.65 -0.44 0.74 -2.23 0.00 0.00 178.31 177.03 1a8r h PHE 144 N 0.40 0.00 -0.35 0.41 0.04 -1.27 -3.25 116.94 112.92 1a8r h PHE 144 Ca 0.10 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.74 1a8r h PHE 144 Cb 0.37 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1a8r h PHE 144 CO 0.03 0.44 -0.33 0.00 -0.60 0.00 0.00 178.31 177.85 1a8r h ALA 145 N 1.56 0.76 0.00 2.45 0.00 -1.01 -3.33 119.26 119.69 1a8r h ALA 145 Ca -0.00 -0.42 -0.49 0.00 0.00 0.00 0.00 54.91 54.00 1a8r h ALA 145 Cb 1.26 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1a8r h ALA 145 CO 0.06 0.65 2.91 1.04 0.00 0.00 0.00 179.25 183.91 1a8r n GLN 146 N -4.07 2.46 -3.47 0.00 1.13 -0.53 -4.21 117.38 108.68 1a8r n GLN 146 Ca -0.01 -1.72 -0.12 0.00 -1.94 0.00 0.00 57.00 53.21 1a8r n GLN 146 Cb 0.50 -2.62 -0.03 0.00 0.11 0.00 0.00 30.24 28.20 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 3.25 1.23 -0.07 -1.09 0.52 -1.11 -1.21 118.95 120.47 1a8r s ARG 147 Ca 0.49 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.89 1a8r s ARG 147 Cb 0.13 0.56 -0.05 0.00 0.52 0.00 0.00 34.95 36.11 1a8r s ARG 147 CO -0.03 -0.53 1.63 -2.14 0.02 0.00 0.00 175.30 174.25 1a8r s PRO 148 N -3.73 4.17 0.39 3.54 0.02 -1.26 -3.79 135.00 134.34 1a8r s PRO 148 Ca 0.01 2.14 0.05 0.00 0.02 0.00 0.00 61.00 63.22 1a8r s PRO 148 Cb -0.00 -3.98 -0.06 0.00 0.02 0.00 0.00 34.50 30.48 1a8r s PRO 148 CO -0.13 -0.86 0.04 -0.65 -0.33 0.00 0.00 177.00 175.08 1a8r s GLN 149 N 4.03 1.86 -0.13 5.54 -1.52 1.00 -4.68 119.66 125.76 1a8r s GLN 149 Ca 0.72 -2.07 -0.02 0.00 -1.95 0.00 0.00 55.36 52.04 1a8r s GLN 149 Cb -0.32 -1.21 0.04 0.00 -0.22 0.00 0.00 33.01 31.30 1a8r s GLN 149 CO 0.29 -0.18 0.00 0.08 -0.25 0.00 0.00 175.29 175.23 1a8r s VAL 150 N -3.02 0.56 0.32 1.09 1.01 -1.26 -1.29 120.40 117.81 1a8r s VAL 150 Ca 0.31 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.14 1a8r s VAL 150 Cb 0.08 -0.85 0.32 0.00 0.00 0.00 0.00 36.38 35.92 1a8r s VAL 150 CO 0.15 0.07 1.69 -0.61 0.00 0.00 0.00 175.10 176.40 1a8r h GLN 151 N 8.26 0.42 -0.50 2.72 4.15 -1.98 0.23 115.11 128.41 1a8r h GLN 151 Ca -0.20 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 1a8r h GLN 151 Cb 1.12 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 1a8r h GLN 151 CO 0.32 0.28 0.31 0.93 -1.93 0.00 0.00 178.83 178.74 1a8r h GLU 152 N 0.43 0.68 -0.17 1.69 3.07 -1.99 -1.40 114.58 116.88 1a8r h GLU 152 Ca 0.66 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 59.40 1a8r h GLU 152 Cb 1.37 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1a8r h GLU 152 CO -0.55 0.48 -0.14 -0.09 -1.40 0.00 0.00 179.01 177.31 1a8r h ARG 153 N 0.67 0.40 -0.58 2.33 2.43 -1.56 -2.98 114.38 115.09 1a8r h ARG 153 Ca 0.18 -0.20 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1a8r h ARG 153 Cb -0.03 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.44 1a8r h ARG 153 CO -0.04 0.75 0.15 1.25 -1.51 0.00 0.00 179.97 180.57 1a8r h LEU 154 N 0.05 0.07 -0.72 3.80 5.85 -0.82 -0.37 115.31 123.17 1a8r h LEU 154 Ca 0.03 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1a8r h LEU 154 Cb 0.66 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 1a8r h LEU 154 CO 0.04 0.05 0.45 0.74 -0.34 0.00 0.00 178.44 179.38 1a8r h THR 155 N 0.30 1.10 0.02 1.05 2.02 -1.27 -2.19 112.91 113.93 1a8r h THR 155 Ca 0.30 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1a8r h THR 155 Cb 0.42 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1a8r h THR 155 CO -0.36 0.16 -0.01 1.56 0.37 0.00 0.00 175.52 177.24 1a8r h GLN 156 N 0.89 -0.03 -0.46 6.66 1.08 -1.10 -2.54 115.11 119.60 1a8r h GLN 156 Ca 0.29 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.55 1a8r h GLN 156 Cb 0.02 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 1a8r h GLN 156 CO -0.11 0.07 0.17 1.96 -0.95 0.00 0.00 178.83 179.97 1a8r h GLN 157 N -0.12 0.34 -0.77 1.46 4.20 -0.84 -1.32 115.11 118.07 1a8r h GLN 157 Ca -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1a8r h GLN 157 Cb 0.11 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1a8r h GLN 157 CO 0.00 0.22 0.41 0.82 -0.67 0.00 0.00 178.83 179.62 1a8r h ILE 158 N 0.35 1.23 0.06 2.54 2.04 -1.36 -0.81 117.51 121.56 1a8r h ILE 158 Ca 0.22 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1a8r h ILE 158 Cb 0.21 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1a8r h ILE 158 CO -0.22 0.26 -0.03 0.25 0.00 0.00 0.00 178.15 178.42 1a8r h LEU 159 N 1.07 -0.07 0.07 1.44 5.85 -0.95 -1.50 115.31 121.21 1a8r h LEU 159 Ca 0.27 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1a8r h LEU 159 Cb 0.06 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1a8r h LEU 159 CO -0.04 0.03 -0.03 0.40 -0.34 0.00 0.00 178.44 178.46 1a8r h ILE 160 N -0.17 0.96 -0.35 4.05 1.08 -1.13 -1.33 117.51 120.62 1a8r h ILE 160 Ca -0.01 -0.09 0.07 0.00 -0.39 0.00 0.00 64.86 64.45 1a8r h ILE 160 Cb 0.15 1.02 -0.07 0.00 -3.07 0.00 0.00 36.82 34.85 1a8r h ILE 160 CO 0.01 0.02 -0.14 0.00 -0.69 0.00 0.00 178.15 177.36 1a8r h ALA 161 N 0.80 0.15 -0.46 1.87 0.00 -1.09 -0.71 119.26 119.82 1a8r h ALA 161 Ca -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1a8r h ALA 161 Cb 0.10 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1a8r h ALA 161 CO 0.01 -0.52 0.17 -0.07 0.00 0.00 0.00 179.25 178.85 1a8r h LEU 162 N -0.07 0.64 -0.24 0.00 3.38 -1.15 -0.58 115.31 117.29 1a8r h LEU 162 Ca 0.17 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1a8r h LEU 162 Cb 0.34 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1a8r h LEU 162 CO -0.40 0.65 0.04 1.56 0.09 0.00 0.00 178.44 180.38 1a8r h GLN 163 N 0.60 0.13 0.24 1.13 4.20 -0.76 0.26 115.11 120.91 1a8r h GLN 163 Ca 0.15 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1a8r h GLN 163 Cb 0.21 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1a8r h GLN 163 CO -0.01 0.08 -0.46 1.15 -0.67 0.00 0.00 178.83 178.92 1a8r h THR 164 N 0.13 0.09 -0.52 -0.54 2.02 -0.92 0.28 112.91 113.46 1a8r h THR 164 Ca 0.11 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1a8r h THR 164 Cb 0.11 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1a8r h THR 164 CO -0.15 0.00 0.28 -0.07 0.37 0.00 0.00 175.52 175.96 1a8r h LEU 165 N -0.78 0.63 0.00 2.58 3.38 -0.82 -2.77 115.31 117.52 1a8r h LEU 165 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1a8r h LEU 165 Cb 0.75 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1a8r h LEU 165 CO -0.19 0.51 -0.51 0.18 0.09 0.00 0.00 178.44 178.52 1a8r n LEU 166 N -4.41 0.50 -2.18 1.67 4.77 0.90 -4.96 117.00 113.29 1a8r n LEU 166 Ca 0.04 0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 1a8r n LEU 166 Cb 0.10 -0.25 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1a8r n LEU 166 CO 0.37 0.10 -0.09 0.61 -1.33 0.00 0.00 177.39 177.04 1a8r n GLY 167 N 1.48 -0.28 3.20 -0.72 0.00 0.96 -4.73 105.19 105.09 1a8r n GLY 167 Ca 0.05 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.95 0.08 -0.27 2.61 2.01 -1.04 -4.92 115.64 111.17 1a8r s THR 168 Ca 0.13 -0.64 0.23 0.00 0.31 0.00 0.00 61.69 61.73 1a8r s THR 168 Cb -0.06 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 1a8r s THR 168 CO 0.17 -0.35 0.99 0.59 -0.69 0.00 0.00 174.62 175.32 1a8r n ASN 169 N 1.11 0.71 -3.86 3.53 3.02 -1.26 -4.27 115.26 114.24 1a8r n ASN 169 Ca -0.21 0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 1a8r n ASN 169 Cb 0.57 0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 40.34 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 -2.52 2.72 -4.05 6.41 3.02 -1.26 -1.61 115.26 117.97 1a8r n ASN 170 Ca -0.00 -2.69 -0.14 0.00 -0.03 0.00 0.00 54.58 51.72 1a8r n ASN 170 Cb 0.53 -1.28 -0.12 0.00 -0.61 0.00 0.00 39.78 38.31 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 6.30 0.57 -0.04 2.41 1.01 -1.25 -1.98 120.40 127.42 1a8r s VAL 171 Ca 0.60 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1a8r s VAL 171 Cb 0.11 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1a8r s VAL 171 CO 0.12 -0.26 0.08 0.00 0.00 0.00 0.00 175.10 175.04 1a8r s ALA 172 N -1.11 -0.14 -0.05 5.51 0.00 -0.18 -0.09 121.76 125.70 1a8r s ALA 172 Ca -0.07 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.29 1a8r s ALA 172 Cb -0.08 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1a8r s ALA 172 CO 0.00 -0.09 -0.12 0.08 0.00 0.00 0.00 175.76 175.63 1a8r s VAL 173 N 0.64 1.08 -0.02 0.00 1.01 0.15 -1.73 120.40 121.53 1a8r s VAL 173 Ca -0.05 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1a8r s VAL 173 Cb -0.07 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1a8r s VAL 173 CO -0.03 0.33 -0.02 -0.55 0.00 0.00 0.00 175.10 174.83 1a8r s SER 174 N 0.37 0.47 -0.03 3.32 0.15 -0.40 -0.05 113.70 117.52 1a8r s SER 174 Ca -0.08 -0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.54 1a8r s SER 174 Cb -0.12 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1a8r s SER 174 CO 0.02 -0.01 -0.11 -0.63 1.20 0.00 0.00 173.24 173.71 1a8r s ILE 175 N 0.38 0.96 -0.16 6.45 1.01 0.24 -0.18 121.20 129.91 1a8r s ILE 175 Ca -0.04 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1a8r s ILE 175 Cb -0.07 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.57 1a8r s ILE 175 CO -0.01 0.29 -0.15 -0.62 0.00 0.00 0.00 174.94 174.45 1a8r s ASP 176 N 0.19 2.91 0.05 3.58 -1.08 -0.09 -0.89 116.67 121.33 1a8r s ASP 176 Ca -0.04 -0.58 -0.05 0.00 -0.52 0.00 0.00 52.55 51.35 1a8r s ASP 176 Cb -0.10 -1.28 -0.01 0.00 -1.46 0.00 0.00 42.92 40.07 1a8r s ASP 176 CO 0.01 -0.05 0.09 0.00 0.52 0.00 0.00 175.17 175.74 1a8r s ALA 177 N 1.42 -0.00 -0.18 3.66 0.00 0.25 -0.77 121.76 126.13 1a8r s ALA 177 Ca 0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1a8r s ALA 177 Cb -0.13 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1a8r s ALA 177 CO -0.11 -0.35 -0.00 0.08 0.00 0.00 0.00 175.76 175.37 1a8r s VAL 178 N -2.99 4.12 -0.32 0.00 1.01 0.42 -0.58 120.40 122.06 1a8r s VAL 178 Ca -0.02 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1a8r s VAL 178 Cb 0.01 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1a8r s VAL 178 CO -0.06 0.46 0.18 -1.00 0.00 0.00 0.00 175.10 174.68 1a8r s HIS 179 N 0.58 3.20 -0.90 5.22 3.76 -1.26 -1.04 115.29 124.84 1a8r s HIS 179 Ca -0.01 -0.41 0.12 0.00 -0.15 0.00 0.00 55.06 54.62 1a8r s HIS 179 Cb -0.14 -2.40 0.54 0.00 1.11 0.00 0.00 32.58 31.69 1a8r s HIS 179 CO 0.02 -0.41 1.39 0.66 -0.85 0.00 0.00 174.74 175.56 1a8r n TYR 180 N 5.03 0.13 0.68 1.40 4.01 -0.56 -0.90 117.16 126.95 1a8r n TYR 180 Ca -0.13 0.05 0.13 0.00 -0.16 0.00 0.00 57.90 57.79 1a8r n TYR 180 Cb 0.49 -0.59 0.44 0.00 -0.31 0.00 0.00 39.34 39.38 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 -2.13 1.29 -0.04 0.00 0.31 -0.08 -4.32 118.33 113.37 1a8r n VAL 182 Ca 0.06 -0.45 -0.13 0.00 -0.01 0.00 0.00 64.34 63.81 1a8r n VAL 182 Cb 0.40 -1.43 -0.11 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 -0.22 -0.01 -0.62 5.55 3.64 -1.08 -0.94 116.57 122.88 1a8r h LYS 183 Ca -0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1a8r h LYS 183 Cb 1.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1a8r h LYS 183 CO -0.15 0.73 0.00 0.00 -2.27 0.00 0.00 179.45 177.76 1a8r n ALA 184 N -2.50 3.37 -3.82 5.00 0.00 -0.32 -3.83 120.51 118.41 1a8r n ALA 184 Ca -0.09 -1.73 -0.06 0.00 0.00 0.00 0.00 53.44 51.56 1a8r n ALA 184 Cb 0.37 -1.05 -0.01 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 -2.19 1.66 4.30 0.00 3.52 -1.23 -4.96 118.95 120.04 1a8r s ARG 185 Ca 0.53 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1a8r s ARG 185 Cb 0.36 0.53 0.00 0.00 -1.56 0.00 0.00 34.95 34.29 1a8r s ARG 185 CO 0.22 -0.77 0.00 0.41 -0.81 0.00 0.00 175.30 174.35 1a8r n GLY 186 N -0.50 2.16 0.22 8.12 0.00 -1.26 -0.24 105.19 113.69 1a8r n GLY 186 Ca -0.05 0.40 0.15 0.00 0.00 0.00 0.00 46.02 46.52 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 -6.51 -0.61 6.09 -1.85 -3.47 117.51 111.17 1a8r h ILE 187 Ca 0.00 -0.30 -0.50 0.00 -1.37 0.00 0.00 64.86 62.68 1a8r h ILE 187 Cb 0.00 1.16 -0.06 0.00 0.47 0.00 0.00 36.82 38.38 1a8r h ILE 187 CO 0.00 0.00 -0.88 0.54 -3.07 0.00 0.00 178.15 174.74 1a8r n ARG 188 N -2.70 -3.35 -2.74 2.19 1.74 0.67 -4.89 116.66 107.57 1a8r n ARG 188 Ca 0.01 0.41 -0.43 0.00 -0.77 0.00 0.00 57.85 57.06 1a8r n ARG 188 Cb 0.23 -4.60 -0.03 0.00 -1.02 0.00 0.00 32.46 27.03 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 -4.27 6.55 0.46 0.55 -1.08 -0.42 -4.90 116.67 113.57 1a8r s ASP 189 Ca 0.08 0.26 0.26 0.00 -0.52 0.00 0.00 52.55 52.62 1a8r s ASP 189 Cb -0.04 -2.49 0.79 0.00 -1.46 0.00 0.00 42.92 39.72 1a8r s ASP 189 CO 0.89 -1.12 1.77 0.00 0.52 0.00 0.00 175.17 177.23 1a8r h ALA 190 N 9.11 0.97 0.00 3.66 0.00 -1.87 -3.34 119.26 127.79 1a8r h ALA 190 Ca -0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1a8r h ALA 190 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1a8r h ALA 190 CO 1.06 0.14 -1.55 0.25 0.00 0.00 0.00 179.25 179.15 1a8r n THR 191 N -3.18 0.00 -1.57 0.00 -2.24 -1.26 -5.05 114.28 100.98 1a8r n THR 191 Ca 0.02 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 61.17 1a8r n THR 191 Cb 0.46 0.28 0.06 0.00 -2.10 0.00 0.00 70.33 69.02 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 -3.56 5.09 -0.04 3.42 1.04 -1.26 -5.08 113.70 113.31 1a8r s SER 192 Ca -0.04 1.51 -0.21 0.00 0.48 0.00 0.00 55.95 57.69 1a8r s SER 192 Cb 0.10 -2.34 0.04 0.00 0.10 0.00 0.00 66.02 63.92 1a8r s SER 192 CO 0.63 -1.61 0.45 0.00 0.98 0.00 0.00 173.24 173.69 1a8r s ALA 193 N -3.09 -1.16 -0.10 5.32 0.00 -1.26 -4.82 121.76 116.65 1a8r s ALA 193 Ca 0.59 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 1a8r s ALA 193 Cb -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1a8r s ALA 193 CO 0.55 -0.30 -0.03 0.99 0.00 0.00 0.00 175.76 176.97 1a8r s THR 194 N -1.20 3.99 -0.11 0.00 2.01 0.25 -4.92 115.64 115.66 1a8r s THR 194 Ca -0.12 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1a8r s THR 194 Cb -0.03 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.79 1a8r s THR 194 CO 0.06 0.57 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.45 1a8r s THR 195 N -0.46 2.24 0.02 -0.82 2.01 -1.26 -0.59 115.64 116.78 1a8r s THR 195 Ca 0.08 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.17 1a8r s THR 195 Cb -0.12 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 1a8r s THR 195 CO 0.02 0.55 -0.12 0.42 -0.69 0.00 0.00 174.62 174.80 1a8r s THR 196 N 0.45 0.94 0.02 -0.82 -4.23 -0.07 -4.99 115.64 106.94 1a8r s THR 196 Ca -0.15 -0.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.63 1a8r s THR 196 Cb -0.17 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.82 1a8r s THR 196 CO 0.06 0.09 -0.06 0.42 -0.54 0.00 0.00 174.62 174.58 1a8r s THR 197 N -0.61 0.47 -0.17 3.99 -4.23 -1.26 -0.59 115.64 113.25 1a8r s THR 197 Ca 0.02 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1a8r s THR 197 Cb -0.06 -0.47 0.04 0.00 1.34 0.00 0.00 72.50 73.35 1a8r s THR 197 CO 0.00 -0.10 -0.09 -0.44 -0.54 0.00 0.00 174.62 173.45 1a8r s SER 198 N -0.77 2.89 -0.16 3.99 0.01 0.92 -5.00 113.70 115.59 1a8r s SER 198 Ca -0.03 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 56.55 1a8r s SER 198 Cb -0.06 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.10 1a8r s SER 198 CO 0.00 -0.14 -0.07 -0.76 0.41 0.00 0.00 173.24 172.68 1a8r s LEU 199 N 1.54 2.96 0.25 2.44 1.43 -1.26 -0.68 118.68 125.36 1a8r s LEU 199 Ca 0.02 -0.27 0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1a8r s LEU 199 Cb -0.15 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1a8r s LEU 199 CO -0.09 0.12 -0.12 -0.83 0.23 0.00 0.00 176.35 175.67 1a8r s GLY 200 N 0.62 1.76 0.00 -3.19 0.00 0.88 -4.46 107.32 102.93 1a8r s GLY 200 Ca -0.05 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 42.96 1a8r s GLY 200 CO 0.03 -1.78 0.00 0.61 0.00 0.00 0.00 173.10 171.96 1a8r n GLY 201 N -0.51 3.00 0.30 0.20 0.00 -0.63 -1.15 105.19 106.38 1a8r n GLY 201 Ca -0.07 0.05 0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.29 0.99 3.38 -1.93 0.69 115.31 117.15 1a8r h LEU 202 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1a8r h LEU 202 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1a8r h LEU 202 CO 0.00 0.00 -0.35 -0.26 0.09 0.00 0.00 178.44 177.92 1a8r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.40 0.25 116.94 116.97 1a8r h PHE 203 Ca -0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 1a8r h PHE 203 Cb 0.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1a8r h PHE 203 CO 0.00 0.35 -0.81 -0.22 -0.60 0.00 0.00 178.31 177.04 1a8r h LYS 204 N 0.00 0.00 0.36 1.51 1.63 -1.23 -3.34 116.57 115.50 1a8r h LYS 204 Ca -0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1a8r h LYS 204 Cb 0.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1a8r h LYS 204 CO 0.05 0.63 -0.18 0.77 -3.45 0.00 0.00 179.45 177.27 1a8r h SER 205 N -1.00 -0.41 -3.48 4.20 0.02 -0.88 -3.43 113.55 108.56 1a8r h SER 205 Ca -0.18 -0.12 -0.61 0.00 -0.84 0.00 0.00 61.79 60.04 1a8r h SER 205 Cb 0.94 0.11 -0.11 0.00 0.14 0.00 0.00 62.40 63.47 1a8r h SER 205 CO -0.11 -0.11 0.17 -0.55 -1.14 0.00 0.00 176.83 175.09 1a8r s SER 206 N -4.94 6.57 0.33 3.07 0.15 0.87 -4.93 113.70 114.82 1a8r s SER 206 Ca -0.15 0.67 0.07 0.00 0.70 0.00 0.00 55.95 57.24 1a8r s SER 206 Cb 0.03 -2.34 0.57 0.00 -1.71 0.00 0.00 66.02 62.57 1a8r s SER 206 CO 0.57 -0.39 1.79 -0.61 1.20 0.00 0.00 173.24 175.79 1a8r h GLN 207 N 7.94 0.30 -0.25 5.44 4.15 -1.84 0.57 115.11 131.43 1a8r h GLN 207 Ca -0.27 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.05 1a8r h GLN 207 Cb 1.12 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1a8r h GLN 207 CO 0.78 0.54 0.15 -0.97 -1.93 0.00 0.00 178.83 177.40 1a8r h ASN 208 N 0.27 0.30 -0.22 -0.69 -1.24 -1.91 -0.32 115.58 111.76 1a8r h ASN 208 Ca 0.04 -0.05 -0.10 0.00 0.71 0.00 0.00 56.30 56.90 1a8r h ASN 208 Cb 0.60 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 1a8r h ASN 208 CO 0.04 0.26 -0.24 0.74 -1.29 0.00 0.00 177.43 176.95 1a8r h THR 209 N 0.31 1.32 -0.02 -3.57 2.02 -1.73 -2.95 112.91 108.29 1a8r h THR 209 Ca 0.09 -1.41 0.03 0.00 0.77 0.00 0.00 66.41 65.89 1a8r h THR 209 Cb 0.02 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 1a8r h THR 209 CO -0.02 0.44 -0.27 -0.09 0.37 0.00 0.00 175.52 175.95 1a8r h ARG 210 N 0.25 -0.39 0.00 6.66 2.43 -0.75 -2.31 114.38 120.27 1a8r h ARG 210 Ca 0.03 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1a8r h ARG 210 Cb 0.80 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1a8r h ARG 210 CO 0.06 -0.26 -0.00 0.45 -1.51 0.00 0.00 179.97 178.70 1a8r h HIS 211 N -0.41 0.00 -0.17 2.20 3.86 -1.13 -0.82 115.15 118.69 1a8r h HIS 211 Ca 0.07 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 1a8r h HIS 211 Cb 0.50 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1a8r h HIS 211 CO -0.31 0.00 -0.30 0.93 0.86 0.00 0.00 177.93 179.11 1a8r h GLU 212 N 0.00 0.51 0.04 2.45 5.08 -1.27 -0.79 114.58 120.60 1a8r h GLU 212 Ca -0.00 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1a8r h GLU 212 Cb 0.56 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1a8r h GLU 212 CO 0.00 0.92 -0.02 0.35 -1.00 0.00 0.00 179.01 179.26 1a8r h PHE 213 N 0.15 -0.05 -0.89 4.33 3.57 -1.16 -2.50 116.94 120.39 1a8r h PHE 213 Ca 0.01 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1a8r h PHE 213 Cb 0.88 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 1a8r h PHE 213 CO 0.09 0.34 0.56 -0.07 -2.23 0.00 0.00 178.31 177.00 1a8r h LEU 214 N -0.45 0.87 -0.86 0.59 3.38 -1.19 -1.01 115.31 116.65 1a8r h LEU 214 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1a8r h LEU 214 Cb 0.41 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1a8r h LEU 214 CO 0.01 0.55 0.24 -0.09 0.09 0.00 0.00 178.44 179.24 1a8r h ARG 215 N 1.00 1.08 -0.44 1.13 2.43 -1.17 -2.81 114.38 115.61 1a8r h ARG 215 Ca 0.39 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1a8r h ARG 215 Cb 0.20 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1a8r h ARG 215 CO -0.18 0.91 0.12 0.00 -1.51 0.00 0.00 179.97 179.30 1a8r h ALA 216 N 1.21 1.38 -2.54 2.80 0.00 -0.74 -3.45 119.26 117.92 1a8r h ALA 216 Ca 0.23 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.41 1a8r h ALA 216 Cb 0.26 -0.18 0.10 0.00 0.00 0.00 0.00 17.79 17.97 1a8r h ALA 216 CO -0.01 0.45 0.60 0.28 0.00 0.00 0.00 179.25 180.56 1a8r n VAL 217 N -4.32 1.65 -2.54 0.00 0.31 -0.68 -4.33 118.33 108.42 1a8r n VAL 217 Ca 0.03 -0.41 -0.01 0.00 -0.01 0.00 0.00 64.34 63.94 1a8r n VAL 217 Cb 0.19 -1.63 -0.01 0.00 -0.91 0.00 0.00 33.84 31.49 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 1.06 -3.25 -3.79 5.55 3.00 -1.26 -5.03 116.66 112.93 1a8r n ARG 218 Ca 0.06 2.62 -0.30 0.00 -0.00 0.00 0.00 57.85 60.24 1a8r n ARG 218 Cb 0.35 -4.78 -0.15 0.00 0.00 0.00 0.00 32.46 27.88 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 -1.26 1.89 -0.33 -0.14 3.76 -1.26 -5.09 115.29 112.85 1a8r s HIS 219 Ca -0.05 -1.72 -0.35 0.00 -0.15 0.00 0.00 55.06 52.79 1a8r s HIS 219 Cb 0.00 -1.70 -0.11 0.00 1.11 0.00 0.00 32.58 31.88 1a8r s HIS 219 CO 0.69 -0.83 2.17 0.72 -0.85 0.00 0.00 174.74 176.64 1a8r n HIS 220 N 4.80 1.64 -0.18 1.40 8.25 -1.26 -5.03 115.22 124.84 1a8r n HIS 220 Ca -0.04 0.26 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