#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 -4.76 3.54 2.88 -1.26 -5.15 113.62 108.87 1a8r n SER 2 Ca 0.00 -0.21 -0.37 0.00 -1.33 0.00 0.00 58.87 56.96 1a8r n SER 2 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1a8r n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a8r s LEU 3 N 0.00 3.90 1.01 2.46 1.43 -1.26 -5.01 118.68 121.21 1a8r s LEU 3 Ca 0.00 2.44 -0.12 0.00 -1.03 0.00 0.00 54.13 55.42 1a8r s LEU 3 Cb 0.00 -4.32 0.19 0.00 0.03 0.00 0.00 46.19 42.09 1a8r s LEU 3 CO 0.00 -1.22 1.09 -0.94 0.23 0.00 0.00 176.35 175.50 1a8r s SER 4 N -1.30 2.53 0.17 2.29 1.04 -1.26 -4.80 113.70 112.37 1a8r s SER 4 Ca 0.68 1.27 -0.15 0.00 0.48 0.00 0.00 55.95 58.24 1a8r s SER 4 Cb -0.32 -1.95 0.05 0.00 0.10 0.00 0.00 66.02 63.90 1a8r s SER 4 CO 0.38 -3.20 1.83 0.11 0.98 0.00 0.00 173.24 173.33 1a8r h LYS 5 N -1.94 0.62 -0.00 4.02 1.57 -1.99 -1.90 116.57 116.94 1a8r h LYS 5 Ca -0.55 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.20 1a8r h LYS 5 Cb 1.32 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 1a8r h LYS 5 CO 0.56 0.41 0.00 0.93 -0.57 0.00 0.00 179.45 180.78 1a8r h GLU 6 N 0.64 0.00 -0.83 3.15 3.07 -1.97 -0.51 114.58 118.13 1a8r h GLU 6 Ca 0.18 -0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.10 1a8r h GLU 6 Cb -0.06 -0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.78 1a8r h GLU 6 CO -0.04 0.08 0.50 0.00 -1.40 0.00 0.00 179.01 178.14 1a8r h ALA 7 N 0.93 1.14 -0.13 3.43 0.00 -1.88 0.12 119.26 122.86 1a8r h ALA 7 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1a8r h ALA 7 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1a8r h ALA 7 CO -0.00 0.22 0.03 0.00 0.00 0.00 0.00 179.25 179.50 1a8r h ALA 8 N 1.40 0.17 0.29 0.00 0.00 -1.10 -0.89 119.26 119.14 1a8r h ALA 8 Ca 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1a8r h ALA 8 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1a8r h ALA 8 CO -0.19 -0.20 -0.19 -0.07 0.00 0.00 0.00 179.25 178.61 1a8r h LEU 9 N 0.01 -0.47 -0.37 0.00 3.38 -0.54 -1.03 115.31 116.30 1a8r h LEU 9 Ca 0.04 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1a8r h LEU 9 Cb 0.25 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1a8r h LEU 9 CO 0.00 -0.30 0.16 0.58 0.09 0.00 0.00 178.44 178.97 1a8r h VAL 10 N -0.46 0.94 -0.81 1.22 2.07 -1.01 0.87 116.25 119.06 1a8r h VAL 10 Ca -0.03 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1a8r h VAL 10 Cb 0.39 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1a8r h VAL 10 CO 0.02 0.06 0.54 -0.74 0.02 0.00 0.00 177.57 177.47 1a8r h HIS 11 N 0.33 1.01 0.12 1.57 -0.00 -1.06 -0.60 115.15 116.51 1a8r h HIS 11 Ca 0.16 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1a8r h HIS 11 Cb 0.10 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.17 1a8r h HIS 11 CO -0.12 0.62 -0.06 0.93 -0.00 0.00 0.00 177.93 179.31 1a8r h GLU 12 N 1.08 -0.15 -0.66 5.26 5.08 -0.50 -1.42 114.58 123.27 1a8r h GLU 12 Ca 0.31 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.77 1a8r h GLU 12 Cb -0.09 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 1a8r h GLU 12 CO -0.08 0.02 0.29 0.00 -1.00 0.00 0.00 179.01 178.25 1a8r h ALA 13 N 0.57 0.89 -0.51 3.43 0.00 -0.51 0.31 119.26 123.43 1a8r h ALA 13 Ca -0.02 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1a8r h ALA 13 Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1a8r h ALA 13 CO 0.03 -0.13 0.12 -0.07 0.00 0.00 0.00 179.25 179.20 1a8r h LEU 14 N 0.50 0.78 -0.67 0.00 3.38 -0.97 -1.66 115.31 116.67 1a8r h LEU 14 Ca 0.33 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1a8r h LEU 14 Cb 0.39 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1a8r h LEU 14 CO -0.29 0.82 0.26 0.58 0.09 0.00 0.00 178.44 179.89 1a8r h VAL 15 N 0.71 1.24 -0.53 1.22 2.07 -0.63 0.17 116.25 120.51 1a8r h VAL 15 Ca 0.16 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.96 1a8r h VAL 15 Cb 0.34 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1a8r h VAL 15 CO 0.00 0.30 0.28 0.00 0.02 0.00 0.00 177.57 178.17 1a8r h ALA 16 N 1.11 0.68 -0.00 1.67 0.00 -0.70 -1.39 119.26 120.63 1a8r h ALA 16 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1a8r h ALA 16 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1a8r h ALA 16 CO -0.02 -0.05 -0.00 0.54 0.00 0.00 0.00 179.25 179.72 1a8r n ARG 17 N -4.85 0.95 -2.05 0.00 3.00 -0.65 -4.89 116.66 108.16 1a8r n ARG 17 Ca 0.05 -0.07 -0.13 0.00 -0.01 0.00 0.00 57.85 57.68 1a8r n ARG 17 Cb 0.13 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.07 1a8r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a8r n GLY 18 N 1.06 0.18 0.49 -0.13 0.00 -0.53 -4.91 105.19 101.36 1a8r n GLY 18 Ca 0.22 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.83 1.91 -4.76 0.99 4.77 0.53 -4.99 117.00 113.61 1a8r n LEU 19 Ca -0.15 -0.68 -0.38 0.00 -0.03 0.00 0.00 56.01 54.77 1a8r n LEU 19 Cb 0.58 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1a8r n LEU 19 CO 0.19 0.35 0.91 -1.61 -1.33 0.00 0.00 177.39 175.90 1a8r s GLU 20 N -2.43 3.40 0.29 3.23 0.41 -1.21 -4.84 118.70 117.56 1a8r s GLU 20 Ca 0.21 2.02 -0.29 0.00 -0.41 0.00 0.00 54.97 56.50 1a8r s GLU 20 Cb 0.19 -2.31 -0.10 0.00 -1.78 0.00 0.00 34.13 30.12 1a8r s GLU 20 CO 0.53 -0.91 1.33 0.99 -0.49 0.00 0.00 175.26 176.71 1a8r s THR 21 N -1.42 2.79 -0.78 3.63 2.01 -1.26 -4.80 115.64 115.82 1a8r s THR 21 Ca 0.68 0.74 -0.17 0.00 0.31 0.00 0.00 61.69 63.26 1a8r s THR 21 Cb -0.35 -3.47 -0.19 0.00 0.01 0.00 0.00 72.50 68.49 1a8r s THR 21 CO 0.42 0.16 2.05 -2.65 -0.69 0.00 0.00 174.62 173.90 1a8r n PRO 22 N 1.41 0.21 -4.87 4.92 -0.02 -1.26 -4.87 135.00 130.52 1a8r n PRO 22 Ca 0.02 -0.65 -0.25 0.00 -2.02 0.00 0.00 63.50 60.60 1a8r n PRO 22 Cb 0.42 -2.55 -0.15 0.00 -0.02 0.00 0.00 33.50 31.20 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 8.79 2.04 0.01 2.45 2.96 -1.26 -5.14 118.68 128.52 1a8r s LEU 23 Ca 0.86 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 54.34 1a8r s LEU 23 Cb -0.30 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 1a8r s LEU 23 CO 0.23 0.22 0.35 -0.13 -1.32 0.00 0.00 176.35 175.70 1a8r s ARG 24 N -0.43 3.75 0.64 1.98 0.52 -1.26 -5.07 118.95 119.09 1a8r s ARG 24 Ca 0.07 0.20 -0.18 0.00 -0.52 0.00 0.00 55.73 55.30 1a8r s ARG 24 Cb -0.07 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 1a8r s ARG 24 CO -0.01 0.66 1.13 -2.30 0.02 0.00 0.00 175.30 174.80 1a8r n PRO 25 N 1.45 0.93 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.35 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 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 1a8r n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a8r n PRO 26 N -1.61 0.38 -0.16 0.52 -0.02 -1.26 -4.77 135.00 128.08 1a8r n PRO 26 Ca 0.15 -0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.21 1a8r n PRO 26 Cb 0.48 -2.57 0.19 0.00 -0.02 0.00 0.00 33.50 31.58 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 -2.88 -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 0.55 -0.26 0.00 -1.52 0.00 0.00 31.29 31.16 1a8r h VAL 27 CO 1.27 0.29 -0.35 -1.00 0.02 0.00 0.00 177.57 177.80 1a8r s HIS 28 N -5.35 -0.41 -1.48 1.57 3.76 -1.26 -5.05 115.29 107.08 1a8r s HIS 28 Ca -0.10 0.96 -0.10 0.00 -0.15 0.00 0.00 55.06 55.67 1a8r s HIS 28 Cb 0.16 0.14 0.02 0.00 1.11 0.00 0.00 32.58 34.01 1a8r s HIS 28 CO 0.80 -0.22 2.49 0.39 -0.85 0.00 0.00 174.74 177.35 1a8r n GLU 29 N 3.40 3.60 -3.31 1.40 1.02 -1.26 -4.93 120.64 120.56 1a8r n GLU 29 Ca -0.17 -2.73 -0.38 0.00 -0.02 0.00 0.00 57.16 53.85 1a8r n GLU 29 Cb 0.56 -2.93 -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 1.63 4.26 0.31 3.49 1.75 -1.26 -5.03 119.30 124.45 1a8r s MET 30 Ca 0.56 0.54 -0.30 0.00 -1.25 0.00 0.00 55.69 55.25 1a8r s MET 30 Cb 0.16 -3.37 -0.11 0.00 2.84 0.00 0.00 34.83 34.35 1a8r s MET 30 CO -0.07 0.32 1.58 -3.47 -0.65 0.00 0.00 175.02 172.74 1a8r n ASP 31 N 3.02 3.89 -0.45 1.11 -0.08 -1.26 -4.87 116.55 117.91 1a8r n ASP 31 Ca -0.08 1.16 0.38 0.00 -1.51 0.00 0.00 54.79 54.74 1a8r n ASP 31 Cb 0.52 -1.60 0.70 0.00 2.34 0.00 0.00 41.12 43.07 1a8r n ASP 31 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1a8r h ASN 32 N 4.45 0.15 -0.50 1.67 4.21 -2.00 -0.85 115.58 122.72 1a8r h ASN 32 Ca -0.48 0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.11 1a8r h ASN 32 Cb 1.23 0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 38.44 1a8r h ASN 32 CO 0.76 -0.04 0.33 -0.33 -1.29 0.00 0.00 177.43 176.86 1a8r h GLU 33 N 0.09 0.59 0.08 0.81 5.08 -1.99 0.54 114.58 119.79 1a8r h GLU 33 Ca 0.73 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.77 1a8r h GLU 33 Cb 2.58 -0.13 0.03 0.00 0.50 0.00 0.00 28.75 31.73 1a8r h GLU 33 CO -0.18 0.39 -1.17 1.15 -1.00 0.00 0.00 179.01 178.20 1a8r h THR 34 N 0.61 1.28 -0.38 1.13 2.02 -1.51 -1.94 112.91 114.13 1a8r h THR 34 Ca 0.19 -2.39 -0.01 0.00 0.77 0.00 0.00 66.41 64.97 1a8r h THR 34 Cb 0.02 2.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 1a8r h THR 34 CO -0.05 0.73 0.19 0.03 0.37 0.00 0.00 175.52 176.79 1a8r h ARG 35 N 0.32 0.54 -0.93 6.66 3.08 -1.46 -0.86 114.38 121.72 1a8r h ARG 35 Ca -0.17 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 59.82 1a8r h ARG 35 Cb 1.84 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.74 1a8r h ARG 35 CO 0.23 0.47 0.62 0.87 -1.07 0.00 0.00 179.97 181.08 1a8r h LYS 36 N 0.47 1.23 -0.54 0.04 1.57 -0.92 0.50 116.57 118.93 1a8r h LYS 36 Ca 0.13 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1a8r h LYS 36 Cb 0.10 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1a8r h LYS 36 CO -0.02 0.81 -0.11 0.66 -0.57 0.00 0.00 179.45 180.22 1a8r h SER 37 N 1.26 1.02 -0.23 0.86 4.64 -0.89 -0.11 113.55 120.11 1a8r h SER 37 Ca 0.34 -0.34 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1a8r h SER 37 Cb -0.14 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.66 1a8r h SER 37 CO -0.07 1.13 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.89 1a8r h LEU 38 N 0.90 0.44 -0.45 5.97 3.38 -0.75 -1.18 115.31 123.62 1a8r h LEU 38 Ca 0.14 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1a8r h LEU 38 Cb 0.67 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1a8r h LEU 38 CO 0.05 0.70 0.26 0.40 0.09 0.00 0.00 178.44 179.94 1a8r h ILE 39 N 0.17 1.15 -0.57 1.22 2.04 -0.84 -1.53 117.51 119.15 1a8r h ILE 39 Ca 0.06 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1a8r h ILE 39 Cb 0.51 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1a8r h ILE 39 CO 0.02 0.15 0.38 0.00 0.00 0.00 0.00 178.15 178.71 1a8r h ALA 40 N 1.11 1.71 0.07 1.87 0.00 -0.93 -0.04 119.26 123.05 1a8r h ALA 40 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1a8r h ALA 40 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1a8r h ALA 40 CO -0.03 0.22 -0.03 0.78 0.00 0.00 0.00 179.25 180.19 1a8r h GLY 41 N 0.66 -0.09 0.88 0.00 0.00 -0.25 -0.48 103.07 103.79 1a8r h GLY 41 Ca 0.23 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.62 1a8r h GLY 41 CO -0.06 -0.03 0.39 0.45 0.00 0.00 0.00 176.54 177.29 1a8r h HIS 42 N -0.18 0.74 -0.76 5.60 -0.00 -0.54 -1.49 115.15 118.52 1a8r h HIS 42 Ca -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 1a8r h HIS 42 Cb 0.15 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.29 1a8r h HIS 42 CO -0.04 0.42 0.38 0.52 -0.00 0.00 0.00 177.93 179.21 1a8r h MET 43 N 0.78 1.07 -0.12 2.45 2.86 -0.83 -0.89 114.93 120.25 1a8r h MET 43 Ca 0.25 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1a8r h MET 43 Cb 0.01 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 1a8r h MET 43 CO -0.10 0.81 0.00 1.15 1.06 0.00 0.00 176.91 179.83 1a8r h THR 44 N 1.07 0.92 -0.52 2.22 2.02 -0.28 0.19 112.91 118.53 1a8r h THR 44 Ca 0.26 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.48 1a8r h THR 44 Cb 0.08 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 1a8r h THR 44 CO -0.04 0.01 0.26 -0.33 0.37 0.00 0.00 175.52 175.79 1a8r h GLU 45 N 0.05 0.49 0.28 6.66 4.39 -0.93 -1.30 114.58 124.22 1a8r h GLU 45 Ca 0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1a8r h GLU 45 Cb 0.06 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1a8r h GLU 45 CO -0.09 0.33 -0.15 0.82 -1.16 0.00 0.00 179.01 178.76 1a8r h ILE 46 N 0.51 0.69 -0.69 3.13 2.04 -0.67 -0.45 117.51 122.07 1a8r h ILE 46 Ca 0.23 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.17 1a8r h ILE 46 Cb 0.14 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1a8r h ILE 46 CO -0.16 0.00 0.45 0.24 0.00 0.00 0.00 178.15 178.68 1a8r h MET 47 N -0.40 0.61 -0.32 2.37 2.86 -0.73 0.34 114.93 119.66 1a8r h MET 47 Ca -0.03 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 1a8r h MET 47 Cb 0.32 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1a8r h MET 47 CO 0.05 0.41 -0.38 1.96 1.06 0.00 0.00 176.91 180.01 1a8r h GLN 48 N 0.63 0.75 0.00 1.72 4.20 -0.85 0.90 115.11 122.45 1a8r h GLN 48 Ca 0.31 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1a8r h GLN 48 Cb 0.37 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1a8r h GLN 48 CO -0.10 1.00 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.73 1a8r h LEU 49 N 0.62 0.00 -0.87 1.46 3.38 0.69 -0.25 115.31 120.33 1a8r h LEU 49 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1a8r h LEU 49 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1a8r h LEU 49 CO 0.08 0.26 0.00 0.18 0.09 0.00 0.00 178.44 179.05 1a8r n LEU 50 N -3.93 1.29 -1.90 1.67 4.77 -0.18 -4.90 117.00 113.81 1a8r n LEU 50 Ca -0.02 -0.59 -0.20 0.00 -0.03 0.00 0.00 56.01 55.18 1a8r n LEU 50 Cb 0.34 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1a8r n LEU 50 CO 0.35 0.30 -0.22 0.59 -1.33 0.00 0.00 177.39 177.08 1a8r n ASN 51 N 0.13 -5.51 -4.75 -1.43 3.02 -0.10 -4.97 115.26 101.64 1a8r n ASN 51 Ca 0.13 0.22 -0.40 0.00 -0.03 0.00 0.00 54.58 54.49 1a8r n ASN 51 Cb 0.24 -4.64 -0.06 0.00 -0.61 0.00 0.00 39.78 34.71 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 -5.11 4.62 -0.98 3.41 1.43 0.27 -4.96 118.68 117.36 1a8r s LEU 52 Ca 0.00 1.98 -0.22 0.00 -1.03 0.00 0.00 54.13 54.86 1a8r s LEU 52 Cb 0.00 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.68 1a8r s LEU 52 CO 0.00 0.10 1.34 -0.62 0.23 0.00 0.00 176.35 177.40 1a8r s ASP 53 N -1.02 6.52 0.00 2.29 2.15 -1.26 -4.56 116.67 120.79 1a8r s ASP 53 Ca 0.42 -1.59 0.04 0.00 0.43 0.00 0.00 52.55 51.85 1a8r s ASP 53 Cb -0.27 -2.52 0.17 0.00 -0.30 0.00 0.00 42.92 40.01 1a8r s ASP 53 CO 0.33 -1.39 1.05 0.18 -0.17 0.00 0.00 175.17 175.18 1a8r n LEU 54 N 8.20 0.00 0.19 -1.34 4.77 -1.26 -1.44 117.00 126.13 1a8r n LEU 54 Ca 0.29 0.42 0.08 0.00 -0.03 0.00 0.00 56.01 56.77 1a8r n LEU 54 Cb 0.50 -0.42 0.24 0.00 -2.33 0.00 0.00 43.42 41.41 1a8r n LEU 54 CO 0.62 -0.37 0.68 0.00 -1.33 0.00 0.00 177.39 176.99 1a8r h ALA 55 N 2.15 0.88 -2.93 -1.18 0.00 -1.92 -3.19 119.26 113.06 1a8r h ALA 55 Ca 0.00 -0.26 -0.54 0.00 0.00 0.00 0.00 54.91 54.12 1a8r h ALA 55 Cb 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 17.79 17.90 1a8r h ALA 55 CO 0.00 0.35 0.73 0.34 0.00 0.00 0.00 179.25 180.67 1a8r s ASP 56 N -6.28 6.39 0.31 0.00 2.15 -0.52 -4.81 116.67 113.91 1a8r s ASP 56 Ca 0.03 2.94 0.01 0.00 0.43 0.00 0.00 52.55 55.96 1a8r s ASP 56 Cb 0.08 -2.66 0.53 0.00 -0.30 0.00 0.00 42.92 40.57 1a8r s ASP 56 CO 0.68 -0.83 1.93 -2.24 -0.17 0.00 0.00 175.17 174.54 1a8r h ASP 57 N 2.99 0.89 0.21 -0.34 2.03 -1.89 0.52 116.42 120.83 1a8r h ASP 57 Ca -0.50 -0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.68 1a8r h ASP 57 Cb 1.24 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 1a8r h ASP 57 CO 0.64 0.59 -0.42 -1.28 -1.03 0.00 0.00 179.24 177.74 1a8r h SER 58 N 1.02 0.29 0.47 4.15 0.87 -1.95 -3.29 113.55 115.11 1a8r h SER 58 Ca 0.36 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1a8r h SER 58 Cb 0.13 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1a8r h SER 58 CO -0.12 0.68 -1.54 0.18 -0.53 0.00 0.00 176.83 175.50 1a8r n LEU 59 N -4.02 0.41 -0.19 2.23 4.77 -0.91 -4.56 117.00 114.73 1a8r n LEU 59 Ca -0.02 0.16 -0.01 0.00 -0.03 0.00 0.00 56.01 56.12 1a8r n LEU 59 Cb 0.49 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1a8r n LEU 59 CO 0.42 -0.08 0.79 -0.03 -1.33 0.00 0.00 177.39 177.16 1a8r h MET 60 N 0.00 0.05 -0.14 3.23 4.05 -0.90 -2.38 114.93 118.84 1a8r h MET 60 Ca -0.01 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1a8r h MET 60 Cb 1.03 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 1a8r h MET 60 CO 0.00 0.03 0.00 0.39 0.23 0.00 0.00 176.91 177.56 1a8r n GLU 61 N -5.35 1.74 0.06 0.39 -0.58 -1.26 -4.50 120.64 111.14 1a8r n GLU 61 Ca 0.07 -1.11 -0.11 0.00 -0.42 0.00 0.00 57.16 55.59 1a8r n GLU 61 Cb 0.32 -1.42 -0.05 0.00 -0.57 0.00 0.00 31.44 29.73 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 2.33 0.74 -0.91 2.62 2.02 -1.67 -0.82 112.91 117.22 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 0.51 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 67.59 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 -0.19 0.69 -0.21 6.66 0.11 -1.79 0.52 132.00 137.79 1a8r h PRO 63 Ca 0.03 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 1a8r h PRO 63 Cb 0.23 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 1a8r h PRO 63 CO -0.09 0.46 -0.27 1.25 -0.21 0.00 0.00 178.00 179.13 1a8r h HIS 64 N 0.71 0.67 -0.81 0.65 -0.00 -1.77 -1.83 115.15 112.77 1a8r h HIS 64 Ca 0.46 -0.22 -0.02 0.00 -0.00 0.00 0.00 60.37 60.59 1a8r h HIS 64 Cb 0.73 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.97 1a8r h HIS 64 CO -0.00 0.92 0.42 0.00 -0.00 0.00 0.00 177.93 179.27 1a8r h ARG 65 N 0.22 1.14 -0.10 5.26 3.08 0.06 -1.09 114.38 122.95 1a8r h ARG 65 Ca 0.02 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1a8r h ARG 65 Cb 0.84 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1a8r h ARG 65 CO 0.06 0.85 -0.09 0.82 -1.07 0.00 0.00 179.97 180.54 1a8r h ILE 66 N 1.14 1.36 -0.60 2.04 2.04 -0.92 -0.81 117.51 121.76 1a8r h ILE 66 Ca 0.28 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.94 1a8r h ILE 66 Cb 0.06 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 1a8r h ILE 66 CO -0.04 0.35 0.33 0.00 0.00 0.00 0.00 178.15 178.79 1a8r h ALA 67 N 0.58 0.78 -0.79 1.87 0.00 -1.21 -0.24 119.26 120.25 1a8r h ALA 67 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1a8r h ALA 67 Cb 0.61 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1a8r h ALA 67 CO 0.02 0.02 0.32 -0.22 0.00 0.00 0.00 179.25 179.40 1a8r h LYS 68 N 0.64 1.18 -0.10 0.00 3.64 -1.17 -1.96 116.57 118.80 1a8r h LYS 68 Ca 0.26 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1a8r h LYS 68 Cb 0.11 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1a8r h LYS 68 CO -0.15 0.95 0.04 1.98 -2.27 0.00 0.00 179.45 180.01 1a8r h MET 69 N 1.14 0.14 0.64 1.90 4.05 -0.28 0.18 114.93 122.70 1a8r h MET 69 Ca 0.26 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.63 1a8r h MET 69 Cb 0.21 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1a8r h MET 69 CO -0.02 0.23 -0.31 1.88 0.23 0.00 0.00 176.91 178.92 1a8r h TYR 70 N 0.02 -0.79 -0.04 1.39 0.05 -0.99 0.29 116.97 116.89 1a8r h TYR 70 Ca 0.03 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 1a8r h TYR 70 Cb 0.14 0.26 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 1a8r h TYR 70 CO -0.03 -0.46 -0.05 0.28 -1.05 0.00 0.00 178.16 176.85 1a8r h VAL 71 N -0.94 1.39 0.00 -2.88 2.07 -1.41 -3.22 116.25 111.26 1a8r h VAL 71 Ca -0.09 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1a8r h VAL 71 Cb 0.68 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1a8r h VAL 71 CO 0.14 0.34 -1.63 0.47 0.02 0.00 0.00 177.57 176.90 1a8r n ASP 72 N -4.75 0.30 0.00 0.57 8.00 0.61 -4.53 116.55 116.75 1a8r n ASP 72 Ca -0.08 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1a8r n ASP 72 Cb 0.30 1.49 0.00 0.00 -0.02 0.00 0.00 41.12 42.89 1a8r n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1a8r n GLU 73 N -2.28 0.00 0.28 -1.24 1.02 -0.21 -4.57 120.64 113.64 1a8r n GLU 73 Ca -0.02 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.30 1a8r n GLU 73 Cb 0.54 0.00 0.96 0.00 -0.02 0.00 0.00 31.44 32.91 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 0.26 -0.27 -3.67 3.07 -1.25 -1.31 117.51 114.35 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 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 37.43 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 -3.45 0.71 0.08 0.16 3.72 -1.22 -2.56 117.46 114.91 1a8r n PHE 75 Ca -0.01 -0.74 0.20 0.00 -0.05 0.00 0.00 57.45 56.84 1a8r n PHE 75 Cb 0.23 -0.20 0.74 0.00 -0.94 0.00 0.00 39.48 39.31 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 1.74 0.00 0.62 4.37 4.64 -1.25 -0.72 113.55 122.95 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 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1a8r h SER 76 CO 0.13 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.32 1a8r h GLY 77 N 0.00 0.00 2.00 -0.77 0.00 -1.30 -2.50 103.07 100.50 1a8r h GLY 77 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1a8r h GLY 77 CO -0.00 0.00 -0.10 1.41 0.00 0.00 0.00 176.54 177.85 1a8r h LEU 78 N 0.00 0.00 -8.52 3.11 3.38 -1.23 -3.41 115.31 108.64 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 0.31 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.84 1a8r h LEU 78 CO 0.00 0.10 -0.48 -0.62 0.09 0.00 0.00 178.44 177.53 1a8r s ASP 79 N -5.91 5.92 0.00 -0.43 2.15 -0.94 -4.95 116.67 112.50 1a8r s ASP 79 Ca -0.00 -0.76 0.06 0.00 0.43 0.00 0.00 52.55 52.28 1a8r s ASP 79 Cb 0.11 -2.10 0.37 0.00 -0.30 0.00 0.00 42.92 41.00 1a8r s ASP 79 CO 0.57 -0.34 0.91 -1.22 -0.17 0.00 0.00 175.17 174.91 1a8r n TYR 80 N 5.08 0.00 0.21 -5.34 4.02 -1.26 -0.58 117.16 119.29 1a8r n TYR 80 Ca -0.12 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.86 1a8r n TYR 80 Cb 0.48 -0.08 0.41 0.00 -0.02 0.00 0.00 39.34 40.12 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 2.37 0.98 -0.01 -0.72 0.00 -1.92 -2.78 119.26 117.18 1a8r h ALA 81 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1a8r h ALA 81 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a8r h ALA 81 CO 0.00 0.31 -0.04 0.09 0.00 0.00 0.00 179.25 179.61 1a8r n ASN 82 N -3.36 1.50 -4.72 0.00 3.02 0.25 -4.96 115.26 106.99 1a8r n ASN 82 Ca 0.00 -1.44 -0.42 0.00 -0.03 0.00 0.00 54.58 52.69 1a8r n ASN 82 Cb 0.46 0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.64 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 0.11 2.51 -1.64 3.10 7.35 -1.05 -4.92 117.46 122.92 1a8r n PHE 83 Ca 0.18 0.48 -0.36 0.00 -0.76 0.00 0.00 57.45 56.99 1a8r n PHE 83 Cb 0.36 -2.47 0.08 0.00 0.35 0.00 0.00 39.48 37.80 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 -1.62 2.41 -0.33 -7.13 0.04 -1.26 -4.95 135.00 122.17 1a8r s PRO 84 Ca 0.57 1.92 -0.29 0.00 0.04 0.00 0.00 61.00 63.25 1a8r s PRO 84 Cb -0.55 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.16 1a8r s PRO 84 CO 0.60 -1.66 1.06 0.15 0.04 0.00 0.00 177.00 177.18 1a8r s LYS 85 N -3.58 4.04 -0.10 4.56 1.02 -1.26 -4.93 119.74 119.49 1a8r s LYS 85 Ca 0.79 1.01 -0.23 0.00 0.02 0.00 0.00 55.97 57.56 1a8r s LYS 85 Cb -0.33 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.19 1a8r s LYS 85 CO 0.41 -0.92 0.68 0.42 -0.92 0.00 0.00 175.35 175.02 1a8r s ILE 86 N 3.66 5.05 -0.03 2.17 -1.09 -1.26 -4.96 121.20 124.74 1a8r s ILE 86 Ca 0.45 1.37 0.04 0.00 -2.23 0.00 0.00 60.65 60.27 1a8r s ILE 86 Cb -0.12 -4.01 -0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1a8r s ILE 86 CO 0.16 0.23 -0.14 0.42 -1.23 0.00 0.00 174.94 174.38 1a8r s THR 87 N 1.01 1.14 0.28 2.92 -4.23 -1.26 -5.09 115.64 110.42 1a8r s THR 87 Ca 0.35 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 60.32 1a8r s THR 87 Cb -0.17 -0.99 -0.06 0.00 1.34 0.00 0.00 72.50 72.63 1a8r s THR 87 CO 0.16 0.34 0.06 -0.76 -0.54 0.00 0.00 174.62 173.88 1a8r s LEU 88 N 0.02 1.95 0.04 4.79 1.43 -1.26 -1.40 118.68 124.24 1a8r s LEU 88 Ca -0.02 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 1a8r s LEU 88 Cb -0.09 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 1a8r s LEU 88 CO 0.01 -0.64 -0.04 0.27 0.23 0.00 0.00 176.35 176.18 1a8r s ILE 89 N -3.52 0.25 0.22 -0.59 -4.36 -0.17 -4.95 121.20 108.09 1a8r s ILE 89 Ca 0.35 -1.34 -0.31 0.00 -0.26 0.00 0.00 60.65 59.09 1a8r s ILE 89 Cb 0.08 -0.88 -0.10 0.00 1.25 0.00 0.00 42.46 42.81 1a8r s ILE 89 CO 0.13 -0.70 1.50 -0.70 0.24 0.00 0.00 174.94 175.41 1a8r s GLU 90 N -2.57 4.24 -1.31 0.37 2.12 -1.26 -0.83 118.70 119.45 1a8r s GLU 90 Ca -0.05 2.34 -0.10 0.00 0.36 0.00 0.00 54.97 57.53 1a8r s GLU 90 Cb -0.02 -3.12 -0.06 0.00 0.26 0.00 0.00 34.13 31.18 1a8r s GLU 90 CO -0.04 -0.50 2.51 -1.71 -0.54 0.00 0.00 175.26 174.97 1a8r n ASN 91 N 2.91 6.34 0.22 -1.70 5.15 0.28 -4.50 115.26 123.96 1a8r n ASN 91 Ca 0.09 -2.54 0.08 0.00 -0.60 0.00 0.00 54.58 51.61 1a8r n ASN 91 Cb 0.39 -1.39 0.48 0.00 -0.53 0.00 0.00 39.78 38.73 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 5.80 0.00 0.00 1.20 1.57 -1.89 -1.93 116.57 121.32 1a8r h LYS 92 Ca 0.68 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 1a8r h LYS 92 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1a8r h LYS 92 CO 1.71 0.27 0.00 0.52 -0.57 0.00 0.00 179.45 181.39 1a8r h MET 93 N 0.00 0.00 -5.90 3.15 2.86 -2.00 -3.46 114.93 109.59 1a8r h MET 93 Ca -0.00 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.25 1a8r h MET 93 Cb 0.65 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.42 1a8r h MET 93 CO 0.04 0.00 -0.79 1.63 1.06 0.00 0.00 176.91 178.85 1a8r n LYS 94 N -2.38 -5.96 -2.55 1.72 5.02 -0.73 -4.92 118.16 108.37 1a8r n LYS 94 Ca 0.01 0.73 -0.43 0.00 -2.02 0.00 0.00 58.31 56.61 1a8r n LYS 94 Cb 0.21 -5.56 -0.02 0.00 -0.02 0.00 0.00 35.03 29.65 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 -3.48 4.46 -0.16 -0.18 1.01 -1.26 -4.87 120.40 115.91 1a8r s VAL 95 Ca 0.10 1.74 0.14 0.00 0.00 0.00 0.00 61.98 63.97 1a8r s VAL 95 Cb -0.05 -4.19 0.41 0.00 0.00 0.00 0.00 36.38 32.55 1a8r s VAL 95 CO 0.77 -0.23 1.21 -0.90 0.00 0.00 0.00 175.10 175.95 1a8r n ASP 96 N 6.63 1.58 -4.28 3.32 5.75 -1.26 -4.13 116.55 124.15 1a8r n ASP 96 Ca 0.13 -3.49 -0.25 0.00 -0.01 0.00 0.00 54.79 51.17 1a8r n ASP 96 Cb 0.46 -0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 39.94 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 -2.56 1.25 0.59 0.11 0.41 -1.26 -4.94 118.70 112.29 1a8r s GLU 97 Ca 0.37 -1.08 -0.19 0.00 -0.41 0.00 0.00 54.97 53.66 1a8r s GLU 97 Cb 0.37 -1.47 -0.04 0.00 -1.78 0.00 0.00 34.13 31.21 1a8r s GLU 97 CO -0.09 0.36 1.21 0.00 -0.49 0.00 0.00 175.26 176.25 1a8r s MET 98 N -1.60 3.01 -0.15 1.61 0.23 -1.26 -4.29 119.30 116.85 1a8r s MET 98 Ca 0.07 1.84 -0.01 0.00 -1.03 0.00 0.00 55.69 56.56 1a8r s MET 98 Cb -0.09 -1.95 -0.01 0.00 -1.53 0.00 0.00 34.83 31.24 1a8r s MET 98 CO 0.03 -1.18 -0.11 0.08 -2.03 0.00 0.00 175.02 171.81 1a8r s VAL 99 N -1.58 3.16 -0.07 5.16 1.01 0.45 -4.93 120.40 123.60 1a8r s VAL 99 Ca 0.77 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.18 1a8r s VAL 99 Cb -0.31 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 1a8r s VAL 99 CO 0.33 0.51 -0.22 -0.89 0.00 0.00 0.00 175.10 174.83 1a8r s THR 100 N 0.51 1.87 -0.30 3.92 2.01 -1.26 -1.83 115.64 120.56 1a8r s THR 100 Ca -0.08 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 1a8r s THR 100 Cb -0.15 -1.60 0.05 0.00 0.01 0.00 0.00 72.50 70.80 1a8r s THR 100 CO 0.04 0.52 0.00 -0.69 -0.69 0.00 0.00 174.62 173.80 1a8r s VAL 101 N 0.07 3.04 0.23 3.82 1.01 0.67 -4.99 120.40 124.25 1a8r s VAL 101 Ca -0.09 -1.35 0.06 0.00 0.00 0.00 0.00 61.98 60.61 1a8r s VAL 101 Cb -0.15 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1a8r s VAL 101 CO 0.05 -0.09 0.20 0.00 0.00 0.00 0.00 175.10 175.26 1a8r s ARG 102 N 1.27 2.99 -1.37 2.72 1.70 -1.26 -1.06 118.95 123.94 1a8r s ARG 102 Ca -0.05 -0.96 -0.07 0.00 -0.47 0.00 0.00 55.73 54.18 1a8r s ARG 102 Cb -0.20 -2.63 0.03 0.00 -0.57 0.00 0.00 34.95 31.58 1a8r s ARG 102 CO -0.01 0.43 1.01 -0.25 -1.08 0.00 0.00 175.30 175.40 1a8r n ASP 103 N -0.99 -4.15 -4.70 -2.89 8.00 -0.99 -4.95 116.55 105.88 1a8r n ASP 103 Ca -0.08 -0.67 -0.42 0.00 0.71 0.00 0.00 54.79 54.32 1a8r n ASP 103 Cb 0.57 -4.56 -0.03 0.00 -0.02 0.00 0.00 41.12 37.08 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 -3.39 4.18 0.30 0.53 1.01 0.07 -4.80 121.20 119.10 1a8r s ILE 104 Ca 0.39 1.54 -0.30 0.00 0.00 0.00 0.00 60.65 62.28 1a8r s ILE 104 Cb -0.18 -3.99 -0.11 0.00 0.01 0.00 0.00 42.46 38.19 1a8r s ILE 104 CO 0.77 0.04 1.59 -0.89 0.00 0.00 0.00 174.94 176.45 1a8r s THR 105 N 1.80 2.07 -0.05 2.92 2.01 -1.26 -1.37 115.64 121.75 1a8r s THR 105 Ca 0.57 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.61 1a8r s THR 105 Cb -0.26 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.24 1a8r s THR 105 CO 0.25 0.01 0.03 -0.22 -0.69 0.00 0.00 174.62 174.00 1a8r s LEU 106 N -0.59 0.41 -0.12 4.42 0.20 -0.72 -4.77 118.68 117.51 1a8r s LEU 106 Ca 0.63 0.01 0.01 0.00 0.69 0.00 0.00 54.13 55.47 1a8r s LEU 106 Cb -0.48 -0.27 0.02 0.00 -0.43 0.00 0.00 46.19 45.03 1a8r s LEU 106 CO 0.49 -0.21 -0.15 0.42 -0.29 0.00 0.00 176.35 176.60 1a8r s THR 107 N 1.99 1.55 0.20 3.68 -4.23 -1.26 -0.65 115.64 116.91 1a8r s THR 107 Ca 0.04 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 1a8r s THR 107 Cb -0.12 -1.43 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 1a8r s THR 107 CO -0.04 0.45 0.21 -0.24 -0.54 0.00 0.00 174.62 174.46 1a8r n SER 108 N 4.38 -0.55 -3.92 3.99 2.88 -0.32 -4.20 113.62 115.86 1a8r n SER 108 Ca -0.18 -2.22 -0.18 0.00 -1.33 0.00 0.00 58.87 54.96 1a8r n SER 108 Cb 0.51 1.16 -0.15 0.00 -0.75 0.00 0.00 64.21 64.98 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 -2.74 0.45 0.29 2.46 2.01 -1.24 -0.92 115.64 115.94 1a8r s THR 109 Ca 0.21 -0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.77 1a8r s THR 109 Cb 0.01 -0.43 -0.09 0.00 0.01 0.00 0.00 72.50 71.99 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 0.99 0.06 0.07 0.00 0.28 -0.48 -1.04 120.64 120.52 1a8r n GLU 111 Ca 0.00 -0.01 -0.17 0.00 -0.16 0.00 0.00 57.16 56.81 1a8r n GLU 111 Cb 0.48 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.77 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 0.03 0.71 0.00 -1.84 4.64 -1.93 -3.39 113.55 111.78 1a8r h SER 112 Ca 0.00 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1a8r h SER 112 Cb 0.48 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1a8r h SER 112 CO 0.00 1.40 0.00 1.41 -0.87 0.00 0.00 176.83 178.77 1a8r n HIS 113 N -3.77 0.00 -3.52 4.77 8.25 -1.25 -5.02 115.22 114.67 1a8r n HIS 113 Ca -0.09 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.17 1a8r n HIS 113 Cb 0.89 0.00 0.08 0.00 1.12 0.00 0.00 29.99 32.08 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 -0.25 -2.33 -4.43 4.41 3.01 -0.20 -5.01 117.46 112.66 1a8r n PHE 114 Ca 0.00 0.95 -0.24 0.00 1.01 0.00 0.00 57.45 59.17 1a8r n PHE 114 Cb 0.06 -4.95 -0.09 0.00 -0.01 0.00 0.00 39.48 34.49 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 -3.39 2.67 0.40 -4.37 1.01 -1.23 -4.88 120.40 110.62 1a8r s VAL 115 Ca 0.17 -2.26 -0.27 0.00 0.00 0.00 0.00 61.98 59.62 1a8r s VAL 115 Cb -0.08 -2.48 -0.10 0.00 0.00 0.00 0.00 36.38 33.72 1a8r s VAL 115 CO 0.74 -0.36 1.42 0.41 0.00 0.00 0.00 175.10 177.31 1a8r n THR 116 N -0.72 2.31 -3.99 3.92 -1.04 -1.26 -1.04 114.28 112.46 1a8r n THR 116 Ca -0.05 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.18 1a8r n THR 116 Cb 0.60 -1.83 -0.17 0.00 -1.82 0.00 0.00 70.33 67.12 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 -1.15 1.26 -0.24 12.58 1.01 -0.10 -1.42 121.20 133.15 1a8r s ILE 117 Ca 0.57 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.75 1a8r s ILE 117 Cb -0.48 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 40.77 1a8r s ILE 117 CO 0.61 0.41 -0.05 -0.62 0.00 0.00 0.00 174.94 175.28 1a8r s ASP 118 N 1.56 4.28 0.22 3.58 2.15 -0.36 -1.18 116.67 126.93 1a8r s ASP 118 Ca 0.04 -0.65 0.02 0.00 0.43 0.00 0.00 52.55 52.38 1a8r s ASP 118 Cb -0.13 -1.70 -0.01 0.00 -0.30 0.00 0.00 42.92 40.79 1a8r s ASP 118 CO -0.09 -0.08 0.25 0.61 -0.17 0.00 0.00 175.17 175.69 1a8r n GLY 119 N 4.73 2.88 2.98 2.66 0.00 0.17 -0.51 105.19 118.10 1a8r n GLY 119 Ca -0.17 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.67 0.13 0.19 1.61 1.02 0.19 -1.76 119.74 118.45 1a8r s LYS 120 Ca 0.22 0.27 0.08 0.00 0.02 0.00 0.00 55.97 56.56 1a8r s LYS 120 Cb 0.00 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.24 1a8r s LYS 120 CO 0.15 -0.08 -0.05 0.00 -0.92 0.00 0.00 175.35 174.46 1a8r s ALA 121 N 0.53 3.08 -0.08 5.17 0.00 -0.47 -1.31 121.76 128.68 1a8r s ALA 121 Ca -0.04 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.48 1a8r s ALA 121 Cb -0.05 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.24 1a8r s ALA 121 CO -0.02 0.45 -0.07 0.99 0.00 0.00 0.00 175.76 177.11 1a8r s THR 122 N -1.78 0.87 -0.04 0.00 2.01 0.70 -0.75 115.64 116.66 1a8r s THR 122 Ca 0.27 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1a8r s THR 122 Cb -0.09 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.56 1a8r s THR 122 CO 0.17 0.32 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.60 1a8r s VAL 123 N 1.24 1.13 0.06 3.82 1.01 -0.23 -0.85 120.40 126.59 1a8r s VAL 123 Ca -0.05 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1a8r s VAL 123 Cb -0.14 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1a8r s VAL 123 CO -0.02 0.34 -0.08 0.00 0.00 0.00 0.00 175.10 175.33 1a8r s ALA 124 N 0.17 0.73 0.01 5.51 0.00 -0.58 -0.24 121.76 127.37 1a8r s ALA 124 Ca -0.05 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 1a8r s ALA 124 Cb -0.11 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.13 1a8r s ALA 124 CO 0.02 -0.05 0.61 1.52 0.00 0.00 0.00 175.76 177.85 1a8r s TYR 125 N -1.89 -0.55 -0.27 0.00 1.13 -0.76 -0.80 117.35 114.21 1a8r s TYR 125 Ca -0.04 0.79 -0.09 0.00 -1.41 0.00 0.00 57.07 56.32 1a8r s TYR 125 Cb -0.07 0.40 -0.03 0.00 -1.10 0.00 0.00 41.96 41.16 1a8r s TYR 125 CO -0.01 -0.64 0.12 0.42 -2.51 0.00 0.00 175.55 172.93 1a8r s ILE 126 N -1.91 4.64 0.20 -3.49 1.01 -0.81 -0.41 121.20 120.43 1a8r s ILE 126 Ca -0.08 -0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 1a8r s ILE 126 Cb -0.01 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.14 1a8r s ILE 126 CO 0.03 0.27 1.54 -2.84 0.00 0.00 0.00 174.94 173.94 1a8r s PRO 127 N 1.66 4.22 0.00 2.79 0.02 -1.26 -4.86 135.00 137.57 1a8r s PRO 127 Ca 0.06 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1a8r s PRO 127 Cb -0.16 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1a8r s PRO 127 CO 0.06 -0.56 0.00 1.17 -0.33 0.00 0.00 177.00 177.34 1a8r n LYS 128 N 3.37 0.00 -0.01 5.54 4.81 -1.26 -4.53 118.16 126.07 1a8r n LYS 128 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.51 1a8r n LYS 128 Cb 0.39 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.32 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 0.63 -4.27 3.14 8.00 -1.26 -4.81 116.55 117.97 1a8r n ASP 129 Ca 0.00 0.29 -0.18 0.00 0.71 0.00 0.00 54.79 55.60 1a8r n ASP 129 Cb 0.00 0.39 -0.11 0.00 -0.02 0.00 0.00 41.12 41.38 1a8r n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1a8r s SER 130 N -5.73 2.17 -0.19 -2.24 1.04 -1.26 -0.55 113.70 106.93 1a8r s SER 130 Ca -0.05 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 1a8r s SER 130 Cb 0.08 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1a8r s SER 130 CO 0.83 -0.14 -0.06 -0.69 0.98 0.00 0.00 173.24 174.16 1a8r s VAL 131 N -2.30 3.42 0.42 5.02 1.01 -0.01 -4.74 120.40 123.22 1a8r s VAL 131 Ca 0.12 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1a8r s VAL 131 Cb -0.04 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 1a8r s VAL 131 CO 0.04 0.45 0.83 -0.51 0.00 0.00 0.00 175.10 175.92 1a8r s ILE 132 N 1.06 4.68 0.08 2.22 2.07 -1.26 -1.00 121.20 129.04 1a8r s ILE 132 Ca 0.01 0.89 -0.31 0.00 -1.41 0.00 0.00 60.65 59.83 1a8r s ILE 132 Cb -0.15 -3.70 -0.07 0.00 0.13 0.00 0.00 42.46 38.67 1a8r s ILE 132 CO -0.00 -0.50 1.45 -0.83 -1.91 0.00 0.00 174.94 173.15 1a8r s GLY 133 N -2.93 1.83 0.20 1.50 0.00 -0.49 -4.92 107.32 102.51 1a8r s GLY 133 Ca 0.54 1.09 -0.19 0.00 0.00 0.00 0.00 44.72 46.16 1a8r s GLY 133 CO 0.28 2.52 1.58 1.41 0.00 0.00 0.00 173.10 178.89 1a8r h LEU 134 N 7.56 -1.17 -2.52 0.66 3.38 -1.94 0.72 115.31 122.01 1a8r h LEU 134 Ca -0.41 0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1a8r h LEU 134 Cb 1.20 0.60 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 1a8r h LEU 134 CO 0.89 -0.30 0.09 0.77 0.09 0.00 0.00 178.44 179.99 1a8r h SER 135 N -0.11 0.00 -0.22 -0.43 4.64 -1.99 -1.15 113.55 114.28 1a8r h SER 135 Ca 0.27 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.53 1a8r h SER 135 Cb 0.56 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1a8r h SER 135 CO -0.75 0.00 -0.04 0.11 -0.87 0.00 0.00 176.83 175.28 1a8r h LYS 136 N 0.00 0.56 -0.18 4.77 1.79 -1.22 -0.25 116.57 122.03 1a8r h LYS 136 Ca 0.02 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 1a8r h LYS 136 Cb 0.20 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1a8r h LYS 136 CO -0.00 0.61 0.09 0.82 -1.08 0.00 0.00 179.45 179.90 1a8r h ILE 137 N 0.53 1.12 -0.13 1.86 2.04 -1.26 0.39 117.51 122.05 1a8r h ILE 137 Ca 0.11 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1a8r h ILE 137 Cb 0.40 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1a8r h ILE 137 CO 0.02 0.12 0.09 0.78 0.00 0.00 0.00 178.15 179.15 1a8r h ASN 138 N 0.18 0.16 -0.92 1.72 2.35 -1.49 -2.07 115.58 115.50 1a8r h ASN 138 Ca 0.06 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1a8r h ASN 138 Cb 0.10 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1a8r h ASN 138 CO -0.01 0.13 0.56 0.03 -1.65 0.00 0.00 177.43 176.49 1a8r h ARG 139 N 0.17 1.25 -0.45 0.81 3.08 -0.86 -0.49 114.38 117.88 1a8r h ARG 139 Ca 0.05 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1a8r h ARG 139 Cb -0.00 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 1a8r h ARG 139 CO -0.01 0.87 0.12 0.82 -1.07 0.00 0.00 179.97 180.69 1a8r h ILE 140 N 1.27 1.23 -0.17 2.04 2.04 -0.70 0.33 117.51 123.55 1a8r h ILE 140 Ca 0.33 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1a8r h ILE 140 Cb -0.06 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1a8r h ILE 140 CO -0.06 0.28 0.01 0.58 0.00 0.00 0.00 178.15 178.96 1a8r h VAL 141 N 0.60 0.89 0.00 1.67 2.07 -1.05 -1.43 116.25 119.00 1a8r h VAL 141 Ca 0.14 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 1a8r h VAL 141 Cb 0.31 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1a8r h VAL 141 CO -0.00 0.01 -0.25 1.56 0.02 0.00 0.00 177.57 178.91 1a8r h GLN 142 N 0.07 0.00 0.43 1.57 1.08 -0.84 -1.02 115.11 116.40 1a8r h GLN 142 Ca 0.08 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1a8r h GLN 142 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1a8r h GLN 142 CO -0.13 0.25 -0.21 0.35 -0.95 0.00 0.00 178.83 178.15 1a8r h PHE 143 N 0.00 -0.53 0.00 2.96 3.57 0.70 -1.90 116.94 121.74 1a8r h PHE 143 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1a8r h PHE 143 Cb 0.54 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1a8r h PHE 143 CO 0.00 -0.23 -0.34 0.74 -2.23 0.00 0.00 178.31 176.26 1a8r h PHE 144 N -0.81 0.00 -0.48 0.41 0.04 -1.31 -3.02 116.94 111.77 1a8r h PHE 144 Ca -0.06 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.63 1a8r h PHE 144 Cb 0.55 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 1a8r h PHE 144 CO 0.00 0.34 -0.04 0.00 -0.60 0.00 0.00 178.31 178.01 1a8r h ALA 145 N 1.66 1.02 0.00 2.45 0.00 -1.05 -3.32 119.26 120.03 1a8r h ALA 145 Ca -0.00 -0.29 -0.63 0.00 0.00 0.00 0.00 54.91 53.99 1a8r h ALA 145 Cb 0.73 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1a8r h ALA 145 CO 0.04 0.60 2.88 1.04 0.00 0.00 0.00 179.25 183.81 1a8r n GLN 146 N -4.19 2.40 -3.57 0.00 1.13 -0.73 -4.19 117.38 108.23 1a8r n GLN 146 Ca 0.02 -2.08 -0.09 0.00 -1.94 0.00 0.00 57.00 52.91 1a8r n GLN 146 Cb 0.33 -2.94 -0.02 0.00 0.11 0.00 0.00 30.24 27.72 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 3.67 1.31 -0.09 -1.09 0.52 -1.06 -1.18 118.95 121.04 1a8r s ARG 147 Ca 0.53 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.86 1a8r s ARG 147 Cb 0.14 0.54 -0.04 0.00 0.52 0.00 0.00 34.95 36.11 1a8r s ARG 147 CO -0.01 -0.58 1.40 -2.14 0.02 0.00 0.00 175.30 173.99 1a8r s PRO 148 N -3.63 4.24 0.36 3.54 0.02 -1.26 -3.66 135.00 134.60 1a8r s PRO 148 Ca 0.05 1.88 0.05 0.00 0.02 0.00 0.00 61.00 63.00 1a8r s PRO 148 Cb -0.02 -3.77 -0.06 0.00 0.02 0.00 0.00 34.50 30.67 1a8r s PRO 148 CO -0.06 -0.69 0.05 -0.65 -0.33 0.00 0.00 177.00 175.31 1a8r s GLN 149 N 3.29 1.76 -0.15 5.54 -1.52 0.15 -4.66 119.66 124.08 1a8r s GLN 149 Ca 0.62 -2.00 -0.01 0.00 -1.95 0.00 0.00 55.36 52.03 1a8r s GLN 149 Cb -0.27 -1.08 0.04 0.00 -0.22 0.00 0.00 33.01 31.48 1a8r s GLN 149 CO 0.22 -0.17 -0.05 0.08 -0.25 0.00 0.00 175.29 175.12 1a8r s VAL 150 N -3.13 0.99 0.38 1.09 1.01 -1.26 -1.38 120.40 118.10 1a8r s VAL 150 Ca 0.35 -0.50 0.15 0.00 0.00 0.00 0.00 61.98 61.98 1a8r s VAL 150 Cb 0.09 -1.16 0.37 0.00 0.00 0.00 0.00 36.38 35.67 1a8r s VAL 150 CO 0.16 0.16 1.78 -0.61 0.00 0.00 0.00 175.10 176.58 1a8r h GLN 151 N 8.16 0.46 -0.67 2.72 4.15 -1.99 -0.25 115.11 127.70 1a8r h GLN 151 Ca -0.24 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.11 1a8r h GLN 151 Cb 1.12 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.67 1a8r h GLN 151 CO 0.39 0.31 0.27 0.93 -1.93 0.00 0.00 178.83 178.79 1a8r h GLU 152 N 0.48 1.00 -0.07 1.69 3.07 -2.00 -1.88 114.58 116.87 1a8r h GLU 152 Ca 0.58 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 59.24 1a8r h GLU 152 Cb 1.32 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1a8r h GLU 152 CO -0.31 0.83 -0.04 -0.09 -1.40 0.00 0.00 179.01 178.00 1a8r h ARG 153 N 0.95 0.15 -0.74 2.33 2.43 -1.53 -3.10 114.38 114.87 1a8r h ARG 153 Ca 0.22 -0.07 0.16 0.00 -0.81 0.00 0.00 59.98 59.49 1a8r h ARG 153 Cb 0.20 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.64 1a8r h ARG 153 CO -0.02 0.55 0.16 1.25 -1.51 0.00 0.00 179.97 180.40 1a8r h LEU 154 N -0.25 -0.03 -0.78 3.80 5.85 -1.02 0.15 115.31 123.03 1a8r h LEU 154 Ca 0.01 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1a8r h LEU 154 Cb 0.51 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1a8r h LEU 154 CO 0.01 -0.06 0.39 0.74 -0.34 0.00 0.00 178.44 179.18 1a8r h THR 155 N 0.24 1.25 0.36 1.05 2.02 -1.35 -2.44 112.91 114.03 1a8r h THR 155 Ca 0.42 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1a8r h THR 155 Cb 0.72 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1a8r h THR 155 CO -0.53 0.29 -0.17 1.56 0.37 0.00 0.00 175.52 177.04 1a8r h GLN 156 N 1.10 -0.46 -0.39 6.66 1.08 -0.94 -2.54 115.11 119.61 1a8r h GLN 156 Ca 0.27 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.58 1a8r h GLN 156 Cb 0.10 0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.55 1a8r h GLN 156 CO -0.04 -0.29 -0.13 1.96 -0.95 0.00 0.00 178.83 179.38 1a8r h GLN 157 N -0.51 -0.04 -0.95 1.46 4.20 -1.11 -1.01 115.11 117.15 1a8r h GLN 157 Ca -0.05 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1a8r h GLN 157 Cb 0.38 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 1a8r h GLN 157 CO 0.08 -0.03 0.62 0.82 -0.67 0.00 0.00 178.83 179.65 1a8r h ILE 158 N -0.04 1.25 0.32 2.54 2.04 -1.40 -0.77 117.51 121.45 1a8r h ILE 158 Ca 0.19 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1a8r h ILE 158 Cb 0.34 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1a8r h ILE 158 CO -0.43 0.24 -0.15 0.25 0.00 0.00 0.00 178.15 178.06 1a8r h LEU 159 N 1.29 -0.36 -0.05 1.44 5.85 -0.85 -1.40 115.31 121.22 1a8r h LEU 159 Ca 0.35 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1a8r h LEU 159 Cb -0.14 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1a8r h LEU 159 CO -0.07 -0.15 -0.05 0.40 -0.34 0.00 0.00 178.44 178.23 1a8r h ILE 160 N -0.56 0.86 -0.39 4.05 1.08 -1.10 -0.36 117.51 121.08 1a8r h ILE 160 Ca -0.04 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.50 1a8r h ILE 160 Cb 0.41 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 34.96 1a8r h ILE 160 CO 0.07 0.00 -0.03 0.00 -0.69 0.00 0.00 178.15 177.50 1a8r h ALA 161 N 0.99 0.33 -0.40 1.87 0.00 -1.13 0.35 119.26 121.28 1a8r h ALA 161 Ca 0.04 0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1a8r h ALA 161 Cb 0.11 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1a8r h ALA 161 CO -0.09 -0.42 -0.17 -0.07 0.00 0.00 0.00 179.25 178.50 1a8r h LEU 162 N 0.07 0.75 -0.17 0.00 3.38 -1.00 -1.22 115.31 117.12 1a8r h LEU 162 Ca 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1a8r h LEU 162 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1a8r h LEU 162 CO -0.35 0.93 0.06 1.56 0.09 0.00 0.00 178.44 180.73 1a8r h GLN 163 N 0.67 0.25 0.20 1.13 4.20 -0.28 0.58 115.11 121.86 1a8r h GLN 163 Ca 0.10 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1a8r h GLN 163 Cb 0.66 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1a8r h GLN 163 CO 0.05 0.34 -0.33 1.15 -0.67 0.00 0.00 178.83 179.37 1a8r h THR 164 N 0.11 0.31 -0.20 -0.54 2.02 -0.81 0.40 112.91 114.20 1a8r h THR 164 Ca 0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1a8r h THR 164 Cb 0.19 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1a8r h THR 164 CO -0.00 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.79 1a8r h LEU 165 N -0.60 0.27 0.00 2.58 3.38 -1.12 -2.75 115.31 117.06 1a8r h LEU 165 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1a8r h LEU 165 Cb 0.60 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1a8r h LEU 165 CO -0.14 0.34 -0.79 0.18 0.09 0.00 0.00 178.44 178.12 1a8r n LEU 166 N -4.35 0.65 -3.03 1.67 4.77 0.19 -4.97 117.00 111.93 1a8r n LEU 166 Ca -0.00 -0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.68 1a8r n LEU 166 Cb 0.20 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1a8r n LEU 166 CO 0.37 0.11 0.20 0.61 -1.33 0.00 0.00 177.39 177.36 1a8r n GLY 167 N 1.45 -0.28 3.36 -0.72 0.00 0.14 -4.70 105.19 104.43 1a8r n GLY 167 Ca 0.04 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.26 0.02 -0.65 2.61 2.01 -1.08 -4.90 115.64 110.40 1a8r s THR 168 Ca 0.48 -0.20 0.24 0.00 0.31 0.00 0.00 61.69 62.52 1a8r s THR 168 Cb -0.21 -0.73 0.03 0.00 0.01 0.00 0.00 72.50 71.59 1a8r s THR 168 CO 0.59 -0.11 1.28 0.59 -0.69 0.00 0.00 174.62 176.29 1a8r n ASN 169 N 1.70 0.68 -4.10 3.53 3.02 -1.26 -4.32 115.26 114.50 1a8r n ASN 169 Ca -0.18 0.07 -0.38 0.00 -0.03 0.00 0.00 54.58 54.05 1a8r n ASN 169 Cb 0.56 0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.94 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 -2.07 3.35 -3.96 6.41 3.02 -1.26 -1.70 115.26 119.04 1a8r n ASN 170 Ca 0.03 -2.76 -0.11 0.00 -0.03 0.00 0.00 54.58 51.72 1a8r n ASN 170 Cb 0.44 -1.51 -0.12 0.00 -0.61 0.00 0.00 39.78 37.98 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 6.40 0.16 -0.02 2.41 1.01 -1.24 -1.92 120.40 127.20 1a8r s VAL 171 Ca 0.58 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1a8r s VAL 171 Cb 0.08 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.23 1a8r s VAL 171 CO 0.08 -0.34 0.01 0.00 0.00 0.00 0.00 175.10 174.85 1a8r s ALA 172 N -1.05 0.16 -0.07 5.51 0.00 0.02 -0.68 121.76 125.66 1a8r s ALA 172 Ca -0.11 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1a8r s ALA 172 Cb -0.07 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1a8r s ALA 172 CO -0.01 -0.06 -0.16 0.08 0.00 0.00 0.00 175.76 175.61 1a8r s VAL 173 N 0.73 1.44 -0.06 0.00 1.01 0.17 -1.52 120.40 122.17 1a8r s VAL 173 Ca -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1a8r s VAL 173 Cb -0.10 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.04 1a8r s VAL 173 CO -0.02 0.42 -0.04 -0.55 0.00 0.00 0.00 175.10 174.91 1a8r s SER 174 N 0.41 1.32 -0.09 3.32 0.15 -0.03 -0.27 113.70 118.51 1a8r s SER 174 Ca -0.13 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.41 1a8r s SER 174 Cb -0.15 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1a8r s SER 174 CO 0.05 -0.09 -0.22 -0.63 1.20 0.00 0.00 173.24 173.54 1a8r s ILE 175 N 1.26 1.92 -0.15 6.45 1.01 -0.26 -0.21 121.20 131.22 1a8r s ILE 175 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1a8r s ILE 175 Cb -0.14 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 1a8r s ILE 175 CO -0.02 0.53 -0.14 -0.62 0.00 0.00 0.00 174.94 174.68 1a8r s ASP 176 N 0.37 3.76 0.01 3.58 2.15 -0.43 -1.45 116.67 124.66 1a8r s ASP 176 Ca -0.18 -0.43 -0.14 0.00 0.43 0.00 0.00 52.55 52.23 1a8r s ASP 176 Cb -0.18 -1.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.89 1a8r s ASP 176 CO 0.08 0.10 0.30 0.00 -0.17 0.00 0.00 175.17 175.48 1a8r s ALA 177 N 0.71 -0.72 -0.20 3.66 0.00 -0.17 -0.64 121.76 124.41 1a8r s ALA 177 Ca -0.07 0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 1a8r s ALA 177 Cb -0.16 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1a8r s ALA 177 CO 0.02 -0.33 0.09 0.08 0.00 0.00 0.00 175.76 175.62 1a8r s VAL 178 N -1.92 4.96 -0.31 0.00 1.01 0.33 -0.88 120.40 123.59 1a8r s VAL 178 Ca -0.09 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 1a8r s VAL 178 Cb -0.03 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1a8r s VAL 178 CO 0.01 0.43 0.15 -1.00 0.00 0.00 0.00 175.10 174.68 1a8r s HIS 179 N 0.58 3.18 -0.40 5.22 3.76 -1.26 -1.22 115.29 125.15 1a8r s HIS 179 Ca 0.05 -0.53 0.23 0.00 -0.15 0.00 0.00 55.06 54.66 1a8r s HIS 179 Cb -0.13 -2.35 1.04 0.00 1.11 0.00 0.00 32.58 32.25 1a8r s HIS 179 CO 0.01 -0.44 1.70 0.66 -0.85 0.00 0.00 174.74 175.82 1a8r n TYR 180 N 4.98 0.80 0.78 1.40 4.02 -0.51 -1.06 117.16 127.58 1a8r n TYR 180 Ca -0.14 0.34 0.12 0.00 -0.01 0.00 0.00 57.90 58.21 1a8r n TYR 180 Cb 0.49 -1.05 0.51 0.00 -0.02 0.00 0.00 39.34 39.27 1a8r n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a8r n VAL 182 N -1.69 1.21 -0.02 0.00 0.31 -0.27 -4.37 118.33 113.51 1a8r n VAL 182 Ca 0.06 -0.39 -0.16 0.00 -0.01 0.00 0.00 64.34 63.84 1a8r n VAL 182 Cb 0.31 -1.51 -0.09 0.00 -0.91 0.00 0.00 33.84 31.64 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 -0.38 0.44 -0.49 5.55 3.64 -1.08 -1.24 116.57 123.01 1a8r h LYS 183 Ca -0.52 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.48 1a8r h LYS 183 Cb 1.62 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1a8r h LYS 183 CO -0.20 1.03 0.00 0.00 -2.27 0.00 0.00 179.45 178.01 1a8r n ALA 184 N -2.55 2.94 -3.78 5.00 0.00 -0.35 -3.86 120.51 117.91 1a8r n ALA 184 Ca -0.09 -1.71 -0.04 0.00 0.00 0.00 0.00 53.44 51.60 1a8r n ALA 184 Cb 0.60 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.99 1.30 6.76 0.00 3.52 -1.24 -4.96 118.95 122.34 1a8r s ARG 185 Ca 0.44 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 1a8r s ARG 185 Cb 0.30 0.44 0.00 0.00 -1.56 0.00 0.00 34.95 34.13 1a8r s ARG 185 CO 0.18 -0.59 0.00 0.41 -0.81 0.00 0.00 175.30 174.49 1a8r n GLY 186 N -0.48 3.33 0.30 8.12 0.00 -1.26 -0.77 105.19 114.43 1a8r n GLY 186 Ca -0.06 0.25 0.18 0.00 0.00 0.00 0.00 46.02 46.40 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 0.14 -6.35 -0.61 6.09 -1.84 -3.46 117.51 111.47 1a8r h ILE 187 Ca 0.00 -0.34 -0.47 0.00 -1.37 0.00 0.00 64.86 62.68 1a8r h ILE 187 Cb 0.00 1.29 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 1a8r h ILE 187 CO 0.00 0.03 -0.88 0.54 -3.07 0.00 0.00 178.15 174.77 1a8r n ARG 188 N -3.22 -3.47 -2.87 2.19 1.74 0.05 -4.91 116.66 106.18 1a8r n ARG 188 Ca -0.01 0.47 -0.43 0.00 -0.77 0.00 0.00 57.85 57.11 1a8r n ARG 188 Cb 0.20 -4.65 -0.04 0.00 -1.02 0.00 0.00 32.46 26.95 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 -4.26 6.29 0.00 0.55 -1.08 -0.66 -4.89 116.67 112.61 1a8r s ASP 189 Ca 0.06 -0.53 0.18 0.00 -0.52 0.00 0.00 52.55 51.74 1a8r s ASP 189 Cb -0.02 -2.42 0.81 0.00 -1.46 0.00 0.00 42.92 39.83 1a8r s ASP 189 CO 0.86 -1.25 1.58 0.00 0.52 0.00 0.00 175.17 176.88 1a8r n ALA 190 N 7.42 1.87 -0.02 3.66 0.00 -1.26 -4.03 120.51 128.14 1a8r n ALA 190 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 1a8r n ALA 190 Cb 0.47 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 1a8r n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a8r n THR 191 N -1.45 0.31 -1.05 0.00 -2.24 -1.26 -5.07 114.28 103.51 1a8r n THR 191 Ca 0.05 -0.24 -0.31 0.00 -2.27 0.00 0.00 64.05 61.28 1a8r n THR 191 Cb 0.20 -0.45 0.13 0.00 -2.10 0.00 0.00 70.33 68.11 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 -3.49 3.76 -0.04 3.42 1.04 -1.26 -5.07 113.70 112.05 1a8r s SER 192 Ca -0.03 1.88 -0.15 0.00 0.48 0.00 0.00 55.95 58.13 1a8r s SER 192 Cb 0.03 -2.48 0.03 0.00 0.10 0.00 0.00 66.02 63.69 1a8r s SER 192 CO 0.28 -2.52 0.34 0.00 0.98 0.00 0.00 173.24 172.32 1a8r s ALA 193 N -2.81 -0.87 -0.12 5.32 0.00 -1.26 -4.78 121.76 117.24 1a8r s ALA 193 Ca 0.63 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 1a8r s ALA 193 Cb -0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1a8r s ALA 193 CO 0.57 -0.25 -0.07 0.99 0.00 0.00 0.00 175.76 177.01 1a8r s THR 194 N -0.97 3.65 -0.11 0.00 2.01 -0.06 -4.91 115.64 115.25 1a8r s THR 194 Ca -0.10 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1a8r s THR 194 Cb -0.04 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 1a8r s THR 194 CO 0.04 0.54 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.44 1a8r s THR 195 N -0.05 2.68 0.05 -0.82 2.01 -1.26 -1.00 115.64 117.26 1a8r s THR 195 Ca 0.00 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.24 1a8r s THR 195 Cb -0.13 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1a8r s THR 195 CO 0.03 0.54 -0.13 0.42 -0.69 0.00 0.00 174.62 174.80 1a8r s THR 196 N 0.19 0.98 0.02 -0.82 -4.23 -0.53 -4.99 115.64 106.26 1a8r s THR 196 Ca -0.10 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1a8r s THR 196 Cb -0.16 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 1a8r s THR 196 CO 0.06 -0.14 0.02 0.42 -0.54 0.00 0.00 174.62 174.44 1a8r s THR 197 N -1.06 0.11 -0.17 3.99 -4.23 -1.26 -1.10 115.64 111.93 1a8r s THR 197 Ca -0.02 -0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1a8r s THR 197 Cb -0.09 -0.44 0.05 0.00 1.34 0.00 0.00 72.50 73.37 1a8r s THR 197 CO 0.01 -0.51 0.03 -0.44 -0.54 0.00 0.00 174.62 173.17 1a8r s SER 198 N -1.60 2.59 -0.15 3.99 0.01 0.62 -4.97 113.70 114.20 1a8r s SER 198 Ca -0.13 -0.65 -0.05 0.00 1.31 0.00 0.00 55.95 56.43 1a8r s SER 198 Cb -0.08 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.58 1a8r s SER 198 CO -0.01 -0.28 0.01 -0.76 0.41 0.00 0.00 173.24 172.61 1a8r s LEU 199 N 1.90 3.57 0.19 2.44 1.43 -1.26 -0.66 118.68 126.30 1a8r s LEU 199 Ca 0.01 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1a8r s LEU 199 Cb -0.16 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1a8r s LEU 199 CO -0.07 0.23 -0.10 -0.83 0.23 0.00 0.00 176.35 175.80 1a8r s GLY 200 N 0.01 1.33 0.00 -3.19 0.00 0.15 -4.51 107.32 101.10 1a8r s GLY 200 Ca 0.03 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.13 1a8r s GLY 200 CO 0.02 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.04 1a8r n GLY 201 N -0.33 2.99 0.32 0.20 0.00 -0.69 -1.09 105.19 106.60 1a8r n GLY 201 Ca -0.08 -0.15 0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.55 0.99 3.38 -1.94 -0.58 115.31 115.62 1a8r h LEU 202 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1a8r h LEU 202 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1a8r h LEU 202 CO 0.00 0.00 -0.05 -0.26 0.09 0.00 0.00 178.44 178.22 1a8r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.37 0.22 116.94 116.96 1a8r h PHE 203 Ca 0.06 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.40 1a8r h PHE 203 Cb 0.33 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.42 1a8r h PHE 203 CO 0.00 0.05 -2.35 1.17 -0.60 0.00 0.00 178.31 176.58 1a8r n LYS 204 N -3.19 0.59 0.11 1.51 3.00 -0.37 -4.17 118.16 115.64 1a8r n LYS 204 Ca 0.00 0.31 -0.12 0.00 -0.00 0.00 0.00 58.31 58.50 1a8r n LYS 204 Cb 0.30 -1.53 -0.08 0.00 0.00 0.00 0.00 35.03 33.73 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 -0.98 -0.28 -3.51 3.14 0.02 -1.14 -3.44 113.55 107.37 1a8r h SER 205 Ca -0.65 -0.25 -0.61 0.00 -0.84 0.00 0.00 61.79 59.44 1a8r h SER 205 Cb 1.58 0.07 -0.11 0.00 0.14 0.00 0.00 62.40 64.08 1a8r h SER 205 CO -0.39 0.18 0.43 -0.55 -1.14 0.00 0.00 176.83 175.36 1a8r s SER 206 N -5.26 6.59 0.42 3.07 0.15 0.77 -4.93 113.70 114.51 1a8r s SER 206 Ca -0.13 0.42 0.12 0.00 0.70 0.00 0.00 55.95 57.06 1a8r s SER 206 Cb 0.01 -2.41 0.90 0.00 -1.71 0.00 0.00 66.02 62.81 1a8r s SER 206 CO 0.50 -0.76 1.97 -0.61 1.20 0.00 0.00 173.24 175.55 1a8r h GLN 207 N 8.46 0.16 -0.00 5.44 4.15 -1.85 0.19 115.11 131.66 1a8r h GLN 207 Ca -0.24 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 1a8r h GLN 207 Cb 1.09 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.76 1a8r h GLN 207 CO 0.93 0.28 0.00 -0.97 -1.93 0.00 0.00 178.83 177.13 1a8r h ASN 208 N 0.15 0.00 0.24 -0.69 -1.24 -1.91 -1.02 115.58 111.11 1a8r h ASN 208 Ca 0.03 -0.15 -0.01 0.00 0.71 0.00 0.00 56.30 56.88 1a8r h ASN 208 Cb 0.29 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.35 1a8r h ASN 208 CO 0.02 0.15 -0.12 0.74 -1.29 0.00 0.00 177.43 176.93 1a8r h THR 209 N -0.15 0.82 -0.57 -3.57 2.02 -1.68 -2.60 112.91 107.18 1a8r h THR 209 Ca 0.00 -0.47 0.10 0.00 0.77 0.00 0.00 66.41 66.81 1a8r h THR 209 Cb 0.15 1.09 -0.11 0.00 -1.74 0.00 0.00 68.15 67.54 1a8r h THR 209 CO -0.00 0.10 -0.31 -0.09 0.37 0.00 0.00 175.52 175.59 1a8r h ARG 210 N -0.57 -0.15 0.00 6.66 2.43 -0.60 -0.67 114.38 121.48 1a8r h ARG 210 Ca -0.03 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1a8r h ARG 210 Cb 0.42 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1a8r h ARG 210 CO 0.05 -0.10 -0.20 0.45 -1.51 0.00 0.00 179.97 178.66 1a8r h HIS 211 N -0.16 0.00 -0.27 2.20 3.86 -1.20 -1.03 115.15 118.56 1a8r h HIS 211 Ca 0.23 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1a8r h HIS 211 Cb 0.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1a8r h HIS 211 CO -0.61 0.20 0.02 0.93 0.86 0.00 0.00 177.93 179.33 1a8r h GLU 212 N 0.00 0.46 0.49 2.45 5.08 -0.75 0.60 114.58 122.92 1a8r h GLU 212 Ca -0.00 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1a8r h GLU 212 Cb 0.74 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1a8r h GLU 212 CO 0.03 0.60 -0.24 0.35 -1.00 0.00 0.00 179.01 178.75 1a8r h PHE 213 N 0.26 -0.62 -1.01 4.33 3.57 -1.07 -2.45 116.94 119.95 1a8r h PHE 213 Ca 0.08 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.68 1a8r h PHE 213 Cb 0.38 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.24 1a8r h PHE 213 CO 0.03 -0.32 0.64 -0.07 -2.23 0.00 0.00 178.31 176.36 1a8r h LEU 214 N -0.81 0.94 -0.61 0.59 3.38 -1.11 -1.28 115.31 116.41 1a8r h LEU 214 Ca -0.07 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1a8r h LEU 214 Cb 0.57 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1a8r h LEU 214 CO 0.11 0.50 0.25 -0.09 0.09 0.00 0.00 178.44 179.30 1a8r h ARG 215 N 1.00 0.90 -0.69 1.13 2.43 -0.84 -2.95 114.38 115.37 1a8r h ARG 215 Ca 0.50 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1a8r h ARG 215 Cb 0.48 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1a8r h ARG 215 CO -0.26 0.76 0.41 0.00 -1.51 0.00 0.00 179.97 179.37 1a8r h ALA 216 N 1.09 1.42 -2.21 2.80 0.00 -0.75 -3.45 119.26 118.17 1a8r h ALA 216 Ca 0.20 -0.08 -0.60 0.00 0.00 0.00 0.00 54.91 54.43 1a8r h ALA 216 Cb 0.19 -0.28 0.09 0.00 0.00 0.00 0.00 17.79 17.79 1a8r h ALA 216 CO -0.02 0.50 0.51 0.28 0.00 0.00 0.00 179.25 180.53 1a8r n VAL 217 N -4.39 1.06 -2.46 0.00 0.31 -0.90 -4.27 118.33 107.68 1a8r n VAL 217 Ca 0.07 -0.27 -0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1a8r n VAL 217 Cb 0.07 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 1.81 -2.71 -3.87 5.55 3.00 -1.26 -5.04 116.66 114.15 1a8r n ARG 218 Ca 0.12 2.28 -0.30 0.00 -0.00 0.00 0.00 57.85 59.94 1a8r n ARG 218 Cb 0.30 -4.49 -0.15 0.00 0.00 0.00 0.00 32.46 28.13 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 -1.36 2.36 -0.35 -0.14 3.76 -1.26 -5.08 115.29 113.22 1a8r s HIS 219 Ca 0.01 -1.97 -0.35 0.00 -0.15 0.00 0.00 55.06 52.60 1a8r s HIS 219 Cb -0.00 -1.90 -0.11 0.00 1.11 0.00 0.00 32.58 31.67 1a8r s HIS 219 CO 0.62 -0.84 2.19 0.72 -0.85 0.00 0.00 174.74 176.58 1a8r n HIS 220 N 4.67 1.60 -0.19 1.40 8.25 -1.26 -5.03 115.22 124.65 1a8r n HIS 220 Ca -0.04 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1a8r n HIS 220 Cb 0.43 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 29.01 1a8r n HIS 220 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07