#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 -0.38 -0.36 0.00 -1.33 0.00 0.00 58.87 56.81 1a8r n SER 2 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 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 3.61 0.84 2.46 1.43 -1.26 -5.00 118.68 120.76 1a8r s LEU 3 Ca 0.00 2.42 -0.12 0.00 -1.03 0.00 0.00 54.13 55.40 1a8r s LEU 3 Cb 0.00 -4.60 0.10 0.00 0.03 0.00 0.00 46.19 41.72 1a8r s LEU 3 CO 0.00 -1.73 1.12 -0.94 0.23 0.00 0.00 176.35 175.03 1a8r s SER 4 N -1.62 4.10 0.15 2.29 1.04 -1.26 -4.83 113.70 113.58 1a8r s SER 4 Ca 0.78 1.13 -0.17 0.00 0.48 0.00 0.00 55.95 58.18 1a8r s SER 4 Cb -0.31 -1.79 0.04 0.00 0.10 0.00 0.00 66.02 64.05 1a8r s SER 4 CO 0.35 -2.20 1.77 0.11 0.98 0.00 0.00 173.24 174.25 1a8r h LYS 5 N -1.25 0.31 -0.32 4.02 1.57 -1.99 -0.98 116.57 117.92 1a8r h LYS 5 Ca -0.48 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1a8r h LYS 5 Cb 1.30 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1a8r h LYS 5 CO 0.61 0.21 0.20 0.93 -0.57 0.00 0.00 179.45 180.82 1a8r h GLU 6 N 0.32 0.39 -0.41 3.15 3.07 -1.97 -0.64 114.58 118.50 1a8r h GLU 6 Ca 0.15 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.05 1a8r h GLU 6 Cb 0.09 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 27.85 1a8r h GLU 6 CO -0.12 0.26 0.09 0.00 -1.40 0.00 0.00 179.01 177.84 1a8r h ALA 7 N 1.14 0.45 0.33 3.43 0.00 -1.79 -0.64 119.26 122.18 1a8r h ALA 7 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1a8r h ALA 7 Cb -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1a8r h ALA 7 CO -0.05 -0.31 -0.21 0.00 0.00 0.00 0.00 179.25 178.68 1a8r h ALA 8 N 1.31 -0.52 0.16 0.00 0.00 -0.60 -0.79 119.26 118.82 1a8r h ALA 8 Ca 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1a8r h ALA 8 Cb 0.23 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1a8r h ALA 8 CO -0.25 -0.81 -0.23 -0.07 0.00 0.00 0.00 179.25 177.90 1a8r h LEU 9 N -0.53 -0.62 -0.26 0.00 3.38 -0.86 -0.46 115.31 115.96 1a8r h LEU 9 Ca -0.03 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1a8r h LEU 9 Cb 0.44 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 1a8r h LEU 9 CO 0.02 -0.32 -0.15 0.58 0.09 0.00 0.00 178.44 178.66 1a8r h VAL 10 N -0.45 0.56 -0.82 1.22 2.07 -1.08 0.20 116.25 117.96 1a8r h VAL 10 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1a8r h VAL 10 Cb 0.45 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1a8r h VAL 10 CO -0.09 0.00 0.50 -0.74 0.02 0.00 0.00 177.57 177.26 1a8r h HIS 11 N -0.12 0.93 0.49 1.57 -0.00 -0.93 -0.53 115.15 116.56 1a8r h HIS 11 Ca 0.14 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 1a8r h HIS 11 Cb 0.34 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1a8r h HIS 11 CO -0.33 0.48 -0.23 0.93 -0.00 0.00 0.00 177.93 178.78 1a8r h GLU 12 N 0.93 -0.63 -0.62 5.26 5.08 0.16 -1.34 114.58 123.42 1a8r h GLU 12 Ca 0.35 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.88 1a8r h GLU 12 Cb 0.15 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.44 1a8r h GLU 12 CO -0.16 -0.38 0.07 0.00 -1.00 0.00 0.00 179.01 177.54 1a8r h ALA 13 N -0.23 0.68 -0.41 3.43 0.00 -0.22 0.11 119.26 122.61 1a8r h ALA 13 Ca -0.07 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1a8r h ALA 13 Cb 0.53 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1a8r h ALA 13 CO 0.11 -0.35 0.15 -0.07 0.00 0.00 0.00 179.25 179.08 1a8r h LEU 14 N 0.19 0.58 -0.87 0.00 3.38 -0.99 -1.60 115.31 116.00 1a8r h LEU 14 Ca 0.33 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1a8r h LEU 14 Cb 0.52 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1a8r h LEU 14 CO -0.47 0.61 0.39 0.58 0.09 0.00 0.00 178.44 179.64 1a8r h VAL 15 N 0.52 1.26 -0.23 1.22 2.07 -0.30 0.18 116.25 120.98 1a8r h VAL 15 Ca 0.14 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1a8r h VAL 15 Cb 0.23 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1a8r h VAL 15 CO -0.01 0.32 0.04 0.00 0.02 0.00 0.00 177.57 177.94 1a8r h ALA 16 N 1.23 0.23 -0.00 1.67 0.00 -0.52 -1.21 119.26 120.66 1a8r h ALA 16 Ca 0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1a8r h ALA 16 Cb 0.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a8r h ALA 16 CO -0.03 -0.39 0.00 0.54 0.00 0.00 0.00 179.25 179.37 1a8r n ARG 17 N -5.09 1.01 -2.00 0.00 3.00 -0.63 -4.88 116.66 108.06 1a8r n ARG 17 Ca -0.02 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.85 57.66 1a8r n ARG 17 Cb 0.10 -1.48 -0.03 0.00 0.00 0.00 0.00 32.46 31.06 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 0.98 0.34 0.47 -0.13 0.00 -0.39 -4.91 105.19 101.55 1a8r n GLY 18 Ca 0.23 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.98 1.70 -4.76 0.99 4.77 0.50 -4.97 117.00 113.24 1a8r n LEU 19 Ca -0.17 -0.56 -0.39 0.00 -0.03 0.00 0.00 56.01 54.86 1a8r n LEU 19 Cb 0.59 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1a8r n LEU 19 CO 0.21 0.30 0.97 -1.61 -1.33 0.00 0.00 177.39 175.94 1a8r s GLU 20 N -2.33 3.59 0.30 3.23 0.41 -1.22 -4.82 118.70 117.85 1a8r s GLU 20 Ca 0.26 2.18 -0.29 0.00 -0.41 0.00 0.00 54.97 56.70 1a8r s GLU 20 Cb 0.19 -2.51 -0.10 0.00 -1.78 0.00 0.00 34.13 29.94 1a8r s GLU 20 CO 0.47 -0.81 1.32 0.99 -0.49 0.00 0.00 175.26 176.74 1a8r s THR 21 N -1.31 2.79 -0.81 3.63 2.01 -1.26 -4.80 115.64 115.89 1a8r s THR 21 Ca 0.64 0.75 -0.19 0.00 0.31 0.00 0.00 61.69 63.20 1a8r s THR 21 Cb -0.39 -3.48 -0.20 0.00 0.01 0.00 0.00 72.50 68.45 1a8r s THR 21 CO 0.48 0.16 2.13 -2.65 -0.69 0.00 0.00 174.62 174.05 1a8r n PRO 22 N 1.31 0.26 -4.87 4.92 -0.02 -1.26 -4.87 135.00 130.46 1a8r n PRO 22 Ca 0.02 -0.69 -0.25 0.00 -2.02 0.00 0.00 63.50 60.56 1a8r n PRO 22 Cb 0.42 -2.72 -0.15 0.00 -0.02 0.00 0.00 33.50 31.02 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 9.73 2.03 0.01 2.45 2.96 -1.26 -5.14 118.68 129.46 1a8r s LEU 23 Ca 0.91 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 54.38 1a8r s LEU 23 Cb -0.29 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 1a8r s LEU 23 CO 0.22 0.22 0.35 -0.13 -1.32 0.00 0.00 176.35 175.69 1a8r s ARG 24 N -0.42 3.75 0.65 1.98 0.52 -1.26 -5.07 118.95 119.09 1a8r s ARG 24 Ca 0.07 0.19 -0.18 0.00 -0.52 0.00 0.00 55.73 55.29 1a8r s ARG 24 Cb -0.07 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 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 0.94 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.35 1a8r n PRO 25 Ca -0.13 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 -1.62 0.37 -0.16 0.52 -0.02 -1.26 -4.77 135.00 128.07 1a8r n PRO 26 Ca 0.15 -0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.20 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 7.48 1.22 -2.88 -1.45 2.07 -2.04 -3.43 116.25 117.22 1a8r h VAL 27 Ca -0.02 -0.72 -0.15 0.00 0.82 0.00 0.00 66.70 66.64 1a8r h VAL 27 Cb 1.10 0.53 -0.26 0.00 -1.52 0.00 0.00 31.29 31.14 1a8r h VAL 27 CO 1.27 0.28 -0.35 -1.00 0.02 0.00 0.00 177.57 177.79 1a8r s HIS 28 N -5.36 -0.41 -1.47 1.57 3.76 -1.26 -5.05 115.29 107.06 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 3.59 -3.31 1.40 1.02 -1.26 -4.93 120.64 120.55 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 -2.94 -0.06 0.00 -0.02 0.00 0.00 31.44 28.99 1a8r n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1a8r s MET 30 N 1.64 4.26 0.32 3.49 1.75 -1.26 -5.03 119.30 124.46 1a8r s MET 30 Ca 0.56 0.54 -0.29 0.00 -1.25 0.00 0.00 55.69 55.24 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 0.33 1.58 -3.47 -0.65 0.00 0.00 175.02 172.74 1a8r n ASP 31 N 3.02 3.90 -0.43 1.11 -0.08 -1.26 -4.88 116.55 117.93 1a8r n ASP 31 Ca -0.08 1.17 0.36 0.00 -1.51 0.00 0.00 54.79 54.72 1a8r n ASP 31 Cb 0.52 -1.61 0.67 0.00 2.34 0.00 0.00 41.12 43.03 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 4.38 0.20 -0.44 1.67 4.21 -2.00 -0.97 115.58 122.63 1a8r h ASN 32 Ca -0.48 0.08 0.01 0.00 1.21 0.00 0.00 56.30 57.12 1a8r h ASN 32 Cb 1.23 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 38.46 1a8r h ASN 32 CO 0.76 -0.06 0.29 -0.33 -1.29 0.00 0.00 177.43 176.80 1a8r h GLU 33 N 0.12 0.54 -0.07 0.81 5.08 -1.98 0.89 114.58 119.97 1a8r h GLU 33 Ca 0.74 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.83 1a8r h GLU 33 Cb 2.46 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 31.60 1a8r h GLU 33 CO -0.25 0.36 -0.86 1.15 -1.00 0.00 0.00 179.01 178.41 1a8r h THR 34 N 0.56 1.29 -0.17 1.13 2.02 -1.53 -1.03 112.91 115.18 1a8r h THR 34 Ca 0.17 -2.09 -0.01 0.00 0.77 0.00 0.00 66.41 65.25 1a8r h THR 34 Cb -0.01 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1a8r h THR 34 CO -0.04 0.65 0.07 0.03 0.37 0.00 0.00 175.52 176.61 1a8r h ARG 35 N 0.40 0.25 -0.92 6.66 3.08 -1.47 -0.74 114.38 121.64 1a8r h ARG 35 Ca -0.09 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 59.98 1a8r h ARG 35 Cb 1.51 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.46 1a8r h ARG 35 CO 0.17 0.31 0.60 0.87 -1.07 0.00 0.00 179.97 180.85 1a8r h LYS 36 N 0.13 1.03 -0.46 0.04 1.57 -0.80 0.14 116.57 118.22 1a8r h LYS 36 Ca 0.06 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1a8r h LYS 36 Cb 0.15 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1a8r h LYS 36 CO -0.01 0.68 -0.27 0.66 -0.57 0.00 0.00 179.45 179.94 1a8r h SER 37 N 1.06 1.02 -0.31 0.86 4.64 -0.72 -0.66 113.55 119.44 1a8r h SER 37 Ca 0.39 -0.41 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1a8r h SER 37 Cb 0.18 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1a8r h SER 37 CO -0.15 1.22 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.91 1a8r h LEU 38 N 0.84 0.59 -0.31 5.97 3.38 -0.31 -1.41 115.31 124.05 1a8r h LEU 38 Ca 0.10 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1a8r h LEU 38 Cb 0.86 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1a8r h LEU 38 CO 0.08 0.80 0.12 0.40 0.09 0.00 0.00 178.44 179.92 1a8r h ILE 39 N 0.37 1.18 -0.67 1.22 2.04 -0.73 -1.40 117.51 119.52 1a8r h ILE 39 Ca 0.08 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.41 1a8r h ILE 39 Cb 0.53 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1a8r h ILE 39 CO 0.03 0.20 0.44 0.00 0.00 0.00 0.00 178.15 178.82 1a8r h ALA 40 N 0.96 1.67 -0.37 1.87 0.00 -1.06 0.16 119.26 122.48 1a8r h ALA 40 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1a8r h ALA 40 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1a8r h ALA 40 CO -0.01 0.25 0.10 0.78 0.00 0.00 0.00 179.25 180.37 1a8r h GLY 41 N 0.76 0.63 0.98 0.00 0.00 -0.59 0.01 103.07 104.86 1a8r h GLY 41 Ca 0.28 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1a8r h GLY 41 CO -0.08 0.36 0.27 0.45 0.00 0.00 0.00 176.54 177.54 1a8r h HIS 42 N 0.45 0.78 -0.71 5.60 -0.00 -0.28 -1.93 115.15 119.05 1a8r h HIS 42 Ca 0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.43 1a8r h HIS 42 Cb 0.29 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 1a8r h HIS 42 CO 0.01 0.60 0.37 0.52 -0.00 0.00 0.00 177.93 179.44 1a8r h MET 43 N 0.73 0.99 -0.15 2.45 2.86 -0.70 -0.92 114.93 120.18 1a8r h MET 43 Ca 0.19 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1a8r h MET 43 Cb 0.11 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1a8r h MET 43 CO -0.02 0.74 0.10 1.15 1.06 0.00 0.00 176.91 179.93 1a8r h THR 44 N 0.99 1.04 -0.06 2.22 2.02 -0.60 -1.14 112.91 117.38 1a8r h THR 44 Ca 0.25 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.39 1a8r h THR 44 Cb 0.05 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 1a8r h THR 44 CO -0.04 0.04 -0.15 -0.33 0.37 0.00 0.00 175.52 175.41 1a8r h GLU 45 N 0.21 -0.22 -0.09 6.66 4.39 -0.90 -0.99 114.58 123.64 1a8r h GLU 45 Ca 0.06 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.81 1a8r h GLU 45 Cb -0.02 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 1a8r h GLU 45 CO -0.01 -0.15 -0.23 0.82 -1.16 0.00 0.00 179.01 178.29 1a8r h ILE 46 N -0.23 0.46 -0.36 3.13 2.04 -0.92 0.11 117.51 121.74 1a8r h ILE 46 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 1a8r h ILE 46 Cb 0.32 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1a8r h ILE 46 CO -0.19 0.00 0.24 0.24 0.00 0.00 0.00 178.15 178.44 1a8r h MET 47 N -0.31 0.25 -0.22 2.37 2.86 -1.02 0.88 114.93 119.74 1a8r h MET 47 Ca 0.09 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.52 1a8r h MET 47 Cb 0.43 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1a8r h MET 47 CO -0.27 0.16 -0.63 1.96 1.06 0.00 0.00 176.91 179.19 1a8r h GLN 48 N 0.26 0.78 0.00 1.72 4.20 0.19 -0.02 115.11 122.24 1a8r h GLN 48 Ca 0.16 -0.54 -0.03 0.00 0.06 0.00 0.00 58.65 58.29 1a8r h GLN 48 Cb 0.30 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1a8r h GLN 48 CO -0.03 1.17 -0.14 -0.07 -0.67 0.00 0.00 178.83 179.09 1a8r h LEU 49 N 0.58 0.00 -1.00 1.46 3.38 0.14 0.40 115.31 120.27 1a8r h LEU 49 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1a8r h LEU 49 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1a8r h LEU 49 CO 0.13 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.98 1a8r n LEU 50 N -3.98 1.48 -1.77 1.67 4.77 -0.18 -4.92 117.00 114.07 1a8r n LEU 50 Ca -0.02 -0.66 -0.19 0.00 -0.03 0.00 0.00 56.01 55.11 1a8r n LEU 50 Cb 0.23 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1a8r n LEU 50 CO 0.33 0.33 -0.21 0.59 -1.33 0.00 0.00 177.39 177.10 1a8r n ASN 51 N 0.23 -5.34 -4.75 -1.43 3.02 0.13 -4.98 115.26 102.14 1a8r n ASN 51 Ca 0.14 0.24 -0.40 0.00 -0.03 0.00 0.00 54.58 54.53 1a8r n ASN 51 Cb 0.28 -4.45 -0.05 0.00 -0.61 0.00 0.00 39.78 34.95 1a8r n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a8r s LEU 52 N -4.81 4.61 -0.96 3.41 1.43 -0.05 -4.96 118.68 117.35 1a8r s LEU 52 Ca 0.00 2.08 -0.22 0.00 -1.03 0.00 0.00 54.13 54.96 1a8r s LEU 52 Cb 0.00 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.68 1a8r s LEU 52 CO 0.00 0.03 1.30 -0.62 0.23 0.00 0.00 176.35 177.29 1a8r s ASP 53 N -1.03 6.52 0.00 2.29 2.15 -1.26 -4.59 116.67 120.74 1a8r s ASP 53 Ca 0.43 -1.61 0.05 0.00 0.43 0.00 0.00 52.55 51.85 1a8r s ASP 53 Cb -0.28 -2.50 0.31 0.00 -0.30 0.00 0.00 42.92 40.14 1a8r s ASP 53 CO 0.36 -1.35 0.84 0.18 -0.17 0.00 0.00 175.17 175.03 1a8r n LEU 54 N 7.98 0.00 0.16 -1.34 4.77 -1.26 -1.51 117.00 125.79 1a8r n LEU 54 Ca 0.27 0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.41 1a8r n LEU 54 Cb 0.50 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1a8r n LEU 54 CO 0.60 -0.06 0.42 0.00 -1.33 0.00 0.00 177.39 177.02 1a8r h ALA 55 N 2.31 0.76 -2.80 -1.18 0.00 -1.93 -3.26 119.26 113.17 1a8r h ALA 55 Ca 0.00 -0.14 -0.53 0.00 0.00 0.00 0.00 54.91 54.24 1a8r h ALA 55 Cb 0.01 0.01 0.06 0.00 0.00 0.00 0.00 17.79 17.87 1a8r h ALA 55 CO 0.00 0.18 0.70 0.34 0.00 0.00 0.00 179.25 180.47 1a8r s ASP 56 N -5.95 6.71 0.35 0.00 2.15 -0.57 -4.81 116.67 114.55 1a8r s ASP 56 Ca 0.03 2.67 0.08 0.00 0.43 0.00 0.00 52.55 55.76 1a8r s ASP 56 Cb 0.07 -2.63 0.79 0.00 -0.30 0.00 0.00 42.92 40.85 1a8r s ASP 56 CO 0.73 -0.63 1.87 -2.24 -0.17 0.00 0.00 175.17 174.73 1a8r h ASP 57 N 4.34 0.68 0.26 -0.34 2.03 -1.89 0.91 116.42 122.41 1a8r h ASP 57 Ca -0.47 0.04 -0.10 0.00 -0.73 0.00 0.00 57.03 55.77 1a8r h ASP 57 Cb 1.22 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.62 1a8r h ASP 57 CO 0.72 0.34 -0.39 -1.28 -1.03 0.00 0.00 179.24 177.60 1a8r h SER 58 N 0.72 0.19 0.35 4.15 0.87 -1.95 -3.28 113.55 114.58 1a8r h SER 58 Ca 0.45 -0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 60.70 1a8r h SER 58 Cb 0.70 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1a8r h SER 58 CO -0.21 0.57 -1.86 0.18 -0.53 0.00 0.00 176.83 174.97 1a8r n LEU 59 N -4.05 0.48 -0.31 2.23 4.77 -0.57 -4.58 117.00 114.97 1a8r n LEU 59 Ca -0.01 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.23 1a8r n LEU 59 Cb 0.46 0.22 0.14 0.00 -2.33 0.00 0.00 43.42 41.91 1a8r n LEU 59 CO 0.41 0.29 0.72 -0.03 -1.33 0.00 0.00 177.39 177.45 1a8r h MET 60 N 0.00 0.01 -0.03 3.23 4.05 -0.91 -1.38 114.93 119.90 1a8r h MET 60 Ca -0.29 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1a8r h MET 60 Cb 1.82 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.61 1a8r h MET 60 CO 0.04 0.01 0.00 0.39 0.23 0.00 0.00 176.91 177.58 1a8r n GLU 61 N -5.53 1.67 -0.05 0.39 -0.58 -1.26 -4.46 120.64 110.82 1a8r n GLU 61 Ca 0.14 -0.98 -0.08 0.00 -0.42 0.00 0.00 57.16 55.82 1a8r n GLU 61 Cb 0.48 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.86 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 2.36 0.85 -0.91 2.62 2.02 -1.50 -0.69 112.91 117.66 1a8r h THR 62 Ca 0.00 -0.03 0.14 0.00 0.77 0.00 0.00 66.41 67.30 1a8r h THR 62 Cb 0.50 0.77 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 1a8r h THR 62 CO 0.00 0.01 0.58 -0.65 0.37 0.00 0.00 175.52 175.84 1a8r h PRO 63 N 0.08 0.71 -0.12 6.66 0.11 -1.78 -0.01 132.00 137.65 1a8r h PRO 63 Ca 0.10 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 1a8r h PRO 63 Cb 0.13 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1a8r h PRO 63 CO -0.17 0.47 -0.11 1.25 -0.21 0.00 0.00 178.00 179.23 1a8r h HIS 64 N 0.74 0.35 -0.75 0.65 -0.00 -1.72 -1.76 115.15 112.65 1a8r h HIS 64 Ca 0.46 -0.10 0.05 0.00 -0.00 0.00 0.00 60.37 60.77 1a8r h HIS 64 Cb 0.69 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.98 1a8r h HIS 64 CO -0.00 0.69 0.46 0.00 -0.00 0.00 0.00 177.93 179.08 1a8r h ARG 65 N -0.09 0.84 -0.25 5.26 3.08 -0.00 -0.84 114.38 122.36 1a8r h ARG 65 Ca 0.02 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1a8r h ARG 65 Cb 0.63 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1a8r h ARG 65 CO 0.03 0.55 -0.10 0.82 -1.07 0.00 0.00 179.97 180.20 1a8r h ILE 66 N 0.86 1.29 -0.77 2.04 2.04 -1.03 -0.56 117.51 121.38 1a8r h ILE 66 Ca 0.32 -1.16 0.03 0.00 1.00 0.00 0.00 64.86 65.05 1a8r h ILE 66 Cb 0.10 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1a8r h ILE 66 CO -0.15 0.36 0.49 0.00 0.00 0.00 0.00 178.15 178.86 1a8r h ALA 67 N 0.74 1.01 -0.58 1.87 0.00 -1.04 -1.04 119.26 120.22 1a8r h ALA 67 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1a8r h ALA 67 Cb 0.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1a8r h ALA 67 CO 0.03 0.30 0.07 -0.22 0.00 0.00 0.00 179.25 179.43 1a8r h LYS 68 N 0.96 0.99 -0.25 0.00 3.64 -1.00 -2.31 116.57 118.59 1a8r h LYS 68 Ca 0.31 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1a8r h LYS 68 Cb 0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1a8r h LYS 68 CO -0.11 0.95 0.07 1.98 -2.27 0.00 0.00 179.45 180.07 1a8r h MET 69 N 0.88 0.38 0.33 1.90 4.05 -0.49 0.16 114.93 122.15 1a8r h MET 69 Ca 0.17 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1a8r h MET 69 Cb 0.46 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1a8r h MET 69 CO 0.02 0.46 -0.16 1.88 0.23 0.00 0.00 176.91 179.34 1a8r h TYR 70 N 0.23 -0.41 0.33 1.39 0.05 -1.20 0.41 116.97 117.77 1a8r h TYR 70 Ca 0.08 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1a8r h TYR 70 Cb 0.24 0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1a8r h TYR 70 CO 0.00 -0.14 -0.16 0.28 -1.05 0.00 0.00 178.16 177.09 1a8r h VAL 71 N -0.64 0.56 0.00 -2.88 2.07 -1.46 -3.27 116.25 110.64 1a8r h VAL 71 Ca -0.05 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1a8r h VAL 71 Cb 0.46 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1a8r h VAL 71 CO 0.07 0.11 -0.95 0.47 0.02 0.00 0.00 177.57 177.30 1a8r n ASP 72 N -5.12 0.65 0.00 0.57 8.00 0.56 -4.46 116.55 116.75 1a8r n ASP 72 Ca -0.09 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1a8r n ASP 72 Cb 0.27 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.97 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 -2.14 0.00 0.19 -1.24 1.02 -0.29 -4.63 120.64 113.55 1a8r n GLU 73 Ca 0.02 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 1a8r n GLU 73 Cb 0.46 0.00 0.65 0.00 -0.02 0.00 0.00 31.44 32.53 1a8r n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1a8r h ILE 74 N 0.00 0.00 -0.05 -3.67 3.07 -1.22 -1.64 117.51 114.00 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 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 37.08 1a8r h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1a8r n PHE 75 N -2.36 0.12 0.13 0.16 3.72 -1.23 -2.49 117.46 115.52 1a8r n PHE 75 Ca -0.02 -0.78 0.18 0.00 -0.05 0.00 0.00 57.45 56.78 1a8r n PHE 75 Cb 0.08 -0.12 0.76 0.00 -0.94 0.00 0.00 39.48 39.26 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 0.30 0.00 0.38 4.37 4.64 -1.30 -0.78 113.55 121.16 1a8r h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a8r h SER 76 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1a8r h SER 76 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1a8r n GLY 77 N -1.50 -1.07 0.21 -0.77 0.00 -0.10 -1.89 105.19 100.07 1a8r n GLY 77 Ca 0.04 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -8.48 0.99 3.38 -1.25 -3.41 115.31 106.55 1a8r h LEU 78 Ca 0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 1a8r h LEU 78 Cb 0.19 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.73 1a8r h LEU 78 CO 0.00 0.27 -0.35 -0.62 0.09 0.00 0.00 178.44 177.84 1a8r s ASP 79 N -6.35 6.14 0.00 -0.43 2.15 -0.79 -4.94 116.67 112.44 1a8r s ASP 79 Ca -0.01 -0.91 0.00 0.00 0.43 0.00 0.00 52.55 52.07 1a8r s ASP 79 Cb 0.12 -2.18 0.02 0.00 -0.30 0.00 0.00 42.92 40.58 1a8r s ASP 79 CO 0.65 -0.52 0.66 -1.22 -0.17 0.00 0.00 175.17 174.57 1a8r n TYR 80 N 5.30 0.00 0.23 -5.34 4.01 -1.26 -0.47 117.16 119.64 1a8r n TYR 80 Ca -0.10 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.76 1a8r n TYR 80 Cb 0.47 -0.14 0.46 0.00 -0.31 0.00 0.00 39.34 39.81 1a8r n TYR 80 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a8r h ALA 81 N 2.02 0.99 -0.29 -0.72 0.00 -1.92 -2.58 119.26 116.76 1a8r h ALA 81 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1a8r h ALA 81 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a8r h ALA 81 CO 0.00 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.53 1a8r n ASN 82 N -3.26 2.48 -4.78 0.00 3.02 0.38 -4.96 115.26 108.15 1a8r n ASN 82 Ca 0.01 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.29 1a8r n ASN 82 Cb 0.43 -0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1a8r n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1a8r s PHE 83 N -1.63 2.62 0.64 3.10 5.36 -0.97 -4.93 117.98 122.16 1a8r s PHE 83 Ca 0.35 1.17 -0.18 0.00 -0.96 0.00 0.00 56.93 57.31 1a8r s PHE 83 Cb 0.19 -4.01 -0.01 0.00 -0.34 0.00 0.00 43.02 38.86 1a8r s PHE 83 CO 0.28 -2.95 1.23 -1.25 -1.46 0.00 0.00 175.22 171.07 1a8r s PRO 84 N -2.03 2.66 -0.32 10.12 0.04 -1.26 -4.95 135.00 139.26 1a8r s PRO 84 Ca 0.53 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 63.14 1a8r s PRO 84 Cb -0.46 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.21 1a8r s PRO 84 CO 0.62 -1.46 1.13 0.15 0.04 0.00 0.00 177.00 177.48 1a8r s LYS 85 N -3.50 4.03 -0.02 4.56 1.02 -1.26 -4.92 119.74 119.65 1a8r s LYS 85 Ca 0.78 1.10 -0.21 0.00 0.02 0.00 0.00 55.97 57.66 1a8r s LYS 85 Cb -0.32 -3.77 -0.05 0.00 -0.52 0.00 0.00 37.83 33.17 1a8r s LYS 85 CO 0.38 -0.96 0.60 0.42 -0.92 0.00 0.00 175.35 174.87 1a8r s ILE 86 N 3.82 4.94 -0.00 2.17 -1.09 -1.26 -4.95 121.20 124.82 1a8r s ILE 86 Ca 0.48 1.25 0.03 0.00 -2.23 0.00 0.00 60.65 60.18 1a8r s ILE 86 Cb -0.13 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.80 1a8r s ILE 86 CO 0.18 0.40 -0.11 0.42 -1.23 0.00 0.00 174.94 174.60 1a8r s THR 87 N -0.06 0.85 0.17 2.92 -4.23 -1.26 -5.09 115.64 108.94 1a8r s THR 87 Ca 0.31 -0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1a8r s THR 87 Cb -0.18 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 1a8r s THR 87 CO 0.17 0.19 0.06 -0.76 -0.54 0.00 0.00 174.62 173.74 1a8r s LEU 88 N -0.40 1.71 0.02 4.79 1.43 -1.26 -1.50 118.68 123.47 1a8r s LEU 88 Ca 0.03 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 1a8r s LEU 88 Cb -0.05 0.20 -0.02 0.00 0.03 0.00 0.00 46.19 46.35 1a8r s LEU 88 CO -0.00 -0.72 -0.03 0.27 0.23 0.00 0.00 176.35 176.10 1a8r s ILE 89 N -3.95 0.13 0.23 -0.59 -4.36 0.37 -4.94 121.20 108.10 1a8r s ILE 89 Ca 0.29 -0.86 -0.32 0.00 -0.26 0.00 0.00 60.65 59.50 1a8r s ILE 89 Cb 0.07 -0.27 -0.13 0.00 1.25 0.00 0.00 42.46 43.38 1a8r s ILE 89 CO 0.06 -0.46 1.51 1.21 0.24 0.00 0.00 174.94 177.50 1a8r n GLU 90 N 1.69 2.25 -0.95 0.37 2.13 -1.26 -0.14 120.64 124.72 1a8r n GLU 90 Ca -0.23 0.80 -0.25 0.00 0.66 0.00 0.00 57.16 58.15 1a8r n GLU 90 Cb 0.55 -2.52 -0.05 0.00 0.27 0.00 0.00 31.44 29.69 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 2.56 6.08 0.28 4.31 5.15 0.33 -4.50 115.26 129.47 1a8r n ASN 91 Ca 0.12 -2.39 0.15 0.00 -0.60 0.00 0.00 54.58 51.86 1a8r n ASN 91 Cb 0.32 -1.27 0.80 0.00 -0.53 0.00 0.00 39.78 39.10 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 5.10 0.00 0.00 1.20 1.57 -1.87 -0.50 116.57 122.07 1a8r h LYS 92 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1a8r h LYS 92 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1a8r h LYS 92 CO 1.25 0.08 0.00 0.52 -0.57 0.00 0.00 179.45 180.72 1a8r h MET 93 N 0.00 0.00 -5.64 3.15 2.86 -1.99 -3.46 114.93 109.85 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 0.33 0.00 0.16 0.00 0.06 0.00 0.00 31.60 32.15 1a8r h MET 93 CO 0.01 0.00 -0.73 1.63 1.06 0.00 0.00 176.91 178.88 1a8r n LYS 94 N -2.66 -6.91 -2.62 1.72 5.02 -0.20 -4.94 118.16 107.57 1a8r n LYS 94 Ca 0.01 0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 56.70 1a8r n LYS 94 Cb 0.24 -5.81 -0.03 0.00 -0.02 0.00 0.00 35.03 29.42 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 4.63 -0.10 -0.18 1.01 -1.26 -4.89 120.40 116.27 1a8r s VAL 95 Ca 0.17 1.91 0.18 0.00 0.00 0.00 0.00 61.98 64.24 1a8r s VAL 95 Cb -0.08 -4.23 0.39 0.00 0.00 0.00 0.00 36.38 32.47 1a8r s VAL 95 CO 0.72 0.01 1.18 -0.90 0.00 0.00 0.00 175.10 176.10 1a8r n ASP 96 N 5.02 1.31 -4.31 3.32 5.75 -1.26 -4.29 116.55 122.09 1a8r n ASP 96 Ca 0.09 -2.86 -0.25 0.00 -0.01 0.00 0.00 54.79 51.77 1a8r n ASP 96 Cb 0.48 -0.40 -0.13 0.00 -1.03 0.00 0.00 41.12 40.05 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 -1.52 1.18 0.57 0.11 0.41 -1.26 -4.94 118.70 113.24 1a8r s GLU 97 Ca 0.33 -1.21 -0.19 0.00 -0.41 0.00 0.00 54.97 53.49 1a8r s GLU 97 Cb 0.35 -1.47 -0.04 0.00 -1.78 0.00 0.00 34.13 31.18 1a8r s GLU 97 CO -0.11 0.34 1.20 0.00 -0.49 0.00 0.00 175.26 176.21 1a8r s MET 98 N -1.98 3.11 -0.15 1.61 0.23 -1.26 -4.24 119.30 116.63 1a8r s MET 98 Ca 0.08 1.82 -0.00 0.00 -1.03 0.00 0.00 55.69 56.55 1a8r s MET 98 Cb -0.10 -2.00 -0.01 0.00 -1.53 0.00 0.00 34.83 31.19 1a8r s MET 98 CO 0.05 -1.09 -0.13 0.08 -2.03 0.00 0.00 175.02 171.90 1a8r s VAL 99 N -1.60 2.95 -0.07 5.16 1.01 0.59 -4.92 120.40 123.52 1a8r s VAL 99 Ca 0.75 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1a8r s VAL 99 Cb -0.30 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1a8r s VAL 99 CO 0.33 0.51 -0.24 -0.89 0.00 0.00 0.00 175.10 174.81 1a8r s THR 100 N 0.68 2.14 -0.26 3.92 2.01 -1.26 -2.07 115.64 120.79 1a8r s THR 100 Ca -0.06 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.91 1a8r s THR 100 Cb -0.15 -1.79 0.05 0.00 0.01 0.00 0.00 72.50 70.61 1a8r s THR 100 CO 0.02 0.57 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.76 1a8r s VAL 101 N -0.07 2.57 0.21 3.82 1.01 0.61 -5.00 120.40 123.56 1a8r s VAL 101 Ca -0.06 -1.37 0.08 0.00 0.00 0.00 0.00 61.98 60.62 1a8r s VAL 101 Cb -0.15 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1a8r s VAL 101 CO 0.05 0.04 0.06 0.00 0.00 0.00 0.00 175.10 175.25 1a8r s ARG 102 N 1.21 2.56 -1.29 2.72 1.70 -1.26 -0.79 118.95 123.79 1a8r s ARG 102 Ca -0.05 -1.14 -0.07 0.00 -0.47 0.00 0.00 55.73 54.00 1a8r s ARG 102 Cb -0.19 -2.39 0.01 0.00 -0.57 0.00 0.00 34.95 31.81 1a8r s ARG 102 CO -0.04 0.42 1.12 -0.25 -1.08 0.00 0.00 175.30 175.47 1a8r n ASP 103 N -0.58 -5.21 -4.69 -2.89 8.00 -1.00 -4.96 116.55 105.22 1a8r n ASP 103 Ca -0.08 -0.55 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 1a8r n ASP 103 Cb 0.57 -4.98 -0.03 0.00 -0.02 0.00 0.00 41.12 36.66 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 -3.32 4.19 0.25 0.53 1.01 -0.19 -4.82 121.20 118.85 1a8r s ILE 104 Ca 0.43 1.52 -0.31 0.00 0.00 0.00 0.00 60.65 62.29 1a8r s ILE 104 Cb -0.19 -3.98 -0.12 0.00 0.01 0.00 0.00 42.46 38.19 1a8r s ILE 104 CO 0.72 0.00 1.67 -0.89 0.00 0.00 0.00 174.94 176.44 1a8r s THR 105 N 2.18 2.01 -0.06 2.92 2.01 -1.26 -1.14 115.64 122.29 1a8r s THR 105 Ca 0.57 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.56 1a8r s THR 105 Cb -0.26 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.28 1a8r s THR 105 CO 0.23 0.00 0.01 -0.22 -0.69 0.00 0.00 174.62 173.95 1a8r s LEU 106 N 0.40 0.60 -0.11 4.42 0.20 -0.30 -4.79 118.68 119.09 1a8r s LEU 106 Ca 0.70 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 55.48 1a8r s LEU 106 Cb -0.49 -0.38 0.02 0.00 -0.43 0.00 0.00 46.19 44.91 1a8r s LEU 106 CO 0.40 -0.19 -0.15 0.42 -0.29 0.00 0.00 176.35 176.54 1a8r s THR 107 N 1.87 1.50 0.29 3.68 -4.23 -1.26 -0.61 115.64 116.88 1a8r s THR 107 Ca 0.03 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 1a8r s THR 107 Cb -0.12 -1.38 -0.00 0.00 1.34 0.00 0.00 72.50 72.33 1a8r s THR 107 CO -0.04 0.44 0.36 -0.24 -0.54 0.00 0.00 174.62 174.60 1a8r n SER 108 N 4.29 -0.98 -4.07 3.99 2.88 -0.48 -4.15 113.62 115.10 1a8r n SER 108 Ca -0.19 -2.67 -0.23 0.00 -1.33 0.00 0.00 58.87 54.45 1a8r n SER 108 Cb 0.51 1.93 -0.16 0.00 -0.75 0.00 0.00 64.21 65.74 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 -2.87 1.09 0.10 2.46 2.01 -1.24 -0.93 115.64 116.26 1a8r s THR 109 Ca 0.27 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.45 1a8r s THR 109 Cb -0.00 -0.94 -0.06 0.00 0.01 0.00 0.00 72.50 71.51 1a8r s THR 109 CO 0.19 0.32 0.89 0.00 -0.69 0.00 0.00 174.62 175.33 1a8r n GLU 111 N 2.66 0.13 0.09 0.00 0.28 -0.11 -0.19 120.64 123.51 1a8r n GLU 111 Ca 0.00 0.20 -0.06 0.00 -0.16 0.00 0.00 57.16 57.14 1a8r n GLU 111 Cb 0.49 -1.68 0.02 0.00 1.43 0.00 0.00 31.44 31.70 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 0.09 0.00 -1.84 4.64 -1.93 -3.38 113.55 111.13 1a8r h SER 112 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1a8r h SER 112 Cb 0.52 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1a8r h SER 112 CO 0.00 0.88 0.00 1.41 -0.87 0.00 0.00 176.83 178.25 1a8r n HIS 113 N -3.61 0.00 -3.62 4.77 8.25 -1.23 -5.03 115.22 114.75 1a8r n HIS 113 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 1a8r n HIS 113 Cb 0.79 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.94 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 -0.06 -1.99 -4.44 4.41 3.01 0.74 -5.00 117.46 114.13 1a8r n PHE 114 Ca 0.00 0.86 -0.24 0.00 1.01 0.00 0.00 57.45 59.08 1a8r n PHE 114 Cb 0.14 -4.55 -0.10 0.00 -0.01 0.00 0.00 39.48 34.96 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 -3.58 2.35 0.31 -4.37 1.01 -1.22 -4.88 120.40 110.02 1a8r s VAL 115 Ca 0.02 -2.29 -0.29 0.00 0.00 0.00 0.00 61.98 59.41 1a8r s VAL 115 Cb -0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 36.38 34.04 1a8r s VAL 115 CO 0.79 -0.36 1.46 0.41 0.00 0.00 0.00 175.10 177.40 1a8r n THR 116 N -0.38 1.47 -3.99 3.92 -1.04 -1.26 -0.64 114.28 112.35 1a8r n THR 116 Ca -0.07 -0.37 -0.30 0.00 -2.04 0.00 0.00 64.05 61.27 1a8r n THR 116 Cb 0.59 -1.78 -0.16 0.00 -1.82 0.00 0.00 70.33 67.16 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 -0.53 1.57 -0.17 12.58 1.01 -0.10 -1.34 121.20 134.21 1a8r s ILE 117 Ca 0.60 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1a8r s ILE 117 Cb -0.54 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1a8r s ILE 117 CO 0.56 0.28 -0.05 -0.62 0.00 0.00 0.00 174.94 175.11 1a8r s ASP 118 N 1.45 4.56 0.27 3.58 2.15 -0.21 -1.38 116.67 127.10 1a8r s ASP 118 Ca 0.01 -0.23 -0.10 0.00 0.43 0.00 0.00 52.55 52.66 1a8r s ASP 118 Cb -0.15 -1.75 0.04 0.00 -0.30 0.00 0.00 42.92 40.76 1a8r s ASP 118 CO -0.09 0.11 0.53 0.61 -0.17 0.00 0.00 175.17 176.16 1a8r n GLY 119 N 3.94 1.34 2.88 2.66 0.00 0.22 0.29 105.19 116.53 1a8r n GLY 119 Ca -0.18 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.07 0.17 0.11 1.61 1.02 0.71 -1.15 119.74 120.13 1a8r s LYS 120 Ca 0.11 -0.03 0.08 0.00 0.02 0.00 0.00 55.97 56.14 1a8r s LYS 120 Cb -0.03 -0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.03 1a8r s LYS 120 CO 0.08 0.00 -0.14 0.00 -0.92 0.00 0.00 175.35 174.38 1a8r s ALA 121 N 0.17 2.83 -0.11 5.17 0.00 -0.29 -1.01 121.76 128.51 1a8r s ALA 121 Ca -0.01 -1.29 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 1a8r s ALA 121 Cb -0.03 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1a8r s ALA 121 CO -0.00 0.62 -0.09 0.99 0.00 0.00 0.00 175.76 177.27 1a8r s THR 122 N -1.18 1.12 -0.05 0.00 2.01 0.93 -1.02 115.64 117.47 1a8r s THR 122 Ca 0.20 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.90 1a8r s THR 122 Cb -0.11 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 1a8r s THR 122 CO 0.12 0.38 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.50 1a8r s VAL 123 N 1.58 1.97 0.03 3.82 1.01 0.03 -0.91 120.40 127.93 1a8r s VAL 123 Ca 0.03 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1a8r s VAL 123 Cb -0.13 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1a8r s VAL 123 CO -0.08 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.52 1a8r s ALA 124 N -0.24 0.37 0.10 5.51 0.00 -0.23 -0.28 121.76 127.00 1a8r s ALA 124 Ca -0.01 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 1a8r s ALA 124 Cb -0.13 0.11 0.07 0.00 0.00 0.00 0.00 23.12 23.18 1a8r s ALA 124 CO 0.02 -0.12 0.64 1.52 0.00 0.00 0.00 175.76 177.83 1a8r s TYR 125 N -1.66 -0.55 -0.24 0.00 1.13 -0.88 -0.36 117.35 114.78 1a8r s TYR 125 Ca -0.11 0.51 -0.06 0.00 -1.41 0.00 0.00 57.07 56.00 1a8r s TYR 125 Cb -0.08 0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 41.28 1a8r s TYR 125 CO -0.01 -0.77 0.03 0.42 -2.51 0.00 0.00 175.55 172.70 1a8r s ILE 126 N -3.09 3.93 0.24 -3.49 1.01 -0.70 -0.30 121.20 118.80 1a8r s ILE 126 Ca -0.02 -0.31 -0.31 0.00 0.00 0.00 0.00 60.65 60.02 1a8r s ILE 126 Cb -0.01 -2.83 -0.11 0.00 0.01 0.00 0.00 42.46 39.53 1a8r s ILE 126 CO -0.07 0.37 1.60 -2.84 0.00 0.00 0.00 174.94 174.00 1a8r s PRO 127 N 1.56 4.16 0.00 2.79 0.02 -1.26 -4.86 135.00 137.41 1a8r s PRO 127 Ca 0.06 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1a8r s PRO 127 Cb -0.15 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1a8r s PRO 127 CO 0.01 -0.63 0.00 1.17 -0.33 0.00 0.00 177.00 177.22 1a8r n LYS 128 N 3.05 0.00 0.03 5.54 4.81 -1.26 -4.58 118.16 125.75 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 0.37 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.33 1a8r n LYS 128 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1a8r h ASP 129 N 0.00 0.00 -3.53 3.14 3.32 -1.90 -3.45 116.42 114.00 1a8r h ASP 129 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1a8r h ASP 129 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1a8r h ASP 129 CO 0.00 0.79 -0.71 -0.94 -1.72 0.00 0.00 179.24 176.67 1a8r s SER 130 N -6.15 2.21 -0.19 6.45 1.04 -1.26 -0.52 113.70 115.29 1a8r s SER 130 Ca -0.02 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1a8r s SER 130 Cb 0.09 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.15 1a8r s SER 130 CO 0.81 -0.30 -0.17 -0.69 0.98 0.00 0.00 173.24 173.86 1a8r s VAL 131 N -3.17 2.29 0.42 5.02 1.01 0.80 -4.73 120.40 122.05 1a8r s VAL 131 Ca 0.22 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1a8r s VAL 131 Cb 0.02 -1.99 -0.09 0.00 0.00 0.00 0.00 36.38 34.32 1a8r s VAL 131 CO 0.06 0.51 0.88 -0.51 0.00 0.00 0.00 175.10 176.04 1a8r s ILE 132 N 1.32 4.54 0.13 2.22 2.07 -1.26 -0.48 121.20 129.75 1a8r s ILE 132 Ca 0.05 1.19 -0.31 0.00 -1.41 0.00 0.00 60.65 60.16 1a8r s ILE 132 Cb -0.13 -3.65 -0.09 0.00 0.13 0.00 0.00 42.46 38.72 1a8r s ILE 132 CO -0.11 -0.40 1.56 -0.83 -1.91 0.00 0.00 174.94 173.25 1a8r s GLY 133 N -2.54 1.62 0.20 1.50 0.00 -0.56 -4.91 107.32 102.62 1a8r s GLY 133 Ca 0.58 1.29 -0.17 0.00 0.00 0.00 0.00 44.72 46.42 1a8r s GLY 133 CO 0.21 2.65 1.61 1.41 0.00 0.00 0.00 173.10 178.98 1a8r h LEU 134 N 7.25 -0.83 -2.32 0.66 3.38 -1.94 -0.13 115.31 121.38 1a8r h LEU 134 Ca -0.42 0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1a8r h LEU 134 Cb 1.20 0.46 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 1a8r h LEU 134 CO 0.91 -0.26 0.11 0.77 0.09 0.00 0.00 178.44 180.07 1a8r h SER 135 N -0.09 0.00 -0.13 -0.43 4.64 -2.00 -1.38 113.55 114.16 1a8r h SER 135 Ca 0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 1a8r h SER 135 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1a8r h SER 135 CO -0.64 0.00 0.02 0.11 -0.87 0.00 0.00 176.83 175.44 1a8r h LYS 136 N 0.00 0.31 -0.36 4.77 1.79 -1.38 0.13 116.57 121.83 1a8r h LYS 136 Ca 0.05 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1a8r h LYS 136 Cb 0.27 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1a8r h LYS 136 CO -0.00 0.33 -0.02 0.82 -1.08 0.00 0.00 179.45 179.50 1a8r h ILE 137 N 0.31 1.26 -0.19 1.86 2.04 -1.31 -0.29 117.51 121.20 1a8r h ILE 137 Ca 0.07 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1a8r h ILE 137 Cb 0.19 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1a8r h ILE 137 CO 0.00 0.34 0.08 0.78 0.00 0.00 0.00 178.15 179.35 1a8r h ASN 138 N 0.47 0.25 -0.84 1.72 2.35 -1.37 -1.83 115.58 116.33 1a8r h ASN 138 Ca 0.10 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1a8r h ASN 138 Cb 0.49 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1a8r h ASN 138 CO 0.02 0.33 0.49 0.03 -1.65 0.00 0.00 177.43 176.66 1a8r h ARG 139 N 0.16 1.15 -0.26 0.81 3.08 -0.62 -1.08 114.38 117.62 1a8r h ARG 139 Ca 0.06 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1a8r h ARG 139 Cb 0.15 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1a8r h ARG 139 CO -0.01 0.82 -0.03 0.82 -1.07 0.00 0.00 179.97 180.50 1a8r h ILE 140 N 1.17 1.27 -0.31 2.04 2.04 -0.92 0.31 117.51 123.12 1a8r h ILE 140 Ca 0.30 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1a8r h ILE 140 Cb -0.03 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1a8r h ILE 140 CO -0.05 0.31 0.02 0.58 0.00 0.00 0.00 178.15 179.01 1a8r h VAL 141 N 0.25 0.81 -0.01 1.67 2.07 -1.03 -1.28 116.25 118.73 1a8r h VAL 141 Ca 0.07 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1a8r h VAL 141 Cb 0.47 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1a8r h VAL 141 CO 0.02 0.02 -0.34 1.56 0.02 0.00 0.00 177.57 178.85 1a8r h GLN 142 N 0.12 0.02 -0.02 1.57 1.08 -1.07 -0.90 115.11 115.91 1a8r h GLN 142 Ca 0.15 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1a8r h GLN 142 Cb 0.18 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1a8r h GLN 142 CO -0.22 0.35 0.01 0.35 -0.95 0.00 0.00 178.83 178.37 1a8r h PHE 143 N 0.02 0.03 0.00 2.96 3.57 0.76 -1.64 116.94 122.64 1a8r h PHE 143 Ca -0.00 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1a8r h PHE 143 Cb 0.61 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 1a8r h PHE 143 CO 0.00 0.20 -0.63 0.74 -2.23 0.00 0.00 178.31 176.39 1a8r h PHE 144 N -0.15 0.00 -0.49 0.41 0.04 -1.27 -3.12 116.94 112.36 1a8r h PHE 144 Ca 0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1a8r h PHE 144 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1a8r h PHE 144 CO -0.01 0.63 0.05 0.00 -0.60 0.00 0.00 178.31 178.38 1a8r h ALA 145 N 1.37 1.17 0.00 2.45 0.00 -1.01 -3.31 119.26 119.93 1a8r h ALA 145 Ca -0.01 -0.23 -0.65 0.00 0.00 0.00 0.00 54.91 54.02 1a8r h ALA 145 Cb 1.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1a8r h ALA 145 CO 0.08 0.55 2.94 1.04 0.00 0.00 0.00 179.25 183.86 1a8r n GLN 146 N -4.24 2.49 -3.58 0.00 1.13 -0.63 -4.14 117.38 108.41 1a8r n GLN 146 Ca 0.03 -2.18 -0.08 0.00 -1.94 0.00 0.00 57.00 52.82 1a8r n GLN 146 Cb 0.27 -3.01 -0.02 0.00 0.11 0.00 0.00 30.24 27.59 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 3.60 1.15 0.02 -1.09 0.52 -1.04 -0.93 118.95 121.19 1a8r s ARG 147 Ca 0.53 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.92 1a8r s ARG 147 Cb 0.14 0.47 -0.06 0.00 0.52 0.00 0.00 34.95 36.02 1a8r s ARG 147 CO -0.02 -0.51 1.42 -2.14 0.02 0.00 0.00 175.30 174.07 1a8r s PRO 148 N -3.43 4.28 0.33 3.54 0.02 -1.26 -3.62 135.00 134.86 1a8r s PRO 148 Ca 0.06 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.13 1a8r s PRO 148 Cb -0.02 -3.54 -0.06 0.00 0.02 0.00 0.00 34.50 30.89 1a8r s PRO 148 CO -0.06 -0.57 0.05 -0.65 -0.33 0.00 0.00 177.00 175.44 1a8r s GLN 149 N 2.29 1.67 -0.16 5.54 -1.52 0.14 -4.70 119.66 122.92 1a8r s GLN 149 Ca 0.65 -1.92 -0.02 0.00 -1.95 0.00 0.00 55.36 52.12 1a8r s GLN 149 Cb -0.33 -0.93 0.05 0.00 -0.22 0.00 0.00 33.01 31.58 1a8r s GLN 149 CO 0.27 -0.17 -0.00 0.08 -0.25 0.00 0.00 175.29 175.22 1a8r s VAL 150 N -3.24 0.71 0.37 1.09 1.01 -1.26 -0.93 120.40 118.14 1a8r s VAL 150 Ca 0.36 -0.44 0.15 0.00 0.00 0.00 0.00 61.98 62.06 1a8r s VAL 150 Cb 0.09 -1.02 0.36 0.00 0.00 0.00 0.00 36.38 35.81 1a8r s VAL 150 CO 0.16 0.02 1.75 -0.61 0.00 0.00 0.00 175.10 176.41 1a8r h GLN 151 N 8.22 0.44 -0.74 2.72 4.15 -1.99 0.14 115.11 128.06 1a8r h GLN 151 Ca -0.20 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.15 1a8r h GLN 151 Cb 1.12 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.68 1a8r h GLN 151 CO 0.34 0.29 0.28 0.93 -1.93 0.00 0.00 178.83 178.74 1a8r h GLU 152 N 0.46 1.12 -0.02 1.69 3.07 -1.99 -1.89 114.58 117.02 1a8r h GLU 152 Ca 0.63 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 59.26 1a8r h GLU 152 Cb 1.44 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1a8r h GLU 152 CO -0.38 0.93 -0.03 -0.09 -1.40 0.00 0.00 179.01 178.04 1a8r h ARG 153 N 1.07 0.05 -0.73 2.33 2.43 -1.47 -3.14 114.38 114.92 1a8r h ARG 153 Ca 0.24 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.55 1a8r h ARG 153 Cb 0.24 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 29.67 1a8r h ARG 153 CO -0.02 0.57 0.05 1.25 -1.51 0.00 0.00 179.97 180.31 1a8r h LEU 154 N -0.47 -0.24 -0.99 3.80 5.85 -0.92 0.56 115.31 122.90 1a8r h LEU 154 Ca 0.00 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1a8r h LEU 154 Cb 0.56 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1a8r h LEU 154 CO 0.01 -0.14 0.18 0.74 -0.34 0.00 0.00 178.44 178.89 1a8r h THR 155 N 0.14 1.23 0.15 1.05 2.02 -1.40 -2.44 112.91 113.66 1a8r h THR 155 Ca 0.40 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1a8r h THR 155 Cb 0.70 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1a8r h THR 155 CO -0.60 0.31 -0.07 1.56 0.37 0.00 0.00 175.52 177.08 1a8r h GLN 156 N 0.88 -0.20 -0.55 6.66 1.08 -0.92 -2.56 115.11 119.49 1a8r h GLN 156 Ca 0.20 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.51 1a8r h GLN 156 Cb 0.27 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.66 1a8r h GLN 156 CO -0.01 0.03 0.09 1.96 -0.95 0.00 0.00 178.83 179.95 1a8r h GLN 157 N -0.41 0.21 -0.64 1.46 4.20 -0.90 -0.97 115.11 118.07 1a8r h GLN 157 Ca -0.02 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1a8r h GLN 157 Cb 0.32 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1a8r h GLN 157 CO 0.03 0.14 0.23 0.82 -0.67 0.00 0.00 178.83 179.38 1a8r h ILE 158 N 0.21 1.24 0.38 2.54 2.04 -1.44 -0.77 117.51 121.71 1a8r h ILE 158 Ca 0.29 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1a8r h ILE 158 Cb 0.42 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1a8r h ILE 158 CO -0.39 0.31 -0.26 0.25 0.00 0.00 0.00 178.15 178.05 1a8r h LEU 159 N 0.90 -0.67 -0.00 1.44 5.85 -0.89 -0.24 115.31 121.70 1a8r h LEU 159 Ca 0.21 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1a8r h LEU 159 Cb 0.25 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1a8r h LEU 159 CO -0.01 -0.41 -0.08 0.40 -0.34 0.00 0.00 178.44 178.00 1a8r h ILE 160 N -0.63 0.79 -0.39 4.05 1.08 -1.14 -0.25 117.51 121.02 1a8r h ILE 160 Ca -0.04 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.51 1a8r h ILE 160 Cb 0.53 0.79 -0.08 0.00 -3.07 0.00 0.00 36.82 35.00 1a8r h ILE 160 CO 0.02 0.00 -0.12 0.00 -0.69 0.00 0.00 178.15 177.36 1a8r h ALA 161 N 0.85 0.23 -0.52 1.87 0.00 -0.98 0.11 119.26 120.81 1a8r h ALA 161 Ca 0.03 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1a8r h ALA 161 Cb 0.18 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1a8r h ALA 161 CO -0.08 -0.47 0.12 -0.07 0.00 0.00 0.00 179.25 178.74 1a8r h LEU 162 N -0.03 0.80 -0.38 0.00 3.38 -0.79 -0.98 115.31 117.31 1a8r h LEU 162 Ca 0.19 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1a8r h LEU 162 Cb 0.32 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1a8r h LEU 162 CO -0.42 0.83 0.13 1.56 0.09 0.00 0.00 178.44 180.64 1a8r h GLN 163 N 0.73 0.28 0.44 1.13 4.20 -0.02 0.32 115.11 122.20 1a8r h GLN 163 Ca 0.16 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1a8r h GLN 163 Cb 0.35 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1a8r h GLN 163 CO 0.00 0.19 -0.49 1.15 -0.67 0.00 0.00 178.83 179.01 1a8r h THR 164 N 0.29 0.04 -0.44 -0.54 2.02 -0.55 0.32 112.91 114.05 1a8r h THR 164 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 1a8r h THR 164 Cb 0.15 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1a8r h THR 164 CO -0.18 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 175.82 1a8r h LEU 165 N -0.95 0.56 0.00 2.58 3.38 -0.82 -2.66 115.31 117.41 1a8r h LEU 165 Ca -0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1a8r h LEU 165 Cb 0.84 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1a8r h LEU 165 CO -0.09 0.51 -0.53 -0.07 0.09 0.00 0.00 178.44 178.34 1a8r h LEU 166 N 0.63 0.00 -1.28 1.67 3.38 -0.17 -3.48 115.31 116.05 1a8r h LEU 166 Ca 0.15 -0.17 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1a8r h LEU 166 Cb 0.12 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.01 1a8r h LEU 166 CO -0.02 0.08 -0.63 0.61 0.09 0.00 0.00 178.44 178.57 1a8r n GLY 167 N 1.32 -0.31 3.58 0.83 0.00 0.11 -4.74 105.19 105.97 1a8r n GLY 167 Ca 0.03 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1a8r n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8r s THR 168 N -3.30 0.00 -0.55 2.61 2.01 -1.07 -4.88 115.64 110.47 1a8r s THR 168 Ca 0.26 -0.01 0.24 0.00 0.31 0.00 0.00 61.69 62.49 1a8r s THR 168 Cb -0.11 -0.98 0.16 0.00 0.01 0.00 0.00 72.50 71.58 1a8r s THR 168 CO 0.64 -0.00 1.45 0.78 -0.69 0.00 0.00 174.62 176.80 1a8r h ASN 169 N 4.35 0.00 -0.05 3.53 2.35 -1.94 -3.39 115.58 120.43 1a8r h ASN 169 Ca -0.28 -0.08 -0.62 0.00 -0.55 0.00 0.00 56.30 54.77 1a8r h ASN 169 Cb 1.15 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.57 1a8r h ASN 169 CO 0.17 0.04 2.19 0.59 -1.65 0.00 0.00 177.43 178.77 1a8r n ASN 170 N -2.46 2.58 -3.99 5.81 3.02 -1.26 -1.47 115.26 117.50 1a8r n ASN 170 Ca 0.03 -2.68 -0.13 0.00 -0.03 0.00 0.00 54.58 51.77 1a8r n ASN 170 Cb 0.48 -1.17 -0.12 0.00 -0.61 0.00 0.00 39.78 38.35 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 5.54 0.35 -0.02 2.41 1.01 -1.24 -1.73 120.40 126.72 1a8r s VAL 171 Ca 0.58 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1a8r s VAL 171 Cb 0.13 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 36.14 1a8r s VAL 171 CO 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.00 1a8r s ALA 172 N -0.87 0.25 -0.07 5.51 0.00 0.51 -0.28 121.76 126.81 1a8r s ALA 172 Ca -0.07 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1a8r s ALA 172 Cb -0.06 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1a8r s ALA 172 CO -0.00 -0.05 -0.15 0.08 0.00 0.00 0.00 175.76 175.64 1a8r s VAL 173 N 0.83 1.35 -0.03 0.00 1.01 -0.27 -1.06 120.40 122.24 1a8r s VAL 173 Ca -0.08 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1a8r s VAL 173 Cb -0.11 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1a8r s VAL 173 CO -0.02 0.40 -0.07 -0.55 0.00 0.00 0.00 175.10 174.86 1a8r s SER 174 N 0.57 1.03 -0.04 3.32 0.15 -0.09 -0.41 113.70 118.23 1a8r s SER 174 Ca -0.15 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.37 1a8r s SER 174 Cb -0.16 -0.32 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1a8r s SER 174 CO 0.05 0.03 -0.11 -0.63 1.20 0.00 0.00 173.24 173.78 1a8r s ILE 175 N 0.33 1.01 -0.11 6.45 1.01 0.09 -0.05 121.20 129.93 1a8r s ILE 175 Ca -0.05 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1a8r s ILE 175 Cb -0.09 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.49 1a8r s ILE 175 CO 0.00 0.31 -0.20 -0.62 0.00 0.00 0.00 174.94 174.43 1a8r s ASP 176 N 0.31 2.82 0.09 3.58 2.15 -0.18 -1.05 116.67 124.39 1a8r s ASP 176 Ca -0.06 -0.52 -0.12 0.00 0.43 0.00 0.00 52.55 52.27 1a8r s ASP 176 Cb -0.11 -1.29 0.02 0.00 -0.30 0.00 0.00 42.92 41.23 1a8r s ASP 176 CO 0.02 0.09 0.29 0.00 -0.17 0.00 0.00 175.17 175.39 1a8r s ALA 177 N 0.68 -0.57 -0.14 3.66 0.00 -0.16 -0.21 121.76 125.03 1a8r s ALA 177 Ca -0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 1a8r s ALA 177 Cb -0.16 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1a8r s ALA 177 CO 0.02 -0.52 -0.06 0.08 0.00 0.00 0.00 175.76 175.28 1a8r s VAL 178 N -3.45 3.71 -0.33 0.00 1.01 0.15 -0.66 120.40 120.82 1a8r s VAL 178 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1a8r s VAL 178 Cb 0.02 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1a8r s VAL 178 CO -0.09 0.51 0.13 -1.00 0.00 0.00 0.00 175.10 174.66 1a8r s HIS 179 N 0.19 3.20 -0.68 5.22 3.76 -1.26 -1.04 115.29 124.67 1a8r s HIS 179 Ca -0.03 -0.97 0.17 0.00 -0.15 0.00 0.00 55.06 54.08 1a8r s HIS 179 Cb -0.14 -2.33 0.74 0.00 1.11 0.00 0.00 32.58 31.96 1a8r s HIS 179 CO 0.03 -0.60 1.51 0.66 -0.85 0.00 0.00 174.74 175.50 1a8r n TYR 180 N 4.92 0.41 0.93 1.40 4.02 -0.45 -0.70 117.16 127.69 1a8r n TYR 180 Ca -0.13 0.18 0.13 0.00 -0.01 0.00 0.00 57.90 58.06 1a8r n TYR 180 Cb 0.47 -0.78 0.57 0.00 -0.02 0.00 0.00 39.34 39.58 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 -1.48 1.16 -0.02 0.00 0.31 0.12 -4.38 118.33 114.04 1a8r n VAL 182 Ca 0.07 -0.32 -0.16 0.00 -0.01 0.00 0.00 64.34 63.92 1a8r n VAL 182 Cb 0.30 -1.69 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 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 -0.63 0.42 -0.65 5.55 3.64 -1.10 -1.04 116.57 122.75 1a8r h LYS 183 Ca -0.52 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.49 1a8r h LYS 183 Cb 1.51 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1a8r h LYS 183 CO -0.28 1.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.91 1a8r n ALA 184 N -2.54 2.80 -3.66 5.00 0.00 -0.17 -3.87 120.51 118.07 1a8r n ALA 184 Ca -0.09 -1.50 -0.06 0.00 0.00 0.00 0.00 53.44 51.79 1a8r n ALA 184 Cb 0.58 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.55 1.13 6.90 0.00 3.52 -1.22 -4.96 118.95 122.76 1a8r s ARG 185 Ca 0.49 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.53 1a8r s ARG 185 Cb 0.29 0.43 0.00 0.00 -1.56 0.00 0.00 34.95 34.11 1a8r s ARG 185 CO 0.27 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.66 1a8r n GLY 186 N -0.39 2.56 0.28 8.12 0.00 -1.26 -1.40 105.19 113.10 1a8r n GLY 186 Ca -0.08 0.17 0.17 0.00 0.00 0.00 0.00 46.02 46.29 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 0.17 -6.34 -0.61 6.09 -1.84 -3.47 117.51 111.50 1a8r h ILE 187 Ca 0.00 -0.50 -0.46 0.00 -1.37 0.00 0.00 64.86 62.53 1a8r h ILE 187 Cb 0.00 1.42 0.01 0.00 0.47 0.00 0.00 36.82 38.72 1a8r h ILE 187 CO 0.00 0.05 -0.90 0.54 -3.07 0.00 0.00 178.15 174.77 1a8r n ARG 188 N -3.22 -2.83 -2.89 2.19 1.74 -0.49 -4.91 116.66 106.25 1a8r n ARG 188 Ca -0.01 0.45 -0.43 0.00 -0.77 0.00 0.00 57.85 57.10 1a8r n ARG 188 Cb 0.27 -4.48 -0.04 0.00 -1.02 0.00 0.00 32.46 27.18 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 -4.06 6.29 0.00 0.55 -1.08 -0.51 -4.89 116.67 112.97 1a8r s ASP 189 Ca 0.17 -0.58 0.22 0.00 -0.52 0.00 0.00 52.55 51.84 1a8r s ASP 189 Cb -0.06 -2.41 0.97 0.00 -1.46 0.00 0.00 42.92 39.96 1a8r s ASP 189 CO 0.87 -1.22 1.71 0.00 0.52 0.00 0.00 175.17 177.05 1a8r n ALA 190 N 7.30 2.03 -0.02 3.66 0.00 -1.26 -3.95 120.51 128.27 1a8r n ALA 190 Ca -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1a8r n ALA 190 Cb 0.47 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.47 0.21 -1.40 0.00 -2.24 -1.26 -5.05 114.28 103.07 1a8r n THR 191 Ca 0.06 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.28 1a8r n THR 191 Cb 0.24 -0.12 0.08 0.00 -2.10 0.00 0.00 70.33 68.43 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 -3.37 4.79 0.02 3.42 1.04 -1.26 -5.08 113.70 113.27 1a8r s SER 192 Ca -0.03 1.79 -0.11 0.00 0.48 0.00 0.00 55.95 58.08 1a8r s SER 192 Cb 0.04 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.65 1a8r s SER 192 CO 0.34 -1.84 0.22 0.00 0.98 0.00 0.00 173.24 172.94 1a8r s ALA 193 N -2.87 -0.48 -0.06 5.32 0.00 -1.26 -4.83 121.76 117.58 1a8r s ALA 193 Ca 0.61 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.50 1a8r s ALA 193 Cb -0.17 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1a8r s ALA 193 CO 0.54 -0.32 -0.12 0.99 0.00 0.00 0.00 175.76 176.85 1a8r s THR 194 N -2.10 3.20 -0.12 0.00 2.01 0.16 -4.94 115.64 113.86 1a8r s THR 194 Ca -0.09 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.28 1a8r s THR 194 Cb -0.03 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.21 1a8r s THR 194 CO -0.01 0.58 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.38 1a8r s THR 195 N -0.62 2.04 0.03 -0.82 2.01 -1.26 -0.99 115.64 116.04 1a8r s THR 195 Ca 0.09 -0.99 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1a8r s THR 195 Cb -0.11 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 1a8r s THR 195 CO 0.01 0.55 -0.13 0.42 -0.69 0.00 0.00 174.62 174.78 1a8r s THR 196 N 0.58 1.05 0.10 -0.82 -4.23 -0.21 -4.99 115.64 107.11 1a8r s THR 196 Ca -0.13 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1a8r s THR 196 Cb -0.17 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 1a8r s THR 196 CO 0.04 0.05 -0.09 0.42 -0.54 0.00 0.00 174.62 174.50 1a8r s THR 197 N -0.73 0.89 -0.26 3.99 -4.23 -1.26 -0.73 115.64 113.32 1a8r s THR 197 Ca 0.02 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 1a8r s THR 197 Cb -0.07 -1.51 0.11 0.00 1.34 0.00 0.00 72.50 72.37 1a8r s THR 197 CO 0.01 -0.68 0.21 -0.44 -0.54 0.00 0.00 174.62 173.18 1a8r s SER 198 N -2.71 2.26 -0.17 3.99 0.01 0.45 -4.94 113.70 112.59 1a8r s SER 198 Ca 0.09 -0.79 -0.12 0.00 1.31 0.00 0.00 55.95 56.43 1a8r s SER 198 Cb 0.00 0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.32 1a8r s SER 198 CO -0.01 -0.39 0.23 -0.76 0.41 0.00 0.00 173.24 172.72 1a8r s LEU 199 N 2.25 4.25 0.18 2.44 1.43 -1.26 -1.11 118.68 126.86 1a8r s LEU 199 Ca 0.08 0.42 0.09 0.00 -1.03 0.00 0.00 54.13 53.69 1a8r s LEU 199 Cb -0.15 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1a8r s LEU 199 CO -0.28 0.16 -0.18 -0.83 0.23 0.00 0.00 176.35 175.45 1a8r s GLY 200 N 0.27 1.44 0.00 -3.19 0.00 0.61 -4.46 107.32 101.99 1a8r s GLY 200 Ca 0.14 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1a8r s GLY 200 CO 0.02 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.12 1a8r n GLY 201 N 0.11 3.18 0.32 0.20 0.00 -0.54 -0.98 105.19 107.48 1a8r n GLY 201 Ca -0.12 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.44 0.99 3.38 -1.94 0.18 115.31 116.48 1a8r h LEU 202 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 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 -0.28 -0.26 0.09 0.00 0.00 178.44 177.99 1a8r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.32 0.15 116.94 116.94 1a8r h PHE 203 Ca 0.07 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.65 1a8r h PHE 203 Cb 0.36 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 1a8r h PHE 203 CO 0.00 0.28 -1.13 1.17 -0.60 0.00 0.00 178.31 178.02 1a8r n LYS 204 N -3.96 0.54 0.32 1.51 3.00 0.31 -4.15 118.16 115.73 1a8r n LYS 204 Ca -0.02 0.56 -0.13 0.00 -0.00 0.00 0.00 58.31 58.72 1a8r n LYS 204 Cb 0.35 -1.73 -0.06 0.00 0.00 0.00 0.00 35.03 33.59 1a8r n LYS 204 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1a8r h SER 205 N -1.00 -0.71 -3.39 3.14 0.02 -0.74 -3.43 113.55 107.43 1a8r h SER 205 Ca -0.28 0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 60.10 1a8r h SER 205 Cb 1.14 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.78 1a8r h SER 205 CO -0.17 -0.35 0.63 -0.55 -1.14 0.00 0.00 176.83 175.25 1a8r s SER 206 N -4.40 6.78 0.41 3.07 0.15 0.50 -4.91 113.70 115.31 1a8r s SER 206 Ca -0.12 0.80 0.12 0.00 0.70 0.00 0.00 55.95 57.45 1a8r s SER 206 Cb 0.01 -2.48 0.88 0.00 -1.71 0.00 0.00 66.02 62.73 1a8r s SER 206 CO 0.37 -0.78 1.95 -0.61 1.20 0.00 0.00 173.24 175.37 1a8r h GLN 207 N 8.18 0.13 0.21 5.44 4.15 -1.84 0.15 115.11 131.52 1a8r h GLN 207 Ca -0.22 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 1a8r h GLN 207 Cb 1.08 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1a8r h GLN 207 CO 0.97 0.29 -0.10 -0.97 -1.93 0.00 0.00 178.83 177.08 1a8r h ASN 208 N 0.12 -0.24 -0.10 -0.69 -1.24 -1.91 -0.35 115.58 111.18 1a8r h ASN 208 Ca 0.02 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.01 1a8r h ASN 208 Cb 0.35 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.46 1a8r h ASN 208 CO 0.02 -0.15 -0.00 0.74 -1.29 0.00 0.00 177.43 176.75 1a8r h THR 209 N -0.31 1.26 -0.40 -3.57 2.02 -1.72 -2.82 112.91 107.37 1a8r h THR 209 Ca -0.03 -0.82 0.08 0.00 0.77 0.00 0.00 66.41 66.41 1a8r h THR 209 Cb 0.24 1.60 -0.09 0.00 -1.74 0.00 0.00 68.15 68.16 1a8r h THR 209 CO 0.05 0.23 -0.35 -0.09 0.37 0.00 0.00 175.52 175.73 1a8r h ARG 210 N -0.10 -0.26 0.00 6.66 2.43 -0.57 -1.53 114.38 121.00 1a8r h ARG 210 Ca 0.03 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1a8r h ARG 210 Cb 0.36 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1a8r h ARG 210 CO 0.01 -0.17 -0.19 0.45 -1.51 0.00 0.00 179.97 178.55 1a8r h HIS 211 N -0.27 0.00 -0.40 2.20 3.86 -1.11 -0.85 115.15 118.58 1a8r h HIS 211 Ca 0.17 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1a8r h HIS 211 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1a8r h HIS 211 CO -0.55 0.19 0.01 0.93 0.86 0.00 0.00 177.93 179.37 1a8r h GLU 212 N 0.00 0.70 0.14 2.45 5.08 -1.03 0.16 114.58 122.08 1a8r h GLU 212 Ca -0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1a8r h GLU 212 Cb 0.69 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1a8r h GLU 212 CO 0.02 0.78 -0.07 0.35 -1.00 0.00 0.00 179.01 179.09 1a8r h PHE 213 N 0.53 -0.18 -0.61 4.33 3.57 -1.02 -2.43 116.94 121.13 1a8r h PHE 213 Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1a8r h PHE 213 Cb 0.45 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1a8r h PHE 213 CO 0.04 0.15 0.39 -0.07 -2.23 0.00 0.00 178.31 176.59 1a8r h LEU 214 N -0.52 0.70 -0.32 0.59 3.38 -1.10 -2.11 115.31 115.94 1a8r h LEU 214 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1a8r h LEU 214 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1a8r h LEU 214 CO 0.03 0.51 0.12 -0.09 0.09 0.00 0.00 178.44 179.10 1a8r h ARG 215 N 0.82 0.48 0.00 1.13 2.43 -0.65 -2.87 114.38 115.73 1a8r h ARG 215 Ca 0.22 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1a8r h ARG 215 Cb -0.08 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1a8r h ARG 215 CO -0.05 0.50 -0.08 0.00 -1.51 0.00 0.00 179.97 178.84 1a8r h ALA 216 N 0.96 1.66 -2.85 2.80 0.00 -0.89 -3.44 119.26 117.50 1a8r h ALA 216 Ca 0.11 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.41 1a8r h ALA 216 Cb 0.21 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.07 1a8r h ALA 216 CO -0.01 0.10 0.81 0.08 0.00 0.00 0.00 179.25 180.23 1a8r s VAL 217 N -4.68 2.18 -0.24 0.00 1.01 -0.85 -4.33 120.40 113.50 1a8r s VAL 217 Ca -0.04 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 1a8r s VAL 217 Cb 0.15 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1a8r s VAL 217 CO 0.63 0.03 0.01 -1.14 0.00 0.00 0.00 175.10 174.64 1a8r n ARG 218 N 1.48 -2.85 -3.85 2.72 3.00 -1.26 -5.03 116.66 110.87 1a8r n ARG 218 Ca 0.05 2.36 -0.30 0.00 -0.00 0.00 0.00 57.85 59.96 1a8r n ARG 218 Cb 0.39 -4.48 -0.15 0.00 0.00 0.00 0.00 32.46 28.21 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 2.24 -0.35 -0.14 3.76 -1.26 -5.09 115.29 113.19 1a8r s HIS 219 Ca -0.01 -1.91 -0.35 0.00 -0.15 0.00 0.00 55.06 52.63 1a8r s HIS 219 Cb 0.00 -1.85 -0.11 0.00 1.11 0.00 0.00 32.58 31.72 1a8r s HIS 219 CO 0.63 -0.84 2.19 0.72 -0.85 0.00 0.00 174.74 176.59 1a8r n HIS 220 N 4.70 1.59 -0.20 1.40 8.25 -1.26 -5.04 115.22 124.66 1a8r n HIS 220 Ca -0.04 0.29 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