#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 -5.15 113.62 108.86 1a8r n SER 2 Ca 0.00 -0.04 -0.37 0.00 -1.33 0.00 0.00 58.87 57.13 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 3.89 0.80 2.46 1.43 -1.26 -5.01 118.68 121.00 1a8r s LEU 3 Ca 0.00 2.39 -0.11 0.00 -1.03 0.00 0.00 54.13 55.37 1a8r s LEU 3 Cb 0.00 -4.35 0.07 0.00 0.03 0.00 0.00 46.19 41.94 1a8r s LEU 3 CO 0.00 -1.18 1.09 -0.94 0.23 0.00 0.00 176.35 175.55 1a8r s SER 4 N -1.38 4.39 0.21 2.29 1.04 -1.26 -4.82 113.70 114.18 1a8r s SER 4 Ca 0.68 1.44 -0.10 0.00 0.48 0.00 0.00 55.95 58.45 1a8r s SER 4 Cb -0.30 -2.18 0.25 0.00 0.10 0.00 0.00 66.02 63.89 1a8r s SER 4 CO 0.36 -2.05 1.78 0.11 0.98 0.00 0.00 173.24 174.42 1a8r h LYS 5 N -1.14 0.54 -0.30 4.02 1.57 -1.99 -0.88 116.57 118.39 1a8r h LYS 5 Ca -0.47 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1a8r h LYS 5 Cb 1.26 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1a8r h LYS 5 CO 0.57 0.36 0.13 0.93 -0.57 0.00 0.00 179.45 180.88 1a8r h GLU 6 N 0.56 0.44 -0.48 3.15 3.07 -1.97 -0.61 114.58 118.73 1a8r h GLU 6 Ca 0.29 -0.07 0.07 0.00 -0.50 0.00 0.00 59.36 59.15 1a8r h GLU 6 Cb 0.26 -0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.04 1a8r h GLU 6 CO -0.22 0.43 0.17 0.00 -1.40 0.00 0.00 179.01 177.98 1a8r h ALA 7 N 0.99 0.58 0.49 3.43 0.00 -1.76 0.42 119.26 123.40 1a8r h ALA 7 Ca 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1a8r h ALA 7 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a8r h ALA 7 CO -0.01 -0.22 -0.32 0.00 0.00 0.00 0.00 179.25 178.70 1a8r h ALA 8 N 1.32 -0.78 -0.01 0.00 0.00 -0.84 -0.31 119.26 118.64 1a8r h ALA 8 Ca 0.23 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1a8r h ALA 8 Cb 0.24 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1a8r h ALA 8 CO -0.24 -0.95 -0.16 -0.07 0.00 0.00 0.00 179.25 177.83 1a8r h LEU 9 N -0.77 -0.47 0.02 0.00 3.38 -0.82 -0.37 115.31 116.29 1a8r h LEU 9 Ca -0.05 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1a8r h LEU 9 Cb 0.64 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 1a8r h LEU 9 CO 0.04 -0.22 -0.22 0.58 0.09 0.00 0.00 178.44 178.71 1a8r h VAL 10 N -0.26 0.49 -0.77 1.22 2.07 -0.88 0.12 116.25 118.24 1a8r h VAL 10 Ca 0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1a8r h VAL 10 Cb 0.33 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1a8r h VAL 10 CO -0.16 0.00 0.43 -0.74 0.02 0.00 0.00 177.57 177.11 1a8r h HIS 11 N -0.36 0.77 0.07 1.57 -0.00 -0.87 0.30 115.15 116.62 1a8r h HIS 11 Ca 0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1a8r h HIS 11 Cb 0.43 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 1a8r h HIS 11 CO -0.25 0.31 -0.03 0.93 -0.00 0.00 0.00 177.93 178.89 1a8r h GLU 12 N 0.73 -0.09 -0.65 5.26 5.08 -0.45 -1.04 114.58 123.42 1a8r h GLU 12 Ca 0.37 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.82 1a8r h GLU 12 Cb 0.34 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1a8r h GLU 12 CO -0.24 0.05 0.31 0.00 -1.00 0.00 0.00 179.01 178.12 1a8r h ALA 13 N 0.73 0.87 -0.25 3.43 0.00 -0.08 0.65 119.26 124.61 1a8r h ALA 13 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1a8r h ALA 13 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1a8r h ALA 13 CO 0.02 -0.08 0.06 -0.07 0.00 0.00 0.00 179.25 179.18 1a8r h LEU 14 N 0.55 0.38 -0.79 0.00 3.38 -0.82 -1.40 115.31 116.62 1a8r h LEU 14 Ca 0.31 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1a8r h LEU 14 Cb 0.32 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1a8r h LEU 14 CO -0.25 0.51 0.50 0.58 0.09 0.00 0.00 178.44 179.87 1a8r h VAL 15 N 0.23 1.21 -0.51 1.22 2.07 -0.68 0.29 116.25 120.08 1a8r h VAL 15 Ca 0.08 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.25 1a8r h VAL 15 Cb 0.28 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 1a8r h VAL 15 CO 0.00 0.21 0.18 0.00 0.02 0.00 0.00 177.57 177.99 1a8r h ALA 16 N 1.27 0.63 -0.00 1.67 0.00 -0.65 -0.51 119.26 121.67 1a8r h ALA 16 Ca 0.29 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1a8r h ALA 16 Cb -0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1a8r h ALA 16 CO -0.06 -0.21 -0.01 0.54 0.00 0.00 0.00 179.25 179.51 1a8r n ARG 17 N -5.00 0.91 -2.57 0.00 3.00 -0.55 -4.89 116.66 107.56 1a8r n ARG 17 Ca 0.06 -0.11 -0.14 0.00 -0.01 0.00 0.00 57.85 57.64 1a8r n ARG 17 Cb 0.21 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.18 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 1.10 -0.14 0.00 -0.13 0.00 -0.20 -4.92 105.19 100.91 1a8r n GLY 18 Ca 0.21 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1a8r n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a8r n LEU 19 N -2.44 0.74 -4.70 0.99 4.77 -0.01 -5.01 117.00 111.34 1a8r n LEU 19 Ca -0.11 -0.42 -0.39 0.00 -0.03 0.00 0.00 56.01 55.06 1a8r n LEU 19 Cb 0.60 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1a8r n LEU 19 CO 0.26 0.18 0.85 -0.62 -1.33 0.00 0.00 177.39 176.73 1a8r n GLU 20 N -1.55 1.59 -2.08 3.23 -0.58 -1.22 -4.86 120.64 115.16 1a8r n GLU 20 Ca 0.02 0.58 -0.41 0.00 -0.42 0.00 0.00 57.16 56.93 1a8r n GLU 20 Cb 0.32 -2.41 -0.02 0.00 -0.57 0.00 0.00 31.44 28.76 1a8r n GLU 20 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1a8r s THR 21 N -1.30 2.72 -0.80 2.62 2.01 -1.26 -4.81 115.64 114.82 1a8r s THR 21 Ca 0.69 0.67 -0.19 0.00 0.31 0.00 0.00 61.69 63.17 1a8r s THR 21 Cb -0.45 -3.43 -0.19 0.00 0.01 0.00 0.00 72.50 68.44 1a8r s THR 21 CO 0.52 0.14 2.10 -2.65 -0.69 0.00 0.00 174.62 174.04 1a8r n PRO 22 N 1.43 0.25 -4.86 4.92 -0.02 -1.26 -4.87 135.00 130.59 1a8r n PRO 22 Ca 0.03 -0.73 -0.25 0.00 -2.02 0.00 0.00 63.50 60.53 1a8r n PRO 22 Cb 0.41 -2.75 -0.15 0.00 -0.02 0.00 0.00 33.50 30.99 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 9.94 2.03 0.02 2.45 2.96 -1.26 -5.14 118.68 129.68 1a8r s LEU 23 Ca 0.88 -0.33 -0.11 0.00 -0.22 0.00 0.00 54.13 54.35 1a8r s LEU 23 Cb -0.27 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.44 1a8r s LEU 23 CO 0.21 0.22 0.37 -0.13 -1.32 0.00 0.00 176.35 175.70 1a8r s ARG 24 N -0.39 3.79 0.65 1.98 0.52 -1.26 -5.07 118.95 119.17 1a8r s ARG 24 Ca 0.06 0.23 -0.17 0.00 -0.52 0.00 0.00 55.73 55.33 1a8r s ARG 24 Cb -0.07 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 1a8r s ARG 24 CO -0.00 0.64 1.13 -2.30 0.02 0.00 0.00 175.30 174.79 1a8r n PRO 25 N 1.41 0.90 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.28 1a8r n PRO 25 Ca -0.12 0.36 -0.21 0.00 -2.02 0.00 0.00 63.50 61.51 1a8r n PRO 25 Cb 0.53 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 1a8r n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a8r n PRO 26 N -1.69 0.37 -0.14 0.52 -0.02 -1.26 -4.77 135.00 128.00 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 -2.55 0.20 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.85 -1.45 2.07 -2.04 -3.43 116.25 117.24 1a8r h VAL 27 Ca -0.02 -0.74 -0.14 0.00 0.82 0.00 0.00 66.70 66.62 1a8r h VAL 27 Cb 1.10 0.59 -0.26 0.00 -1.52 0.00 0.00 31.29 31.20 1a8r h VAL 27 CO 1.27 0.28 -0.33 -1.00 0.02 0.00 0.00 177.57 177.81 1a8r s HIS 28 N -5.30 -0.43 -1.48 1.57 3.76 -1.26 -5.05 115.29 107.10 1a8r s HIS 28 Ca -0.10 1.00 -0.11 0.00 -0.15 0.00 0.00 55.06 55.70 1a8r s HIS 28 Cb 0.16 0.15 0.02 0.00 1.11 0.00 0.00 32.58 34.02 1a8r s HIS 28 CO 0.80 -0.23 2.49 0.39 -0.85 0.00 0.00 174.74 177.34 1a8r n GLU 29 N 3.41 3.55 -3.33 1.40 1.02 -1.26 -4.93 120.64 120.51 1a8r n GLU 29 Ca -0.17 -2.70 -0.38 0.00 -0.02 0.00 0.00 57.16 53.88 1a8r n GLU 29 Cb 0.56 -2.95 -0.06 0.00 -0.02 0.00 0.00 31.44 28.97 1a8r n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1a8r s MET 30 N 1.76 4.24 0.32 3.49 1.75 -1.26 -5.03 119.30 124.56 1a8r s MET 30 Ca 0.56 0.52 -0.29 0.00 -1.25 0.00 0.00 55.69 55.22 1a8r s MET 30 Cb 0.16 -3.36 -0.11 0.00 2.84 0.00 0.00 34.83 34.35 1a8r s MET 30 CO -0.07 0.35 1.57 0.34 -0.65 0.00 0.00 175.02 176.56 1a8r s ASP 31 N -0.02 6.34 0.43 1.11 -1.08 -1.26 -4.89 116.67 117.31 1a8r s ASP 31 Ca 0.27 3.00 0.26 0.00 -0.52 0.00 0.00 52.55 55.55 1a8r s ASP 31 Cb -0.16 -2.65 1.30 0.00 -1.46 0.00 0.00 42.92 39.95 1a8r s ASP 31 CO 0.13 -0.92 1.71 0.78 0.52 0.00 0.00 175.17 177.39 1a8r h ASN 32 N 4.31 0.30 -0.90 -0.34 4.21 -2.00 -1.59 115.58 119.58 1a8r h ASN 32 Ca -0.48 0.10 0.06 0.00 1.21 0.00 0.00 56.30 57.19 1a8r h ASN 32 Cb 1.23 0.06 -0.06 0.00 -1.12 0.00 0.00 38.32 38.43 1a8r h ASN 32 CO 0.75 -0.04 0.58 -0.33 -1.29 0.00 0.00 177.43 177.10 1a8r h GLU 33 N 0.21 0.99 -0.30 0.81 5.08 -1.99 0.11 114.58 119.49 1a8r h GLU 33 Ca 0.70 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.85 1a8r h GLU 33 Cb 2.10 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 1a8r h GLU 33 CO -0.31 0.65 -0.40 1.15 -1.00 0.00 0.00 179.01 179.10 1a8r h THR 34 N 1.02 1.29 -0.26 1.13 2.02 -1.66 -0.42 112.91 116.03 1a8r h THR 34 Ca 0.38 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.98 1a8r h THR 34 Cb 0.20 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1a8r h THR 34 CO -0.14 0.51 0.17 0.03 0.37 0.00 0.00 175.52 176.46 1a8r h ARG 35 N 0.57 0.34 -0.77 6.66 3.08 -1.35 0.17 114.38 123.09 1a8r h ARG 35 Ca 0.04 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.09 1a8r h ARG 35 Cb 0.99 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 1a8r h ARG 35 CO 0.09 0.23 0.49 0.87 -1.07 0.00 0.00 179.97 180.59 1a8r h LYS 36 N 0.35 0.95 -0.54 0.04 1.57 -0.65 0.18 116.57 118.49 1a8r h LYS 36 Ca 0.10 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1a8r h LYS 36 Cb -0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1a8r h LYS 36 CO -0.02 0.63 -0.03 0.66 -0.57 0.00 0.00 179.45 180.12 1a8r h SER 37 N 0.98 0.96 -0.26 0.86 4.64 -0.57 0.11 113.55 120.27 1a8r h SER 37 Ca 0.30 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1a8r h SER 37 Cb -0.04 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 1a8r h SER 37 CO -0.09 1.05 0.09 -0.07 -0.87 0.00 0.00 176.83 176.94 1a8r h LEU 38 N 0.84 0.36 -0.43 5.97 3.38 -0.02 -1.23 115.31 124.18 1a8r h LEU 38 Ca 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1a8r h LEU 38 Cb 0.58 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1a8r h LEU 38 CO 0.03 0.45 0.19 0.40 0.09 0.00 0.00 178.44 179.60 1a8r h ILE 39 N 0.26 1.19 -0.65 1.22 2.04 -0.57 -2.24 117.51 118.75 1a8r h ILE 39 Ca 0.08 -0.56 0.10 0.00 1.00 0.00 0.00 64.86 65.49 1a8r h ILE 39 Cb 0.21 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 1a8r h ILE 39 CO -0.01 0.21 0.26 0.00 0.00 0.00 0.00 178.15 178.61 1a8r h ALA 40 N 1.03 0.87 0.01 1.87 0.00 -0.58 -0.72 119.26 121.74 1a8r h ALA 40 Ca 0.14 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1a8r h ALA 40 Cb 0.15 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1a8r h ALA 40 CO -0.02 -0.18 -0.08 0.78 0.00 0.00 0.00 179.25 179.76 1a8r h GLY 41 N 0.44 -0.09 0.78 0.00 0.00 -0.76 0.12 103.07 103.56 1a8r h GLY 41 Ca 0.34 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.81 1a8r h GLY 41 CO -0.32 -0.09 0.64 0.45 0.00 0.00 0.00 176.54 177.22 1a8r h HIS 42 N -0.14 1.18 -0.53 5.60 -0.00 -0.75 -1.34 115.15 119.16 1a8r h HIS 42 Ca 0.03 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.37 1a8r h HIS 42 Cb 0.17 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.17 1a8r h HIS 42 CO -0.14 0.63 0.10 0.52 -0.00 0.00 0.00 177.93 179.04 1a8r h MET 43 N 1.18 0.88 -0.51 2.45 2.86 -0.72 -0.68 114.93 120.38 1a8r h MET 43 Ca 0.41 -0.23 0.06 0.00 -2.06 0.00 0.00 59.70 57.89 1a8r h MET 43 Cb 0.12 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 1a8r h MET 43 CO -0.16 0.85 0.21 1.15 1.06 0.00 0.00 176.91 180.02 1a8r h THR 44 N 0.76 0.86 0.16 2.22 2.02 -0.18 0.09 112.91 118.84 1a8r h THR 44 Ca 0.16 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1a8r h THR 44 Cb 0.39 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1a8r h THR 44 CO 0.01 0.07 -0.11 -0.33 0.37 0.00 0.00 175.52 175.53 1a8r h GLU 45 N 0.40 -0.27 -0.37 6.66 4.39 -0.95 -1.32 114.58 123.13 1a8r h GLU 45 Ca 0.24 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.02 1a8r h GLU 45 Cb 0.24 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1a8r h GLU 45 CO -0.23 -0.18 0.07 0.82 -1.16 0.00 0.00 179.01 178.33 1a8r h ILE 46 N -0.28 0.81 -0.63 3.13 2.04 -0.55 0.16 117.51 122.20 1a8r h ILE 46 Ca -0.01 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1a8r h ILE 46 Cb 0.24 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1a8r h ILE 46 CO 0.00 0.04 0.37 0.24 0.00 0.00 0.00 178.15 178.79 1a8r h MET 47 N 0.19 0.85 -0.55 2.37 2.86 -0.85 0.48 114.93 120.28 1a8r h MET 47 Ca 0.18 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1a8r h MET 47 Cb 0.21 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1a8r h MET 47 CO -0.24 0.60 -0.11 1.96 1.06 0.00 0.00 176.91 180.19 1a8r h GLN 48 N 0.86 1.04 0.00 1.72 4.20 -0.21 0.24 115.11 122.97 1a8r h GLN 48 Ca 0.23 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1a8r h GLN 48 Cb -0.02 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1a8r h GLN 48 CO -0.04 1.08 -0.04 -0.07 -0.67 0.00 0.00 178.83 179.09 1a8r h LEU 49 N 0.92 0.00 -1.31 1.46 3.38 0.88 0.16 115.31 120.80 1a8r h LEU 49 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1a8r h LEU 49 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1a8r h LEU 49 CO 0.05 0.04 0.00 0.18 0.09 0.00 0.00 178.44 178.80 1a8r n LEU 50 N -3.29 2.04 -2.16 1.67 4.77 -0.00 -4.94 117.00 115.08 1a8r n LEU 50 Ca -0.02 -0.69 -0.18 0.00 -0.03 0.00 0.00 56.01 55.10 1a8r n LEU 50 Cb 0.19 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1a8r n LEU 50 CO 0.26 0.34 -0.14 0.59 -1.33 0.00 0.00 177.39 177.11 1a8r n ASN 51 N 0.59 -5.15 -4.76 -1.43 3.02 0.57 -4.99 115.26 103.11 1a8r n ASN 51 Ca 0.17 -0.10 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 1a8r n ASN 51 Cb 0.44 -4.15 -0.05 0.00 -0.61 0.00 0.00 39.78 35.40 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 -5.17 4.51 -1.06 3.41 1.43 -0.02 -4.98 118.68 116.79 1a8r s LEU 52 Ca 0.09 1.51 -0.21 0.00 -1.03 0.00 0.00 54.13 54.49 1a8r s LEU 52 Cb -0.04 -3.24 0.07 0.00 0.03 0.00 0.00 46.19 43.01 1a8r s LEU 52 CO 0.11 0.10 1.45 -0.62 0.23 0.00 0.00 176.35 177.62 1a8r s ASP 53 N -0.51 6.61 0.00 2.29 2.15 -1.26 -4.58 116.67 121.37 1a8r s ASP 53 Ca 0.37 -1.79 0.00 0.00 0.43 0.00 0.00 52.55 51.56 1a8r s ASP 53 Cb -0.21 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1a8r s ASP 53 CO 0.24 -1.34 0.75 0.18 -0.17 0.00 0.00 175.17 174.83 1a8r n LEU 54 N 8.28 0.00 0.13 -1.34 4.77 -1.26 -1.09 117.00 126.49 1a8r n LEU 54 Ca 0.34 0.26 -0.01 0.00 -0.03 0.00 0.00 56.01 56.58 1a8r n LEU 54 Cb 0.49 -0.26 0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1a8r n LEU 54 CO 0.65 -0.26 0.43 0.00 -1.33 0.00 0.00 177.39 176.88 1a8r h ALA 55 N 1.92 0.74 -2.79 -1.18 0.00 -1.92 -3.22 119.26 112.82 1a8r h ALA 55 Ca 0.00 -0.59 -0.53 0.00 0.00 0.00 0.00 54.91 53.79 1a8r h ALA 55 Cb 0.02 -0.10 0.08 0.00 0.00 0.00 0.00 17.79 17.78 1a8r h ALA 55 CO 0.00 0.82 0.85 0.34 0.00 0.00 0.00 179.25 181.26 1a8r s ASP 56 N -6.64 6.45 0.35 0.00 2.15 -0.25 -4.78 116.67 113.95 1a8r s ASP 56 Ca 0.01 2.87 0.09 0.00 0.43 0.00 0.00 52.55 55.95 1a8r s ASP 56 Cb 0.11 -2.63 0.83 0.00 -0.30 0.00 0.00 42.92 40.93 1a8r s ASP 56 CO 0.76 -0.85 1.85 -2.24 -0.17 0.00 0.00 175.17 174.51 1a8r h ASP 57 N 4.89 0.65 0.23 -0.34 2.03 -1.89 0.20 116.42 122.20 1a8r h ASP 57 Ca -0.47 0.05 -0.09 0.00 -0.73 0.00 0.00 57.03 55.79 1a8r h ASP 57 Cb 1.22 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 1a8r h ASP 57 CO 0.79 0.30 -0.36 -1.28 -1.03 0.00 0.00 179.24 177.66 1a8r h SER 58 N 0.68 0.20 0.17 4.15 0.87 -1.95 -3.25 113.55 114.42 1a8r h SER 58 Ca 0.48 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1a8r h SER 58 Cb 0.82 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1a8r h SER 58 CO -0.23 0.56 -1.70 0.18 -0.53 0.00 0.00 176.83 175.10 1a8r n LEU 59 N -4.07 0.25 -0.19 2.23 4.77 -0.30 -4.61 117.00 115.08 1a8r n LEU 59 Ca -0.01 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1a8r n LEU 59 Cb 0.44 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1a8r n LEU 59 CO 0.41 0.00 0.76 -0.03 -1.33 0.00 0.00 177.39 177.20 1a8r h MET 60 N 0.00 0.01 -0.01 3.23 4.05 -0.68 -2.37 114.93 119.17 1a8r h MET 60 Ca 0.00 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1a8r h MET 60 Cb 0.93 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.73 1a8r h MET 60 CO 0.00 0.01 -0.13 0.39 0.23 0.00 0.00 176.91 177.41 1a8r n GLU 61 N -5.39 1.08 -0.15 0.39 -0.58 -1.26 -4.42 120.64 110.31 1a8r n GLU 61 Ca 0.07 -0.56 -0.04 0.00 -0.42 0.00 0.00 57.16 56.21 1a8r n GLU 61 Cb 0.31 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.72 1a8r n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1a8r h THR 62 N 1.37 0.51 -0.85 2.62 2.02 -1.68 -0.30 112.91 116.60 1a8r h THR 62 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1a8r h THR 62 Cb 0.45 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1a8r h THR 62 CO 0.00 0.00 0.55 -0.65 0.37 0.00 0.00 175.52 175.79 1a8r h PRO 63 N -0.02 0.92 -0.22 6.66 0.11 -1.78 0.13 132.00 137.80 1a8r h PRO 63 Ca 0.22 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1a8r h PRO 63 Cb 0.36 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1a8r h PRO 63 CO -0.49 0.61 -0.10 1.25 -0.21 0.00 0.00 178.00 179.05 1a8r h HIS 64 N 0.94 0.53 -0.67 0.65 -0.00 -1.64 -1.84 115.15 113.12 1a8r h HIS 64 Ca 0.37 -0.13 0.02 0.00 -0.00 0.00 0.00 60.37 60.63 1a8r h HIS 64 Cb 0.22 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.47 1a8r h HIS 64 CO -0.00 0.73 0.42 0.00 -0.00 0.00 0.00 177.93 179.08 1a8r h ARG 65 N 0.17 0.81 -0.55 5.26 3.08 -0.07 0.44 114.38 123.52 1a8r h ARG 65 Ca 0.05 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1a8r h ARG 65 Cb 0.59 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1a8r h ARG 65 CO 0.03 0.53 -0.11 0.82 -1.07 0.00 0.00 179.97 180.17 1a8r h ILE 66 N 0.83 1.27 -0.27 2.04 2.04 -0.76 -0.21 117.51 122.45 1a8r h ILE 66 Ca 0.26 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1a8r h ILE 66 Cb -0.01 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1a8r h ILE 66 CO -0.09 0.45 0.14 0.00 0.00 0.00 0.00 178.15 178.64 1a8r h ALA 67 N 0.93 0.34 -0.94 1.87 0.00 -0.91 -0.84 119.26 119.71 1a8r h ALA 67 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1a8r h ALA 67 Cb 0.69 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1a8r h ALA 67 CO 0.05 -0.11 0.56 -0.22 0.00 0.00 0.00 179.25 179.53 1a8r h LYS 68 N 0.30 1.28 0.28 0.00 3.64 -0.78 -1.76 116.57 119.53 1a8r h LYS 68 Ca 0.09 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1a8r h LYS 68 Cb 0.09 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1a8r h LYS 68 CO -0.01 0.90 -0.13 1.98 -2.27 0.00 0.00 179.45 179.91 1a8r h MET 69 N 1.30 -0.36 -0.07 1.90 4.05 -0.65 0.86 114.93 121.96 1a8r h MET 69 Ca 0.34 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1a8r h MET 69 Cb -0.05 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1a8r h MET 69 CO -0.06 -0.11 0.04 1.88 0.23 0.00 0.00 176.91 178.89 1a8r h TYR 70 N -0.58 0.08 0.25 1.39 0.05 -1.04 0.91 116.97 118.04 1a8r h TYR 70 Ca -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1a8r h TYR 70 Cb 0.42 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1a8r h TYR 70 CO -0.01 0.06 -0.12 0.28 -1.05 0.00 0.00 178.16 177.33 1a8r h VAL 71 N 0.08 0.41 0.00 -2.88 2.07 -1.38 -3.30 116.25 111.24 1a8r h VAL 71 Ca 0.02 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1a8r h VAL 71 Cb -0.00 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1a8r h VAL 71 CO -0.01 0.11 -0.57 0.44 0.02 0.00 0.00 177.57 177.57 1a8r h ASP 72 N -1.00 0.00 0.00 0.57 3.32 -0.94 -3.40 116.42 114.96 1a8r h ASP 72 Ca -0.03 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1a8r h ASP 72 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1a8r h ASP 72 CO 0.06 0.09 0.00 -0.62 -1.72 0.00 0.00 179.24 177.05 1a8r n GLU 73 N -2.16 0.00 0.25 3.56 1.02 0.22 -4.71 120.64 118.82 1a8r n GLU 73 Ca 0.03 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.24 1a8r n GLU 73 Cb 0.44 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 32.22 1a8r n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1a8r h ILE 74 N 0.00 0.00 -0.07 -3.67 3.07 -1.56 0.22 117.51 115.50 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 0.29 0.00 0.00 -0.27 0.00 0.00 36.82 36.84 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 -2.33 0.16 0.32 0.16 3.72 -1.24 -2.49 117.46 115.75 1a8r n PHE 75 Ca -0.01 -0.71 0.16 0.00 -0.05 0.00 0.00 57.45 56.85 1a8r n PHE 75 Cb 0.55 -0.11 0.85 0.00 -0.94 0.00 0.00 39.48 39.83 1a8r n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a8r h SER 76 N 0.45 0.00 0.82 4.37 4.64 -0.95 -0.42 113.55 122.46 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 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 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 -1.23 -1.30 0.16 -0.77 0.00 -0.24 -2.40 105.19 99.41 1a8r n GLY 77 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -8.50 0.99 3.38 -1.19 -3.41 115.31 106.58 1a8r h LEU 78 Ca 0.00 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.28 1a8r h LEU 78 Cb 0.41 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.97 1a8r h LEU 78 CO 0.00 0.49 -0.14 -0.62 0.09 0.00 0.00 178.44 178.26 1a8r s ASP 79 N -6.62 6.21 0.00 -0.43 2.15 -1.01 -4.93 116.67 112.04 1a8r s ASP 79 Ca -0.00 -0.74 0.03 0.00 0.43 0.00 0.00 52.55 52.27 1a8r s ASP 79 Cb 0.12 -2.24 0.21 0.00 -0.30 0.00 0.00 42.92 40.70 1a8r s ASP 79 CO 0.72 -0.66 0.72 -1.22 -0.17 0.00 0.00 175.17 174.56 1a8r n TYR 80 N 5.73 0.00 0.32 -5.34 4.02 -1.26 -0.63 117.16 119.99 1a8r n TYR 80 Ca -0.07 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.96 1a8r n TYR 80 Cb 0.47 -0.03 0.41 0.00 -0.02 0.00 0.00 39.34 40.17 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 2.21 1.00 -0.66 -0.72 0.00 -1.92 -2.58 119.26 116.59 1a8r h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a8r h ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a8r h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1a8r n ASN 82 N -2.89 3.96 -4.75 0.00 3.02 0.20 -4.96 115.26 109.85 1a8r n ASN 82 Ca 0.03 -2.15 -0.41 0.00 -0.03 0.00 0.00 54.58 52.02 1a8r n ASN 82 Cb 0.41 -0.50 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.35 3.08 0.52 3.10 5.36 -0.98 -4.95 117.98 122.77 1a8r s PHE 83 Ca 0.47 1.25 -0.23 0.00 -0.96 0.00 0.00 56.93 57.46 1a8r s PHE 83 Cb 0.26 -3.71 -0.06 0.00 -0.34 0.00 0.00 43.02 39.18 1a8r s PHE 83 CO 0.28 -2.13 1.38 -1.25 -1.46 0.00 0.00 175.22 172.04 1a8r s PRO 84 N -0.97 3.29 -0.21 10.12 0.04 -1.26 -4.94 135.00 141.06 1a8r s PRO 84 Ca 0.54 2.28 -0.29 0.00 0.04 0.00 0.00 61.00 63.57 1a8r s PRO 84 Cb -0.40 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 1a8r s PRO 84 CO 0.47 -1.09 1.33 0.15 0.04 0.00 0.00 177.00 177.90 1a8r s LYS 85 N -2.79 4.08 -0.06 4.56 1.02 -1.26 -4.94 119.74 120.35 1a8r s LYS 85 Ca 0.69 1.55 -0.20 0.00 0.02 0.00 0.00 55.97 58.03 1a8r s LYS 85 Cb -0.41 -3.84 -0.05 0.00 -0.52 0.00 0.00 37.83 33.01 1a8r s LYS 85 CO 0.50 -0.91 0.55 0.42 -0.92 0.00 0.00 175.35 174.99 1a8r s ILE 86 N 3.99 5.06 -0.01 2.17 -1.09 -1.26 -4.94 121.20 125.12 1a8r s ILE 86 Ca 0.58 1.13 0.05 0.00 -2.23 0.00 0.00 60.65 60.18 1a8r s ILE 86 Cb -0.21 -3.89 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1a8r s ILE 86 CO 0.20 0.36 -0.16 0.42 -1.23 0.00 0.00 174.94 174.52 1a8r s THR 87 N 0.28 1.27 0.09 2.92 -4.23 -1.26 -5.09 115.64 109.63 1a8r s THR 87 Ca 0.30 -0.69 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 1a8r s THR 87 Cb -0.17 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 1a8r s THR 87 CO 0.14 0.36 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.76 1a8r s LEU 88 N -0.36 2.49 0.10 4.79 1.43 -1.26 -1.61 118.68 124.25 1a8r s LEU 88 Ca 0.06 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 1a8r s LEU 88 Cb -0.06 -0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.06 1a8r s LEU 88 CO -0.01 -0.45 -0.09 0.27 0.23 0.00 0.00 176.35 176.30 1a8r s ILE 89 N -3.45 0.91 0.16 -0.59 -4.36 0.39 -4.96 121.20 109.30 1a8r s ILE 89 Ca 0.10 -1.73 -0.32 0.00 -0.26 0.00 0.00 60.65 58.44 1a8r s ILE 89 Cb 0.04 -1.46 -0.10 0.00 1.25 0.00 0.00 42.46 42.19 1a8r s ILE 89 CO -0.05 -0.64 1.57 -0.70 0.24 0.00 0.00 174.94 175.37 1a8r s GLU 90 N -3.07 4.21 -0.82 0.37 2.12 -1.26 -0.53 118.70 119.71 1a8r s GLU 90 Ca 0.08 2.37 -0.06 0.00 0.36 0.00 0.00 54.97 57.71 1a8r s GLU 90 Cb -0.01 -3.16 -0.10 0.00 0.26 0.00 0.00 34.13 31.12 1a8r s GLU 90 CO -0.01 -0.61 2.50 -1.71 -0.54 0.00 0.00 175.26 174.89 1a8r n ASN 91 N 3.99 5.53 0.25 -1.70 5.15 0.44 -4.41 115.26 124.51 1a8r n ASN 91 Ca 0.14 -2.35 0.11 0.00 -0.60 0.00 0.00 54.58 51.88 1a8r n ASN 91 Cb 0.38 -1.19 0.63 0.00 -0.53 0.00 0.00 39.78 39.08 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 5.28 0.00 0.00 1.20 1.57 -1.89 -0.56 116.57 122.17 1a8r h LYS 92 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1a8r h LYS 92 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1a8r h LYS 92 CO 1.20 0.17 0.00 0.52 -0.57 0.00 0.00 179.45 180.76 1a8r h MET 93 N 0.00 0.00 -5.91 3.15 2.86 -1.99 -3.46 114.93 109.58 1a8r h MET 93 Ca -0.00 0.00 -0.40 0.00 -2.06 0.00 0.00 59.70 57.24 1a8r h MET 93 Cb 0.42 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.19 1a8r h MET 93 CO 0.02 0.00 -0.72 1.63 1.06 0.00 0.00 176.91 178.90 1a8r n LYS 94 N -2.88 -7.11 -2.45 1.72 5.02 -0.22 -4.92 118.16 107.31 1a8r n LYS 94 Ca -0.01 0.78 -0.43 0.00 -2.02 0.00 0.00 58.31 56.63 1a8r n LYS 94 Cb 0.17 -5.77 -0.02 0.00 -0.02 0.00 0.00 35.03 29.39 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 -3.35 4.28 -0.18 -0.18 1.01 -1.26 -4.88 120.40 115.84 1a8r s VAL 95 Ca 0.46 1.58 0.15 0.00 0.00 0.00 0.00 61.98 64.17 1a8r s VAL 95 Cb -0.21 -4.02 0.44 0.00 0.00 0.00 0.00 36.38 32.59 1a8r s VAL 95 CO 0.75 -0.07 1.19 -0.90 0.00 0.00 0.00 175.10 176.07 1a8r n ASP 96 N 5.89 2.16 -4.25 3.32 5.75 -1.26 -4.25 116.55 123.91 1a8r n ASP 96 Ca 0.12 -3.22 -0.20 0.00 -0.01 0.00 0.00 54.79 51.48 1a8r n ASP 96 Cb 0.46 -0.43 -0.12 0.00 -1.03 0.00 0.00 41.12 40.00 1a8r n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1a8r s GLU 97 N -2.59 1.04 0.43 0.11 0.41 -1.26 -4.96 118.70 111.87 1a8r s GLU 97 Ca 0.38 -1.18 -0.24 0.00 -0.41 0.00 0.00 54.97 53.53 1a8r s GLU 97 Cb 0.38 -1.08 -0.08 0.00 -1.78 0.00 0.00 34.13 31.57 1a8r s GLU 97 CO -0.07 0.23 1.16 0.00 -0.49 0.00 0.00 175.26 176.09 1a8r s MET 98 N -2.27 3.92 -0.19 1.61 0.23 -1.26 -4.22 119.30 117.13 1a8r s MET 98 Ca 0.07 1.78 -0.04 0.00 -1.03 0.00 0.00 55.69 56.47 1a8r s MET 98 Cb -0.08 -2.53 -0.02 0.00 -1.53 0.00 0.00 34.83 30.67 1a8r s MET 98 CO 0.04 -0.42 -0.03 0.08 -2.03 0.00 0.00 175.02 172.66 1a8r s VAL 99 N -1.50 3.72 -0.13 5.16 1.01 -0.03 -4.91 120.40 123.72 1a8r s VAL 99 Ca 0.60 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1a8r s VAL 99 Cb -0.29 -2.66 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1a8r s VAL 99 CO 0.36 0.45 -0.17 -0.89 0.00 0.00 0.00 175.10 174.84 1a8r s THR 100 N 0.90 2.55 -0.27 3.92 2.01 -1.26 -1.99 115.64 121.51 1a8r s THR 100 Ca -0.00 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 1a8r s THR 100 Cb -0.14 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.33 1a8r s THR 100 CO 0.01 0.53 0.01 -0.69 -0.69 0.00 0.00 174.62 173.80 1a8r s VAL 101 N 0.59 3.51 0.36 3.82 1.01 0.81 -4.98 120.40 125.52 1a8r s VAL 101 Ca -0.10 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1a8r s VAL 101 Cb -0.16 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1a8r s VAL 101 CO 0.03 0.18 0.28 0.00 0.00 0.00 0.00 175.10 175.59 1a8r s ARG 102 N 1.44 2.60 -1.48 2.72 1.70 -1.26 -0.79 118.95 123.89 1a8r s ARG 102 Ca 0.02 -1.41 -0.06 0.00 -0.47 0.00 0.00 55.73 53.81 1a8r s ARG 102 Cb -0.16 -2.39 0.05 0.00 -0.57 0.00 0.00 34.95 31.88 1a8r s ARG 102 CO -0.01 0.03 0.64 -0.25 -1.08 0.00 0.00 175.30 174.63 1a8r n ASP 103 N -1.37 -1.84 -4.71 -2.89 8.00 -1.03 -4.93 116.55 107.79 1a8r n ASP 103 Ca -0.01 -0.94 -0.42 0.00 0.71 0.00 0.00 54.79 54.13 1a8r n ASP 103 Cb 0.61 -3.28 -0.03 0.00 -0.02 0.00 0.00 41.12 38.40 1a8r n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a8r s ILE 104 N -3.66 4.51 0.16 0.53 1.01 0.15 -4.82 121.20 119.08 1a8r s ILE 104 Ca 0.28 1.80 -0.32 0.00 0.00 0.00 0.00 60.65 62.41 1a8r s ILE 104 Cb -0.15 -4.16 -0.10 0.00 0.01 0.00 0.00 42.46 38.07 1a8r s ILE 104 CO 0.88 0.11 1.63 -0.89 0.00 0.00 0.00 174.94 176.66 1a8r s THR 105 N 1.30 2.55 -0.11 2.92 2.01 -1.26 -0.92 115.64 122.12 1a8r s THR 105 Ca 0.54 0.34 -0.02 0.00 0.31 0.00 0.00 61.69 62.87 1a8r s THR 105 Cb -0.24 -3.22 0.04 0.00 0.01 0.00 0.00 72.50 69.09 1a8r s THR 105 CO 0.26 0.02 0.00 -0.22 -0.69 0.00 0.00 174.62 174.00 1a8r s LEU 106 N 1.43 0.79 -0.23 4.42 0.20 0.02 -4.76 118.68 120.55 1a8r s LEU 106 Ca 0.72 -0.30 0.01 0.00 0.69 0.00 0.00 54.13 55.25 1a8r s LEU 106 Cb -0.45 -0.51 0.04 0.00 -0.43 0.00 0.00 46.19 44.84 1a8r s LEU 106 CO 0.32 -0.22 -0.12 0.42 -0.29 0.00 0.00 176.35 176.46 1a8r s THR 107 N 1.92 2.37 0.19 3.68 -4.23 -1.26 -0.97 115.64 117.34 1a8r s THR 107 Ca 0.03 -1.22 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 1a8r s THR 107 Cb -0.14 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.48 1a8r s THR 107 CO -0.06 0.22 0.10 -0.24 -0.54 0.00 0.00 174.62 174.10 1a8r n SER 108 N 4.57 0.49 -3.87 3.99 2.88 -0.49 -4.15 113.62 117.04 1a8r n SER 108 Ca -0.17 -2.11 -0.20 0.00 -1.33 0.00 0.00 58.87 55.06 1a8r n SER 108 Cb 0.46 0.66 -0.16 0.00 -0.75 0.00 0.00 64.21 64.42 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 -2.48 0.46 0.13 2.46 2.01 -1.24 -0.36 115.64 116.62 1a8r s THR 109 Ca 0.15 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 1a8r s THR 109 Cb 0.01 -0.52 -0.07 0.00 0.01 0.00 0.00 72.50 71.93 1a8r s THR 109 CO 0.10 0.22 1.23 0.00 -0.69 0.00 0.00 174.62 175.48 1a8r n GLU 111 N 3.28 0.08 0.03 0.00 0.28 -0.15 0.05 120.64 124.22 1a8r n GLU 111 Ca 0.07 0.10 -0.18 0.00 -0.16 0.00 0.00 57.16 56.99 1a8r n GLU 111 Cb 0.45 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.74 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 0.86 0.00 -1.84 4.64 -1.91 -3.38 113.55 111.92 1a8r h SER 112 Ca 0.00 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 1a8r h SER 112 Cb 0.35 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1a8r h SER 112 CO 0.00 1.45 0.00 1.41 -0.87 0.00 0.00 176.83 178.82 1a8r n HIS 113 N -3.86 0.00 -3.76 4.77 8.25 -1.21 -5.02 115.22 114.40 1a8r n HIS 113 Ca -0.09 -0.05 -0.27 0.00 -0.26 0.00 0.00 57.72 57.05 1a8r n HIS 113 Cb 0.84 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.99 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 -0.05 -2.52 -4.28 4.41 3.01 0.11 -4.99 117.46 113.15 1a8r n PHE 114 Ca 0.00 0.95 -0.25 0.00 1.01 0.00 0.00 57.45 59.16 1a8r n PHE 114 Cb 0.14 -4.48 -0.08 0.00 -0.01 0.00 0.00 39.48 35.06 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 -3.33 3.39 0.22 -4.37 1.01 -1.22 -4.85 120.40 111.25 1a8r s VAL 115 Ca 0.57 -1.77 -0.32 0.00 0.00 0.00 0.00 61.98 60.46 1a8r s VAL 115 Cb -0.27 -2.76 -0.13 0.00 0.00 0.00 0.00 36.38 33.22 1a8r s VAL 115 CO 0.79 -0.26 1.51 0.41 0.00 0.00 0.00 175.10 177.54 1a8r n THR 116 N -0.49 0.61 -4.14 3.92 -1.04 -1.26 -0.24 114.28 111.63 1a8r n THR 116 Ca -0.08 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.05 61.45 1a8r n THR 116 Cb 0.57 -1.59 -0.16 0.00 -1.82 0.00 0.00 70.33 67.33 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 0.32 2.07 -0.23 12.58 1.01 0.51 -1.08 121.20 136.38 1a8r s ILE 117 Ca 0.71 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 60.39 1a8r s ILE 117 Cb -0.63 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 1a8r s ILE 117 CO 0.45 0.54 -0.04 -0.62 0.00 0.00 0.00 174.94 175.27 1a8r s ASP 118 N 1.27 4.36 0.33 3.58 2.15 0.12 -1.40 116.67 127.08 1a8r s ASP 118 Ca 0.04 -0.51 -0.06 0.00 0.43 0.00 0.00 52.55 52.45 1a8r s ASP 118 Cb -0.13 -1.73 0.02 0.00 -0.30 0.00 0.00 42.92 40.78 1a8r s ASP 118 CO -0.12 -0.06 0.54 0.61 -0.17 0.00 0.00 175.17 175.97 1a8r n GLY 119 N 4.78 1.79 2.96 2.66 0.00 -0.15 -0.02 105.19 117.22 1a8r n GLY 119 Ca -0.18 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.49 0.55 0.13 1.61 1.02 0.40 -0.80 119.74 120.17 1a8r s LYS 120 Ca 0.22 -0.21 0.07 0.00 0.02 0.00 0.00 55.97 56.07 1a8r s LYS 120 Cb -0.02 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 36.71 1a8r s LYS 120 CO 0.16 0.11 -0.05 0.00 -0.92 0.00 0.00 175.35 174.65 1a8r s ALA 121 N -0.00 3.10 -0.09 5.17 0.00 -0.10 -0.60 121.76 129.23 1a8r s ALA 121 Ca 0.01 -1.28 -0.00 0.00 0.00 0.00 0.00 51.96 50.68 1a8r s ALA 121 Cb -0.04 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.14 1a8r s ALA 121 CO -0.00 0.59 -0.06 0.99 0.00 0.00 0.00 175.76 177.27 1a8r s THR 122 N -1.45 0.84 -0.07 0.00 2.01 0.92 -0.67 115.64 117.22 1a8r s THR 122 Ca 0.25 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1a8r s THR 122 Cb -0.10 -0.88 -0.00 0.00 0.01 0.00 0.00 72.50 71.53 1a8r s THR 122 CO 0.16 0.33 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.53 1a8r s VAL 123 N 1.58 1.73 0.05 3.82 1.01 0.03 -0.88 120.40 127.74 1a8r s VAL 123 Ca 0.01 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1a8r s VAL 123 Cb -0.13 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1a8r s VAL 123 CO -0.05 0.49 -0.10 0.00 0.00 0.00 0.00 175.10 175.44 1a8r s ALA 124 N 0.22 0.75 -0.05 5.51 0.00 -0.49 -0.13 121.76 127.56 1a8r s ALA 124 Ca -0.11 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 1a8r s ALA 124 Cb -0.15 -0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.03 1a8r s ALA 124 CO 0.05 0.04 0.65 1.52 0.00 0.00 0.00 175.76 178.02 1a8r s TYR 125 N -1.30 -0.62 -0.36 0.00 1.13 -0.84 -0.24 117.35 115.11 1a8r s TYR 125 Ca -0.07 1.08 -0.13 0.00 -1.41 0.00 0.00 57.07 56.53 1a8r s TYR 125 Cb -0.10 0.38 -0.00 0.00 -1.10 0.00 0.00 41.96 41.14 1a8r s TYR 125 CO 0.01 -0.58 0.26 0.42 -2.51 0.00 0.00 175.55 173.14 1a8r s ILE 126 N -1.16 5.21 0.29 -3.49 1.01 -0.76 -0.85 121.20 121.46 1a8r s ILE 126 Ca -0.11 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 1a8r s ILE 126 Cb -0.01 -3.76 -0.12 0.00 0.01 0.00 0.00 42.46 38.58 1a8r s ILE 126 CO 0.09 -0.12 1.52 -2.65 0.00 0.00 0.00 174.94 173.78 1a8r n PRO 127 N 5.11 2.49 0.00 2.79 -0.02 -1.26 -4.84 135.00 139.27 1a8r n PRO 127 Ca -0.12 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1a8r n PRO 127 Cb 0.49 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1a8r n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1a8r n LYS 128 N 1.91 0.00 -0.01 -0.52 4.81 -1.26 -4.59 118.16 118.50 1a8r n LYS 128 Ca 0.09 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.47 1a8r n LYS 128 Cb 0.35 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.28 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 0.74 -4.27 3.14 8.00 -1.26 -4.81 116.55 118.10 1a8r n ASP 129 Ca 0.00 0.34 -0.16 0.00 0.71 0.00 0.00 54.79 55.68 1a8r n ASP 129 Cb 0.00 0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.18 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 -5.87 2.04 -0.16 -2.24 1.04 -1.26 -0.42 113.70 106.83 1a8r s SER 130 Ca -0.05 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 1a8r s SER 130 Cb 0.08 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 1a8r s SER 130 CO 0.82 -0.23 -0.09 -0.69 0.98 0.00 0.00 173.24 174.03 1a8r s VAL 131 N -2.84 3.26 0.41 5.02 1.01 0.31 -4.74 120.40 122.84 1a8r s VAL 131 Ca 0.15 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1a8r s VAL 131 Cb -0.01 -2.41 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 1a8r s VAL 131 CO 0.03 0.50 0.80 -0.51 0.00 0.00 0.00 175.10 175.91 1a8r s ILE 132 N 0.63 4.74 0.26 2.22 2.07 -1.26 -0.46 121.20 129.39 1a8r s ILE 132 Ca -0.05 0.74 -0.30 0.00 -1.41 0.00 0.00 60.65 59.62 1a8r s ILE 132 Cb -0.15 -3.72 -0.10 0.00 0.13 0.00 0.00 42.46 38.62 1a8r s ILE 132 CO 0.03 -0.50 1.46 -0.83 -1.91 0.00 0.00 174.94 173.19 1a8r s GLY 133 N -3.04 2.31 0.15 1.50 0.00 -0.64 -4.91 107.32 102.68 1a8r s GLY 133 Ca 0.53 1.37 -0.20 0.00 0.00 0.00 0.00 44.72 46.42 1a8r s GLY 133 CO 0.30 2.32 1.66 1.41 0.00 0.00 0.00 173.10 178.79 1a8r h LEU 134 N 4.94 -0.47 -1.78 0.66 3.38 -1.95 -2.32 115.31 117.77 1a8r h LEU 134 Ca -0.46 0.11 0.11 0.00 0.09 0.00 0.00 57.88 57.72 1a8r h LEU 134 Cb 1.22 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1a8r h LEU 134 CO 0.78 -0.18 0.37 0.77 0.09 0.00 0.00 178.44 180.26 1a8r h SER 135 N -0.12 0.22 -0.52 -0.43 4.64 -2.00 -0.77 113.55 114.57 1a8r h SER 135 Ca 0.14 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.54 1a8r h SER 135 Cb 0.32 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1a8r h SER 135 CO -0.33 0.13 0.35 0.11 -0.87 0.00 0.00 176.83 176.23 1a8r h LYS 136 N 0.24 0.38 -0.56 4.77 1.79 -1.78 0.29 116.57 121.70 1a8r h LYS 136 Ca 0.25 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.59 1a8r h LYS 136 Cb 0.66 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1a8r h LYS 136 CO -0.05 0.25 -0.07 0.82 -1.08 0.00 0.00 179.45 179.32 1a8r h ILE 137 N 0.39 1.27 0.08 1.86 2.04 -1.20 -0.82 117.51 121.13 1a8r h ILE 137 Ca 0.23 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1a8r h ILE 137 Cb 0.42 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1a8r h ILE 137 CO -0.06 0.44 -0.04 0.78 0.00 0.00 0.00 178.15 179.27 1a8r h ASN 138 N 0.93 -0.09 -0.90 1.72 2.35 -1.10 -1.88 115.58 116.60 1a8r h ASN 138 Ca 0.15 -0.23 0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1a8r h ASN 138 Cb 0.63 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.97 1a8r h ASN 138 CO 0.04 0.18 0.59 0.03 -1.65 0.00 0.00 177.43 176.62 1a8r h ARG 139 N -0.37 1.06 -0.16 0.81 3.08 -0.91 -0.31 114.38 117.57 1a8r h ARG 139 Ca -0.01 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1a8r h ARG 139 Cb 0.32 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1a8r h ARG 139 CO 0.02 0.70 -0.03 0.82 -1.07 0.00 0.00 179.97 180.40 1a8r h ILE 140 N 1.09 1.28 -0.20 2.04 2.04 -1.07 0.18 117.51 122.87 1a8r h ILE 140 Ca 0.37 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.29 1a8r h ILE 140 Cb 0.10 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1a8r h ILE 140 CO -0.12 0.29 -0.04 0.58 0.00 0.00 0.00 178.15 178.86 1a8r h VAL 141 N 0.02 0.82 -0.43 1.67 2.07 -0.70 -1.76 116.25 117.94 1a8r h VAL 141 Ca 0.04 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1a8r h VAL 141 Cb 0.46 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1a8r h VAL 141 CO 0.02 0.00 0.04 1.56 0.02 0.00 0.00 177.57 179.21 1a8r h GLN 142 N 0.02 0.67 0.07 1.57 1.08 -0.99 -1.64 115.11 115.88 1a8r h GLN 142 Ca 0.09 -0.15 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1a8r h GLN 142 Cb 0.14 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.44 1a8r h GLN 142 CO -0.19 0.65 -0.24 0.35 -0.95 0.00 0.00 178.83 178.45 1a8r h PHE 143 N 0.64 -0.64 0.00 2.96 3.57 0.25 -0.27 116.94 123.45 1a8r h PHE 143 Ca 0.14 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1a8r h PHE 143 Cb 0.34 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1a8r h PHE 143 CO 0.02 -0.33 -0.22 0.74 -2.23 0.00 0.00 178.31 176.28 1a8r h PHE 144 N -0.41 0.00 -0.22 0.41 0.04 -1.35 -3.12 116.94 112.29 1a8r h PHE 144 Ca 0.04 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.62 1a8r h PHE 144 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1a8r h PHE 144 CO -0.24 0.22 -0.62 0.00 -0.60 0.00 0.00 178.31 177.07 1a8r h ALA 145 N 1.78 0.50 0.00 2.45 0.00 -0.33 -3.35 119.26 120.32 1a8r h ALA 145 Ca -0.00 -0.54 -0.65 0.00 0.00 0.00 0.00 54.91 53.71 1a8r h ALA 145 Cb 0.67 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1a8r h ALA 145 CO 0.03 0.69 2.71 1.04 0.00 0.00 0.00 179.25 183.72 1a8r n GLN 146 N -3.96 2.15 -3.48 0.00 1.13 -0.20 -4.20 117.38 108.81 1a8r n GLN 146 Ca -0.05 -2.11 -0.10 0.00 -1.94 0.00 0.00 57.00 52.81 1a8r n GLN 146 Cb 0.66 -3.01 -0.02 0.00 0.11 0.00 0.00 30.24 27.98 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 4.08 1.02 0.07 -1.09 0.52 -1.04 -1.08 118.95 121.43 1a8r s ARG 147 Ca 0.53 -0.38 -0.31 0.00 -0.52 0.00 0.00 55.73 55.05 1a8r s ARG 147 Cb 0.14 0.46 -0.08 0.00 0.52 0.00 0.00 34.95 36.00 1a8r s ARG 147 CO 0.02 -0.45 1.53 -2.14 0.02 0.00 0.00 175.30 174.28 1a8r s PRO 148 N -3.38 4.24 0.28 3.54 0.02 -1.26 -3.69 135.00 134.75 1a8r s PRO 148 Ca 0.04 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.27 1a8r s PRO 148 Cb -0.01 -3.47 -0.05 0.00 0.02 0.00 0.00 34.50 30.98 1a8r s PRO 148 CO -0.10 -0.62 0.08 -0.65 -0.33 0.00 0.00 177.00 175.38 1a8r s GLN 149 N 2.10 1.48 -0.13 5.54 -1.52 0.13 -4.71 119.66 122.56 1a8r s GLN 149 Ca 0.69 -1.80 -0.01 0.00 -1.95 0.00 0.00 55.36 52.29 1a8r s GLN 149 Cb -0.38 -0.44 0.04 0.00 -0.22 0.00 0.00 33.01 32.01 1a8r s GLN 149 CO 0.30 -0.26 -0.03 0.08 -0.25 0.00 0.00 175.29 175.13 1a8r s VAL 150 N -3.62 0.78 0.27 1.09 1.01 -1.26 -0.97 120.40 117.71 1a8r s VAL 150 Ca 0.37 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1a8r s VAL 150 Cb 0.08 -0.97 0.27 0.00 0.00 0.00 0.00 36.38 35.76 1a8r s VAL 150 CO 0.14 0.17 1.70 -0.61 0.00 0.00 0.00 175.10 176.50 1a8r h GLN 151 N 8.21 0.36 -0.61 2.72 4.15 -1.98 -0.49 115.11 127.47 1a8r h GLN 151 Ca -0.23 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.21 1a8r h GLN 151 Cb 1.12 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.68 1a8r h GLN 151 CO 0.35 0.24 0.35 0.93 -1.93 0.00 0.00 178.83 178.76 1a8r h GLU 152 N 0.37 0.64 -0.30 1.69 3.07 -1.99 -1.13 114.58 116.93 1a8r h GLU 152 Ca 0.51 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.24 1a8r h GLU 152 Cb 0.92 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1a8r h GLU 152 CO -0.52 0.42 -0.16 -0.09 -1.40 0.00 0.00 179.01 177.26 1a8r h ARG 153 N 0.66 0.64 -0.75 2.33 2.43 -1.65 -2.99 114.38 115.05 1a8r h ARG 153 Ca 0.26 -0.29 0.15 0.00 -0.81 0.00 0.00 59.98 59.29 1a8r h ARG 153 Cb 0.11 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.55 1a8r h ARG 153 CO -0.15 0.87 0.28 1.25 -1.51 0.00 0.00 179.97 180.72 1a8r h LEU 154 N 0.39 0.23 -0.19 3.80 5.85 -0.50 -0.41 115.31 124.47 1a8r h LEU 154 Ca 0.06 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1a8r h LEU 154 Cb 0.70 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1a8r h LEU 154 CO 0.05 0.07 0.08 0.74 -0.34 0.00 0.00 178.44 179.04 1a8r h THR 155 N 0.41 1.15 0.04 1.05 2.02 -1.18 -2.59 112.91 113.81 1a8r h THR 155 Ca 0.42 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1a8r h THR 155 Cb 0.65 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1a8r h THR 155 CO -0.42 0.15 -0.16 1.56 0.37 0.00 0.00 175.52 177.01 1a8r h GLN 156 N 0.16 -0.28 -0.69 6.66 1.08 -1.15 -2.21 115.11 118.67 1a8r h GLN 156 Ca 0.06 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.39 1a8r h GLN 156 Cb 0.16 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.57 1a8r h GLN 156 CO -0.01 -0.19 0.30 1.96 -0.95 0.00 0.00 178.83 179.94 1a8r h GLN 157 N -0.29 0.48 -0.29 1.46 4.20 -1.07 -0.97 115.11 118.63 1a8r h GLN 157 Ca 0.04 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1a8r h GLN 157 Cb 0.34 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1a8r h GLN 157 CO -0.12 0.31 0.07 0.82 -0.67 0.00 0.00 178.83 179.24 1a8r h ILE 158 N 0.49 1.21 0.40 2.54 2.04 -1.31 -1.09 117.51 121.80 1a8r h ILE 158 Ca 0.36 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1a8r h ILE 158 Cb 0.45 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1a8r h ILE 158 CO -0.32 0.23 -0.44 0.25 0.00 0.00 0.00 178.15 177.87 1a8r h LEU 159 N 0.30 -1.22 -0.33 1.44 5.85 -0.73 -0.14 115.31 120.49 1a8r h LEU 159 Ca 0.09 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1a8r h LEU 159 Cb 0.28 0.41 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 1a8r h LEU 159 CO 0.00 -0.57 -0.16 0.40 -0.34 0.00 0.00 178.44 177.77 1a8r h ILE 160 N -0.85 0.51 -0.40 4.05 1.08 -1.22 0.61 117.51 121.29 1a8r h ILE 160 Ca -0.05 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.50 1a8r h ILE 160 Cb 0.74 0.51 -0.08 0.00 -3.07 0.00 0.00 36.82 34.93 1a8r h ILE 160 CO -0.07 0.00 -0.15 0.00 -0.69 0.00 0.00 178.15 177.24 1a8r h ALA 161 N 1.14 0.19 -0.43 1.87 0.00 -1.02 -0.01 119.26 121.00 1a8r h ALA 161 Ca 0.17 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1a8r h ALA 161 Cb 0.36 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1a8r h ALA 161 CO -0.40 -0.50 0.13 -0.07 0.00 0.00 0.00 179.25 178.41 1a8r h LEU 162 N -0.06 0.63 -0.21 0.00 3.38 -0.04 -1.26 115.31 117.74 1a8r h LEU 162 Ca 0.20 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1a8r h LEU 162 Cb 0.36 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1a8r h LEU 162 CO -0.45 0.67 -0.07 1.56 0.09 0.00 0.00 178.44 180.24 1a8r h GLN 163 N 0.56 -0.03 0.09 1.13 4.20 -0.30 0.21 115.11 120.97 1a8r h GLN 163 Ca 0.14 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1a8r h GLN 163 Cb 0.27 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1a8r h GLN 163 CO -0.00 -0.02 -0.44 1.15 -0.67 0.00 0.00 178.83 178.85 1a8r h THR 164 N -0.03 0.00 -0.64 -0.54 2.02 -0.76 0.53 112.91 113.49 1a8r h THR 164 Ca 0.11 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.33 1a8r h THR 164 Cb 0.19 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 1a8r h THR 164 CO -0.23 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 176.01 1a8r h LEU 165 N -0.61 0.60 0.00 2.58 3.38 -0.93 -2.40 115.31 117.93 1a8r h LEU 165 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1a8r h LEU 165 Cb 0.62 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1a8r h LEU 165 CO -0.24 0.40 -0.62 -0.07 0.09 0.00 0.00 178.44 178.00 1a8r h LEU 166 N 0.69 0.00 -0.34 1.67 3.38 -0.00 -3.48 115.31 117.23 1a8r h LEU 166 Ca 0.27 -0.14 -0.28 0.00 0.09 0.00 0.00 57.88 57.82 1a8r h LEU 166 Cb 0.18 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.01 1a8r h LEU 166 CO -0.08 0.07 -0.46 0.61 0.09 0.00 0.00 178.44 178.67 1a8r n GLY 167 N 1.28 -0.13 3.32 0.83 0.00 0.18 -4.74 105.19 105.94 1a8r n GLY 167 Ca 0.03 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.14 0.03 -1.40 2.61 2.01 -1.05 -4.92 115.64 109.79 1a8r s THR 168 Ca 0.34 -0.22 0.24 0.00 0.31 0.00 0.00 61.69 62.35 1a8r s THR 168 Cb -0.15 -0.68 0.03 0.00 0.01 0.00 0.00 72.50 71.71 1a8r s THR 168 CO 0.42 -0.12 1.30 0.59 -0.69 0.00 0.00 174.62 176.11 1a8r n ASN 169 N 1.77 1.02 -4.14 3.53 3.02 -1.26 -4.29 115.26 114.90 1a8r n ASN 169 Ca -0.18 -0.81 -0.42 0.00 -0.03 0.00 0.00 54.58 53.13 1a8r n ASN 169 Cb 0.56 0.41 -0.00 0.00 -0.61 0.00 0.00 39.78 40.15 1a8r n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a8r n ASN 170 N -1.00 4.35 -4.05 6.41 3.02 -1.26 -0.04 115.26 122.69 1a8r n ASN 170 Ca 0.08 -2.87 -0.12 0.00 -0.03 0.00 0.00 54.58 51.64 1a8r n ASN 170 Cb 0.36 -1.70 -0.11 0.00 -0.61 0.00 0.00 39.78 37.72 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 3.79 0.44 -0.03 2.41 1.01 -1.23 -1.83 120.40 124.96 1a8r s VAL 171 Ca 0.51 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1a8r s VAL 171 Cb 0.09 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1a8r s VAL 171 CO -0.00 -0.47 0.07 0.00 0.00 0.00 0.00 175.10 174.70 1a8r s ALA 172 N -1.65 -0.12 -0.05 5.51 0.00 0.67 -0.43 121.76 125.69 1a8r s ALA 172 Ca -0.09 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.19 1a8r s ALA 172 Cb -0.08 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1a8r s ALA 172 CO -0.01 -0.07 -0.08 0.08 0.00 0.00 0.00 175.76 175.68 1a8r s VAL 173 N 0.48 0.80 -0.02 0.00 1.01 -0.24 -1.40 120.40 121.02 1a8r s VAL 173 Ca -0.04 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1a8r s VAL 173 Cb -0.05 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1a8r s VAL 173 CO -0.02 0.28 -0.07 -0.55 0.00 0.00 0.00 175.10 174.73 1a8r s SER 174 N 0.68 1.02 -0.05 3.32 0.15 -0.06 -0.29 113.70 118.47 1a8r s SER 174 Ca -0.11 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.41 1a8r s SER 174 Cb -0.14 -0.27 0.01 0.00 -1.71 0.00 0.00 66.02 63.91 1a8r s SER 174 CO 0.02 0.05 -0.12 -0.63 1.20 0.00 0.00 173.24 173.75 1a8r s ILE 175 N 0.21 1.09 -0.12 6.45 1.01 0.06 -0.05 121.20 129.84 1a8r s ILE 175 Ca -0.03 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1a8r s ILE 175 Cb -0.08 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.42 1a8r s ILE 175 CO 0.00 0.33 -0.21 -0.62 0.00 0.00 0.00 174.94 174.45 1a8r s ASP 176 N 0.40 3.29 0.08 3.58 -1.08 0.23 -1.37 116.67 121.79 1a8r s ASP 176 Ca -0.09 -0.53 -0.12 0.00 -0.52 0.00 0.00 52.55 51.29 1a8r s ASP 176 Cb -0.13 -1.47 0.01 0.00 -1.46 0.00 0.00 42.92 39.88 1a8r s ASP 176 CO 0.02 0.12 0.27 0.00 0.52 0.00 0.00 175.17 176.11 1a8r s ALA 177 N 0.56 -0.52 -0.15 3.66 0.00 0.17 -0.45 121.76 125.03 1a8r s ALA 177 Ca -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 1a8r s ALA 177 Cb -0.17 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1a8r s ALA 177 CO 0.04 -0.50 -0.10 0.08 0.00 0.00 0.00 175.76 175.28 1a8r s VAL 178 N -3.36 3.26 -0.30 0.00 1.01 0.97 -0.53 120.40 121.46 1a8r s VAL 178 Ca 0.01 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1a8r s VAL 178 Cb 0.02 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1a8r s VAL 178 CO -0.08 0.50 0.16 -1.00 0.00 0.00 0.00 175.10 174.68 1a8r s HIS 179 N 0.56 3.18 -0.53 5.22 3.76 -1.26 -0.70 115.29 125.52 1a8r s HIS 179 Ca -0.06 -0.30 0.21 0.00 -0.15 0.00 0.00 55.06 54.76 1a8r s HIS 179 Cb -0.15 -2.36 0.92 0.00 1.11 0.00 0.00 32.58 32.10 1a8r s HIS 179 CO 0.03 -0.34 1.64 0.66 -0.85 0.00 0.00 174.74 175.88 1a8r n TYR 180 N 5.01 0.65 0.91 1.40 4.02 -0.24 -1.26 117.16 127.66 1a8r n TYR 180 Ca -0.14 0.27 0.12 0.00 -0.01 0.00 0.00 57.90 58.14 1a8r n TYR 180 Cb 0.50 -0.94 0.55 0.00 -0.02 0.00 0.00 39.34 39.44 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 1.13 -0.01 0.00 0.31 -0.39 -4.36 118.33 113.53 1a8r n VAL 182 Ca 0.07 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.88 1a8r n VAL 182 Cb 0.29 -1.30 -0.09 0.00 -0.91 0.00 0.00 33.84 31.82 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 -0.14 -0.07 -0.53 5.55 3.64 -1.14 0.42 116.57 124.30 1a8r h LYS 183 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1a8r h LYS 183 Cb 1.64 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1a8r h LYS 183 CO -0.12 0.54 0.00 0.00 -2.27 0.00 0.00 179.45 177.60 1a8r n ALA 184 N -2.55 3.68 -3.48 5.00 0.00 -0.16 -3.76 120.51 119.23 1a8r n ALA 184 Ca -0.08 -1.97 -0.10 0.00 0.00 0.00 0.00 53.44 51.30 1a8r n ALA 184 Cb 0.32 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 1a8r n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a8r s ARG 185 N -2.71 1.00 6.92 0.00 3.52 -1.23 -4.97 118.95 121.49 1a8r s ARG 185 Ca 0.52 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 1a8r s ARG 185 Cb 0.40 0.45 0.00 0.00 -1.56 0.00 0.00 34.95 34.24 1a8r s ARG 185 CO 0.15 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 174.62 1a8r n GLY 186 N -0.30 2.60 0.28 8.12 0.00 -1.26 -1.31 105.19 113.33 1a8r n GLY 186 Ca -0.11 0.19 0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 0.25 -6.31 -0.61 6.09 -1.85 -3.47 117.51 111.62 1a8r h ILE 187 Ca 0.00 -0.47 -0.45 0.00 -1.37 0.00 0.00 64.86 62.57 1a8r h ILE 187 Cb 0.00 1.37 0.05 0.00 0.47 0.00 0.00 36.82 38.71 1a8r h ILE 187 CO 0.00 0.06 -0.93 0.54 -3.07 0.00 0.00 178.15 174.75 1a8r n ARG 188 N -3.31 -1.70 -2.98 2.19 1.74 -0.42 -4.89 116.66 107.28 1a8r n ARG 188 Ca -0.01 0.43 -0.43 0.00 -0.77 0.00 0.00 57.85 57.07 1a8r n ARG 188 Cb 0.24 -4.15 -0.05 0.00 -1.02 0.00 0.00 32.46 27.48 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 -3.68 6.28 0.49 0.55 -1.08 0.02 -4.90 116.67 114.35 1a8r s ASP 189 Ca 0.37 -0.62 0.27 0.00 -0.52 0.00 0.00 52.55 52.05 1a8r s ASP 189 Cb -0.14 -2.37 1.13 0.00 -1.46 0.00 0.00 42.92 40.08 1a8r s ASP 189 CO 0.87 -1.09 1.91 0.00 0.52 0.00 0.00 175.17 177.38 1a8r h ALA 190 N 9.18 1.05 0.00 3.66 0.00 -1.86 -3.36 119.26 127.92 1a8r h ALA 190 Ca -0.27 -0.13 -0.35 0.00 0.00 0.00 0.00 54.91 54.16 1a8r h ALA 190 Cb 1.08 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1a8r h ALA 190 CO 1.04 0.18 -2.31 0.25 0.00 0.00 0.00 179.25 178.41 1a8r n THR 191 N -3.33 1.31 -1.63 0.00 -2.24 -1.26 -5.04 114.28 102.08 1a8r n THR 191 Ca -0.00 -0.81 -0.33 0.00 -2.27 0.00 0.00 64.05 60.64 1a8r n THR 191 Cb 0.37 -0.49 0.06 0.00 -2.10 0.00 0.00 70.33 68.16 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 -5.35 4.88 0.07 3.42 1.04 -1.26 -5.08 113.70 111.42 1a8r s SER 192 Ca -0.09 2.02 -0.08 0.00 0.48 0.00 0.00 55.95 58.28 1a8r s SER 192 Cb 0.06 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 1a8r s SER 192 CO 0.78 -1.78 0.16 0.00 0.98 0.00 0.00 173.24 173.37 1a8r s ALA 193 N -2.38 -0.16 -0.10 5.32 0.00 -1.26 -4.81 121.76 118.36 1a8r s ALA 193 Ca 0.67 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1a8r s ALA 193 Cb -0.21 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 1a8r s ALA 193 CO 0.44 -0.43 -0.15 0.99 0.00 0.00 0.00 175.76 176.60 1a8r s THR 194 N -3.38 2.88 -0.08 0.00 2.01 0.31 -4.94 115.64 112.43 1a8r s THR 194 Ca 0.01 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1a8r s THR 194 Cb 0.03 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1a8r s THR 194 CO -0.08 0.55 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.31 1a8r s THR 195 N 0.08 2.54 0.01 -0.82 2.01 -1.26 -0.65 115.64 117.55 1a8r s THR 195 Ca -0.06 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.09 1a8r s THR 195 Cb -0.15 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 1a8r s THR 195 CO 0.05 0.56 -0.09 0.42 -0.69 0.00 0.00 174.62 174.87 1a8r s THR 196 N -0.03 0.69 0.04 -0.82 -4.23 -0.47 -5.00 115.64 105.82 1a8r s THR 196 Ca -0.06 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 1a8r s THR 196 Cb -0.15 -0.63 -0.02 0.00 1.34 0.00 0.00 72.50 73.05 1a8r s THR 196 CO 0.05 0.01 -0.10 0.42 -0.54 0.00 0.00 174.62 174.46 1a8r s THR 197 N -0.59 0.74 -0.25 3.99 -4.23 -1.26 -0.76 115.64 113.29 1a8r s THR 197 Ca -0.00 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1a8r s THR 197 Cb -0.05 -0.73 0.08 0.00 1.34 0.00 0.00 72.50 73.14 1a8r s THR 197 CO 0.00 -0.17 0.05 -0.44 -0.54 0.00 0.00 174.62 173.51 1a8r s SER 198 N -1.23 3.58 -0.22 3.99 0.01 0.61 -4.97 113.70 115.46 1a8r s SER 198 Ca -0.04 -1.25 -0.09 0.00 1.31 0.00 0.00 55.95 55.89 1a8r s SER 198 Cb -0.08 -0.83 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 1a8r s SER 198 CO 0.01 -0.34 0.11 -0.76 0.41 0.00 0.00 173.24 172.67 1a8r s LEU 199 N 1.66 3.88 0.25 2.44 1.43 -1.26 -1.08 118.68 125.99 1a8r s LEU 199 Ca 0.03 0.04 0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1a8r s LEU 199 Cb -0.17 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1a8r s LEU 199 CO -0.15 0.08 -0.14 -0.83 0.23 0.00 0.00 176.35 175.54 1a8r s GLY 200 N 0.92 1.78 0.00 -3.19 0.00 0.43 -4.46 107.32 102.80 1a8r s GLY 200 Ca 0.05 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1a8r s GLY 200 CO 0.03 -1.79 0.00 0.61 0.00 0.00 0.00 173.10 171.95 1a8r n GLY 201 N -0.45 3.14 0.31 0.20 0.00 0.94 -1.53 105.19 107.79 1a8r n GLY 201 Ca -0.07 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.34 0.99 3.38 -1.93 0.19 115.31 116.59 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 -1.53 0.18 116.94 116.75 1a8r h PHE 203 Ca 0.05 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.66 1a8r h PHE 203 Cb 0.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1a8r h PHE 203 CO 0.00 0.28 -1.17 1.17 -0.60 0.00 0.00 178.31 177.99 1a8r n LYS 204 N -3.71 0.53 0.40 1.51 3.00 -0.08 -4.07 118.16 115.73 1a8r n LYS 204 Ca -0.01 0.47 -0.15 0.00 -0.00 0.00 0.00 58.31 58.61 1a8r n LYS 204 Cb 0.39 -1.65 -0.07 0.00 0.00 0.00 0.00 35.03 33.69 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 -0.86 -3.60 3.14 0.02 -0.70 -3.43 113.55 107.12 1a8r h SER 205 Ca -0.24 0.03 -0.57 0.00 -0.84 0.00 0.00 61.79 60.17 1a8r h SER 205 Cb 1.05 0.22 -0.07 0.00 0.14 0.00 0.00 62.40 63.73 1a8r h SER 205 CO -0.15 -0.59 0.86 -0.55 -1.14 0.00 0.00 176.83 175.26 1a8r s SER 206 N -3.63 6.69 0.46 3.07 0.15 0.62 -4.92 113.70 116.14 1a8r s SER 206 Ca -0.15 0.58 0.14 0.00 0.70 0.00 0.00 55.95 57.22 1a8r s SER 206 Cb 0.01 -2.53 1.04 0.00 -1.71 0.00 0.00 66.02 62.83 1a8r s SER 206 CO 0.44 -1.13 2.02 -0.61 1.20 0.00 0.00 173.24 175.17 1a8r h GLN 207 N 8.90 0.04 0.03 5.44 4.15 -1.83 0.14 115.11 131.98 1a8r h GLN 207 Ca -0.22 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 1a8r h GLN 207 Cb 1.06 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1a8r h GLN 207 CO 1.09 0.16 -0.01 -0.97 -1.93 0.00 0.00 178.83 177.17 1a8r h ASN 208 N 0.04 -0.03 -0.24 -0.69 -1.24 -1.91 -0.76 115.58 110.74 1a8r h ASN 208 Ca 0.01 -0.12 -0.05 0.00 0.71 0.00 0.00 56.30 56.85 1a8r h ASN 208 Cb 0.24 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 1a8r h ASN 208 CO 0.02 0.10 -0.03 0.74 -1.29 0.00 0.00 177.43 176.97 1a8r h THR 209 N -0.17 1.27 -0.23 -3.57 2.02 -1.66 -2.77 112.91 107.81 1a8r h THR 209 Ca -0.00 -0.98 0.06 0.00 0.77 0.00 0.00 66.41 66.26 1a8r h THR 209 Cb 0.15 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 1a8r h THR 209 CO 0.01 0.30 -0.26 -0.09 0.37 0.00 0.00 175.52 175.85 1a8r h ARG 210 N 0.20 -0.26 0.00 6.66 2.43 -0.65 -1.60 114.38 121.16 1a8r h ARG 210 Ca 0.07 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1a8r h ARG 210 Cb 0.46 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1a8r h ARG 210 CO 0.02 -0.17 0.00 0.45 -1.51 0.00 0.00 179.97 178.75 1a8r h HIS 211 N -0.27 0.00 -0.13 2.20 3.86 -1.17 -0.66 115.15 118.97 1a8r h HIS 211 Ca 0.13 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1a8r h HIS 211 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1a8r h HIS 211 CO -0.41 0.00 -0.24 0.93 0.86 0.00 0.00 177.93 179.08 1a8r h GLU 212 N 0.00 0.40 0.62 2.45 5.08 -1.04 -0.47 114.58 121.62 1a8r h GLU 212 Ca 0.00 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1a8r h GLU 212 Cb 0.59 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.87 1a8r h GLU 212 CO 0.00 0.84 -0.30 0.35 -1.00 0.00 0.00 179.01 178.90 1a8r h PHE 213 N -0.00 -0.77 -0.99 4.33 3.57 -0.99 -2.30 116.94 119.77 1a8r h PHE 213 Ca 0.01 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.64 1a8r h PHE 213 Cb 0.82 0.26 -0.09 0.00 2.79 0.00 0.00 35.95 39.72 1a8r h PHE 213 CO 0.10 -0.44 0.61 -0.07 -2.23 0.00 0.00 178.31 176.28 1a8r h LEU 214 N -0.99 0.84 -0.99 0.59 3.38 -1.17 0.21 115.31 117.18 1a8r h LEU 214 Ca -0.09 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1a8r h LEU 214 Cb 0.68 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1a8r h LEU 214 CO 0.14 0.38 0.15 -0.09 0.09 0.00 0.00 178.44 179.11 1a8r h ARG 215 N 0.87 0.88 -0.18 1.13 2.43 -1.00 -2.74 114.38 115.78 1a8r h ARG 215 Ca 0.53 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.44 1a8r h ARG 215 Cb 0.67 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1a8r h ARG 215 CO -0.32 0.78 -0.24 0.00 -1.51 0.00 0.00 179.97 178.68 1a8r h ALA 216 N 1.31 1.25 -2.59 2.80 0.00 -0.40 -3.45 119.26 118.19 1a8r h ALA 216 Ca 0.19 -0.31 -0.54 0.00 0.00 0.00 0.00 54.91 54.25 1a8r h ALA 216 Cb 0.29 -0.10 0.06 0.00 0.00 0.00 0.00 17.79 18.04 1a8r h ALA 216 CO -0.00 0.49 0.93 0.28 0.00 0.00 0.00 179.25 180.95 1a8r n VAL 217 N -4.15 0.22 -2.22 0.00 0.31 -0.69 -4.33 118.33 107.47 1a8r n VAL 217 Ca -0.01 -0.05 -0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1a8r n VAL 217 Cb 0.37 -1.88 -0.00 0.00 -0.91 0.00 0.00 33.84 31.42 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 3.47 -2.19 -3.82 5.55 3.00 -1.26 -5.03 116.66 116.38 1a8r n ARG 218 Ca 0.15 1.93 -0.30 0.00 -0.00 0.00 0.00 57.85 59.63 1a8r n ARG 218 Cb 0.34 -3.61 -0.15 0.00 0.00 0.00 0.00 32.46 29.03 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 -0.91 2.05 -0.32 -0.14 3.76 -1.26 -5.09 115.29 113.38 1a8r s HIS 219 Ca -0.02 -1.77 -0.35 0.00 -0.15 0.00 0.00 55.06 52.77 1a8r s HIS 219 Cb 0.00 -1.73 -0.11 0.00 1.11 0.00 0.00 32.58 31.85 1a8r s HIS 219 CO 0.47 -0.82 2.15 0.72 -0.85 0.00 0.00 174.74 176.42 1a8r n HIS 220 N 4.75 1.70 -0.19 1.40 8.25 -1.26 -5.03 115.22 124.84 1a8r n HIS 220 Ca -0.05 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1a8r n HIS 220 Cb 0.43 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 28.99 1a8r n HIS 220 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07