#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 -0.43 -0.36 0.00 -1.33 0.00 0.00 58.87 56.75 1a8r n SER 2 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1a8r n SER 2 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1a8r s LEU 3 N 0.00 3.64 0.80 2.46 1.43 -1.26 -5.00 118.68 120.75 1a8r s LEU 3 Ca 0.00 2.38 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 1a8r s LEU 3 Cb 0.00 -4.60 0.07 0.00 0.03 0.00 0.00 46.19 41.69 1a8r s LEU 3 CO 0.00 -1.62 1.11 -0.94 0.23 0.00 0.00 176.35 175.12 1a8r s SER 4 N -1.63 4.52 0.23 2.29 1.04 -1.26 -4.83 113.70 114.06 1a8r s SER 4 Ca 0.77 1.19 -0.06 0.00 0.48 0.00 0.00 55.95 58.33 1a8r s SER 4 Cb -0.30 -1.89 0.32 0.00 0.10 0.00 0.00 66.02 64.25 1a8r s SER 4 CO 0.34 -1.94 1.83 0.11 0.98 0.00 0.00 173.24 174.56 1a8r h LYS 5 N -1.07 0.84 -0.38 4.02 1.57 -1.99 -0.87 116.57 118.67 1a8r h LYS 5 Ca -0.47 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.18 1a8r h LYS 5 Cb 1.28 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 1a8r h LYS 5 CO 0.61 0.55 -0.05 0.93 -0.57 0.00 0.00 179.45 180.92 1a8r h GLU 6 N 0.86 0.71 -0.38 3.15 3.07 -1.97 -0.77 114.58 119.25 1a8r h GLU 6 Ca 0.36 -0.25 0.05 0.00 -0.50 0.00 0.00 59.36 59.02 1a8r h GLU 6 Cb 0.21 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.02 1a8r h GLU 6 CO -0.19 0.84 0.09 0.00 -1.40 0.00 0.00 179.01 178.35 1a8r h ALA 7 N 0.85 0.42 0.55 3.43 0.00 -1.74 -0.54 119.26 122.23 1a8r h ALA 7 Ca 0.10 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1a8r h ALA 7 Cb 0.55 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1a8r h ALA 7 CO 0.03 -0.31 -0.27 0.00 0.00 0.00 0.00 179.25 178.71 1a8r h ALA 8 N 1.27 -0.74 -0.16 0.00 0.00 -1.01 -1.49 119.26 117.14 1a8r h ALA 8 Ca 0.18 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1a8r h ALA 8 Cb 0.20 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1a8r h ALA 8 CO -0.22 -0.92 -0.27 -0.07 0.00 0.00 0.00 179.25 177.77 1a8r h LEU 9 N -0.75 -0.85 -0.31 0.00 3.38 -0.80 0.21 115.31 116.19 1a8r h LEU 9 Ca -0.08 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1a8r h LEU 9 Cb 0.57 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1a8r h LEU 9 CO 0.12 -0.31 0.03 0.58 0.09 0.00 0.00 178.44 178.95 1a8r h VAL 10 N -0.33 0.81 -0.45 1.22 2.07 -1.09 0.22 116.25 118.71 1a8r h VAL 10 Ca 0.11 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.61 1a8r h VAL 10 Cb 0.49 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1a8r h VAL 10 CO -0.34 0.02 0.23 -0.74 0.02 0.00 0.00 177.57 176.76 1a8r h HIS 11 N 0.13 0.43 0.07 1.57 -0.00 -0.88 0.10 115.15 116.58 1a8r h HIS 11 Ca 0.15 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.55 1a8r h HIS 11 Cb 0.18 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 1a8r h HIS 11 CO -0.20 0.23 -0.20 0.93 -0.00 0.00 0.00 177.93 178.70 1a8r h GLU 12 N 0.47 -0.34 -0.45 5.26 5.08 -0.25 0.07 114.58 124.42 1a8r h GLU 12 Ca 0.19 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1a8r h GLU 12 Cb 0.08 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1a8r h GLU 12 CO -0.12 -0.23 0.14 0.00 -1.00 0.00 0.00 179.01 177.80 1a8r h ALA 13 N 0.49 0.53 -0.44 3.43 0.00 -0.17 0.38 119.26 123.48 1a8r h ALA 13 Ca 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1a8r h ALA 13 Cb 0.39 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1a8r h ALA 13 CO -0.14 -0.26 0.18 -0.07 0.00 0.00 0.00 179.25 178.97 1a8r h LEU 14 N 0.30 0.61 -0.06 0.00 3.38 -0.66 -1.62 115.31 117.25 1a8r h LEU 14 Ca 0.22 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1a8r h LEU 14 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1a8r h LEU 14 CO -0.24 0.60 -0.03 0.58 0.09 0.00 0.00 178.44 179.44 1a8r h VAL 15 N 0.57 0.89 -0.68 1.22 2.07 -0.46 0.12 116.25 119.98 1a8r h VAL 15 Ca 0.15 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.81 1a8r h VAL 15 Cb 0.18 0.89 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 1a8r h VAL 15 CO -0.01 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.71 1a8r h ALA 16 N 1.03 0.82 -0.00 1.67 0.00 -0.64 0.16 119.26 122.30 1a8r h ALA 16 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1a8r h ALA 16 Cb 0.09 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1a8r h ALA 16 CO -0.08 -0.34 -0.04 0.54 0.00 0.00 0.00 179.25 179.33 1a8r n ARG 17 N -5.17 0.64 -2.45 0.00 3.00 -0.64 -4.90 116.66 107.14 1a8r n ARG 17 Ca 0.12 -0.10 -0.11 0.00 -0.01 0.00 0.00 57.85 57.75 1a8r n ARG 17 Cb 0.40 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.37 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 1.23 -0.00 0.13 -0.13 0.00 0.56 -4.93 105.19 102.06 1a8r n GLY 18 Ca 0.16 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.90 1.23 -4.75 0.99 4.77 0.29 -5.00 117.00 112.63 1a8r n LEU 19 Ca -0.09 -0.57 -0.40 0.00 -0.03 0.00 0.00 56.01 54.92 1a8r n LEU 19 Cb 0.58 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1a8r n LEU 19 CO 0.20 0.27 1.01 -0.62 -1.33 0.00 0.00 177.39 176.92 1a8r n GLU 20 N -1.06 1.99 -2.15 3.23 -0.58 -1.23 -4.87 120.64 115.97 1a8r n GLU 20 Ca 0.05 0.72 -0.41 0.00 -0.42 0.00 0.00 57.16 57.10 1a8r n GLU 20 Cb 0.35 -2.57 -0.02 0.00 -0.57 0.00 0.00 31.44 28.62 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 -1.23 2.84 -0.79 2.62 2.01 -1.26 -4.80 115.64 115.03 1a8r s THR 21 Ca 0.65 0.81 -0.17 0.00 0.31 0.00 0.00 61.69 63.29 1a8r s THR 21 Cb -0.44 -3.52 -0.20 0.00 0.01 0.00 0.00 72.50 68.35 1a8r s THR 21 CO 0.54 0.18 2.06 -2.65 -0.69 0.00 0.00 174.62 174.07 1a8r n PRO 22 N 1.18 0.22 -4.86 4.92 -0.02 -1.26 -4.88 135.00 130.30 1a8r n PRO 22 Ca 0.01 -0.63 -0.25 0.00 -2.02 0.00 0.00 63.50 60.61 1a8r n PRO 22 Cb 0.42 -2.53 -0.15 0.00 -0.02 0.00 0.00 33.50 31.22 1a8r n PRO 22 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1a8r s LEU 23 N 8.64 2.03 0.03 2.45 2.96 -1.26 -5.13 118.68 128.39 1a8r s LEU 23 Ca 0.88 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 54.35 1a8r s LEU 23 Cb -0.31 -0.92 -0.06 0.00 0.50 0.00 0.00 46.19 45.40 1a8r s LEU 23 CO 0.23 0.21 0.38 -0.13 -1.32 0.00 0.00 176.35 175.73 1a8r s ARG 24 N -0.39 3.80 0.66 1.98 0.52 -1.26 -5.07 118.95 119.19 1a8r s ARG 24 Ca 0.06 0.25 -0.17 0.00 -0.52 0.00 0.00 55.73 55.34 1a8r s ARG 24 Cb -0.07 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 1a8r s ARG 24 CO -0.00 0.63 1.15 -2.30 0.02 0.00 0.00 175.30 174.80 1a8r n PRO 25 N 1.37 0.91 -1.53 3.54 -0.02 -1.26 -4.77 135.00 133.25 1a8r n PRO 25 Ca -0.11 0.37 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 1a8r n PRO 25 Cb 0.53 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.74 0.37 -0.16 0.52 -0.02 -1.26 -4.77 135.00 127.94 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 0.19 0.00 -0.02 0.00 0.00 33.50 31.60 1a8r n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1a8r h VAL 27 N 7.48 1.22 -2.87 -1.45 2.07 -2.04 -3.43 116.25 117.22 1a8r h VAL 27 Ca -0.02 -0.72 -0.14 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 -0.34 -1.00 0.02 0.00 0.00 177.57 177.80 1a8r s HIS 28 N -5.36 -0.41 -1.48 1.57 3.76 -1.26 -5.05 115.29 107.05 1a8r s HIS 28 Ca -0.10 0.97 -0.10 0.00 -0.15 0.00 0.00 55.06 55.68 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 2.50 0.39 -0.85 0.00 0.00 174.74 177.36 1a8r n GLU 29 N 3.39 3.60 -3.31 1.40 1.02 -1.26 -4.93 120.64 120.55 1a8r n GLU 29 Ca -0.17 -2.72 -0.38 0.00 -0.02 0.00 0.00 57.16 53.87 1a8r n GLU 29 Cb 0.56 -2.93 -0.06 0.00 -0.02 0.00 0.00 31.44 28.99 1a8r n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1a8r s MET 30 N 1.65 4.24 0.32 3.49 1.75 -1.26 -5.03 119.30 124.45 1a8r s MET 30 Ca 0.56 0.55 -0.29 0.00 -1.25 0.00 0.00 55.69 55.25 1a8r s MET 30 Cb 0.16 -3.35 -0.11 0.00 2.84 0.00 0.00 34.83 34.36 1a8r s MET 30 CO -0.07 0.35 1.57 0.34 -0.65 0.00 0.00 175.02 176.57 1a8r s ASP 31 N -0.05 6.35 0.50 1.11 -1.08 -1.26 -4.87 116.67 117.37 1a8r s ASP 31 Ca 0.27 2.99 0.35 0.00 -0.52 0.00 0.00 52.55 55.64 1a8r s ASP 31 Cb -0.17 -2.64 1.49 0.00 -1.46 0.00 0.00 42.92 40.14 1a8r s ASP 31 CO 0.13 -0.91 1.71 0.78 0.52 0.00 0.00 175.17 177.40 1a8r h ASN 32 N 4.35 0.12 -0.94 -0.34 4.21 -2.00 -2.02 115.58 118.96 1a8r h ASN 32 Ca -0.48 0.04 0.04 0.00 1.21 0.00 0.00 56.30 57.11 1a8r h ASN 32 Cb 1.23 0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 38.40 1a8r h ASN 32 CO 0.75 -0.02 0.62 -0.33 -1.29 0.00 0.00 177.43 177.16 1a8r h GLU 33 N 0.08 1.16 -0.03 0.81 5.08 -1.99 -0.17 114.58 119.51 1a8r h GLU 33 Ca 0.71 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.77 1a8r h GLU 33 Cb 2.54 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 31.53 1a8r h GLU 33 CO -0.14 0.77 -0.90 1.15 -1.00 0.00 0.00 179.01 178.88 1a8r h THR 34 N 1.19 1.36 -0.29 1.13 2.02 -1.74 -1.69 112.91 114.90 1a8r h THR 34 Ca 0.37 -2.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.25 1a8r h THR 34 Cb 0.01 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 1a8r h THR 34 CO -0.11 0.70 0.18 0.03 0.37 0.00 0.00 175.52 176.68 1a8r h ARG 35 N 0.30 0.38 -0.42 6.66 3.08 -1.50 -0.88 114.38 122.01 1a8r h ARG 35 Ca -0.07 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 59.99 1a8r h ARG 35 Cb 1.53 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.45 1a8r h ARG 35 CO 0.16 0.29 0.17 0.87 -1.07 0.00 0.00 179.97 180.39 1a8r h LYS 36 N 0.37 0.35 -0.74 0.04 1.57 -0.93 0.87 116.57 118.09 1a8r h LYS 36 Ca 0.10 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1a8r h LYS 36 Cb -0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1a8r h LYS 36 CO -0.02 0.23 0.30 0.66 -0.57 0.00 0.00 179.45 180.04 1a8r h SER 37 N 0.36 1.00 -0.25 0.86 4.64 -0.93 0.16 113.55 119.39 1a8r h SER 37 Ca 0.19 -0.15 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 1a8r h SER 37 Cb 0.15 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1a8r h SER 37 CO -0.17 0.89 -0.30 -0.07 -0.87 0.00 0.00 176.83 176.31 1a8r h LEU 38 N 1.07 0.69 -0.40 5.97 3.38 -0.62 -1.46 115.31 123.94 1a8r h LEU 38 Ca 0.25 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1a8r h LEU 38 Cb 0.20 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1a8r h LEU 38 CO -0.02 1.05 0.18 0.40 0.09 0.00 0.00 178.44 180.13 1a8r h ILE 39 N 0.35 1.19 -0.93 1.22 2.04 -0.65 -1.69 117.51 119.04 1a8r h ILE 39 Ca 0.03 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.42 1a8r h ILE 39 Cb 0.88 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 1a8r h ILE 39 CO 0.07 0.21 0.58 0.00 0.00 0.00 0.00 178.15 179.00 1a8r h ALA 40 N 1.02 1.31 -0.27 1.87 0.00 -0.62 -0.19 119.26 122.39 1a8r h ALA 40 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a8r h ALA 40 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1a8r h ALA 40 CO -0.01 0.28 0.15 0.78 0.00 0.00 0.00 179.25 180.44 1a8r h GLY 41 N 1.00 0.41 1.28 0.00 0.00 -0.71 0.44 103.07 105.49 1a8r h GLY 41 Ca 0.42 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 1a8r h GLY 41 CO -0.21 0.18 0.11 0.45 0.00 0.00 0.00 176.54 177.07 1a8r h HIS 42 N 0.32 0.93 -0.66 5.60 -0.00 -0.49 -1.61 115.15 119.25 1a8r h HIS 42 Ca 0.10 -0.10 -0.08 0.00 -0.00 0.00 0.00 60.37 60.29 1a8r h HIS 42 Cb 0.07 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 1a8r h HIS 42 CO -0.03 0.79 0.12 0.52 -0.00 0.00 0.00 177.93 179.33 1a8r h MET 43 N 0.85 1.08 -0.47 2.45 2.86 -0.69 -1.03 114.93 119.98 1a8r h MET 43 Ca 0.18 -0.28 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1a8r h MET 43 Cb 0.35 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1a8r h MET 43 CO 0.00 0.98 0.25 1.15 1.06 0.00 0.00 176.91 180.35 1a8r h THR 44 N 1.01 0.98 0.01 2.22 2.02 -0.51 -0.09 112.91 118.55 1a8r h THR 44 Ca 0.20 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1a8r h THR 44 Cb 0.42 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1a8r h THR 44 CO 0.01 0.09 -0.04 -0.33 0.37 0.00 0.00 175.52 175.62 1a8r h GLU 45 N 0.49 -0.06 -0.45 6.66 4.39 -0.96 -1.42 114.58 123.22 1a8r h GLU 45 Ca 0.20 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.96 1a8r h GLU 45 Cb 0.09 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 1a8r h GLU 45 CO -0.13 -0.04 0.19 0.82 -1.16 0.00 0.00 179.01 178.68 1a8r h ILE 46 N -0.07 0.89 -0.33 3.13 2.04 -0.69 0.92 117.51 123.41 1a8r h ILE 46 Ca 0.01 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1a8r h ILE 46 Cb 0.08 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1a8r h ILE 46 CO -0.03 0.07 0.04 0.24 0.00 0.00 0.00 178.15 178.46 1a8r h MET 47 N 0.37 0.49 -0.43 2.37 2.86 -0.87 -1.10 114.93 118.63 1a8r h MET 47 Ca 0.21 -0.09 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 1a8r h MET 47 Cb 0.17 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1a8r h MET 47 CO -0.19 0.49 -0.17 1.96 1.06 0.00 0.00 176.91 180.06 1a8r h GLN 48 N 0.48 0.88 0.00 1.72 4.20 -0.16 -0.40 115.11 121.84 1a8r h GLN 48 Ca 0.11 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 1a8r h GLN 48 Cb 0.26 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1a8r h GLN 48 CO 0.00 1.02 -0.05 -0.07 -0.67 0.00 0.00 178.83 179.06 1a8r h LEU 49 N 0.71 0.00 -1.45 1.46 3.38 -0.08 0.83 115.31 120.15 1a8r h LEU 49 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1a8r h LEU 49 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1a8r h LEU 49 CO 0.06 0.05 0.00 0.18 0.09 0.00 0.00 178.44 178.82 1a8r n LEU 50 N -3.51 2.18 -1.90 1.67 4.77 -0.49 -4.93 117.00 114.78 1a8r n LEU 50 Ca -0.02 -0.91 -0.17 0.00 -0.03 0.00 0.00 56.01 54.88 1a8r n LEU 50 Cb 0.17 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1a8r n LEU 50 CO 0.27 0.46 -0.21 0.59 -1.33 0.00 0.00 177.39 177.16 1a8r n ASN 51 N 0.66 -5.02 -4.78 -1.43 3.02 0.28 -4.99 115.26 103.01 1a8r n ASN 51 Ca 0.17 0.02 -0.39 0.00 -0.03 0.00 0.00 54.58 54.34 1a8r n ASN 51 Cb 0.41 -4.11 -0.06 0.00 -0.61 0.00 0.00 39.78 35.41 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 -4.83 4.59 -1.06 3.41 1.43 -0.21 -4.98 118.68 117.03 1a8r s LEU 52 Ca 0.00 1.67 -0.20 0.00 -1.03 0.00 0.00 54.13 54.58 1a8r s LEU 52 Cb 0.00 -3.34 0.10 0.00 0.03 0.00 0.00 46.19 42.97 1a8r s LEU 52 CO 0.00 0.20 1.39 -0.62 0.23 0.00 0.00 176.35 177.54 1a8r s ASP 53 N -1.17 6.67 0.00 2.29 2.15 -1.26 -4.59 116.67 120.75 1a8r s ASP 53 Ca 0.37 -2.00 0.00 0.00 0.43 0.00 0.00 52.55 51.35 1a8r s ASP 53 Cb -0.23 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1a8r s ASP 53 CO 0.27 -1.21 0.49 0.18 -0.17 0.00 0.00 175.17 174.72 1a8r n LEU 54 N 7.63 0.00 0.11 -1.34 4.77 -1.26 -0.93 117.00 125.98 1a8r n LEU 54 Ca 0.33 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.38 1a8r n LEU 54 Cb 0.49 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1a8r n LEU 54 CO 0.62 0.00 0.16 0.00 -1.33 0.00 0.00 177.39 176.84 1a8r h ALA 55 N 1.97 0.66 -2.77 -1.18 0.00 -1.92 -3.27 119.26 112.75 1a8r h ALA 55 Ca 0.00 -0.33 -0.53 0.00 0.00 0.00 0.00 54.91 54.06 1a8r h ALA 55 Cb 0.00 0.06 0.06 0.00 0.00 0.00 0.00 17.79 17.92 1a8r h ALA 55 CO 0.00 0.38 0.79 0.34 0.00 0.00 0.00 179.25 180.75 1a8r s ASP 56 N -5.83 6.58 0.44 0.00 2.15 -0.11 -4.79 116.67 115.11 1a8r s ASP 56 Ca 0.01 2.75 0.18 0.00 0.43 0.00 0.00 52.55 55.91 1a8r s ASP 56 Cb 0.08 -2.63 1.11 0.00 -0.30 0.00 0.00 42.92 41.18 1a8r s ASP 56 CO 0.77 -0.75 1.90 -2.24 -0.17 0.00 0.00 175.17 174.67 1a8r h ASP 57 N 4.87 0.35 0.94 -0.34 2.03 -1.89 0.15 116.42 122.53 1a8r h ASP 57 Ca -0.46 0.03 -0.11 0.00 -0.73 0.00 0.00 57.03 55.75 1a8r h ASP 57 Cb 1.22 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 39.66 1a8r h ASP 57 CO 0.77 0.16 -0.52 -1.28 -1.03 0.00 0.00 179.24 177.34 1a8r h SER 58 N 0.37 0.00 0.00 4.15 0.87 -1.95 -3.33 113.55 113.65 1a8r h SER 58 Ca 0.40 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.94 1a8r h SER 58 Cb 1.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1a8r h SER 58 CO -0.13 0.52 -1.94 0.18 -0.53 0.00 0.00 176.83 174.93 1a8r n LEU 59 N -3.51 0.00 -0.23 2.23 4.77 -0.15 -4.59 117.00 115.52 1a8r n LEU 59 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1a8r n LEU 59 Cb 0.62 0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.81 1a8r n LEU 59 CO 0.40 0.04 0.71 -0.03 -1.33 0.00 0.00 177.39 177.17 1a8r h MET 60 N 0.00 -0.03 -0.01 3.23 4.05 -0.84 -2.11 114.93 119.22 1a8r h MET 60 Ca -0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1a8r h MET 60 Cb 1.01 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 1a8r h MET 60 CO 0.00 -0.02 -0.12 0.39 0.23 0.00 0.00 176.91 177.39 1a8r n GLU 61 N -5.46 1.21 -0.08 0.39 -0.58 -1.26 -4.43 120.64 110.43 1a8r n GLU 61 Ca 0.08 -0.67 -0.06 0.00 -0.42 0.00 0.00 57.16 56.08 1a8r n GLU 61 Cb 0.35 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.73 1a8r n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1a8r h THR 62 N 1.65 0.62 -0.94 2.62 2.02 -1.63 -0.60 112.91 116.65 1a8r h THR 62 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 1a8r h THR 62 Cb 0.48 0.62 -0.08 0.00 -1.74 0.00 0.00 68.15 67.43 1a8r h THR 62 CO 0.00 0.00 0.60 -0.65 0.37 0.00 0.00 175.52 175.84 1a8r h PRO 63 N -0.05 0.67 -0.19 6.66 0.11 -1.77 0.16 132.00 137.58 1a8r h PRO 63 Ca 0.15 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.08 1a8r h PRO 63 Cb 0.28 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1a8r h PRO 63 CO -0.34 0.45 -0.44 1.25 -0.21 0.00 0.00 178.00 178.71 1a8r h HIS 64 N 0.69 0.81 -0.27 0.65 -0.00 -1.66 -2.01 115.15 113.36 1a8r h HIS 64 Ca 0.49 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 1a8r h HIS 64 Cb 0.82 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 1a8r h HIS 64 CO -0.00 1.07 0.17 0.00 -0.00 0.00 0.00 177.93 179.17 1a8r h ARG 65 N 0.32 0.36 -0.50 5.26 3.08 0.51 0.07 114.38 123.48 1a8r h ARG 65 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1a8r h ARG 65 Cb 1.04 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1a8r h ARG 65 CO 0.10 0.26 0.23 0.82 -1.07 0.00 0.00 179.97 180.30 1a8r h ILE 66 N 0.35 1.20 -0.41 2.04 2.04 -0.81 -0.28 117.51 121.65 1a8r h ILE 66 Ca 0.10 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1a8r h ILE 66 Cb -0.01 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1a8r h ILE 66 CO -0.02 0.23 0.24 0.00 0.00 0.00 0.00 178.15 178.60 1a8r h ALA 67 N 1.07 0.51 -0.83 1.87 0.00 -1.09 -1.35 119.26 119.44 1a8r h ALA 67 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1a8r h ALA 67 Cb 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1a8r h ALA 67 CO -0.02 -0.08 0.36 -0.22 0.00 0.00 0.00 179.25 179.29 1a8r h LYS 68 N 0.49 1.21 -0.21 0.00 3.64 -0.74 -1.92 116.57 119.05 1a8r h LYS 68 Ca 0.16 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1a8r h LYS 68 Cb 0.00 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1a8r h LYS 68 CO -0.07 0.96 0.10 1.98 -2.27 0.00 0.00 179.45 180.15 1a8r h MET 69 N 1.19 0.30 -0.28 1.90 4.05 -0.57 0.33 114.93 121.86 1a8r h MET 69 Ca 0.28 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.61 1a8r h MET 69 Cb 0.17 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1a8r h MET 69 CO -0.03 0.32 -0.02 1.88 0.23 0.00 0.00 176.91 179.29 1a8r h TYR 70 N 0.21 0.55 0.15 1.39 0.05 -1.16 0.16 116.97 118.32 1a8r h TYR 70 Ca 0.07 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1a8r h TYR 70 Cb 0.11 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.71 1a8r h TYR 70 CO -0.03 0.67 -0.07 0.28 -1.05 0.00 0.00 178.16 177.96 1a8r h VAL 71 N 0.28 0.48 0.00 -2.88 2.07 -1.35 -3.36 116.25 111.49 1a8r h VAL 71 Ca 0.08 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1a8r h VAL 71 Cb 0.46 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1a8r h VAL 71 CO 0.02 0.14 -0.92 0.44 0.02 0.00 0.00 177.57 177.27 1a8r h ASP 72 N -0.99 0.00 0.00 0.57 3.32 -0.48 -3.42 116.42 115.42 1a8r h ASP 72 Ca -0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1a8r h ASP 72 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1a8r h ASP 72 CO 0.03 0.03 0.00 -0.62 -1.72 0.00 0.00 179.24 176.96 1a8r n GLU 73 N -2.56 0.00 0.16 3.56 1.02 -0.14 -4.64 120.64 118.04 1a8r n GLU 73 Ca 0.01 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 1a8r n GLU 73 Cb 0.53 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 32.22 1a8r n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1a8r n ILE 74 N 0.00 0.47 -1.04 -3.67 -5.35 -0.16 -0.45 119.36 109.17 1a8r n ILE 74 Ca 0.00 0.74 0.07 0.00 -0.27 0.00 0.00 62.75 63.29 1a8r n ILE 74 Cb 0.00 -1.74 0.10 0.00 -1.74 0.00 0.00 39.64 36.26 1a8r n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1a8r n PHE 75 N -1.97 0.00 0.17 4.28 3.72 -1.26 -2.78 117.46 119.62 1a8r n PHE 75 Ca -0.01 -0.77 0.18 0.00 -0.05 0.00 0.00 57.45 56.80 1a8r n PHE 75 Cb 0.42 -0.12 0.80 0.00 -0.94 0.00 0.00 39.48 39.63 1a8r n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a8r h SER 76 N 0.00 0.00 0.42 4.37 4.64 -0.77 -1.06 113.55 121.16 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 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1a8r h SER 76 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1a8r n GLY 77 N -1.44 -0.92 0.15 -0.77 0.00 0.07 -2.29 105.19 99.98 1a8r n GLY 77 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1a8r n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a8r h LEU 78 N 0.00 0.00 -8.53 0.99 3.38 -1.29 -3.42 115.31 106.43 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 0.21 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.78 1a8r h LEU 78 CO 0.00 0.57 -0.15 -0.62 0.09 0.00 0.00 178.44 178.33 1a8r s ASP 79 N -6.75 6.21 0.00 -0.43 2.15 -0.97 -4.94 116.67 111.94 1a8r s ASP 79 Ca -0.01 -0.65 0.04 0.00 0.43 0.00 0.00 52.55 52.36 1a8r s ASP 79 Cb 0.12 -2.24 0.24 0.00 -0.30 0.00 0.00 42.92 40.75 1a8r s ASP 79 CO 0.75 -0.62 0.67 -1.22 -0.17 0.00 0.00 175.17 174.57 1a8r n TYR 80 N 5.71 0.00 0.24 -5.34 4.02 -1.26 -0.59 117.16 119.93 1a8r n TYR 80 Ca -0.07 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.96 1a8r n TYR 80 Cb 0.47 0.00 0.37 0.00 -0.02 0.00 0.00 39.34 40.16 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 2.15 0.98 -0.48 -0.72 0.00 -1.92 -2.76 119.26 116.52 1a8r h ALA 81 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a8r h ALA 81 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1a8r h ALA 81 CO 0.00 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.41 1a8r n ASN 82 N -3.13 3.06 -4.74 0.00 3.02 0.24 -4.96 115.26 108.75 1a8r n ASN 82 Ca 0.02 -1.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 1a8r n ASN 82 Cb 0.46 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 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 -1.37 2.93 0.48 3.10 5.36 -1.04 -4.93 117.98 122.51 1a8r s PHE 83 Ca 0.39 0.85 -0.24 0.00 -0.96 0.00 0.00 56.93 56.97 1a8r s PHE 83 Cb 0.21 -3.93 -0.07 0.00 -0.34 0.00 0.00 43.02 38.88 1a8r s PHE 83 CO 0.28 -3.16 1.35 -0.35 -1.46 0.00 0.00 175.22 171.88 1a8r n PRO 84 N 2.60 1.94 -2.32 10.12 -0.04 -1.26 -4.93 135.00 141.11 1a8r n PRO 84 Ca 0.09 0.70 -0.43 0.00 -0.04 0.00 0.00 63.50 63.82 1a8r n PRO 84 Cb 0.39 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.29 1a8r n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1a8r s LYS 85 N -2.56 4.20 -0.03 0.54 1.02 -1.26 -4.94 119.74 116.71 1a8r s LYS 85 Ca 0.65 1.77 -0.19 0.00 0.02 0.00 0.00 55.97 58.23 1a8r s LYS 85 Cb -0.45 -3.83 -0.05 0.00 -0.52 0.00 0.00 37.83 32.98 1a8r s LYS 85 CO 0.54 -0.77 0.53 0.42 -0.92 0.00 0.00 175.35 175.15 1a8r s ILE 86 N 3.71 5.00 -0.03 2.17 -1.09 -1.26 -4.94 121.20 124.77 1a8r s ILE 86 Ca 0.60 1.09 0.03 0.00 -2.23 0.00 0.00 60.65 60.13 1a8r s ILE 86 Cb -0.24 -3.86 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1a8r s ILE 86 CO 0.19 0.43 -0.12 0.42 -1.23 0.00 0.00 174.94 174.62 1a8r s THR 87 N -0.15 1.00 0.10 2.92 -4.23 -1.26 -5.09 115.64 108.93 1a8r s THR 87 Ca 0.28 -0.50 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 1a8r s THR 87 Cb -0.17 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 1a8r s THR 87 CO 0.15 0.30 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.69 1a8r s LEU 88 N 0.02 2.50 0.08 4.79 1.43 -1.26 -1.74 118.68 124.50 1a8r s LEU 88 Ca -0.01 -0.97 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 1a8r s LEU 88 Cb -0.08 -0.13 -0.03 0.00 0.03 0.00 0.00 46.19 45.97 1a8r s LEU 88 CO 0.01 -0.42 -0.10 0.27 0.23 0.00 0.00 176.35 176.33 1a8r s ILE 89 N -3.41 0.86 0.19 -0.59 -4.36 0.03 -4.96 121.20 108.97 1a8r s ILE 89 Ca 0.11 -1.43 -0.32 0.00 -0.26 0.00 0.00 60.65 58.75 1a8r s ILE 89 Cb 0.04 -1.11 -0.11 0.00 1.25 0.00 0.00 42.46 42.52 1a8r s ILE 89 CO -0.03 -0.45 1.64 -0.70 0.24 0.00 0.00 174.94 175.63 1a8r s GLU 90 N -2.29 4.17 -1.14 0.37 2.12 -1.26 -0.35 118.70 120.32 1a8r s GLU 90 Ca 0.00 2.48 -0.08 0.00 0.36 0.00 0.00 54.97 57.72 1a8r s GLU 90 Cb -0.06 -3.11 -0.07 0.00 0.26 0.00 0.00 34.13 31.15 1a8r s GLU 90 CO 0.00 -0.67 2.35 -1.71 -0.54 0.00 0.00 175.26 174.69 1a8r n ASN 91 N 3.91 5.84 0.21 -1.70 5.15 0.18 -4.44 115.26 124.42 1a8r n ASN 91 Ca 0.15 -2.44 0.07 0.00 -0.60 0.00 0.00 54.58 51.75 1a8r n ASN 91 Cb 0.37 -1.25 0.44 0.00 -0.53 0.00 0.00 39.78 38.80 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 6.03 0.00 0.00 1.20 1.57 -1.89 -1.64 116.57 121.84 1a8r h LYS 92 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1a8r h LYS 92 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1a8r h LYS 92 CO 1.60 0.31 0.00 0.52 -0.57 0.00 0.00 179.45 181.31 1a8r h MET 93 N 0.00 0.00 -5.62 3.15 2.86 -1.99 -3.45 114.93 109.88 1a8r h MET 93 Ca -0.00 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.23 1a8r h MET 93 Cb 0.71 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.48 1a8r h MET 93 CO 0.04 0.00 -0.67 1.63 1.06 0.00 0.00 176.91 178.97 1a8r n LYS 94 N -2.71 -7.21 -2.19 1.72 5.02 -0.62 -4.92 118.16 107.25 1a8r n LYS 94 Ca -0.01 0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 56.68 1a8r n LYS 94 Cb 0.12 -5.84 -0.03 0.00 -0.02 0.00 0.00 35.03 29.27 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 -3.29 3.69 -0.13 -0.18 1.01 -1.26 -4.88 120.40 115.37 1a8r s VAL 95 Ca 0.54 1.03 0.19 0.00 0.00 0.00 0.00 61.98 63.74 1a8r s VAL 95 Cb -0.24 -3.67 0.44 0.00 0.00 0.00 0.00 36.38 32.91 1a8r s VAL 95 CO 0.67 -0.02 1.19 -0.90 0.00 0.00 0.00 175.10 176.03 1a8r n ASP 96 N 5.73 1.62 -4.26 3.32 5.75 -1.26 -4.22 116.55 123.23 1a8r n ASP 96 Ca 0.14 -2.86 -0.21 0.00 -0.01 0.00 0.00 54.79 51.84 1a8r n ASP 96 Cb 0.43 -0.41 -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 -1.85 1.07 0.52 0.11 0.41 -1.26 -4.95 118.70 112.76 1a8r s GLU 97 Ca 0.36 -1.19 -0.21 0.00 -0.41 0.00 0.00 54.97 53.53 1a8r s GLU 97 Cb 0.38 -1.17 -0.06 0.00 -1.78 0.00 0.00 34.13 31.50 1a8r s GLU 97 CO -0.10 0.26 1.18 0.00 -0.49 0.00 0.00 175.26 176.10 1a8r s MET 98 N -2.20 3.40 -0.14 1.61 0.23 -1.26 -4.22 119.30 116.73 1a8r s MET 98 Ca 0.07 1.76 -0.01 0.00 -1.03 0.00 0.00 55.69 56.48 1a8r s MET 98 Cb -0.08 -2.15 -0.02 0.00 -1.53 0.00 0.00 34.83 31.05 1a8r s MET 98 CO 0.04 -0.84 -0.09 0.08 -2.03 0.00 0.00 175.02 172.18 1a8r s VAL 99 N -1.62 3.41 -0.07 5.16 1.01 0.12 -4.92 120.40 123.49 1a8r s VAL 99 Ca 0.70 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1a8r s VAL 99 Cb -0.28 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1a8r s VAL 99 CO 0.32 0.52 -0.19 -0.89 0.00 0.00 0.00 175.10 174.86 1a8r s THR 100 N 0.29 1.65 -0.27 3.92 2.01 -1.26 -1.66 115.64 120.32 1a8r s THR 100 Ca -0.07 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 1a8r s THR 100 Cb -0.15 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 70.94 1a8r s THR 100 CO 0.04 0.47 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.75 1a8r s VAL 101 N 0.30 3.35 0.28 3.82 1.01 0.99 -4.99 120.40 125.15 1a8r s VAL 101 Ca -0.12 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.07 1a8r s VAL 101 Cb -0.15 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1a8r s VAL 101 CO 0.05 0.16 0.11 0.00 0.00 0.00 0.00 175.10 175.42 1a8r s ARG 102 N 1.40 2.55 -1.44 2.72 1.70 -1.26 -0.59 118.95 124.03 1a8r s ARG 102 Ca 0.01 -1.32 -0.05 0.00 -0.47 0.00 0.00 55.73 53.91 1a8r s ARG 102 Cb -0.17 -2.32 0.04 0.00 -0.57 0.00 0.00 34.95 31.93 1a8r s ARG 102 CO -0.01 0.30 0.63 -0.25 -1.08 0.00 0.00 175.30 174.89 1a8r n ASP 103 N -1.08 -1.66 -4.68 -2.89 8.00 -1.07 -4.93 116.55 108.24 1a8r n ASP 103 Ca -0.06 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 1a8r n ASP 103 Cb 0.59 -3.40 -0.03 0.00 -0.02 0.00 0.00 41.12 38.27 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 -3.69 4.33 0.16 0.53 1.01 -0.15 -4.83 121.20 118.56 1a8r s ILE 104 Ca 0.21 1.64 -0.32 0.00 0.00 0.00 0.00 60.65 62.19 1a8r s ILE 104 Cb -0.11 -4.05 -0.11 0.00 0.01 0.00 0.00 42.46 38.19 1a8r s ILE 104 CO 0.87 -0.02 1.79 0.41 0.00 0.00 0.00 174.94 177.99 1a8r n THR 105 N 4.68 0.21 -3.89 2.92 -1.04 -1.26 -1.03 114.28 114.87 1a8r n THR 105 Ca 0.11 -0.04 -0.27 0.00 -2.04 0.00 0.00 64.05 61.81 1a8r n THR 105 Cb 0.46 -2.06 -0.17 0.00 -1.82 0.00 0.00 70.33 66.74 1a8r n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1a8r s LEU 106 N 2.07 1.38 -0.22 -4.42 0.20 0.37 -4.80 118.68 113.26 1a8r s LEU 106 Ca 0.79 -0.50 0.01 0.00 0.69 0.00 0.00 54.13 55.12 1a8r s LEU 106 Cb -0.49 -0.85 0.03 0.00 -0.43 0.00 0.00 46.19 44.45 1a8r s LEU 106 CO 0.35 -0.16 -0.14 0.42 -0.29 0.00 0.00 176.35 176.53 1a8r s THR 107 N 1.69 2.26 0.26 3.68 -4.23 -1.26 -0.38 115.64 117.65 1a8r s THR 107 Ca 0.03 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.40 1a8r s THR 107 Cb -0.14 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 1a8r s THR 107 CO -0.08 0.29 0.17 -0.24 -0.54 0.00 0.00 174.62 174.22 1a8r n SER 108 N 4.57 0.09 -3.89 3.99 2.88 -0.50 -4.14 113.62 116.62 1a8r n SER 108 Ca -0.18 -2.57 -0.22 0.00 -1.33 0.00 0.00 58.87 54.57 1a8r n SER 108 Cb 0.47 1.04 -0.17 0.00 -0.75 0.00 0.00 64.21 64.80 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 -2.86 0.66 0.30 2.46 2.01 -1.25 -0.78 115.64 116.19 1a8r s THR 109 Ca 0.24 -0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 1a8r s THR 109 Cb 0.01 -0.69 -0.10 0.00 0.01 0.00 0.00 72.50 71.73 1a8r s THR 109 CO 0.17 0.27 1.13 0.00 -0.69 0.00 0.00 174.62 175.50 1a8r n GLU 111 N 0.99 0.03 0.02 0.00 0.28 -0.53 -0.76 120.64 120.67 1a8r n GLU 111 Ca -0.00 0.01 -0.18 0.00 -0.16 0.00 0.00 57.16 56.83 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 -1.92 -3.38 113.55 111.91 1a8r h SER 112 Ca 0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1a8r h SER 112 Cb 0.47 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1a8r h SER 112 CO 0.00 1.43 0.00 1.41 -0.87 0.00 0.00 176.83 178.80 1a8r n HIS 113 N -3.87 0.00 -3.52 4.77 8.25 -1.25 -5.01 115.22 114.59 1a8r n HIS 113 Ca -0.09 -0.09 -0.26 0.00 -0.26 0.00 0.00 57.72 57.03 1a8r n HIS 113 Cb 0.81 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.95 1a8r n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1a8r n PHE 114 N -0.09 -2.28 -4.24 4.41 3.01 0.06 -4.99 117.46 113.35 1a8r n PHE 114 Ca 0.00 0.76 -0.26 0.00 1.01 0.00 0.00 57.45 58.96 1a8r n PHE 114 Cb 0.19 -4.19 -0.08 0.00 -0.01 0.00 0.00 39.48 35.39 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 -3.21 3.58 0.30 -4.37 1.01 -1.23 -4.84 120.40 111.63 1a8r s VAL 115 Ca 0.51 -1.56 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 1a8r s VAL 115 Cb -0.25 -2.82 -0.13 0.00 0.00 0.00 0.00 36.38 33.18 1a8r s VAL 115 CO 0.63 -0.16 1.13 0.41 0.00 0.00 0.00 175.10 177.11 1a8r n THR 116 N -0.25 1.90 -3.94 3.92 -1.04 -1.26 -0.49 114.28 113.11 1a8r n THR 116 Ca -0.09 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.05 61.15 1a8r n THR 116 Cb 0.56 -1.21 -0.16 0.00 -1.82 0.00 0.00 70.33 67.69 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 -0.98 1.34 -0.27 12.58 1.01 0.04 -1.11 121.20 133.81 1a8r s ILE 117 Ca 0.59 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 1a8r s ILE 117 Cb -0.66 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1a8r s ILE 117 CO 0.60 0.22 0.02 -0.62 0.00 0.00 0.00 174.94 175.16 1a8r s ASP 118 N 1.55 4.76 0.26 3.58 2.15 -0.09 -1.41 116.67 127.46 1a8r s ASP 118 Ca 0.01 -0.73 -0.01 0.00 0.43 0.00 0.00 52.55 52.25 1a8r s ASP 118 Cb -0.15 -1.79 0.01 0.00 -0.30 0.00 0.00 42.92 40.69 1a8r s ASP 118 CO -0.08 -0.15 0.37 0.61 -0.17 0.00 0.00 175.17 175.74 1a8r n GLY 119 N 4.79 2.37 2.87 2.66 0.00 0.48 -0.45 105.19 117.92 1a8r n GLY 119 Ca -0.16 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.60 0.15 0.14 1.61 1.02 0.35 -0.48 119.74 119.92 1a8r s LYS 120 Ca 0.22 -0.01 0.07 0.00 0.02 0.00 0.00 55.97 56.26 1a8r s LYS 120 Cb -0.01 -0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.06 1a8r s LYS 120 CO 0.16 -0.01 -0.04 0.00 -0.92 0.00 0.00 175.35 174.54 1a8r s ALA 121 N 0.25 3.12 -0.15 5.17 0.00 -0.20 -1.11 121.76 128.84 1a8r s ALA 121 Ca -0.02 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.64 1a8r s ALA 121 Cb -0.04 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.14 1a8r s ALA 121 CO -0.01 0.57 -0.05 0.99 0.00 0.00 0.00 175.76 177.26 1a8r s THR 122 N -1.49 1.04 -0.10 0.00 2.01 0.51 -0.98 115.64 116.62 1a8r s THR 122 Ca 0.25 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1a8r s THR 122 Cb -0.10 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1a8r s THR 122 CO 0.17 0.17 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.44 1a8r s VAL 123 N 1.67 3.02 0.04 3.82 1.01 0.25 -1.67 120.40 128.54 1a8r s VAL 123 Ca 0.02 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1a8r s VAL 123 Cb -0.15 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1a8r s VAL 123 CO -0.08 0.55 -0.08 0.00 0.00 0.00 0.00 175.10 175.49 1a8r s ALA 124 N -0.01 0.58 0.12 5.51 0.00 -0.68 -0.01 121.76 127.28 1a8r s ALA 124 Ca -0.04 -0.72 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 1a8r s ALA 124 Cb -0.14 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.05 1a8r s ALA 124 CO 0.04 -0.00 0.48 1.52 0.00 0.00 0.00 175.76 177.81 1a8r s TYR 125 N -1.25 -0.35 -0.31 0.00 1.13 -0.67 -0.33 117.35 115.57 1a8r s TYR 125 Ca -0.09 0.13 -0.07 0.00 -1.41 0.00 0.00 57.07 55.63 1a8r s TYR 125 Cb -0.09 0.37 0.02 0.00 -1.10 0.00 0.00 41.96 41.16 1a8r s TYR 125 CO 0.00 -0.74 0.09 0.42 -2.51 0.00 0.00 175.55 172.82 1a8r s ILE 126 N -3.56 3.96 0.31 -3.49 1.01 -0.84 0.12 121.20 118.71 1a8r s ILE 126 Ca 0.01 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 1a8r s ILE 126 Cb 0.00 -3.10 -0.12 0.00 0.01 0.00 0.00 42.46 39.25 1a8r s ILE 126 CO -0.11 -0.00 1.49 -2.65 0.00 0.00 0.00 174.94 173.67 1a8r n PRO 127 N 4.86 2.47 0.00 2.79 -0.02 -1.26 -4.88 135.00 138.97 1a8r n PRO 127 Ca -0.14 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1a8r n PRO 127 Cb 0.47 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 1.56 0.00 0.03 -0.52 4.81 -1.26 -4.53 118.16 118.25 1a8r n LYS 128 Ca 0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.49 1a8r n LYS 128 Cb 0.36 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.32 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 -3.51 3.14 3.32 -1.90 -3.45 116.42 114.02 1a8r h ASP 129 Ca 0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 1a8r h ASP 129 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 1a8r h ASP 129 CO 0.00 0.70 -0.73 -0.94 -1.72 0.00 0.00 179.24 176.55 1a8r s SER 130 N -5.96 2.29 -0.18 6.45 1.04 -1.26 -0.65 113.70 115.43 1a8r s SER 130 Ca -0.03 -1.00 -0.00 0.00 0.48 0.00 0.00 55.95 55.40 1a8r s SER 130 Cb 0.08 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.12 1a8r s SER 130 CO 0.81 -0.22 -0.16 -0.69 0.98 0.00 0.00 173.24 173.97 1a8r s VAL 131 N -3.01 2.48 0.37 5.02 1.01 0.52 -4.73 120.40 122.06 1a8r s VAL 131 Ca 0.20 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1a8r s VAL 131 Cb -0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 1a8r s VAL 131 CO 0.05 0.51 0.78 -0.51 0.00 0.00 0.00 175.10 175.92 1a8r s ILE 132 N 1.22 4.68 0.27 2.22 2.07 -1.26 -0.79 121.20 129.61 1a8r s ILE 132 Ca 0.03 0.91 -0.30 0.00 -1.41 0.00 0.00 60.65 59.87 1a8r s ILE 132 Cb -0.14 -3.65 -0.11 0.00 0.13 0.00 0.00 42.46 38.68 1a8r s ILE 132 CO -0.08 -0.34 1.60 -0.83 -1.91 0.00 0.00 174.94 173.39 1a8r s GLY 133 N -2.60 1.93 0.19 1.50 0.00 -0.71 -4.89 107.32 102.74 1a8r s GLY 133 Ca 0.54 1.54 -0.12 0.00 0.00 0.00 0.00 44.72 46.68 1a8r s GLY 133 CO 0.22 2.59 1.73 1.41 0.00 0.00 0.00 173.10 179.05 1a8r h LEU 134 N 5.33 0.07 -2.09 0.66 3.38 -1.94 -2.34 115.31 118.37 1a8r h LEU 134 Ca -0.46 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1a8r h LEU 134 Cb 1.22 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1a8r h LEU 134 CO 0.83 0.06 -0.03 0.77 0.09 0.00 0.00 178.44 180.16 1a8r h SER 135 N 0.28 0.00 0.16 -0.43 4.64 -2.00 -1.70 113.55 114.50 1a8r h SER 135 Ca 0.26 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.55 1a8r h SER 135 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1a8r h SER 135 CO -0.31 0.03 -0.13 0.11 -0.87 0.00 0.00 176.83 175.66 1a8r h LYS 136 N 0.00 0.00 -0.35 4.77 1.79 -1.78 0.29 116.57 121.29 1a8r h LYS 136 Ca -0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1a8r h LYS 136 Cb 0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1a8r h LYS 136 CO 0.00 0.13 -0.17 0.82 -1.08 0.00 0.00 179.45 179.15 1a8r h ILE 137 N 0.00 1.29 0.00 1.86 2.04 -1.38 -1.35 117.51 119.97 1a8r h ILE 137 Ca -0.00 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 1a8r h ILE 137 Cb 0.24 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1a8r h ILE 137 CO 0.02 0.42 -0.00 0.78 0.00 0.00 0.00 178.15 179.37 1a8r h ASN 138 N 0.51 -0.00 -0.58 1.72 2.35 -1.26 -2.05 115.58 116.26 1a8r h ASN 138 Ca 0.08 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1a8r h ASN 138 Cb 0.71 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.03 1a8r h ASN 138 CO 0.05 0.17 0.32 0.03 -1.65 0.00 0.00 177.43 176.35 1a8r h ARG 139 N -0.18 0.60 -0.61 0.81 3.08 -0.96 -1.13 114.38 116.00 1a8r h ARG 139 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1a8r h ARG 139 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1a8r h ARG 139 CO 0.00 0.40 0.28 0.82 -1.07 0.00 0.00 179.97 180.40 1a8r h ILE 140 N 0.62 1.22 -0.56 2.04 2.04 -1.17 0.45 117.51 122.15 1a8r h ILE 140 Ca 0.25 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1a8r h ILE 140 Cb 0.11 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1a8r h ILE 140 CO -0.15 0.25 0.34 0.58 0.00 0.00 0.00 178.15 179.18 1a8r h VAL 141 N 0.83 1.08 0.00 1.67 2.07 -0.93 -1.87 116.25 119.11 1a8r h VAL 141 Ca 0.21 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1a8r h VAL 141 Cb 0.13 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1a8r h VAL 141 CO -0.02 0.13 -0.28 1.56 0.02 0.00 0.00 177.57 178.97 1a8r h GLN 142 N 0.69 0.00 0.35 1.57 1.08 -0.49 -1.86 115.11 116.45 1a8r h GLN 142 Ca 0.22 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1a8r h GLN 142 Cb -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1a8r h GLN 142 CO -0.08 0.28 -0.17 0.35 -0.95 0.00 0.00 178.83 178.26 1a8r h PHE 143 N 0.00 -0.44 0.00 2.96 3.57 0.71 -2.37 116.94 121.37 1a8r h PHE 143 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1a8r h PHE 143 Cb 0.75 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1a8r h PHE 143 CO 0.00 -0.11 -0.22 0.74 -2.23 0.00 0.00 178.31 176.50 1a8r h PHE 144 N -0.81 0.00 -0.21 0.41 0.04 -1.47 -3.02 116.94 111.88 1a8r h PHE 144 Ca -0.05 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.58 1a8r h PHE 144 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1a8r h PHE 144 CO 0.02 0.22 -0.44 0.00 -0.60 0.00 0.00 178.31 177.50 1a8r h ALA 145 N 1.78 0.84 0.00 2.45 0.00 -1.27 -3.34 119.26 119.73 1a8r h ALA 145 Ca -0.00 -0.46 -0.71 0.00 0.00 0.00 0.00 54.91 53.74 1a8r h ALA 145 Cb 0.63 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1a8r h ALA 145 CO 0.03 0.65 3.18 1.04 0.00 0.00 0.00 179.25 184.15 1a8r n GLN 146 N -4.01 2.89 -3.50 0.00 1.13 -0.90 -4.13 117.38 108.86 1a8r n GLN 146 Ca -0.02 -2.56 -0.09 0.00 -1.94 0.00 0.00 57.00 52.38 1a8r n GLN 146 Cb 0.54 -3.25 -0.02 0.00 0.11 0.00 0.00 30.24 27.61 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 3.16 1.01 0.07 -1.09 0.52 -1.12 -0.75 118.95 120.74 1a8r s ARG 147 Ca 0.49 -0.39 -0.31 0.00 -0.52 0.00 0.00 55.73 55.00 1a8r s ARG 147 Cb 0.14 0.45 -0.07 0.00 0.52 0.00 0.00 34.95 35.99 1a8r s ARG 147 CO -0.09 -0.44 1.37 -2.14 0.02 0.00 0.00 175.30 174.02 1a8r s PRO 148 N -3.34 4.32 0.29 3.54 0.02 -1.26 -3.83 135.00 134.74 1a8r s PRO 148 Ca 0.04 2.00 0.03 0.00 0.02 0.00 0.00 61.00 63.10 1a8r s PRO 148 Cb -0.01 -3.37 -0.06 0.00 0.02 0.00 0.00 34.50 31.08 1a8r s PRO 148 CO -0.09 -0.46 0.05 -0.65 -0.33 0.00 0.00 177.00 175.52 1a8r s GLN 149 N 1.55 1.54 -0.17 5.54 -1.52 0.10 -4.70 119.66 122.00 1a8r s GLN 149 Ca 0.64 -1.83 -0.01 0.00 -1.95 0.00 0.00 55.36 52.21 1a8r s GLN 149 Cb -0.34 -0.71 0.04 0.00 -0.22 0.00 0.00 33.01 31.79 1a8r s GLN 149 CO 0.29 -0.18 -0.04 0.08 -0.25 0.00 0.00 175.29 175.18 1a8r s VAL 150 N -3.40 1.07 0.28 1.09 1.01 -1.26 -1.46 120.40 117.72 1a8r s VAL 150 Ca 0.35 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1a8r s VAL 150 Cb 0.08 -1.28 0.30 0.00 0.00 0.00 0.00 36.38 35.48 1a8r s VAL 150 CO 0.14 0.09 1.65 -0.61 0.00 0.00 0.00 175.10 176.37 1a8r h GLN 151 N 8.12 0.21 -0.59 2.72 4.15 -1.99 0.13 115.11 127.88 1a8r h GLN 151 Ca -0.23 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.26 1a8r h GLN 151 Cb 1.11 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.68 1a8r h GLN 151 CO 0.39 0.14 0.22 0.93 -1.93 0.00 0.00 178.83 178.58 1a8r h GLU 152 N 0.22 0.40 -0.34 1.69 3.07 -1.99 -1.15 114.58 116.48 1a8r h GLU 152 Ca 0.52 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 59.22 1a8r h GLU 152 Cb 1.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1a8r h GLU 152 CO -0.63 0.26 -0.33 -0.09 -1.40 0.00 0.00 179.01 176.82 1a8r h ARG 153 N 0.41 0.82 -0.36 2.33 2.43 -1.46 -3.07 114.38 115.48 1a8r h ARG 153 Ca 0.29 -0.43 0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1a8r h ARG 153 Cb 0.34 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 1a8r h ARG 153 CO -0.29 1.07 -0.02 1.25 -1.51 0.00 0.00 179.97 180.47 1a8r h LEU 154 N 0.61 -0.19 -0.24 3.80 5.85 -0.39 -0.46 115.31 124.27 1a8r h LEU 154 Ca 0.05 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1a8r h LEU 154 Cb 0.92 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1a8r h LEU 154 CO 0.08 -0.06 0.03 0.74 -0.34 0.00 0.00 178.44 178.89 1a8r h THR 155 N 0.07 0.86 -0.21 1.05 2.02 -1.25 -1.53 112.91 113.92 1a8r h THR 155 Ca 0.17 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.35 1a8r h THR 155 Cb 0.25 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1a8r h THR 155 CO -0.31 0.02 -0.02 1.56 0.37 0.00 0.00 175.52 177.14 1a8r h GLN 156 N 0.11 0.05 -0.36 6.66 1.08 -1.34 -1.89 115.11 119.42 1a8r h GLN 156 Ca 0.11 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.34 1a8r h GLN 156 Cb 0.13 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 1a8r h GLN 156 CO -0.17 0.03 0.16 1.96 -0.95 0.00 0.00 178.83 179.86 1a8r h GLN 157 N 0.05 0.33 -0.65 1.46 4.20 -0.72 -1.83 115.11 117.95 1a8r h GLN 157 Ca 0.10 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.81 1a8r h GLN 157 Cb 0.14 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1a8r h GLN 157 CO -0.19 0.22 0.42 0.82 -0.67 0.00 0.00 178.83 179.44 1a8r h ILE 158 N 0.34 1.13 0.71 2.54 2.04 -1.01 -0.98 117.51 122.28 1a8r h ILE 158 Ca 0.15 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1a8r h ILE 158 Cb 0.08 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1a8r h ILE 158 CO -0.12 0.15 -0.50 0.25 0.00 0.00 0.00 178.15 177.93 1a8r h LEU 159 N 0.84 -1.30 -0.57 1.44 5.85 -0.83 -1.36 115.31 119.39 1a8r h LEU 159 Ca 0.25 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.10 1a8r h LEU 159 Cb -0.05 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1a8r h LEU 159 CO -0.07 -0.73 0.30 0.40 -0.34 0.00 0.00 178.44 177.99 1a8r h ILE 160 N -1.15 0.96 -0.15 4.05 1.08 -1.28 0.88 117.51 121.90 1a8r h ILE 160 Ca -0.09 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.22 1a8r h ILE 160 Cb 0.95 0.34 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 1a8r h ILE 160 CO 0.05 0.10 -0.16 0.00 -0.69 0.00 0.00 178.15 177.46 1a8r h ALA 161 N 1.30 -0.07 -0.29 1.87 0.00 -1.07 -0.06 119.26 120.94 1a8r h ALA 161 Ca 0.25 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1a8r h ALA 161 Cb 0.15 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1a8r h ALA 161 CO -0.16 -0.60 0.09 -0.07 0.00 0.00 0.00 179.25 178.50 1a8r h LEU 162 N -0.19 0.43 -0.31 0.00 3.38 -0.65 -0.66 115.31 117.31 1a8r h LEU 162 Ca 0.10 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1a8r h LEU 162 Cb 0.34 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1a8r h LEU 162 CO -0.26 0.52 -0.16 1.56 0.09 0.00 0.00 178.44 180.19 1a8r h GLN 163 N 0.32 -0.11 0.13 1.13 4.20 -0.45 0.39 115.11 120.72 1a8r h GLN 163 Ca 0.10 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1a8r h GLN 163 Cb 0.24 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1a8r h GLN 163 CO -0.00 -0.08 -0.35 1.15 -0.67 0.00 0.00 178.83 178.88 1a8r h THR 164 N -0.12 0.26 -0.36 -0.54 2.02 -0.77 0.66 112.91 114.05 1a8r h THR 164 Ca 0.16 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1a8r h THR 164 Cb 0.36 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1a8r h THR 164 CO -0.38 0.00 0.08 -0.07 0.37 0.00 0.00 175.52 175.52 1a8r h LEU 165 N -0.59 0.49 0.00 2.58 3.38 -0.50 -2.69 115.31 117.98 1a8r h LEU 165 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 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 -0.20 0.50 -0.66 0.18 0.09 0.00 0.00 178.44 178.34 1a8r n LEU 166 N -4.33 0.69 -3.14 1.67 4.77 0.13 -4.97 117.00 111.82 1a8r n LEU 166 Ca 0.02 0.21 -0.17 0.00 -0.03 0.00 0.00 56.01 56.03 1a8r n LEU 166 Cb 0.19 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1a8r n LEU 166 CO 0.38 -0.05 0.15 0.61 -1.33 0.00 0.00 177.39 177.15 1a8r n GLY 167 N 1.34 -0.30 3.47 -0.72 0.00 0.22 -4.74 105.19 104.47 1a8r n GLY 167 Ca 0.03 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 0.01 -0.86 2.61 2.01 -0.95 -4.89 115.64 110.27 1a8r s THR 168 Ca 0.23 -0.08 0.25 0.00 0.31 0.00 0.00 61.69 62.40 1a8r s THR 168 Cb -0.10 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.54 1a8r s THR 168 CO 0.63 -0.04 1.38 0.59 -0.69 0.00 0.00 174.62 176.48 1a8r n ASN 169 N 1.69 0.55 -3.98 3.53 3.02 -1.26 -4.30 115.26 114.51 1a8r n ASN 169 Ca -0.17 -0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 53.86 1a8r n ASN 169 Cb 0.56 0.23 -0.01 0.00 -0.61 0.00 0.00 39.78 39.96 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 -1.73 4.00 -4.02 6.41 3.02 -1.26 -0.39 115.26 121.29 1a8r n ASN 170 Ca 0.05 -2.84 -0.12 0.00 -0.03 0.00 0.00 54.58 51.64 1a8r n ASN 170 Cb 0.38 -1.64 -0.12 0.00 -0.61 0.00 0.00 39.78 37.79 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 3.96 0.37 -0.01 2.41 1.01 -1.24 -1.98 120.40 124.92 1a8r s VAL 171 Ca 0.51 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1a8r s VAL 171 Cb 0.11 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 36.04 1a8r s VAL 171 CO -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 175.10 174.70 1a8r s ALA 172 N -1.23 0.27 -0.03 5.51 0.00 0.55 0.42 121.76 127.25 1a8r s ALA 172 Ca -0.10 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.84 1a8r s ALA 172 Cb -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 1a8r s ALA 172 CO -0.00 0.03 -0.12 0.08 0.00 0.00 0.00 175.76 175.74 1a8r s VAL 173 N 0.24 1.03 -0.01 0.00 1.01 0.40 -1.69 120.40 121.38 1a8r s VAL 173 Ca -0.02 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1a8r s VAL 173 Cb -0.05 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1a8r s VAL 173 CO -0.01 0.31 -0.01 -0.55 0.00 0.00 0.00 175.10 174.84 1a8r s SER 174 N 0.09 0.30 -0.03 3.32 0.15 -0.67 -0.32 113.70 116.54 1a8r s SER 174 Ca -0.03 -0.03 0.02 0.00 0.70 0.00 0.00 55.95 56.62 1a8r s SER 174 Cb -0.09 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1a8r s SER 174 CO 0.01 -0.03 -0.08 -0.63 1.20 0.00 0.00 173.24 173.71 1a8r s ILE 175 N 0.38 0.76 -0.13 6.45 1.01 0.15 -0.36 121.20 129.45 1a8r s ILE 175 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.32 1a8r s ILE 175 Cb -0.06 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1a8r s ILE 175 CO -0.01 0.25 -0.22 -0.62 0.00 0.00 0.00 174.94 174.34 1a8r s ASP 176 N 0.38 3.15 0.03 3.58 2.15 -0.27 -0.96 116.67 124.73 1a8r s ASP 176 Ca -0.06 -0.59 -0.12 0.00 0.43 0.00 0.00 52.55 52.22 1a8r s ASP 176 Cb -0.10 -1.45 0.01 0.00 -0.30 0.00 0.00 42.92 41.08 1a8r s ASP 176 CO 0.01 0.09 0.25 0.00 -0.17 0.00 0.00 175.17 175.35 1a8r s ALA 177 N 0.73 -0.54 -0.20 3.66 0.00 -0.06 -0.50 121.76 124.85 1a8r s ALA 177 Ca -0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1a8r s ALA 177 Cb -0.16 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1a8r s ALA 177 CO 0.00 -0.34 0.03 0.08 0.00 0.00 0.00 175.76 175.53 1a8r s VAL 178 N -2.19 4.29 -0.35 0.00 1.01 0.40 -0.64 120.40 122.93 1a8r s VAL 178 Ca -0.08 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1a8r s VAL 178 Cb -0.03 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1a8r s VAL 178 CO -0.01 0.42 0.23 -1.00 0.00 0.00 0.00 175.10 174.74 1a8r s HIS 179 N 0.86 3.22 -0.16 5.22 3.76 -1.26 -0.92 115.29 126.01 1a8r s HIS 179 Ca 0.02 -0.41 0.27 0.00 -0.15 0.00 0.00 55.06 54.78 1a8r s HIS 179 Cb -0.14 -2.46 1.28 0.00 1.11 0.00 0.00 32.58 32.37 1a8r s HIS 179 CO 0.02 -0.44 1.80 1.88 -0.85 0.00 0.00 174.74 177.15 1a8r h TYR 180 N 8.48 0.00 0.00 1.40 0.05 -1.43 0.57 116.97 126.03 1a8r h TYR 180 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1a8r h TYR 180 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 1a8r h TYR 180 CO 0.63 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.74 1a8r n VAL 182 N -1.34 1.00 -0.02 0.00 0.31 0.04 -4.43 118.33 113.89 1a8r n VAL 182 Ca 0.11 -0.34 -0.11 0.00 -0.01 0.00 0.00 64.34 63.98 1a8r n VAL 182 Cb 0.23 -1.30 -0.09 0.00 -0.91 0.00 0.00 33.84 31.76 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 -0.20 -0.07 -0.63 5.55 3.64 -1.03 -0.67 116.57 123.17 1a8r h LYS 183 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1a8r h LYS 183 Cb 1.54 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1a8r h LYS 183 CO -0.13 0.56 0.00 0.00 -2.27 0.00 0.00 179.45 177.61 1a8r n ALA 184 N -2.57 3.58 -3.69 5.00 0.00 0.26 -3.71 120.51 119.38 1a8r n ALA 184 Ca -0.08 -1.67 -0.05 0.00 0.00 0.00 0.00 53.44 51.64 1a8r n ALA 184 Cb 0.32 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.39 1.14 6.37 0.00 3.52 -1.23 -4.97 118.95 121.39 1a8r s ARG 185 Ca 0.49 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 1a8r s ARG 185 Cb 0.36 0.42 0.00 0.00 -1.56 0.00 0.00 34.95 34.17 1a8r s ARG 185 CO 0.17 -0.52 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 1a8r n GLY 186 N -0.41 2.53 0.28 8.12 0.00 -1.26 -0.56 105.19 113.88 1a8r n GLY 186 Ca -0.07 0.32 0.16 0.00 0.00 0.00 0.00 46.02 46.43 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 0.21 -6.32 -0.61 6.09 -1.85 -3.47 117.51 111.57 1a8r h ILE 187 Ca 0.00 -0.54 -0.46 0.00 -1.37 0.00 0.00 64.86 62.49 1a8r h ILE 187 Cb 0.00 1.44 0.02 0.00 0.47 0.00 0.00 36.82 38.74 1a8r h ILE 187 CO 0.00 0.06 -0.89 0.54 -3.07 0.00 0.00 178.15 174.79 1a8r n ARG 188 N -3.25 -2.95 -2.86 2.19 1.74 0.27 -4.91 116.66 106.90 1a8r n ARG 188 Ca -0.01 0.47 -0.43 0.00 -0.77 0.00 0.00 57.85 57.11 1a8r n ARG 188 Cb 0.27 -4.53 -0.04 0.00 -1.02 0.00 0.00 32.46 27.14 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 -4.08 6.34 0.54 0.55 -1.08 -0.34 -4.89 116.67 113.72 1a8r s ASP 189 Ca 0.16 -0.36 0.33 0.00 -0.52 0.00 0.00 52.55 52.16 1a8r s ASP 189 Cb -0.06 -2.43 1.31 0.00 -1.46 0.00 0.00 42.92 40.28 1a8r s ASP 189 CO 0.86 -1.20 1.96 0.00 0.52 0.00 0.00 175.17 177.32 1a8r h ALA 190 N 9.28 1.00 0.00 3.66 0.00 -1.86 -3.34 119.26 127.99 1a8r h ALA 190 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.33 1a8r h ALA 190 Cb 1.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1a8r h ALA 190 CO 1.08 0.00 -2.19 0.25 0.00 0.00 0.00 179.25 178.39 1a8r n THR 191 N -3.08 1.19 -1.04 0.00 -2.24 -1.26 -5.05 114.28 102.79 1a8r n THR 191 Ca 0.01 -0.72 -0.31 0.00 -2.27 0.00 0.00 64.05 60.75 1a8r n THR 191 Cb 0.32 -0.57 0.12 0.00 -2.10 0.00 0.00 70.33 68.11 1a8r n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a8r s SER 192 N -5.16 3.77 0.07 3.42 1.04 -1.26 -5.07 113.70 110.50 1a8r s SER 192 Ca -0.09 2.05 -0.13 0.00 0.48 0.00 0.00 55.95 58.26 1a8r s SER 192 Cb 0.05 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.64 1a8r s SER 192 CO 0.70 -2.53 0.29 0.00 0.98 0.00 0.00 173.24 172.68 1a8r s ALA 193 N -2.68 -0.62 -0.08 5.32 0.00 -1.26 -4.81 121.76 117.63 1a8r s ALA 193 Ca 0.65 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.52 1a8r s ALA 193 Cb -0.21 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1a8r s ALA 193 CO 0.55 -0.47 -0.23 0.99 0.00 0.00 0.00 175.76 176.60 1a8r s THR 194 N -3.05 2.23 -0.11 0.00 2.01 0.19 -4.93 115.64 111.98 1a8r s THR 194 Ca -0.01 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.01 1a8r s THR 194 Cb 0.01 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.67 1a8r s THR 194 CO -0.07 0.56 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.36 1a8r s THR 195 N -0.02 2.65 0.03 -0.82 2.01 -1.26 -0.88 115.64 117.34 1a8r s THR 195 Ca -0.07 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.15 1a8r s THR 195 Cb -0.15 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1a8r s THR 195 CO 0.05 0.54 -0.11 0.42 -0.69 0.00 0.00 174.62 174.83 1a8r s THR 196 N 0.28 0.88 0.02 -0.82 -4.23 -0.13 -4.99 115.64 106.66 1a8r s THR 196 Ca -0.13 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1a8r s THR 196 Cb -0.16 -0.82 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 1a8r s THR 196 CO 0.07 -0.05 -0.05 0.42 -0.54 0.00 0.00 174.62 174.47 1a8r s THR 197 N -0.83 0.33 -0.24 3.99 -4.23 -1.26 -0.67 115.64 112.72 1a8r s THR 197 Ca -0.01 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 59.85 1a8r s THR 197 Cb -0.07 -0.37 0.07 0.00 1.34 0.00 0.00 72.50 73.47 1a8r s THR 197 CO 0.01 -0.21 0.03 -0.44 -0.54 0.00 0.00 174.62 173.47 1a8r s SER 198 N -0.90 3.49 -0.26 3.99 0.01 0.57 -4.98 113.70 115.62 1a8r s SER 198 Ca -0.06 -1.16 -0.10 0.00 1.31 0.00 0.00 55.95 55.94 1a8r s SER 198 Cb -0.06 -0.83 -0.05 0.00 0.21 0.00 0.00 66.02 65.29 1a8r s SER 198 CO -0.00 -0.32 0.16 -0.76 0.41 0.00 0.00 173.24 172.73 1a8r s LEU 199 N 1.66 3.97 0.17 2.44 1.43 -1.26 -0.45 118.68 126.64 1a8r s LEU 199 Ca 0.01 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1a8r s LEU 199 Cb -0.18 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1a8r s LEU 199 CO -0.12 0.01 0.00 -0.83 0.23 0.00 0.00 176.35 175.64 1a8r s GLY 200 N 1.40 1.73 0.00 -3.19 0.00 0.17 -4.41 107.32 103.02 1a8r s GLY 200 Ca 0.07 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1a8r s GLY 200 CO 0.07 -1.37 0.00 0.61 0.00 0.00 0.00 173.10 172.41 1a8r n GLY 201 N -0.11 2.95 0.36 0.20 0.00 0.47 -1.34 105.19 107.72 1a8r n GLY 201 Ca -0.10 0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.21 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 0.14 -1.79 0.99 3.38 -1.93 0.28 115.31 116.38 1a8r h LEU 202 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a8r h LEU 202 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1a8r h LEU 202 CO 0.00 0.08 -0.00 -0.26 0.09 0.00 0.00 178.44 178.35 1a8r h PHE 203 N 0.16 0.00 0.00 1.13 0.04 -1.47 0.30 116.94 117.10 1a8r h PHE 203 Ca 0.24 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.61 1a8r h PHE 203 Cb 0.73 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.82 1a8r h PHE 203 CO -0.00 0.00 -2.21 1.17 -0.60 0.00 0.00 178.31 176.67 1a8r n LYS 204 N -3.09 0.58 0.19 1.51 3.00 0.29 -4.20 118.16 116.44 1a8r n LYS 204 Ca -0.00 0.32 -0.12 0.00 -0.00 0.00 0.00 58.31 58.51 1a8r n LYS 204 Cb 0.26 -1.54 -0.07 0.00 0.00 0.00 0.00 35.03 33.68 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 -0.46 -3.52 3.14 0.02 -0.49 -3.44 113.55 107.80 1a8r h SER 205 Ca -0.59 -0.11 -0.60 0.00 -0.84 0.00 0.00 61.79 59.65 1a8r h SER 205 Cb 1.51 0.12 -0.10 0.00 0.14 0.00 0.00 62.40 64.07 1a8r h SER 205 CO -0.36 -0.04 0.56 -0.55 -1.14 0.00 0.00 176.83 175.30 1a8r s SER 206 N -4.96 6.63 0.48 3.07 0.15 0.10 -4.93 113.70 114.24 1a8r s SER 206 Ca -0.12 0.48 0.20 0.00 0.70 0.00 0.00 55.95 57.20 1a8r s SER 206 Cb 0.01 -2.45 1.21 0.00 -1.71 0.00 0.00 66.02 63.08 1a8r s SER 206 CO 0.42 -0.86 2.04 -0.61 1.20 0.00 0.00 173.24 175.43 1a8r h GLN 207 N 8.56 0.00 0.52 5.44 4.15 -1.85 0.16 115.11 132.09 1a8r h GLN 207 Ca -0.24 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 1a8r h GLN 207 Cb 1.08 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.78 1a8r h GLN 207 CO 0.98 0.15 -0.25 -0.97 -1.93 0.00 0.00 178.83 176.80 1a8r h ASN 208 N 0.00 -0.59 -0.13 -0.69 -1.24 -1.91 -0.82 115.58 110.20 1a8r h ASN 208 Ca -0.00 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 1a8r h ASN 208 Cb 0.29 0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 1a8r h ASN 208 CO 0.02 -0.34 0.07 0.74 -1.29 0.00 0.00 177.43 176.63 1a8r h THR 209 N -0.80 1.08 -0.28 -3.57 2.02 -1.69 -2.58 112.91 107.08 1a8r h THR 209 Ca -0.07 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 66.96 1a8r h THR 209 Cb 0.58 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 1a8r h THR 209 CO 0.12 0.07 -0.24 -0.09 0.37 0.00 0.00 175.52 175.75 1a8r h ARG 210 N 0.12 -0.22 0.00 6.66 2.43 -0.63 -1.91 114.38 120.84 1a8r h ARG 210 Ca 0.05 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1a8r h ARG 210 Cb 0.05 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1a8r h ARG 210 CO -0.01 -0.15 -0.14 0.45 -1.51 0.00 0.00 179.97 178.61 1a8r h HIS 211 N -0.23 0.00 -0.25 2.20 3.86 -1.11 -1.19 115.15 118.43 1a8r h HIS 211 Ca 0.15 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 1a8r h HIS 211 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1a8r h HIS 211 CO -0.41 0.14 0.03 0.93 0.86 0.00 0.00 177.93 179.48 1a8r h GLU 212 N 0.00 0.42 0.21 2.45 5.08 -0.95 0.53 114.58 122.31 1a8r h GLU 212 Ca -0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1a8r h GLU 212 Cb 0.75 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1a8r h GLU 212 CO 0.02 0.56 -0.10 0.35 -1.00 0.00 0.00 179.01 178.83 1a8r h PHE 213 N 0.22 -0.26 -0.92 4.33 3.57 -1.17 -2.43 116.94 120.28 1a8r h PHE 213 Ca 0.07 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1a8r h PHE 213 Cb 0.35 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 1a8r h PHE 213 CO 0.02 -0.01 0.61 -0.07 -2.23 0.00 0.00 178.31 176.63 1a8r h LEU 214 N -0.49 1.02 -0.67 0.59 3.38 -1.17 -2.03 115.31 115.94 1a8r h LEU 214 Ca -0.03 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1a8r h LEU 214 Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1a8r h LEU 214 CO 0.05 0.71 0.20 -0.09 0.09 0.00 0.00 178.44 179.40 1a8r h ARG 215 N 1.19 1.06 -0.33 1.13 2.43 -0.87 -2.84 114.38 116.15 1a8r h ARG 215 Ca 0.36 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1a8r h ARG 215 Cb -0.04 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1a8r h ARG 215 CO -0.10 0.92 -0.01 0.00 -1.51 0.00 0.00 179.97 179.28 1a8r h ALA 216 N 1.08 1.37 -2.27 2.80 0.00 -0.91 -3.45 119.26 117.89 1a8r h ALA 216 Ca 0.22 -0.20 -0.59 0.00 0.00 0.00 0.00 54.91 54.33 1a8r h ALA 216 Cb 0.32 -0.14 0.09 0.00 0.00 0.00 0.00 17.79 18.05 1a8r h ALA 216 CO -0.00 0.43 0.53 0.28 0.00 0.00 0.00 179.25 180.49 1a8r n VAL 217 N -4.28 1.17 -2.56 0.00 0.31 -0.81 -4.30 118.33 107.85 1a8r n VAL 217 Ca 0.01 -0.29 -0.02 0.00 -0.01 0.00 0.00 64.34 64.04 1a8r n VAL 217 Cb 0.25 -1.39 -0.01 0.00 -0.91 0.00 0.00 33.84 31.77 1a8r n VAL 217 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1a8r n ARG 218 N 1.70 -3.49 -3.81 5.55 3.00 -1.26 -5.04 116.66 113.30 1a8r n ARG 218 Ca 0.11 2.78 -0.30 0.00 -0.00 0.00 0.00 57.85 60.44 1a8r n ARG 218 Cb 0.31 -4.90 -0.15 0.00 0.00 0.00 0.00 32.46 27.72 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 -1.21 1.95 -0.34 -0.14 3.76 -1.26 -5.09 115.29 112.96 1a8r s HIS 219 Ca -0.08 -1.70 -0.35 0.00 -0.15 0.00 0.00 55.06 52.77 1a8r s HIS 219 Cb 0.01 -1.68 -0.11 0.00 1.11 0.00 0.00 32.58 31.90 1a8r s HIS 219 CO 0.72 -0.81 2.17 0.72 -0.85 0.00 0.00 174.74 176.69 1a8r n HIS 220 N 4.78 1.62 -0.19 1.40 8.25 -1.26 -5.03 115.22 124.79 1a8r n HIS 220 Ca -0.05 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 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