#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 -4.77 3.54 2.88 -1.26 -5.15 113.62 108.86 1a8r n SER 2 Ca 0.00 -0.17 -0.38 0.00 -1.33 0.00 0.00 58.87 56.99 1a8r n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 4.18 0.96 2.46 1.43 -1.26 -5.01 118.68 121.44 1a8r s LEU 3 Ca 0.00 2.34 -0.12 0.00 -1.03 0.00 0.00 54.13 55.32 1a8r s LEU 3 Cb 0.00 -4.04 0.17 0.00 0.03 0.00 0.00 46.19 42.35 1a8r s LEU 3 CO 0.00 -0.68 1.09 -0.94 0.23 0.00 0.00 176.35 176.04 1a8r s SER 4 N -1.16 2.84 0.23 2.29 1.04 -1.26 -4.78 113.70 112.90 1a8r s SER 4 Ca 0.57 1.51 -0.07 0.00 0.48 0.00 0.00 55.95 58.44 1a8r s SER 4 Cb -0.30 -2.18 0.24 0.00 0.10 0.00 0.00 66.02 63.88 1a8r s SER 4 CO 0.38 -3.04 1.89 0.11 0.98 0.00 0.00 173.24 173.56 1a8r h LYS 5 N -1.82 1.09 -0.27 4.02 1.57 -1.99 -1.47 116.57 117.69 1a8r h LYS 5 Ca -0.52 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.14 1a8r h LYS 5 Cb 1.30 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1a8r h LYS 5 CO 0.53 0.72 -0.05 0.93 -0.57 0.00 0.00 179.45 181.01 1a8r h GLU 6 N 1.12 0.51 -0.54 3.15 3.07 -1.97 -1.15 114.58 118.77 1a8r h GLU 6 Ca 0.34 -0.19 0.07 0.00 -0.50 0.00 0.00 59.36 59.08 1a8r h GLU 6 Cb -0.04 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.78 1a8r h GLU 6 CO -0.10 0.71 0.22 0.00 -1.40 0.00 0.00 179.01 178.45 1a8r h ALA 7 N 0.78 0.69 0.64 3.43 0.00 -1.82 -0.45 119.26 122.53 1a8r h ALA 7 Ca 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1a8r h ALA 7 Cb 0.52 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1a8r h ALA 7 CO 0.02 -0.16 -0.31 0.00 0.00 0.00 0.00 179.25 178.81 1a8r h ALA 8 N 1.34 -0.86 -0.57 0.00 0.00 -1.13 -0.88 119.26 117.16 1a8r h ALA 8 Ca 0.26 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1a8r h ALA 8 Cb 0.25 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1a8r h ALA 8 CO -0.23 -0.95 0.20 -0.07 0.00 0.00 0.00 179.25 178.19 1a8r h LEU 9 N -0.91 0.18 -0.07 0.00 3.38 -0.92 -0.17 115.31 116.80 1a8r h LEU 9 Ca -0.09 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1a8r h LEU 9 Cb 0.67 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1a8r h LEU 9 CO 0.14 0.12 0.04 0.58 0.09 0.00 0.00 178.44 179.41 1a8r h VAL 10 N 0.37 1.08 -0.70 1.22 2.07 -1.02 0.36 116.25 119.64 1a8r h VAL 10 Ca 0.28 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1a8r h VAL 10 Cb 0.34 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1a8r h VAL 10 CO -0.29 0.07 0.44 -0.74 0.02 0.00 0.00 177.57 177.07 1a8r h HIS 11 N 0.02 0.83 0.30 1.57 -0.00 -0.83 -0.69 115.15 116.36 1a8r h HIS 11 Ca 0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1a8r h HIS 11 Cb 0.08 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 1a8r h HIS 11 CO -0.04 0.49 -0.15 0.93 -0.00 0.00 0.00 177.93 179.16 1a8r h GLU 12 N 0.88 -0.40 -0.53 5.26 5.08 -0.77 -0.96 114.58 123.14 1a8r h GLU 12 Ca 0.27 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.75 1a8r h GLU 12 Cb -0.01 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 1a8r h GLU 12 CO -0.10 -0.26 0.12 0.00 -1.00 0.00 0.00 179.01 177.77 1a8r h ALA 13 N 0.29 0.61 -0.54 3.43 0.00 -0.52 0.67 119.26 123.21 1a8r h ALA 13 Ca -0.04 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1a8r h ALA 13 Cb 0.32 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1a8r h ALA 13 CO 0.06 -0.29 0.22 -0.07 0.00 0.00 0.00 179.25 179.17 1a8r h LEU 14 N 0.26 0.75 -0.46 0.00 3.38 -0.95 -1.16 115.31 117.13 1a8r h LEU 14 Ca 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1a8r h LEU 14 Cb 0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1a8r h LEU 14 CO -0.34 0.71 0.25 0.58 0.09 0.00 0.00 178.44 179.73 1a8r h VAL 15 N 0.74 1.17 -0.48 1.22 2.07 -0.32 0.14 116.25 120.78 1a8r h VAL 15 Ca 0.18 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1a8r h VAL 15 Cb 0.19 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1a8r h VAL 15 CO -0.02 0.18 0.11 0.00 0.02 0.00 0.00 177.57 177.86 1a8r h ALA 16 N 1.09 0.54 0.00 1.67 0.00 -0.50 0.63 119.26 122.69 1a8r h ALA 16 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1a8r h ALA 16 Cb 0.06 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1a8r h ALA 16 CO -0.02 -0.30 0.00 0.54 0.00 0.00 0.00 179.25 179.47 1a8r n ARG 17 N -5.09 0.82 -2.59 0.00 3.00 -0.47 -4.89 116.66 107.43 1a8r n ARG 17 Ca 0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.73 1a8r n ARG 17 Cb 0.22 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.20 1a8r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1a8r n GLY 18 N 0.94 -0.26 0.75 -0.13 0.00 0.21 -4.91 105.19 101.78 1a8r n GLY 18 Ca 0.20 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.76 2.54 -4.76 0.99 4.77 0.34 -5.01 117.00 113.11 1a8r n LEU 19 Ca -0.13 -0.95 -0.36 0.00 -0.03 0.00 0.00 56.01 54.54 1a8r n LEU 19 Cb 0.62 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.73 1a8r n LEU 19 CO 0.30 0.44 0.83 -1.61 -1.33 0.00 0.00 177.39 176.02 1a8r s GLU 20 N -1.85 3.07 0.28 3.23 0.41 -1.23 -4.82 118.70 117.78 1a8r s GLU 20 Ca 0.23 1.79 -0.29 0.00 -0.41 0.00 0.00 54.97 56.28 1a8r s GLU 20 Cb 0.17 -1.96 -0.10 0.00 -1.78 0.00 0.00 34.13 30.47 1a8r s GLU 20 CO 0.32 -1.12 1.29 0.99 -0.49 0.00 0.00 175.26 176.25 1a8r s THR 21 N -1.62 2.96 -0.81 3.63 2.01 -1.26 -4.82 115.64 115.73 1a8r s THR 21 Ca 0.76 0.89 -0.18 0.00 0.31 0.00 0.00 61.69 63.47 1a8r s THR 21 Cb -0.29 -3.57 -0.20 0.00 0.01 0.00 0.00 72.50 68.46 1a8r s THR 21 CO 0.32 0.18 2.11 -2.65 -0.69 0.00 0.00 174.62 173.89 1a8r n PRO 22 N 1.55 0.25 -4.86 4.92 -0.02 -1.26 -4.87 135.00 130.71 1a8r n PRO 22 Ca 0.02 -0.69 -0.25 0.00 -2.02 0.00 0.00 63.50 60.56 1a8r n PRO 22 Cb 0.42 -2.70 -0.15 0.00 -0.02 0.00 0.00 33.50 31.05 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 9.60 2.03 0.03 2.45 2.96 -1.26 -5.14 118.68 129.35 1a8r s LEU 23 Ca 0.90 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.37 1a8r s LEU 23 Cb -0.29 -0.93 -0.06 0.00 0.50 0.00 0.00 46.19 45.42 1a8r s LEU 23 CO 0.22 0.22 0.38 -0.13 -1.32 0.00 0.00 176.35 175.72 1a8r s ARG 24 N -0.39 3.79 0.66 1.98 0.52 -1.26 -5.07 118.95 119.17 1a8r s ARG 24 Ca 0.06 0.24 -0.17 0.00 -0.52 0.00 0.00 55.73 55.34 1a8r s ARG 24 Cb -0.07 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 1a8r s ARG 24 CO -0.01 0.64 1.14 -2.30 0.02 0.00 0.00 175.30 174.80 1a8r n PRO 25 N 1.40 0.91 -1.53 3.54 -0.02 -1.26 -4.76 135.00 133.26 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 -2.37 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.72 0.38 -0.16 0.52 -0.02 -1.26 -4.77 135.00 127.97 1a8r n PRO 26 Ca 0.15 -0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.21 1a8r n PRO 26 Cb 0.48 -2.57 0.19 0.00 -0.02 0.00 0.00 33.50 31.59 1a8r n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1a8r h VAL 27 N 7.49 1.22 -2.87 -1.45 2.07 -2.04 -3.43 116.25 117.23 1a8r h VAL 27 Ca -0.02 -0.73 -0.14 0.00 0.82 0.00 0.00 66.70 66.63 1a8r h VAL 27 Cb 1.10 0.54 -0.26 0.00 -1.52 0.00 0.00 31.29 31.15 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 -5.35 -0.42 -1.48 1.57 3.76 -1.26 -5.05 115.29 107.06 1a8r s HIS 28 Ca -0.10 0.98 -0.10 0.00 -0.15 0.00 0.00 55.06 55.68 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 -0.22 2.49 0.39 -0.85 0.00 0.00 174.74 177.35 1a8r n GLU 29 N 3.40 3.57 -3.33 1.40 1.02 -1.26 -4.93 120.64 120.51 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 -2.94 -0.06 0.00 -0.02 0.00 0.00 31.44 28.98 1a8r n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1a8r s MET 30 N 1.70 4.22 0.32 3.49 1.75 -1.26 -5.03 119.30 124.49 1a8r s MET 30 Ca 0.56 0.52 -0.29 0.00 -1.25 0.00 0.00 55.69 55.23 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 0.37 1.57 0.34 -0.65 0.00 0.00 175.02 176.59 1a8r s ASP 31 N -0.09 6.34 0.41 1.11 -1.08 -1.26 -4.89 116.67 117.21 1a8r s ASP 31 Ca 0.27 3.01 0.23 0.00 -0.52 0.00 0.00 52.55 55.54 1a8r s ASP 31 Cb -0.16 -2.65 1.25 0.00 -1.46 0.00 0.00 42.92 39.90 1a8r s ASP 31 CO 0.13 -0.92 1.70 0.78 0.52 0.00 0.00 175.17 177.38 1a8r h ASN 32 N 4.25 0.35 -0.98 -0.34 4.21 -2.00 -1.14 115.58 119.93 1a8r h ASN 32 Ca -0.48 0.11 0.09 0.00 1.21 0.00 0.00 56.30 57.23 1a8r h ASN 32 Cb 1.23 0.07 -0.07 0.00 -1.12 0.00 0.00 38.32 38.42 1a8r h ASN 32 CO 0.75 -0.05 0.63 -0.33 -1.29 0.00 0.00 177.43 177.14 1a8r h GLU 33 N 0.25 1.02 -0.25 0.81 5.08 -1.99 0.87 114.58 120.37 1a8r h GLU 33 Ca 0.70 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.83 1a8r h GLU 33 Cb 1.99 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1a8r h GLU 33 CO -0.36 0.68 -0.51 1.15 -1.00 0.00 0.00 179.01 178.96 1a8r h THR 34 N 1.05 1.29 -0.32 1.13 2.02 -1.57 -0.81 112.91 115.70 1a8r h THR 34 Ca 0.45 -1.71 0.02 0.00 0.77 0.00 0.00 66.41 65.94 1a8r h THR 34 Cb 0.32 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1a8r h THR 34 CO -0.20 0.55 0.17 0.03 0.37 0.00 0.00 175.52 176.43 1a8r h ARG 35 N 0.55 0.33 -0.60 6.66 3.08 -1.30 -0.08 114.38 123.02 1a8r h ARG 35 Ca 0.01 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1a8r h ARG 35 Cb 1.12 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 1a8r h ARG 35 CO 0.11 0.22 0.38 0.87 -1.07 0.00 0.00 179.97 180.48 1a8r h LYS 36 N 0.34 0.72 -0.70 0.04 1.57 -0.73 0.14 116.57 117.96 1a8r h LYS 36 Ca 0.13 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1a8r h LYS 36 Cb 0.04 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1a8r h LYS 36 CO -0.08 0.48 0.34 0.66 -0.57 0.00 0.00 179.45 180.28 1a8r h SER 37 N 0.75 0.90 -0.13 0.86 4.64 -0.53 0.24 113.55 120.27 1a8r h SER 37 Ca 0.24 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1a8r h SER 37 Cb -0.00 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1a8r h SER 37 CO -0.09 0.78 0.04 -0.07 -0.87 0.00 0.00 176.83 176.62 1a8r h LEU 38 N 0.97 0.20 -0.28 5.97 3.38 -0.48 -1.11 115.31 123.95 1a8r h LEU 38 Ca 0.24 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1a8r h LEU 38 Cb 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1a8r h LEU 38 CO -0.03 0.35 0.17 0.40 0.09 0.00 0.00 178.44 179.41 1a8r h ILE 39 N 0.03 1.11 -0.63 1.22 2.04 -0.56 -1.81 117.51 118.92 1a8r h ILE 39 Ca 0.04 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.73 1a8r h ILE 39 Cb 0.22 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1a8r h ILE 39 CO -0.00 0.10 0.28 0.00 0.00 0.00 0.00 178.15 178.53 1a8r h ALA 40 N 1.06 0.83 -0.24 1.87 0.00 -0.40 -0.47 119.26 121.91 1a8r h ALA 40 Ca 0.10 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1a8r h ALA 40 Cb 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1a8r h ALA 40 CO -0.02 -0.12 0.08 0.78 0.00 0.00 0.00 179.25 179.97 1a8r h GLY 41 N 0.49 0.29 0.79 0.00 0.00 -0.77 0.14 103.07 104.02 1a8r h GLY 41 Ca 0.31 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.63 1a8r h GLY 41 CO -0.27 0.03 0.49 0.45 0.00 0.00 0.00 176.54 177.24 1a8r h HIS 42 N 0.19 0.91 -0.38 5.60 -0.00 -0.43 -1.15 115.15 119.89 1a8r h HIS 42 Ca 0.10 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.43 1a8r h HIS 42 Cb 0.07 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.17 1a8r h HIS 42 CO -0.12 0.49 -0.05 0.52 -0.00 0.00 0.00 177.93 178.77 1a8r h MET 43 N 0.92 0.63 -0.36 2.45 2.86 -0.51 -0.87 114.93 120.05 1a8r h MET 43 Ca 0.33 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1a8r h MET 43 Cb 0.09 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1a8r h MET 43 CO -0.14 0.69 0.21 1.15 1.06 0.00 0.00 176.91 179.87 1a8r h THR 44 N 0.59 1.13 0.12 2.22 2.02 0.13 -0.60 112.91 118.52 1a8r h THR 44 Ca 0.11 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1a8r h THR 44 Cb 0.45 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1a8r h THR 44 CO 0.02 0.14 -0.11 -0.33 0.37 0.00 0.00 175.52 175.61 1a8r h GLU 45 N 0.46 -0.24 -0.47 6.66 4.39 -0.84 -1.34 114.58 123.21 1a8r h GLU 45 Ca 0.13 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.93 1a8r h GLU 45 Cb 0.04 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 1a8r h GLU 45 CO -0.02 -0.16 0.07 0.82 -1.16 0.00 0.00 179.01 178.56 1a8r h ILE 46 N -0.24 0.71 -0.26 3.13 2.04 -0.91 0.10 117.51 122.07 1a8r h ILE 46 Ca -0.00 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1a8r h ILE 46 Cb 0.23 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1a8r h ILE 46 CO -0.02 0.03 -0.04 0.24 0.00 0.00 0.00 178.15 178.37 1a8r h MET 47 N 0.19 0.41 -0.41 2.37 2.86 -0.92 -1.43 114.93 118.00 1a8r h MET 47 Ca 0.23 -0.09 -0.15 0.00 -2.06 0.00 0.00 59.70 57.64 1a8r h MET 47 Cb 0.32 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1a8r h MET 47 CO -0.33 0.47 -0.34 1.96 1.06 0.00 0.00 176.91 179.74 1a8r h GLN 48 N 0.39 0.95 0.00 1.72 4.20 0.01 0.24 115.11 122.62 1a8r h GLN 48 Ca 0.08 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 1a8r h GLN 48 Cb 0.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1a8r h GLN 48 CO 0.01 1.13 -0.05 -0.07 -0.67 0.00 0.00 178.83 179.19 1a8r h LEU 49 N 0.77 0.00 -0.82 1.46 3.38 -0.03 0.26 115.31 120.33 1a8r h LEU 49 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a8r h LEU 49 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1a8r h LEU 49 CO 0.09 0.05 -0.08 0.18 0.09 0.00 0.00 178.44 178.77 1a8r n LEU 50 N -3.87 1.36 -2.22 1.67 4.77 -0.62 -4.94 117.00 113.16 1a8r n LEU 50 Ca -0.03 -0.43 -0.17 0.00 -0.03 0.00 0.00 56.01 55.35 1a8r n LEU 50 Cb 0.14 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1a8r n LEU 50 CO 0.29 0.23 -0.08 0.59 -1.33 0.00 0.00 177.39 177.09 1a8r n ASN 51 N -0.08 -5.08 -4.78 -1.43 3.02 0.91 -5.00 115.26 102.82 1a8r n ASN 51 Ca 0.17 -0.14 -0.39 0.00 -0.03 0.00 0.00 54.58 54.18 1a8r n ASN 51 Cb 0.35 -4.03 -0.06 0.00 -0.61 0.00 0.00 39.78 35.44 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 -5.14 4.57 -1.04 3.41 1.43 0.00 -4.98 118.68 116.93 1a8r s LEU 52 Ca 0.14 1.62 -0.20 0.00 -1.03 0.00 0.00 54.13 54.66 1a8r s LEU 52 Cb -0.06 -3.31 0.09 0.00 0.03 0.00 0.00 46.19 42.93 1a8r s LEU 52 CO 0.18 0.20 1.39 -0.62 0.23 0.00 0.00 176.35 177.72 1a8r s ASP 53 N -1.19 6.63 0.00 2.29 2.15 -1.26 -4.60 116.67 120.68 1a8r s ASP 53 Ca 0.36 -1.88 0.00 0.00 0.43 0.00 0.00 52.55 51.47 1a8r s ASP 53 Cb -0.22 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1a8r s ASP 53 CO 0.25 -1.27 0.84 0.18 -0.17 0.00 0.00 175.17 175.00 1a8r n LEU 54 N 7.86 0.00 0.13 -1.34 4.77 -1.26 -1.00 117.00 126.15 1a8r n LEU 54 Ca 0.32 0.35 -0.01 0.00 -0.03 0.00 0.00 56.01 56.64 1a8r n LEU 54 Cb 0.49 -0.35 0.12 0.00 -2.33 0.00 0.00 43.42 41.36 1a8r n LEU 54 CO 0.62 -0.35 0.44 0.00 -1.33 0.00 0.00 177.39 176.78 1a8r h ALA 55 N 1.84 0.82 -2.73 -1.18 0.00 -1.93 -3.16 119.26 112.93 1a8r h ALA 55 Ca 0.00 -0.60 -0.53 0.00 0.00 0.00 0.00 54.91 53.78 1a8r h ALA 55 Cb 0.06 -0.11 0.07 0.00 0.00 0.00 0.00 17.79 17.81 1a8r h ALA 55 CO 0.00 0.83 0.91 0.34 0.00 0.00 0.00 179.25 181.32 1a8r s ASP 56 N -6.73 6.44 0.40 0.00 2.15 -0.17 -4.76 116.67 114.00 1a8r s ASP 56 Ca -0.00 2.85 0.17 0.00 0.43 0.00 0.00 52.55 56.00 1a8r s ASP 56 Cb 0.11 -2.62 1.07 0.00 -0.30 0.00 0.00 42.92 41.19 1a8r s ASP 56 CO 0.76 -0.89 1.81 -2.24 -0.17 0.00 0.00 175.17 174.43 1a8r h ASP 57 N 5.67 0.46 0.95 -0.34 2.03 -1.89 0.15 116.42 123.44 1a8r h ASP 57 Ca -0.45 0.07 -0.07 0.00 -0.73 0.00 0.00 57.03 55.85 1a8r h ASP 57 Cb 1.21 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.69 1a8r h ASP 57 CO 0.85 0.14 -0.31 -1.28 -1.03 0.00 0.00 179.24 177.61 1a8r h SER 58 N 0.43 0.00 0.00 4.15 0.87 -1.95 -3.31 113.55 113.74 1a8r h SER 58 Ca 0.54 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 61.02 1a8r h SER 58 Cb 1.33 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.28 1a8r h SER 58 CO -0.25 0.31 -1.92 0.18 -0.53 0.00 0.00 176.83 174.62 1a8r n LEU 59 N -3.44 0.00 -0.26 2.23 4.77 0.26 -4.66 117.00 115.90 1a8r n LEU 59 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1a8r n LEU 59 Cb 0.49 0.12 0.14 0.00 -2.33 0.00 0.00 43.42 41.84 1a8r n LEU 59 CO 0.35 0.12 0.78 -0.03 -1.33 0.00 0.00 177.39 177.28 1a8r h MET 60 N 0.00 0.06 -0.01 3.23 4.05 -0.83 -1.97 114.93 119.45 1a8r h MET 60 Ca -0.13 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1a8r h MET 60 Cb 1.17 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 1a8r h MET 60 CO 0.01 0.04 -0.16 0.39 0.23 0.00 0.00 176.91 177.42 1a8r n GLU 61 N -5.41 1.05 -0.02 0.39 -0.58 -1.26 -4.46 120.64 110.35 1a8r n GLU 61 Ca 0.13 -0.57 -0.09 0.00 -0.42 0.00 0.00 57.16 56.21 1a8r n GLU 61 Cb 0.46 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.82 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 1.39 0.54 -0.88 2.62 2.02 -1.62 -0.50 112.91 116.47 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 0.47 0.54 -0.10 0.00 -1.74 0.00 0.00 68.15 67.32 1a8r h THR 62 CO 0.00 0.00 0.46 -0.65 0.37 0.00 0.00 175.52 175.70 1a8r h PRO 63 N -0.19 0.60 -0.35 6.66 0.11 -1.78 0.19 132.00 137.23 1a8r h PRO 63 Ca 0.11 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 1a8r h PRO 63 Cb 0.36 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1a8r h PRO 63 CO -0.29 0.40 -0.04 1.25 -0.21 0.00 0.00 178.00 179.10 1a8r h HIS 64 N 0.62 0.73 -0.78 0.65 -0.00 -1.71 -1.46 115.15 113.19 1a8r h HIS 64 Ca 0.49 -0.14 -0.02 0.00 -0.00 0.00 0.00 60.37 60.70 1a8r h HIS 64 Cb 0.73 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.92 1a8r h HIS 64 CO -0.08 0.79 0.41 0.00 -0.00 0.00 0.00 177.93 179.04 1a8r h ARG 65 N 0.45 1.09 -0.28 5.26 3.08 0.62 0.21 114.38 124.82 1a8r h ARG 65 Ca 0.09 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 1a8r h ARG 65 Cb 0.53 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1a8r h ARG 65 CO 0.03 0.81 -0.39 0.82 -1.07 0.00 0.00 179.97 180.17 1a8r h ILE 66 N 1.09 1.30 -0.15 2.04 2.04 -0.62 -1.07 117.51 122.15 1a8r h ILE 66 Ca 0.27 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1a8r h ILE 66 Cb 0.05 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1a8r h ILE 66 CO -0.04 0.50 0.10 0.00 0.00 0.00 0.00 178.15 178.71 1a8r h ALA 67 N 0.68 0.19 -0.97 1.87 0.00 -0.89 -0.88 119.26 119.25 1a8r h ALA 67 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1a8r h ALA 67 Cb 0.98 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1a8r h ALA 67 CO 0.09 -0.32 0.64 -0.22 0.00 0.00 0.00 179.25 179.45 1a8r h LYS 68 N 0.19 1.26 -0.28 0.00 3.64 -0.93 -1.73 116.57 118.72 1a8r h LYS 68 Ca 0.05 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1a8r h LYS 68 Cb -0.01 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 1a8r h LYS 68 CO -0.01 0.84 0.05 1.98 -2.27 0.00 0.00 179.45 180.03 1a8r h MET 69 N 1.30 0.46 0.06 1.90 4.05 -0.73 0.20 114.93 122.17 1a8r h MET 69 Ca 0.36 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.66 1a8r h MET 69 Cb -0.12 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.62 1a8r h MET 69 CO -0.09 0.56 -0.03 1.88 0.23 0.00 0.00 176.91 179.47 1a8r h TYR 70 N 0.28 -0.08 0.40 1.39 0.05 -0.97 0.22 116.97 118.26 1a8r h TYR 70 Ca 0.08 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1a8r h TYR 70 Cb 0.33 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.10 1a8r h TYR 70 CO 0.02 0.19 -0.19 0.28 -1.05 0.00 0.00 178.16 177.41 1a8r h VAL 71 N -0.34 0.06 0.00 -2.88 2.07 -1.36 -3.28 116.25 110.51 1a8r h VAL 71 Ca -0.01 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 1a8r h VAL 71 Cb 0.30 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1a8r h VAL 71 CO 0.01 0.02 -0.84 0.44 0.02 0.00 0.00 177.57 177.22 1a8r h ASP 72 N -1.13 0.00 0.00 0.57 3.32 -0.76 -3.40 116.42 115.02 1a8r h ASP 72 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1a8r h ASP 72 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1a8r h ASP 72 CO 0.09 0.41 0.00 -0.62 -1.72 0.00 0.00 179.24 177.40 1a8r n GLU 73 N -3.02 0.00 0.19 3.56 1.02 -0.55 -4.62 120.64 117.21 1a8r n GLU 73 Ca -0.02 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.30 1a8r n GLU 73 Cb 0.73 0.00 0.79 0.00 -0.02 0.00 0.00 31.44 32.93 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 0.27 -0.20 -3.67 3.07 -1.25 -1.38 117.51 114.35 1a8r h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1a8r h ILE 74 Cb 0.00 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 37.23 1a8r h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1a8r n PHE 75 N -3.46 0.70 0.27 0.16 3.72 -1.24 -2.74 117.46 114.87 1a8r n PHE 75 Ca 0.03 -0.89 0.16 0.00 -0.05 0.00 0.00 57.45 56.70 1a8r n PHE 75 Cb 0.50 -0.26 0.88 0.00 -0.94 0.00 0.00 39.48 39.65 1a8r n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1a8r h SER 76 N 1.38 0.00 0.46 4.37 4.64 -1.19 -1.16 113.55 122.06 1a8r h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a8r h SER 76 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1a8r h SER 76 CO 0.16 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1a8r n GLY 77 N -1.36 -1.00 0.22 -0.77 0.00 0.00 -2.04 105.19 100.25 1a8r n GLY 77 Ca -0.01 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -8.57 0.99 3.38 -1.31 -3.41 115.31 106.38 1a8r h LEU 78 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1a8r h LEU 78 Cb 0.23 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.76 1a8r h LEU 78 CO 0.00 0.22 -0.52 -0.62 0.09 0.00 0.00 178.44 177.61 1a8r s ASP 79 N -6.18 5.74 0.00 -0.43 2.15 -0.87 -4.96 116.67 112.12 1a8r s ASP 79 Ca 0.01 -0.59 0.05 0.00 0.43 0.00 0.00 52.55 52.45 1a8r s ASP 79 Cb 0.10 -2.05 0.23 0.00 -0.30 0.00 0.00 42.92 40.90 1a8r s ASP 79 CO 0.64 -0.25 0.98 -1.22 -0.17 0.00 0.00 175.17 175.15 1a8r n TYR 80 N 5.03 0.00 0.62 -5.34 4.02 -1.26 -0.76 117.16 119.46 1a8r n TYR 80 Ca -0.13 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.86 1a8r n TYR 80 Cb 0.49 -0.28 0.44 0.00 -0.02 0.00 0.00 39.34 39.96 1a8r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a8r n ALA 81 N -1.28 1.90 0.13 -0.72 0.00 -1.26 -1.84 120.51 117.44 1a8r n ALA 81 Ca 0.02 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1a8r n ALA 81 Cb 0.04 -1.35 0.22 0.00 0.00 0.00 0.00 19.45 18.35 1a8r n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1a8r n ASN 82 N -1.74 3.43 -4.77 0.00 3.02 0.06 -4.98 115.26 110.27 1a8r n ASN 82 Ca 0.04 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.22 1a8r n ASN 82 Cb 0.26 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.31 2.68 0.56 3.10 5.36 -0.77 -4.93 117.98 122.66 1a8r s PHE 83 Ca 0.38 1.17 -0.20 0.00 -0.96 0.00 0.00 56.93 57.32 1a8r s PHE 83 Cb 0.22 -3.97 -0.04 0.00 -0.34 0.00 0.00 43.02 38.88 1a8r s PHE 83 CO 0.29 -2.86 1.25 -1.25 -1.46 0.00 0.00 175.22 171.19 1a8r s PRO 84 N -1.89 3.14 -0.13 10.12 0.04 -1.26 -4.95 135.00 140.07 1a8r s PRO 84 Ca 0.53 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 63.22 1a8r s PRO 84 Cb -0.45 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 1a8r s PRO 84 CO 0.60 -1.10 1.24 0.15 0.04 0.00 0.00 177.00 177.93 1a8r s LYS 85 N -3.09 4.28 -0.11 4.56 1.02 -1.26 -4.93 119.74 120.20 1a8r s LYS 85 Ca 0.74 1.66 -0.15 0.00 0.02 0.00 0.00 55.97 58.23 1a8r s LYS 85 Cb -0.33 -3.69 -0.05 0.00 -0.52 0.00 0.00 37.83 33.24 1a8r s LYS 85 CO 0.38 -0.61 0.37 0.42 -0.92 0.00 0.00 175.35 174.99 1a8r s ILE 86 N 3.03 5.21 -0.04 2.17 -1.09 -1.26 -4.95 121.20 124.28 1a8r s ILE 86 Ca 0.55 0.73 0.03 0.00 -2.23 0.00 0.00 60.65 59.73 1a8r s ILE 86 Cb -0.23 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1a8r s ILE 86 CO 0.17 0.42 -0.13 0.42 -1.23 0.00 0.00 174.94 174.60 1a8r s THR 87 N 0.09 1.07 0.18 2.92 -4.23 -1.26 -5.08 115.64 109.33 1a8r s THR 87 Ca 0.21 -0.51 0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1a8r s THR 87 Cb -0.14 -0.94 -0.05 0.00 1.34 0.00 0.00 72.50 72.71 1a8r s THR 87 CO 0.08 0.32 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.64 1a8r s LEU 88 N 0.18 2.47 0.06 4.79 1.43 -1.26 -1.24 118.68 125.11 1a8r s LEU 88 Ca -0.04 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.03 1a8r s LEU 88 Cb -0.10 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1a8r s LEU 88 CO 0.01 -0.34 -0.09 0.27 0.23 0.00 0.00 176.35 176.43 1a8r s ILE 89 N -3.28 0.75 0.24 -0.59 -4.36 0.43 -4.94 121.20 109.44 1a8r s ILE 89 Ca 0.20 -1.33 -0.31 0.00 -0.26 0.00 0.00 60.65 58.95 1a8r s ILE 89 Cb 0.03 -0.96 -0.12 0.00 1.25 0.00 0.00 42.46 42.66 1a8r s ILE 89 CO 0.03 -0.44 1.69 1.21 0.24 0.00 0.00 174.94 177.67 1a8r n GLU 90 N 1.09 2.77 -0.86 0.37 2.13 -1.26 -0.50 120.64 124.38 1a8r n GLU 90 Ca -0.20 1.00 -0.19 0.00 0.66 0.00 0.00 57.16 58.42 1a8r n GLU 90 Cb 0.56 -2.82 -0.07 0.00 0.27 0.00 0.00 31.44 29.37 1a8r n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1a8r n ASN 91 N 3.33 5.26 0.28 4.31 5.15 0.26 -4.48 115.26 129.37 1a8r n ASN 91 Ca 0.13 -2.33 0.14 0.00 -0.60 0.00 0.00 54.58 51.92 1a8r n ASN 91 Cb 0.36 -1.18 0.81 0.00 -0.53 0.00 0.00 39.78 39.24 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 4.82 0.00 0.00 1.20 1.57 -1.88 0.46 116.57 122.74 1a8r h LYS 92 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1a8r h LYS 92 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1a8r h LYS 92 CO 0.97 0.07 0.00 0.52 -0.57 0.00 0.00 179.45 180.44 1a8r h MET 93 N 0.00 0.00 -5.85 3.15 2.86 -2.00 -3.46 114.93 109.64 1a8r h MET 93 Ca -0.00 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.26 1a8r h MET 93 Cb 0.19 0.00 0.12 0.00 0.06 0.00 0.00 31.60 31.98 1a8r h MET 93 CO 0.01 0.00 -0.75 1.63 1.06 0.00 0.00 176.91 178.86 1a8r n LYS 94 N -2.81 -6.71 -2.62 1.72 5.02 0.15 -4.92 118.16 107.98 1a8r n LYS 94 Ca -0.00 0.78 -0.43 0.00 -2.02 0.00 0.00 58.31 56.65 1a8r n LYS 94 Cb 0.21 -5.74 -0.02 0.00 -0.02 0.00 0.00 35.03 29.46 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 -3.39 4.62 -0.15 -0.18 1.01 -1.26 -4.90 120.40 116.15 1a8r s VAL 95 Ca 0.26 1.93 0.16 0.00 0.00 0.00 0.00 61.98 64.33 1a8r s VAL 95 Cb -0.12 -4.24 0.43 0.00 0.00 0.00 0.00 36.38 32.45 1a8r s VAL 95 CO 0.75 -0.09 1.20 -0.90 0.00 0.00 0.00 175.10 176.06 1a8r n ASP 96 N 5.78 1.77 -4.29 3.32 5.75 -1.26 -4.26 116.55 123.35 1a8r n ASP 96 Ca 0.11 -3.19 -0.21 0.00 -0.01 0.00 0.00 54.79 51.48 1a8r n ASP 96 Cb 0.47 -0.44 -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 -2.28 1.16 0.54 0.11 0.41 -1.26 -4.96 118.70 112.43 1a8r s GLU 97 Ca 0.37 -1.29 -0.20 0.00 -0.41 0.00 0.00 54.97 53.45 1a8r s GLU 97 Cb 0.38 -1.23 -0.05 0.00 -1.78 0.00 0.00 34.13 31.44 1a8r s GLU 97 CO -0.09 0.26 1.17 0.00 -0.49 0.00 0.00 175.26 176.11 1a8r s MET 98 N -2.49 3.31 -0.16 1.61 0.23 -1.26 -4.27 119.30 116.27 1a8r s MET 98 Ca 0.11 1.75 -0.01 0.00 -1.03 0.00 0.00 55.69 56.51 1a8r s MET 98 Cb -0.07 -2.08 -0.01 0.00 -1.53 0.00 0.00 34.83 31.15 1a8r s MET 98 CO 0.05 -0.92 -0.12 0.08 -2.03 0.00 0.00 175.02 172.08 1a8r s VAL 99 N -1.64 3.00 -0.11 5.16 1.01 0.14 -4.93 120.40 123.02 1a8r s VAL 99 Ca 0.72 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1a8r s VAL 99 Cb -0.28 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1a8r s VAL 99 CO 0.31 0.50 -0.23 -0.89 0.00 0.00 0.00 175.10 174.80 1a8r s THR 100 N 0.71 2.03 -0.32 3.92 2.01 -1.26 -1.98 115.64 120.76 1a8r s THR 100 Ca -0.06 -0.99 -0.06 0.00 0.31 0.00 0.00 61.69 60.90 1a8r s THR 100 Cb -0.15 -1.77 0.03 0.00 0.01 0.00 0.00 72.50 70.62 1a8r s THR 100 CO 0.02 0.55 0.08 -0.69 -0.69 0.00 0.00 174.62 173.89 1a8r s VAL 101 N 0.52 3.77 0.17 3.82 1.01 0.99 -4.99 120.40 125.68 1a8r s VAL 101 Ca -0.15 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 60.93 1a8r s VAL 101 Cb -0.17 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1a8r s VAL 101 CO 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 175.10 175.15 1a8r s ARG 102 N 1.43 2.62 -1.20 2.72 1.70 -1.26 -0.99 118.95 123.97 1a8r s ARG 102 Ca -0.00 -1.00 -0.07 0.00 -0.47 0.00 0.00 55.73 54.19 1a8r s ARG 102 Cb -0.18 -2.48 0.01 0.00 -0.57 0.00 0.00 34.95 31.72 1a8r s ARG 102 CO 0.02 0.47 0.94 -0.25 -1.08 0.00 0.00 175.30 175.40 1a8r n ASP 103 N -0.21 -5.75 -4.70 -2.89 8.00 -1.02 -4.97 116.55 105.01 1a8r n ASP 103 Ca -0.09 -0.43 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 1a8r n ASP 103 Cb 0.55 -4.40 -0.03 0.00 -0.02 0.00 0.00 41.12 37.22 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 -3.24 3.60 0.16 0.53 1.01 -0.17 -4.81 121.20 118.28 1a8r s ILE 104 Ca 0.46 1.09 -0.31 0.00 0.00 0.00 0.00 60.65 61.89 1a8r s ILE 104 Cb -0.20 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 1a8r s ILE 104 CO 0.57 0.05 1.72 -0.89 0.00 0.00 0.00 174.94 176.40 1a8r s THR 105 N 1.64 2.38 -0.09 2.92 2.01 -1.26 -1.57 115.64 121.68 1a8r s THR 105 Ca 0.63 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.77 1a8r s THR 105 Cb -0.33 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.11 1a8r s THR 105 CO 0.28 0.01 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.98 1a8r s LEU 106 N 1.80 0.80 -0.18 4.42 0.20 -0.38 -4.79 118.68 120.55 1a8r s LEU 106 Ca 0.76 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 55.42 1a8r s LEU 106 Cb -0.47 -0.58 0.02 0.00 -0.43 0.00 0.00 46.19 44.74 1a8r s LEU 106 CO 0.33 -0.17 -0.19 0.42 -0.29 0.00 0.00 176.35 176.45 1a8r s THR 107 N 1.88 2.05 0.26 3.68 -4.23 -1.26 -0.94 115.64 117.09 1a8r s THR 107 Ca 0.05 -0.98 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1a8r s THR 107 Cb -0.12 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 1a8r s THR 107 CO -0.06 0.50 0.16 -0.24 -0.54 0.00 0.00 174.62 174.43 1a8r n SER 108 N 4.61 0.25 -3.86 3.99 2.88 -0.46 -4.19 113.62 116.84 1a8r n SER 108 Ca -0.20 -2.56 -0.19 0.00 -1.33 0.00 0.00 58.87 54.58 1a8r n SER 108 Cb 0.49 0.99 -0.16 0.00 -0.75 0.00 0.00 64.21 64.78 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 -2.82 0.42 0.24 2.46 2.01 -1.25 -1.05 115.64 115.65 1a8r s THR 109 Ca 0.22 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 1a8r s THR 109 Cb 0.01 -0.48 -0.09 0.00 0.01 0.00 0.00 72.50 71.96 1a8r s THR 109 CO 0.16 0.20 1.08 0.00 -0.69 0.00 0.00 174.62 175.37 1a8r h GLU 111 N 4.33 0.00 -0.38 0.00 4.11 -1.29 0.21 114.58 121.56 1a8r h GLU 111 Ca -0.46 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.85 1a8r h GLU 111 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1a8r h GLU 111 CO 0.69 0.00 -0.26 0.66 0.07 0.00 0.00 179.01 180.17 1a8r h SER 112 N 0.00 0.88 0.00 3.06 4.64 -1.92 -3.37 113.55 116.84 1a8r h SER 112 Ca 0.00 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1a8r h SER 112 Cb 0.68 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1a8r h SER 112 CO 0.00 1.13 0.00 1.41 -0.87 0.00 0.00 176.83 178.50 1a8r n HIS 113 N -4.19 0.00 -3.69 4.77 8.25 -1.24 -5.03 115.22 114.09 1a8r n HIS 113 Ca -0.02 -0.01 -0.23 0.00 -0.26 0.00 0.00 57.72 57.20 1a8r n HIS 113 Cb 0.47 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.01 -2.23 -4.43 4.41 3.01 0.74 -4.99 117.46 113.96 1a8r n PHE 114 Ca 0.00 0.91 -0.26 0.00 1.01 0.00 0.00 57.45 59.11 1a8r n PHE 114 Cb 0.07 -4.52 -0.13 0.00 -0.01 0.00 0.00 39.48 34.89 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 -3.46 1.85 0.17 -4.37 1.01 -1.21 -4.86 120.40 109.53 1a8r s VAL 115 Ca 0.27 -1.50 -0.30 0.00 0.00 0.00 0.00 61.98 60.45 1a8r s VAL 115 Cb -0.13 -1.64 -0.17 0.00 0.00 0.00 0.00 36.38 34.43 1a8r s VAL 115 CO 0.79 0.06 0.62 0.41 0.00 0.00 0.00 175.10 176.98 1a8r n THR 116 N 1.27 1.70 -3.88 3.92 -1.04 -1.26 -0.94 114.28 114.05 1a8r n THR 116 Ca -0.18 -0.43 -0.26 0.00 -2.04 0.00 0.00 64.05 61.14 1a8r n THR 116 Cb 0.53 -0.04 -0.17 0.00 -1.82 0.00 0.00 70.33 68.84 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 -0.85 0.91 -0.23 12.58 1.01 -0.22 -1.46 121.20 132.94 1a8r s ILE 117 Ca 0.68 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 1a8r s ILE 117 Cb -0.97 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1a8r s ILE 117 CO 0.56 0.32 -0.06 -0.62 0.00 0.00 0.00 174.94 175.14 1a8r s ASP 118 N 1.75 4.20 0.28 3.58 2.15 -0.03 -1.36 116.67 127.24 1a8r s ASP 118 Ca 0.04 -0.55 -0.01 0.00 0.43 0.00 0.00 52.55 52.46 1a8r s ASP 118 Cb -0.13 -1.70 0.01 0.00 -0.30 0.00 0.00 42.92 40.80 1a8r s ASP 118 CO -0.08 -0.05 0.38 0.61 -0.17 0.00 0.00 175.17 175.86 1a8r n GLY 119 N 4.75 2.36 2.85 2.66 0.00 -0.12 -0.37 105.19 117.32 1a8r n GLY 119 Ca -0.18 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.66 0.29 0.11 1.61 1.02 0.55 -1.25 119.74 119.41 1a8r s LYS 120 Ca 0.24 0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.28 1a8r s LYS 120 Cb -0.01 -0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 1a8r s LYS 120 CO 0.17 -0.07 0.06 0.00 -0.92 0.00 0.00 175.35 174.59 1a8r s ALA 121 N 0.65 3.44 -0.11 5.17 0.00 -0.61 -1.05 121.76 129.25 1a8r s ALA 121 Ca -0.06 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 1a8r s ALA 121 Cb -0.10 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.75 1a8r s ALA 121 CO -0.01 0.66 -0.04 0.99 0.00 0.00 0.00 175.76 177.36 1a8r s THR 122 N -1.46 0.80 -0.06 0.00 2.01 0.21 -1.00 115.64 116.13 1a8r s THR 122 Ca 0.28 -0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.14 1a8r s THR 122 Cb -0.11 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1a8r s THR 122 CO 0.21 0.28 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.51 1a8r s VAL 123 N 1.80 1.84 0.05 3.82 1.01 -0.16 -0.80 120.40 127.96 1a8r s VAL 123 Ca 0.04 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1a8r s VAL 123 Cb -0.13 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1a8r s VAL 123 CO -0.07 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 1a8r s ALA 124 N 0.03 0.63 0.04 5.51 0.00 -0.48 -0.01 121.76 127.48 1a8r s ALA 124 Ca -0.07 -0.86 -0.25 0.00 0.00 0.00 0.00 51.96 50.77 1a8r s ALA 124 Cb -0.14 0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.11 1a8r s ALA 124 CO 0.04 -0.06 0.59 1.52 0.00 0.00 0.00 175.76 177.85 1a8r s TYR 125 N -1.78 -0.52 -0.32 0.00 1.13 -0.84 -0.44 117.35 114.58 1a8r s TYR 125 Ca -0.06 0.63 -0.09 0.00 -1.41 0.00 0.00 57.07 56.14 1a8r s TYR 125 Cb -0.07 0.41 0.01 0.00 -1.10 0.00 0.00 41.96 41.21 1a8r s TYR 125 CO -0.01 -0.68 0.14 0.42 -2.51 0.00 0.00 175.55 172.92 1a8r s ILE 126 N -2.38 4.40 0.29 -3.49 1.01 -0.83 -0.68 121.20 119.51 1a8r s ILE 126 Ca -0.06 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 1a8r s ILE 126 Cb -0.01 -3.31 -0.12 0.00 0.01 0.00 0.00 42.46 39.04 1a8r s ILE 126 CO -0.01 -0.02 1.61 -2.65 0.00 0.00 0.00 174.94 173.88 1a8r n PRO 127 N 4.95 2.73 0.00 2.79 -0.02 -1.26 -4.87 135.00 139.32 1a8r n PRO 127 Ca -0.13 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1a8r n PRO 127 Cb 0.48 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 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 2.32 0.00 0.01 -0.52 4.81 -1.26 -4.59 118.16 118.93 1a8r n LYS 128 Ca 0.09 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.59 1a8r n LYS 128 Cb 0.37 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.31 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 0.38 -4.30 3.14 8.00 -1.26 -4.80 116.55 117.72 1a8r n ASP 129 Ca 0.00 0.16 -0.16 0.00 0.71 0.00 0.00 54.79 55.50 1a8r n ASP 129 Cb 0.00 1.10 -0.10 0.00 -0.02 0.00 0.00 41.12 42.10 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 -5.12 2.08 -0.15 -2.24 1.04 -1.26 -0.57 113.70 107.47 1a8r s SER 130 Ca -0.05 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.35 1a8r s SER 130 Cb 0.11 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.18 1a8r s SER 130 CO 0.85 -0.30 -0.19 -0.69 0.98 0.00 0.00 173.24 173.89 1a8r s VAL 131 N -3.21 2.29 0.36 5.02 1.01 0.35 -4.73 120.40 121.49 1a8r s VAL 131 Ca 0.20 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1a8r s VAL 131 Cb 0.02 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1a8r s VAL 131 CO 0.04 0.54 0.78 -0.51 0.00 0.00 0.00 175.10 175.94 1a8r s ILE 132 N 0.84 4.66 0.17 2.22 2.07 -1.26 -0.43 121.20 129.47 1a8r s ILE 132 Ca -0.06 0.95 -0.31 0.00 -1.41 0.00 0.00 60.65 59.82 1a8r s ILE 132 Cb -0.15 -3.64 -0.10 0.00 0.13 0.00 0.00 42.46 38.70 1a8r s ILE 132 CO -0.02 -0.29 1.51 -0.83 -1.91 0.00 0.00 174.94 173.39 1a8r s GLY 133 N -2.49 1.77 0.20 1.50 0.00 -0.37 -4.91 107.32 103.03 1a8r s GLY 133 Ca 0.55 1.30 -0.16 0.00 0.00 0.00 0.00 44.72 46.41 1a8r s GLY 133 CO 0.20 2.51 1.62 1.41 0.00 0.00 0.00 173.10 178.85 1a8r h LEU 134 N 6.53 -0.68 -2.35 0.66 3.38 -1.95 -0.88 115.31 120.03 1a8r h LEU 134 Ca -0.43 0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1a8r h LEU 134 Cb 1.21 0.41 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1a8r h LEU 134 CO 0.88 -0.23 0.06 0.77 0.09 0.00 0.00 178.44 180.02 1a8r h SER 135 N -0.05 0.00 0.22 -0.43 4.64 -2.00 -1.85 113.55 114.09 1a8r h SER 135 Ca 0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 1a8r h SER 135 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1a8r h SER 135 CO -0.62 0.00 -0.23 0.11 -0.87 0.00 0.00 176.83 175.23 1a8r h LYS 136 N 0.00 0.00 -0.25 4.77 1.79 -1.52 -0.63 116.57 120.74 1a8r h LYS 136 Ca 0.03 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 1a8r h LYS 136 Cb 0.16 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1a8r h LYS 136 CO -0.00 0.23 0.02 0.82 -1.08 0.00 0.00 179.45 179.44 1a8r h ILE 137 N 0.00 1.24 -0.30 1.86 2.04 -1.41 -0.59 117.51 120.35 1a8r h ILE 137 Ca -0.00 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1a8r h ILE 137 Cb 0.40 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1a8r h ILE 137 CO 0.03 0.27 0.16 0.78 0.00 0.00 0.00 178.15 179.38 1a8r h ASN 138 N 0.21 0.38 -0.46 1.72 -0.26 -1.45 -1.75 115.58 113.97 1a8r h ASN 138 Ca 0.07 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 1a8r h ASN 138 Cb 0.37 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 1a8r h ASN 138 CO 0.01 0.37 0.19 0.03 -1.06 0.00 0.00 177.43 176.97 1a8r h ARG 139 N 0.36 0.74 0.01 0.81 3.08 -1.04 -1.40 114.38 116.94 1a8r h ARG 139 Ca 0.10 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1a8r h ARG 139 Cb 0.08 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1a8r h ARG 139 CO -0.02 0.62 -0.00 0.82 -1.07 0.00 0.00 179.97 180.32 1a8r h ILE 140 N 0.73 1.27 -0.46 2.04 2.04 -0.73 0.63 117.51 123.04 1a8r h ILE 140 Ca 0.17 -0.84 0.09 0.00 1.00 0.00 0.00 64.86 65.29 1a8r h ILE 140 Cb 0.16 1.84 -0.09 0.00 -0.74 0.00 0.00 36.82 38.00 1a8r h ILE 140 CO -0.02 0.22 -0.10 0.58 0.00 0.00 0.00 178.15 178.83 1a8r h VAL 141 N -0.37 0.56 0.00 1.67 2.07 -1.08 0.82 116.25 119.91 1a8r h VAL 141 Ca -0.00 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1a8r h VAL 141 Cb 0.36 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1a8r h VAL 141 CO 0.00 0.00 -0.25 1.56 0.02 0.00 0.00 177.57 178.91 1a8r h GLN 142 N 0.01 0.00 0.10 1.57 1.08 -1.18 -1.25 115.11 115.45 1a8r h GLN 142 Ca 0.22 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1a8r h GLN 142 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1a8r h GLN 142 CO -0.46 0.25 -0.05 0.35 -0.95 0.00 0.00 178.83 177.97 1a8r h PHE 143 N 0.00 -0.12 0.00 2.96 3.57 0.16 -1.91 116.94 121.60 1a8r h PHE 143 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1a8r h PHE 143 Cb 0.55 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1a8r h PHE 143 CO 0.00 0.13 -0.46 0.74 -2.23 0.00 0.00 178.31 176.49 1a8r h PHE 144 N -0.36 0.00 -0.15 0.41 0.04 -1.30 -3.12 116.94 112.47 1a8r h PHE 144 Ca -0.01 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.63 1a8r h PHE 144 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1a8r h PHE 144 CO 0.00 0.46 -0.46 0.00 -0.60 0.00 0.00 178.31 177.71 1a8r h ALA 145 N 1.54 0.93 0.00 2.45 0.00 -1.13 -3.33 119.26 119.73 1a8r h ALA 145 Ca -0.00 -0.46 -0.66 0.00 0.00 0.00 0.00 54.91 53.78 1a8r h ALA 145 Cb 0.99 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1a8r h ALA 145 CO 0.06 0.65 3.51 1.04 0.00 0.00 0.00 179.25 184.50 1a8r n GLN 146 N -3.99 3.26 -3.56 0.00 1.13 -0.73 -4.21 117.38 109.29 1a8r n GLN 146 Ca -0.02 -2.27 -0.11 0.00 -1.94 0.00 0.00 57.00 52.66 1a8r n GLN 146 Cb 0.53 -2.94 -0.03 0.00 0.11 0.00 0.00 30.24 27.91 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 2.67 1.24 -0.20 -1.09 0.52 -1.11 -0.82 118.95 120.17 1a8r s ARG 147 Ca 0.60 -0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 1a8r s ARG 147 Cb 0.16 0.54 -0.02 0.00 0.52 0.00 0.00 34.95 36.14 1a8r s ARG 147 CO -0.06 -0.52 1.51 -2.14 0.02 0.00 0.00 175.30 174.11 1a8r s PRO 148 N -3.80 3.95 0.45 3.54 0.02 -1.26 -3.80 135.00 134.10 1a8r s PRO 148 Ca 0.03 1.69 0.05 0.00 0.02 0.00 0.00 61.00 62.79 1a8r s PRO 148 Cb -0.00 -3.96 -0.05 0.00 0.02 0.00 0.00 34.50 30.51 1a8r s PRO 148 CO -0.10 -1.09 0.02 -0.65 -0.33 0.00 0.00 177.00 174.85 1a8r s GLN 149 N 4.29 2.06 -0.16 5.54 -1.52 0.97 -4.63 119.66 126.21 1a8r s GLN 149 Ca 0.67 -2.20 -0.02 0.00 -1.95 0.00 0.00 55.36 51.86 1a8r s GLN 149 Cb -0.24 -1.63 0.05 0.00 -0.22 0.00 0.00 33.01 30.97 1a8r s GLN 149 CO 0.26 -0.17 0.02 0.08 -0.25 0.00 0.00 175.29 175.23 1a8r s VAL 150 N -2.76 0.52 0.32 1.09 1.01 -1.26 -0.93 120.40 118.39 1a8r s VAL 150 Ca 0.25 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.93 1a8r s VAL 150 Cb 0.06 -0.93 0.32 0.00 0.00 0.00 0.00 36.38 35.84 1a8r s VAL 150 CO 0.13 -0.07 1.67 -0.61 0.00 0.00 0.00 175.10 176.22 1a8r h GLN 151 N 8.26 0.34 -0.70 2.72 4.15 -1.99 0.30 115.11 128.18 1a8r h GLN 151 Ca -0.18 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.21 1a8r h GLN 151 Cb 1.12 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.70 1a8r h GLN 151 CO 0.32 0.22 0.37 0.93 -1.93 0.00 0.00 178.83 178.75 1a8r h GLU 152 N 0.35 0.99 0.08 1.69 3.07 -2.00 -1.61 114.58 117.15 1a8r h GLU 152 Ca 0.66 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1a8r h GLU 152 Cb 1.41 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1a8r h GLU 152 CO -0.59 0.75 -0.04 -0.09 -1.40 0.00 0.00 179.01 177.64 1a8r h ARG 153 N 0.97 -0.11 -0.68 2.33 2.43 -1.43 -3.04 114.38 114.84 1a8r h ARG 153 Ca 0.25 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.57 1a8r h ARG 153 Cb 0.06 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.52 1a8r h ARG 153 CO -0.04 0.27 -0.00 1.25 -1.51 0.00 0.00 179.97 179.94 1a8r h LEU 154 N -0.51 -0.32 -0.80 3.80 5.85 -0.96 0.10 115.31 122.47 1a8r h LEU 154 Ca -0.01 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1a8r h LEU 154 Cb 0.43 0.31 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1a8r h LEU 154 CO 0.02 -0.15 0.52 0.74 -0.34 0.00 0.00 178.44 179.24 1a8r h THR 155 N 0.11 1.18 0.01 1.05 2.02 -1.32 -1.63 112.91 114.33 1a8r h THR 155 Ca 0.36 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1a8r h THR 155 Cb 0.61 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1a8r h THR 155 CO -0.59 0.19 -0.00 1.56 0.37 0.00 0.00 175.52 177.04 1a8r h GLN 156 N 1.06 -0.01 -0.41 6.66 1.08 -0.79 -2.50 115.11 120.20 1a8r h GLN 156 Ca 0.30 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.57 1a8r h GLN 156 Cb -0.09 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.29 1a8r h GLN 156 CO -0.08 0.10 0.08 1.96 -0.95 0.00 0.00 178.83 179.94 1a8r h GLN 157 N -0.11 0.21 -0.53 1.46 4.20 -0.62 -1.06 115.11 118.65 1a8r h GLN 157 Ca -0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1a8r h GLN 157 Cb 0.11 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1a8r h GLN 157 CO 0.00 0.14 0.30 0.82 -0.67 0.00 0.00 178.83 179.42 1a8r h ILE 158 N 0.21 1.18 0.06 2.54 2.04 -1.25 -0.98 117.51 121.31 1a8r h ILE 158 Ca 0.20 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1a8r h ILE 158 Cb 0.24 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1a8r h ILE 158 CO -0.26 0.19 -0.14 0.25 0.00 0.00 0.00 178.15 178.19 1a8r h LEU 159 N 0.71 -0.38 0.05 1.44 5.85 -0.93 -0.84 115.31 121.19 1a8r h LEU 159 Ca 0.19 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 1a8r h LEU 159 Cb 0.03 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1a8r h LEU 159 CO -0.03 -0.20 -0.02 0.40 -0.34 0.00 0.00 178.44 178.25 1a8r h ILE 160 N -0.26 0.98 -0.41 4.05 1.08 -1.10 -0.81 117.51 121.05 1a8r h ILE 160 Ca 0.03 -0.08 0.07 0.00 -0.39 0.00 0.00 64.86 64.49 1a8r h ILE 160 Cb 0.29 1.04 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 1a8r h ILE 160 CO -0.09 0.02 0.02 0.00 -0.69 0.00 0.00 178.15 177.41 1a8r h ALA 161 N 0.86 0.39 -0.40 1.87 0.00 -1.07 -0.35 119.26 120.57 1a8r h ALA 161 Ca -0.01 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1a8r h ALA 161 Cb 0.08 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1a8r h ALA 161 CO 0.01 -0.38 0.12 -0.07 0.00 0.00 0.00 179.25 178.93 1a8r h LEU 162 N 0.13 0.58 -0.55 0.00 3.38 -0.97 -0.69 115.31 117.20 1a8r h LEU 162 Ca 0.20 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1a8r h LEU 162 Cb 0.28 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1a8r h LEU 162 CO -0.32 0.64 0.33 1.56 0.09 0.00 0.00 178.44 180.74 1a8r h GLN 163 N 0.50 0.63 0.23 1.13 4.20 -0.71 0.12 115.11 121.21 1a8r h GLN 163 Ca 0.13 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1a8r h GLN 163 Cb 0.27 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1a8r h GLN 163 CO -0.00 0.41 -0.30 1.15 -0.67 0.00 0.00 178.83 179.43 1a8r h THR 164 N 0.64 0.37 -0.82 -0.54 2.02 -0.79 0.13 112.91 113.93 1a8r h THR 164 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 1a8r h THR 164 Cb 0.03 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 1a8r h THR 164 CO -0.10 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 176.14 1a8r h LEU 165 N -0.58 1.04 0.00 2.58 3.38 -0.74 -2.91 115.31 118.08 1a8r h LEU 165 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1a8r h LEU 165 Cb 0.56 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1a8r h LEU 165 CO -0.10 0.86 -0.46 0.18 0.09 0.00 0.00 178.44 179.00 1a8r n LEU 166 N -4.33 0.49 -2.25 1.67 4.77 0.39 -4.96 117.00 112.79 1a8r n LEU 166 Ca 0.08 0.12 -0.16 0.00 -0.03 0.00 0.00 56.01 56.02 1a8r n LEU 166 Cb 0.12 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1a8r n LEU 166 CO 0.39 0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 177.11 1a8r n GLY 167 N 1.46 -0.20 3.24 -0.72 0.00 0.44 -4.71 105.19 104.69 1a8r n GLY 167 Ca 0.05 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.00 0.05 -0.69 2.61 2.01 -1.08 -4.91 115.64 110.63 1a8r s THR 168 Ca 0.21 -0.37 0.24 0.00 0.31 0.00 0.00 61.69 62.08 1a8r s THR 168 Cb -0.09 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 71.84 1a8r s THR 168 CO 0.26 -0.20 1.28 0.59 -0.69 0.00 0.00 174.62 175.86 1a8r n ASN 169 N 1.62 0.65 -3.92 3.53 3.02 -1.26 -4.26 115.26 114.64 1a8r n ASN 169 Ca -0.20 0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 53.96 1a8r n ASN 169 Cb 0.56 0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.99 1a8r n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1a8r n ASN 170 N -2.00 3.31 -4.03 6.41 3.02 -1.26 -0.71 115.26 120.00 1a8r n ASN 170 Ca 0.03 -2.76 -0.14 0.00 -0.03 0.00 0.00 54.58 51.69 1a8r n ASN 170 Cb 0.42 -1.45 -0.12 0.00 -0.61 0.00 0.00 39.78 38.02 1a8r n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a8r s VAL 171 N 5.31 0.48 -0.02 2.41 1.01 -1.25 -1.97 120.40 126.36 1a8r s VAL 171 Ca 0.56 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1a8r s VAL 171 Cb 0.11 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 36.00 1a8r s VAL 171 CO 0.06 -0.24 0.03 0.00 0.00 0.00 0.00 175.10 174.94 1a8r s ALA 172 N -1.01 0.07 -0.06 5.51 0.00 0.41 -0.05 121.76 126.64 1a8r s ALA 172 Ca -0.07 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.23 1a8r s ALA 172 Cb -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1a8r s ALA 172 CO 0.00 -0.11 -0.16 0.08 0.00 0.00 0.00 175.76 175.57 1a8r s VAL 173 N 1.04 1.42 0.00 0.00 1.01 0.05 -1.38 120.40 122.54 1a8r s VAL 173 Ca -0.09 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1a8r s VAL 173 Cb -0.12 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1a8r s VAL 173 CO -0.03 0.41 -0.10 -0.55 0.00 0.00 0.00 175.10 174.84 1a8r s SER 174 N 0.29 1.11 -0.03 3.32 0.15 0.02 -0.38 113.70 118.18 1a8r s SER 174 Ca -0.10 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.35 1a8r s SER 174 Cb -0.14 -0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.08 1a8r s SER 174 CO 0.04 0.09 -0.05 -0.63 1.20 0.00 0.00 173.24 173.88 1a8r s ILE 175 N -0.34 0.51 -0.15 6.45 1.01 0.08 -0.62 121.20 128.13 1a8r s ILE 175 Ca 0.03 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.54 1a8r s ILE 175 Cb -0.04 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.92 1a8r s ILE 175 CO -0.00 0.20 -0.20 -0.62 0.00 0.00 0.00 174.94 174.32 1a8r s ASP 176 N 0.64 3.27 0.06 3.58 2.15 -0.21 -1.24 116.67 124.92 1a8r s ASP 176 Ca -0.08 -0.58 -0.07 0.00 0.43 0.00 0.00 52.55 52.25 1a8r s ASP 176 Cb -0.12 -1.49 -0.01 0.00 -0.30 0.00 0.00 42.92 41.01 1a8r s ASP 176 CO 0.00 0.06 0.15 0.00 -0.17 0.00 0.00 175.17 175.21 1a8r s ALA 177 N 0.92 -0.15 -0.19 3.66 0.00 -0.16 -0.33 121.76 125.51 1a8r s ALA 177 Ca -0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 1a8r s ALA 177 Cb -0.15 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1a8r s ALA 177 CO -0.03 -0.42 -0.07 0.08 0.00 0.00 0.00 175.76 175.32 1a8r s VAL 178 N -3.29 3.27 -0.30 0.00 1.01 0.50 -0.91 120.40 120.68 1a8r s VAL 178 Ca 0.01 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1a8r s VAL 178 Cb 0.03 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1a8r s VAL 178 CO -0.08 0.46 0.20 -1.00 0.00 0.00 0.00 175.10 174.68 1a8r s HIS 179 N 1.10 3.22 -0.44 5.22 3.76 -1.26 -0.85 115.29 126.02 1a8r s HIS 179 Ca 0.01 -0.02 0.23 0.00 -0.15 0.00 0.00 55.06 55.13 1a8r s HIS 179 Cb -0.15 -2.40 1.00 0.00 1.11 0.00 0.00 32.58 32.15 1a8r s HIS 179 CO -0.01 -0.24 1.71 0.66 -0.85 0.00 0.00 174.74 176.01 1a8r n TYR 180 N 5.07 0.81 0.81 1.40 4.02 -0.54 -1.21 117.16 127.51 1a8r n TYR 180 Ca -0.14 0.33 0.12 0.00 -0.01 0.00 0.00 57.90 58.20 1a8r n TYR 180 Cb 0.51 -1.03 0.51 0.00 -0.02 0.00 0.00 39.34 39.31 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 -1.53 1.09 0.07 0.00 0.31 -0.49 -4.35 118.33 113.43 1a8r n VAL 182 Ca 0.06 -0.37 -0.21 0.00 -0.01 0.00 0.00 64.34 63.80 1a8r n VAL 182 Cb 0.28 -1.36 -0.14 0.00 -0.91 0.00 0.00 33.84 31.71 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 -0.23 0.44 -0.37 5.55 3.64 -1.09 -1.39 116.57 123.12 1a8r h LYS 183 Ca -0.45 -0.66 -0.02 0.00 -1.27 0.00 0.00 60.65 58.25 1a8r h LYS 183 Cb 1.59 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.63 1a8r h LYS 183 CO -0.14 1.30 0.01 0.00 -2.27 0.00 0.00 179.45 178.35 1a8r n ALA 184 N -2.67 3.37 -3.67 5.00 0.00 -0.09 -3.95 120.51 118.50 1a8r n ALA 184 Ca -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 53.44 51.01 1a8r n ALA 184 Cb 0.90 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.85 1.01 5.95 0.00 3.52 -1.23 -4.97 118.95 120.38 1a8r s ARG 185 Ca 0.46 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1a8r s ARG 185 Cb 0.37 0.37 0.00 0.00 -1.56 0.00 0.00 34.95 34.13 1a8r s ARG 185 CO 0.11 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 1a8r n GLY 186 N -0.40 2.08 0.28 8.12 0.00 -1.26 -0.83 105.19 113.17 1a8r n GLY 186 Ca -0.07 0.36 0.17 0.00 0.00 0.00 0.00 46.02 46.48 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 0.13 -6.50 -0.61 6.09 -1.84 -3.47 117.51 111.32 1a8r h ILE 187 Ca 0.00 -0.50 -0.50 0.00 -1.37 0.00 0.00 64.86 62.49 1a8r h ILE 187 Cb 0.00 1.43 -0.05 0.00 0.47 0.00 0.00 36.82 38.68 1a8r h ILE 187 CO 0.00 0.04 -0.90 0.54 -3.07 0.00 0.00 178.15 174.76 1a8r n ARG 188 N -3.19 -3.02 -2.82 2.19 1.74 -0.01 -4.90 116.66 106.65 1a8r n ARG 188 Ca -0.00 0.39 -0.43 0.00 -0.77 0.00 0.00 57.85 57.04 1a8r n ARG 188 Cb 0.27 -4.44 -0.04 0.00 -1.02 0.00 0.00 32.46 27.23 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 -4.29 6.41 0.20 0.55 -1.08 -0.66 -4.89 116.67 112.90 1a8r s ASP 189 Ca 0.05 -0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.19 1a8r s ASP 189 Cb -0.02 -2.45 0.89 0.00 -1.46 0.00 0.00 42.92 39.89 1a8r s ASP 189 CO 0.89 -1.16 1.75 0.00 0.52 0.00 0.00 175.17 177.17 1a8r n ALA 190 N 7.38 2.05 -0.01 3.66 0.00 -1.26 -3.98 120.51 128.35 1a8r n ALA 190 Ca 0.04 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.54 1a8r n ALA 190 Cb 0.48 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 1a8r n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a8r n THR 191 N -2.17 0.07 -1.95 0.00 -2.24 -1.26 -5.05 114.28 101.68 1a8r n THR 191 Ca 0.04 -0.29 -0.32 0.00 -2.27 0.00 0.00 64.05 61.22 1a8r n THR 191 Cb 0.35 0.15 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1a8r n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a8r s SER 192 N -3.45 5.81 0.03 3.42 1.04 -1.26 -5.09 113.70 114.20 1a8r s SER 192 Ca -0.04 1.70 -0.10 0.00 0.48 0.00 0.00 55.95 57.99 1a8r s SER 192 Cb 0.07 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.68 1a8r s SER 192 CO 0.49 -1.15 0.20 0.00 0.98 0.00 0.00 173.24 173.76 1a8r s ALA 193 N -2.69 -0.42 -0.09 5.32 0.00 -1.26 -4.80 121.76 117.82 1a8r s ALA 193 Ca 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1a8r s ALA 193 Cb -0.14 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1a8r s ALA 193 CO 0.42 -0.32 -0.07 0.99 0.00 0.00 0.00 175.76 176.78 1a8r s THR 194 N -2.17 3.68 -0.13 0.00 2.01 -0.09 -4.93 115.64 114.00 1a8r s THR 194 Ca -0.08 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1a8r s THR 194 Cb -0.03 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.97 1a8r s THR 194 CO -0.02 0.58 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.41 1a8r s THR 195 N -0.53 1.85 0.08 -0.82 2.01 -1.26 -0.99 115.64 115.99 1a8r s THR 195 Ca 0.08 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.31 1a8r s THR 195 Cb -0.12 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1a8r s THR 195 CO 0.02 0.51 -0.21 0.42 -0.69 0.00 0.00 174.62 174.67 1a8r s THR 196 N 0.93 1.69 0.03 -0.82 -4.23 -0.37 -4.98 115.64 107.88 1a8r s THR 196 Ca -0.06 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1a8r s THR 196 Cb -0.15 -1.51 -0.02 0.00 1.34 0.00 0.00 72.50 72.15 1a8r s THR 196 CO -0.03 0.02 -0.04 0.42 -0.54 0.00 0.00 174.62 174.45 1a8r s THR 197 N -1.05 0.19 -0.20 3.99 -4.23 -1.26 -0.74 115.64 112.34 1a8r s THR 197 Ca 0.07 -1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.55 1a8r s THR 197 Cb -0.10 -0.40 0.06 0.00 1.34 0.00 0.00 72.50 73.40 1a8r s THR 197 CO 0.03 -0.52 0.04 -0.44 -0.54 0.00 0.00 174.62 173.19 1a8r s SER 198 N -1.58 2.96 -0.19 3.99 0.01 0.49 -4.98 113.70 114.40 1a8r s SER 198 Ca -0.13 -0.85 -0.06 0.00 1.31 0.00 0.00 55.95 56.22 1a8r s SER 198 Cb -0.09 -0.61 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 1a8r s SER 198 CO -0.01 -0.31 0.02 -0.76 0.41 0.00 0.00 173.24 172.59 1a8r s LEU 199 N 1.84 3.46 0.32 2.44 1.43 -1.26 -0.77 118.68 126.15 1a8r s LEU 199 Ca -0.01 -0.09 0.10 0.00 -1.03 0.00 0.00 54.13 53.10 1a8r s LEU 199 Cb -0.17 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1a8r s LEU 199 CO -0.08 0.12 -0.03 -0.83 0.23 0.00 0.00 176.35 175.75 1a8r s GLY 200 N 0.67 1.99 0.00 -3.19 0.00 0.93 -4.42 107.32 103.31 1a8r s GLY 200 Ca 0.01 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 42.81 1a8r s GLY 200 CO 0.02 -1.90 0.00 0.61 0.00 0.00 0.00 173.10 171.83 1a8r n GLY 201 N -0.88 2.75 0.28 0.20 0.00 0.11 -0.86 105.19 106.79 1a8r n GLY 201 Ca -0.05 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.59 0.99 3.38 -1.93 0.76 115.31 116.92 1a8r h LEU 202 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 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 -0.22 -0.26 0.09 0.00 0.00 178.44 178.05 1a8r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.26 0.45 116.94 117.30 1a8r h PHE 203 Ca 0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 1a8r h PHE 203 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1a8r h PHE 203 CO 0.00 0.22 -1.26 1.17 -0.60 0.00 0.00 178.31 177.84 1a8r n LYS 204 N -3.88 0.55 0.03 1.51 3.00 -0.53 -4.03 118.16 114.81 1a8r n LYS 204 Ca -0.02 0.54 -0.13 0.00 -0.00 0.00 0.00 58.31 58.70 1a8r n LYS 204 Cb 0.31 -1.71 -0.09 0.00 0.00 0.00 0.00 35.03 33.54 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 -0.08 -3.57 3.14 0.02 -0.81 -3.43 113.55 107.82 1a8r h SER 205 Ca -0.32 -0.34 -0.62 0.00 -0.84 0.00 0.00 61.79 59.67 1a8r h SER 205 Cb 1.21 0.02 -0.13 0.00 0.14 0.00 0.00 62.40 63.63 1a8r h SER 205 CO -0.20 0.30 0.05 -0.55 -1.14 0.00 0.00 176.83 175.29 1a8r s SER 206 N -5.47 6.43 0.40 3.07 0.15 0.16 -4.93 113.70 113.50 1a8r s SER 206 Ca -0.15 0.36 0.12 0.00 0.70 0.00 0.00 55.95 56.98 1a8r s SER 206 Cb 0.02 -2.30 0.82 0.00 -1.71 0.00 0.00 66.02 62.86 1a8r s SER 206 CO 0.64 -0.41 1.90 -0.61 1.20 0.00 0.00 173.24 175.95 1a8r h GLN 207 N 8.19 0.05 0.36 5.44 4.15 -1.84 0.22 115.11 131.68 1a8r h GLN 207 Ca -0.28 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.11 1a8r h GLN 207 Cb 1.13 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.82 1a8r h GLN 207 CO 0.76 0.31 -0.17 -0.97 -1.93 0.00 0.00 178.83 176.83 1a8r h ASN 208 N 0.05 -0.41 -0.40 -0.69 -1.24 -1.91 0.20 115.58 111.17 1a8r h ASN 208 Ca 0.01 -0.05 -0.04 0.00 0.71 0.00 0.00 56.30 56.93 1a8r h ASN 208 Cb 0.49 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.63 1a8r h ASN 208 CO 0.04 -0.22 0.10 0.74 -1.29 0.00 0.00 177.43 176.80 1a8r h THR 209 N -0.59 1.23 -0.36 -3.57 2.02 -1.72 -2.59 112.91 107.33 1a8r h THR 209 Ca -0.05 -0.79 0.06 0.00 0.77 0.00 0.00 66.41 66.40 1a8r h THR 209 Cb 0.43 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 1a8r h THR 209 CO 0.08 0.27 0.04 -0.09 0.37 0.00 0.00 175.52 176.20 1a8r h ARG 210 N 0.51 0.14 0.00 6.66 2.43 -0.47 -1.86 114.38 121.79 1a8r h ARG 210 Ca 0.13 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1a8r h ARG 210 Cb 0.31 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1a8r h ARG 210 CO 0.00 0.10 -0.34 0.45 -1.51 0.00 0.00 179.97 178.66 1a8r h HIS 211 N 0.15 0.00 -0.41 2.20 3.86 -0.93 -1.11 115.15 118.91 1a8r h HIS 211 Ca 0.17 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 1a8r h HIS 211 Cb 0.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1a8r h HIS 211 CO -0.22 0.34 -0.03 0.93 0.86 0.00 0.00 177.93 179.82 1a8r h GLU 212 N 0.00 0.74 0.38 2.45 5.08 -1.12 0.12 114.58 122.23 1a8r h GLU 212 Ca -0.00 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1a8r h GLU 212 Cb 1.08 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1a8r h GLU 212 CO 0.04 0.84 -0.18 0.35 -1.00 0.00 0.00 179.01 179.06 1a8r h PHE 213 N 0.56 -0.48 -0.66 4.33 3.57 -1.20 -2.66 116.94 120.40 1a8r h PHE 213 Ca 0.11 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.68 1a8r h PHE 213 Cb 0.53 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 1a8r h PHE 213 CO 0.04 -0.16 0.34 -0.07 -2.23 0.00 0.00 178.31 176.23 1a8r h LEU 214 N -0.81 0.46 -0.85 0.59 3.38 -1.14 -0.89 115.31 116.04 1a8r h LEU 214 Ca -0.05 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1a8r h LEU 214 Cb 0.53 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1a8r h LEU 214 CO 0.09 0.28 0.53 -0.09 0.09 0.00 0.00 178.44 179.34 1a8r h ARG 215 N 0.60 0.96 0.00 1.13 2.43 -0.80 -1.75 114.38 116.95 1a8r h ARG 215 Ca 0.31 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1a8r h ARG 215 Cb 0.28 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1a8r h ARG 215 CO -0.23 0.64 -0.16 0.00 -1.51 0.00 0.00 179.97 178.71 1a8r h ALA 216 N 1.39 1.58 -2.88 2.80 0.00 -0.81 -3.44 119.26 117.91 1a8r h ALA 216 Ca 0.36 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 54.59 1a8r h ALA 216 Cb 0.13 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 17.98 1a8r h ALA 216 CO -0.16 0.20 0.81 0.08 0.00 0.00 0.00 179.25 180.19 1a8r s VAL 217 N -4.52 2.12 -0.26 0.00 1.01 -0.66 -4.36 120.40 113.73 1a8r s VAL 217 Ca -0.04 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1a8r s VAL 217 Cb 0.15 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1a8r s VAL 217 CO 0.66 0.02 0.00 -1.14 0.00 0.00 0.00 175.10 174.65 1a8r n ARG 218 N 1.25 -3.01 -3.86 2.72 3.00 -1.26 -5.04 116.66 110.46 1a8r n ARG 218 Ca 0.04 2.47 -0.30 0.00 -0.00 0.00 0.00 57.85 60.06 1a8r n ARG 218 Cb 0.39 -4.73 -0.15 0.00 0.00 0.00 0.00 32.46 27.97 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 -1.37 2.35 -0.33 -0.14 3.76 -1.26 -5.09 115.29 113.21 1a8r s HIS 219 Ca -0.01 -1.98 -0.35 0.00 -0.15 0.00 0.00 55.06 52.57 1a8r s HIS 219 Cb 0.00 -1.92 -0.11 0.00 1.11 0.00 0.00 32.58 31.66 1a8r s HIS 219 CO 0.67 -0.85 2.17 0.72 -0.85 0.00 0.00 174.74 176.60 1a8r n HIS 220 N 4.67 1.64 -0.19 1.40 8.25 -1.26 -5.04 115.22 124.69 1a8r n HIS 220 Ca -0.04 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1a8r n HIS 220 Cb 0.43 -2.54 0.00 0.00 1.12 0.00 0.00 29.99 29.00 1a8r n HIS 220 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07