#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dya h GLU 6 N 0.00 0.00 -6.28 4.33 5.08 -2.00 -3.45 114.58 112.26 2dya h GLU 6 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 2dya h GLU 6 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2dya h GLU 6 CO 0.00 0.00 0.81 0.99 -1.00 0.00 0.00 179.01 179.81 2dya s THR 7 N -3.32 4.09 0.13 1.13 2.01 -1.26 0.07 115.64 118.49 2dya s THR 7 Ca 0.01 1.40 -0.01 0.00 0.31 0.00 0.00 61.69 63.41 2dya s THR 7 Cb 0.09 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2dya s THR 7 CO 0.76 -0.04 0.04 -1.83 -0.69 0.00 0.00 174.62 172.86 2dya s GLU 8 N 2.74 0.93 0.01 4.92 -1.05 -0.67 -4.90 118.70 120.67 2dya s GLU 8 Ca 0.58 -1.44 0.05 0.00 -0.15 0.00 0.00 54.97 54.02 2dya s GLU 8 Cb -0.26 0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 33.57 2dya s GLU 8 CO 0.21 -0.23 -0.15 1.03 0.95 0.00 0.00 175.26 177.07 2dya s ARG 9 N -4.02 2.28 0.08 -4.83 0.52 -1.26 -1.97 118.95 109.76 2dya s ARG 9 Ca 0.23 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 2dya s ARG 9 Cb 0.07 -2.29 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 2dya s ARG 9 CO 0.01 0.58 -0.10 -0.08 0.02 0.00 0.00 175.30 175.72 2dya s THR 10 N -0.87 0.91 -0.21 0.02 -1.32 -0.48 -4.72 115.64 108.97 2dya s THR 10 Ca 0.14 -1.50 -0.09 0.00 -1.21 0.00 0.00 61.69 59.03 2dya s THR 10 Cb -0.11 -1.20 -0.05 0.00 -1.51 0.00 0.00 72.50 69.64 2dya s THR 10 CO 0.04 -0.47 0.12 -0.22 -2.21 0.00 0.00 174.62 171.87 2dya s LEU 11 N -2.19 4.01 0.02 9.08 1.98 -1.26 -1.31 118.68 129.00 2dya s LEU 11 Ca 0.02 0.11 0.09 0.00 -2.89 0.00 0.00 54.13 51.46 2dya s LEU 11 Cb -0.05 -2.05 -0.02 0.00 0.66 0.00 0.00 46.19 44.73 2dya s LEU 11 CO 0.00 0.12 -0.26 -0.69 -1.89 0.00 0.00 176.35 173.64 2dya s VAL 12 N 0.69 2.06 -0.15 1.68 1.01 0.33 -2.10 120.40 123.93 2dya s VAL 12 Ca 0.06 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.80 2dya s VAL 12 Cb -0.13 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2dya s VAL 12 CO 0.01 0.45 -0.16 -0.63 0.00 0.00 0.00 175.10 174.78 2dya s ILE 13 N -0.71 1.67 -0.58 2.22 1.01 -0.65 -0.95 121.20 123.21 2dya s ILE 13 Ca 0.11 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.81 2dya s ILE 13 Cb -0.10 -1.54 0.05 0.00 0.01 0.00 0.00 42.46 40.88 2dya s ILE 13 CO 0.01 0.48 0.96 -0.63 0.00 0.00 0.00 174.94 175.75 2dya s ILE 14 N 1.33 4.35 0.88 2.92 1.01 0.07 -0.49 121.20 131.27 2dya s ILE 14 Ca 0.02 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 2dya s ILE 14 Cb -0.13 -4.59 0.12 0.00 0.01 0.00 0.00 42.46 37.87 2dya s ILE 14 CO -0.09 -1.22 1.14 -0.54 0.00 0.00 0.00 174.94 174.23 2dya s LYS 15 N 4.04 1.30 0.32 2.79 1.02 -0.48 -2.61 119.74 126.13 2dya s LYS 15 Ca 0.29 1.50 0.11 0.00 0.02 0.00 0.00 55.97 57.89 2dya s LYS 15 Cb -0.13 -1.76 0.95 0.00 -0.52 0.00 0.00 37.83 36.36 2dya s LYS 15 CO 0.17 -2.41 1.70 -1.35 -0.92 0.00 0.00 175.35 172.54 2dya h PRO 16 N -1.64 0.47 -0.61 -1.68 0.11 -1.82 0.57 132.00 127.41 2dya h PRO 16 Ca -0.43 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2dya h PRO 16 Cb 1.26 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2dya h PRO 16 CO 0.44 0.31 0.19 0.38 -0.21 0.00 0.00 178.00 179.11 2dya h ASP 17 N 0.49 0.85 -0.40 -2.05 2.03 -1.90 -0.18 116.42 115.26 2dya h ASP 17 Ca 0.67 -0.14 -0.13 0.00 -0.73 0.00 0.00 57.03 56.70 2dya h ASP 17 Cb 1.37 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.64 2dya h ASP 17 CO -0.52 0.80 -0.27 0.00 -1.03 0.00 0.00 179.24 178.21 2dya h ALA 18 N 1.32 0.57 0.08 4.15 0.00 -1.13 -2.14 119.26 122.10 2dya h ALA 18 Ca 0.20 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2dya h ALA 18 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dya h ALA 18 CO -0.01 0.59 -0.04 0.28 0.00 0.00 0.00 179.25 180.07 2dya h VAL 19 N 0.70 1.01 -0.89 0.00 2.07 -1.01 -1.13 116.25 117.01 2dya h VAL 19 Ca 0.08 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.32 2dya h VAL 19 Cb 0.85 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 2dya h VAL 19 CO 0.07 0.08 0.59 0.58 0.02 0.00 0.00 177.57 178.91 2dya h VAL 20 N -0.25 1.18 -0.00 2.57 2.07 -1.04 -1.92 116.25 118.85 2dya h VAL 20 Ca -0.01 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2dya h VAL 20 Cb 0.21 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 2dya h VAL 20 CO 0.02 0.21 -0.01 0.54 0.02 0.00 0.00 177.57 178.34 2dya n ARG 21 N -4.43 0.98 -3.02 1.57 1.74 -0.81 -4.93 116.66 107.76 2dya n ARG 21 Ca 0.11 -0.16 -0.12 0.00 -0.77 0.00 0.00 57.85 56.92 2dya n ARG 21 Cb 0.08 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.06 2dya n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dya n GLY 22 N 1.09 0.12 0.72 -0.13 0.00 -0.72 -4.96 105.19 101.31 2dya n GLY 22 Ca 0.21 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.13 2dya n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dya n LEU 23 N -2.87 2.73 -0.06 0.99 4.77 -0.47 -4.69 117.00 117.40 2dya n LEU 23 Ca -0.03 -1.51 -0.07 0.00 -0.03 0.00 0.00 56.01 54.37 2dya n LEU 23 Cb 0.54 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2dya n LEU 23 CO 0.34 0.61 0.72 0.40 -1.33 0.00 0.00 177.39 178.13 2dya h ILE 24 N 2.78 0.45 -0.75 -0.08 2.04 -1.89 -1.70 117.51 118.36 2dya h ILE 24 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2dya h ILE 24 Cb 0.71 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2dya h ILE 24 CO 0.00 0.00 0.37 1.23 0.00 0.00 0.00 178.15 179.75 2dya h GLY 25 N -0.19 1.14 0.98 5.37 0.00 -1.97 -1.39 103.07 107.02 2dya h GLY 25 Ca 0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2dya h GLY 25 CO -0.39 0.53 0.17 0.83 0.00 0.00 0.00 176.54 177.68 2dya h GLU 26 N 1.04 0.82 -0.12 4.80 5.08 -1.81 -0.30 114.58 124.09 2dya h GLU 26 Ca 0.26 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2dya h GLU 26 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2dya h GLU 26 CO -0.03 0.76 0.04 0.82 -1.00 0.00 0.00 179.01 179.59 2dya h ILE 27 N 0.73 1.18 -0.89 3.13 2.04 -1.18 -2.68 117.51 119.84 2dya h ILE 27 Ca 0.17 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.51 2dya h ILE 27 Cb 0.28 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 2dya h ILE 27 CO -0.01 0.17 0.57 0.40 0.00 0.00 0.00 178.15 179.28 2dya h ILE 28 N 0.01 1.13 -0.54 -0.67 2.04 -1.10 -2.32 117.51 116.06 2dya h ILE 28 Ca 0.04 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2dya h ILE 28 Cb 0.23 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 2dya h ILE 28 CO -0.00 0.20 0.30 0.28 0.00 0.00 0.00 178.15 178.93 2dya h SER 29 N 1.10 0.66 -0.95 1.72 0.02 -0.87 -1.66 113.55 113.56 2dya h SER 29 Ca 0.36 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 2dya h SER 29 Cb 0.04 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.36 2dya h SER 29 CO -0.13 0.53 0.63 0.03 -1.14 0.00 0.00 176.83 176.75 2dya h ARG 30 N 0.75 1.25 -0.10 3.45 3.08 -1.08 0.13 114.38 121.86 2dya h ARG 30 Ca 0.19 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 2dya h ARG 30 Cb 0.01 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.78 2dya h ARG 30 CO -0.03 0.82 -0.31 0.74 -1.07 0.00 0.00 179.97 180.12 2dya h PHE 31 N 1.28 0.50 -0.88 3.04 0.04 -1.38 -2.53 116.94 117.01 2dya h PHE 31 Ca 0.35 -0.20 0.02 0.00 2.80 0.00 0.00 57.97 60.94 2dya h PHE 31 Cb -0.13 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 37.88 2dya h PHE 31 CO -0.00 0.92 0.58 0.93 -0.60 0.00 0.00 178.31 180.14 2dya h GLU 32 N -0.05 1.11 0.00 1.51 5.08 -1.00 -1.52 114.58 119.71 2dya h GLU 32 Ca -0.01 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2dya h GLU 32 Cb 0.93 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2dya h GLU 32 CO 0.07 0.74 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.28 2dya h LYS 33 N 1.14 0.00 0.00 2.33 1.63 -0.75 -2.32 116.57 118.61 2dya h LYS 33 Ca 0.34 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.08 2dya h LYS 33 Cb -0.05 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 2dya h LYS 33 CO -0.10 0.31 -0.27 -0.22 -3.45 0.00 0.00 179.45 175.72 2dya h LYS 34 N 0.00 0.00 0.00 1.90 1.63 -0.94 -3.47 116.57 115.70 2dya h LYS 34 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2dya h LYS 34 Cb 0.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 2dya h LYS 34 CO 0.04 0.27 0.00 0.41 -3.45 0.00 0.00 179.45 176.72 2dya n GLY 35 N 0.43 0.99 3.78 5.01 0.00 -0.87 -5.09 105.19 109.44 2dya n GLY 35 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2dya n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dya s LEU 36 N 0.00 4.23 -0.17 0.99 1.43 -0.64 -4.94 118.68 119.58 2dya s LEU 36 Ca 0.00 2.03 -0.06 0.00 -1.03 0.00 0.00 54.13 55.07 2dya s LEU 36 Cb 0.00 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 2dya s LEU 36 CO 0.00 -0.37 0.02 -0.75 0.23 0.00 0.00 176.35 175.48 2dya s LYS 37 N -2.28 3.86 -0.46 1.70 2.20 -0.18 -4.25 119.74 120.33 2dya s LYS 37 Ca 0.55 -0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 55.49 2dya s LYS 37 Cb -0.23 -3.10 0.03 0.00 -1.51 0.00 0.00 37.83 33.02 2dya s LYS 37 CO 0.29 0.27 0.97 0.42 -0.36 0.00 0.00 175.35 176.93 2dya s ILE 38 N 0.35 4.42 -2.12 5.43 1.01 -1.26 -0.17 121.20 128.87 2dya s ILE 38 Ca 0.00 0.88 0.18 0.00 0.00 0.00 0.00 60.65 61.71 2dya s ILE 38 Cb -0.13 -4.46 0.12 0.00 0.01 0.00 0.00 42.46 38.00 2dya s ILE 38 CO 0.01 -0.85 1.03 1.33 0.00 0.00 0.00 174.94 176.47 2dya n VAL 39 N 6.48 0.00 -3.62 2.92 0.24 -0.63 -4.96 118.33 118.76 2dya n VAL 39 Ca 0.07 -0.47 -0.08 0.00 -2.04 0.00 0.00 64.34 61.82 2dya n VAL 39 Cb 0.49 1.34 -0.06 0.00 -1.47 0.00 0.00 33.84 34.14 2dya n VAL 39 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2dya s GLY 40 N -1.55 -0.08 -0.25 7.63 0.00 -1.23 0.09 107.32 111.94 2dya s GLY 40 Ca 0.20 2.65 -0.28 0.00 0.00 0.00 0.00 44.72 47.29 2dya s GLY 40 CO 0.25 1.57 1.20 -0.29 0.00 0.00 0.00 173.10 175.83 2dya s MET 41 N -0.28 0.31 -0.24 2.90 0.00 -1.26 -0.81 119.30 119.92 2dya s MET 41 Ca 0.03 0.19 -0.28 0.00 0.00 0.00 0.00 55.69 55.63 2dya s MET 41 Cb -0.03 0.15 0.15 0.00 0.00 0.00 0.00 34.83 35.10 2dya s MET 41 CO -0.06 -0.07 1.17 -1.59 0.00 0.00 0.00 175.02 174.47 2dya s LYS 42 N -0.54 0.36 -0.08 4.11 -2.85 -0.60 -5.01 119.74 115.13 2dya s LYS 42 Ca 0.04 0.21 -0.23 0.00 -1.00 0.00 0.00 55.97 54.99 2dya s LYS 42 Cb -0.03 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.88 2dya s LYS 42 CO -0.07 -0.09 0.70 1.41 0.10 0.00 0.00 175.35 177.41 2dya s MET 43 N -0.55 4.41 0.18 1.78 -2.45 -1.26 -1.73 119.30 119.68 2dya s MET 43 Ca 0.03 0.87 -0.02 0.00 -1.25 0.00 0.00 55.69 55.32 2dya s MET 43 Cb -0.03 -3.46 -0.04 0.00 1.25 0.00 0.00 34.83 32.55 2dya s MET 43 CO -0.06 0.02 0.12 0.96 1.05 0.00 0.00 175.02 177.12 2dya s ILE 44 N 0.95 0.04 -0.32 10.11 -4.36 -0.50 -4.97 121.20 122.16 2dya s ILE 44 Ca 0.37 -1.93 0.03 0.00 -0.26 0.00 0.00 60.65 58.86 2dya s ILE 44 Cb -0.17 -2.31 0.09 0.00 1.25 0.00 0.00 42.46 41.32 2dya s ILE 44 CO 0.17 -0.17 0.02 0.86 0.24 0.00 0.00 174.94 176.06 2dya s TRP 45 N -4.11 3.36 0.22 1.37 -0.11 -1.26 -0.38 118.94 118.03 2dya s TRP 45 Ca 0.32 -2.67 -0.30 0.00 1.22 0.00 0.00 56.10 54.68 2dya s TRP 45 Cb 0.07 -2.54 -0.09 0.00 -1.50 0.00 0.00 33.47 29.41 2dya s TRP 45 CO 0.08 -0.92 1.32 0.42 -4.62 0.00 0.00 176.95 173.23 2dya s ILE 46 N 1.05 3.09 0.38 5.86 1.01 -1.26 -5.04 121.20 126.30 2dya s ILE 46 Ca 0.07 0.93 0.06 0.00 0.00 0.00 0.00 60.65 61.71 2dya s ILE 46 Cb -0.19 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 2dya s ILE 46 CO -0.09 0.15 0.54 1.51 0.00 0.00 0.00 174.94 177.05 2dya s ASP 47 N 0.21 5.82 0.25 3.58 3.84 -1.26 -4.55 116.67 124.56 2dya s ASP 47 Ca 0.56 -0.20 -0.02 0.00 -0.00 0.00 0.00 52.55 52.88 2dya s ASP 47 Cb -0.37 -1.07 0.50 0.00 -1.38 0.00 0.00 42.92 40.60 2dya s ASP 47 CO 0.41 -0.60 1.74 0.03 -0.00 0.00 0.00 175.17 176.75 2dya h ARG 48 N 0.72 0.49 -0.03 2.11 3.08 -1.96 -0.78 114.38 118.01 2dya h ARG 48 Ca -0.44 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.59 2dya h ARG 48 Cb 1.27 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2dya h ARG 48 CO 0.51 0.33 -0.04 1.49 -1.07 0.00 0.00 179.97 181.19 2dya h GLU 49 N 0.51 -0.05 -0.56 0.04 4.81 -2.00 -0.78 114.58 116.56 2dya h GLU 49 Ca 0.44 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.57 2dya h GLU 49 Cb 0.66 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2dya h GLU 49 CO -0.39 -0.03 -0.08 1.25 -0.73 0.00 0.00 179.01 179.03 2dya h LEU 50 N -0.05 1.03 -0.74 1.64 5.85 -1.88 -2.86 115.31 118.30 2dya h LEU 50 Ca 0.03 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2dya h LEU 50 Cb 0.09 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 2dya h LEU 50 CO -0.06 1.12 0.47 0.00 -0.34 0.00 0.00 178.44 179.63 2dya h ALA 51 N 0.97 0.94 -0.05 1.25 0.00 -0.91 -1.88 119.26 119.57 2dya h ALA 51 Ca 0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2dya h ALA 51 Cb 0.64 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dya h ALA 51 CO 0.04 0.38 -0.35 0.93 0.00 0.00 0.00 179.25 180.25 2dya h GLU 52 N 1.00 0.11 -0.37 0.00 5.08 -1.05 -0.78 114.58 118.57 2dya h GLU 52 Ca 0.27 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 2dya h GLU 52 Cb -0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2dya h GLU 52 CO -0.05 0.45 -0.22 0.87 -1.00 0.00 0.00 179.01 179.05 2dya h LYS 53 N 0.09 0.80 -0.25 2.33 1.57 -1.22 -0.91 116.57 118.98 2dya h LYS 53 Ca 0.01 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2dya h LYS 53 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2dya h LYS 53 CO 0.05 0.99 0.12 1.25 -0.57 0.00 0.00 179.45 181.29 2dya h HIS 54 N 0.59 0.37 -1.00 -1.35 2.76 -0.97 -3.06 115.15 112.49 2dya h HIS 54 Ca 0.08 -0.02 -0.62 0.00 -2.20 0.00 0.00 60.37 57.61 2dya h HIS 54 Cb 0.78 -0.11 -0.30 0.00 1.55 0.00 0.00 27.41 29.33 2dya h HIS 54 CO 0.06 0.35 0.80 0.66 -1.30 0.00 0.00 177.93 178.50 2dya n TYR 55 N -4.81 3.18 -0.33 5.26 4.01 -0.33 -4.71 117.16 119.42 2dya n TYR 55 Ca -0.03 -2.59 0.11 0.00 -0.16 0.00 0.00 57.90 55.23 2dya n TYR 55 Cb 0.10 -1.27 0.31 0.00 -0.31 0.00 0.00 39.34 38.18 2dya n TYR 55 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2dya h GLU 56 N 1.62 0.80 0.00 -0.72 4.11 -1.06 -1.79 114.58 117.54 2dya h GLU 56 Ca 0.62 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 60.00 2dya h GLU 56 Cb 1.59 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.66 2dya h GLU 56 CO 1.41 0.53 0.01 1.05 0.07 0.00 0.00 179.01 182.08 2dya h GLU 57 N 0.82 0.00 -0.25 1.06 4.11 -1.87 -2.31 114.58 116.15 2dya h GLU 57 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 2dya h GLU 57 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2dya h GLU 57 CO -0.28 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.52 2dya n HIS 58 N -2.71 0.31 -0.24 2.06 8.25 -0.67 -4.63 115.22 117.58 2dya n HIS 58 Ca -0.02 -0.20 0.28 0.00 -0.26 0.00 0.00 57.72 57.52 2dya n HIS 58 Cb 0.06 -0.00 0.66 0.00 1.12 0.00 0.00 29.99 31.83 2dya n HIS 58 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2dya h ARG 59 N 3.56 0.12 -0.47 -0.41 2.43 -1.49 -0.13 114.38 117.99 2dya h ARG 59 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2dya h ARG 59 Cb 0.82 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2dya h ARG 59 CO 0.00 0.08 0.00 0.39 -1.51 0.00 0.00 179.97 178.93 2dya n GLU 60 N -4.34 2.24 -3.77 0.20 -0.58 -1.26 -4.90 120.64 108.21 2dya n GLU 60 Ca 0.21 -1.90 -0.29 0.00 -0.42 0.00 0.00 57.16 54.75 2dya n GLU 60 Cb 0.97 -1.44 -0.04 0.00 -0.57 0.00 0.00 31.44 30.37 2dya n GLU 60 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2dya s LYS 61 N -1.38 3.52 0.36 3.49 1.02 -0.06 -5.01 119.74 121.68 2dya s LYS 61 Ca 0.36 -0.32 0.08 0.00 0.02 0.00 0.00 55.97 56.12 2dya s LYS 61 Cb 0.20 -2.91 0.80 0.00 -0.52 0.00 0.00 37.83 35.40 2dya s LYS 61 CO 0.26 0.49 1.90 -1.35 -0.92 0.00 0.00 175.35 175.73 2dya h PRO 62 N 2.55 0.68 -0.22 -1.68 0.11 -1.92 -2.30 132.00 129.22 2dya h PRO 62 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2dya h PRO 62 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2dya h PRO 62 CO 0.72 0.45 0.00 1.97 -0.21 0.00 0.00 178.00 180.93 2dya n PHE 63 N -4.53 0.28 0.18 0.65 1.16 -1.26 -4.52 117.46 109.43 2dya n PHE 63 Ca 0.15 -0.14 -0.15 0.00 -1.87 0.00 0.00 57.45 55.44 2dya n PHE 63 Cb 0.40 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.19 2dya n PHE 63 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2dya h PHE 64 N 1.85 -1.24 -0.53 2.97 3.57 -1.63 -0.69 116.94 121.25 2dya h PHE 64 Ca 0.00 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.63 2dya h PHE 64 Cb 0.41 0.50 -0.09 0.00 2.79 0.00 0.00 35.95 39.56 2dya h PHE 64 CO 0.14 -0.54 -0.02 -0.22 -2.23 0.00 0.00 178.31 175.44 2dya h LYS 65 N -0.76 0.09 -0.08 1.11 3.64 -1.83 0.00 116.57 118.74 2dya h LYS 65 Ca -0.03 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2dya h LYS 65 Cb 0.70 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2dya h LYS 65 CO -0.13 0.06 -0.07 0.00 -2.27 0.00 0.00 179.45 177.04 2dya h ALA 66 N 1.49 1.74 -0.19 5.00 0.00 -1.82 -0.38 119.26 125.10 2dya h ALA 66 Ca 0.27 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2dya h ALA 66 Cb 0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dya h ALA 66 CO -0.47 0.20 -0.56 1.25 0.00 0.00 0.00 179.25 179.67 2dya h LEU 67 N 0.12 0.66 -0.42 0.00 5.85 0.54 -1.26 115.31 120.79 2dya h LEU 67 Ca 0.03 -0.36 -0.18 0.00 0.84 0.00 0.00 57.88 58.21 2dya h LEU 67 Cb 0.20 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 2dya h LEU 67 CO 0.01 1.08 -0.61 0.40 -0.34 0.00 0.00 178.44 178.98 2dya h ILE 68 N 0.45 1.32 -0.61 4.05 1.08 -0.38 -1.61 117.51 121.81 2dya h ILE 68 Ca 0.01 -1.87 -0.06 0.00 -0.39 0.00 0.00 64.86 62.55 2dya h ILE 68 Cb 1.12 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 36.67 2dya h ILE 68 CO 0.11 0.58 0.14 0.44 -0.69 0.00 0.00 178.15 178.73 2dya h ASP 69 N 0.46 0.93 0.23 1.72 3.32 -0.99 -2.59 116.42 119.48 2dya h ASP 69 Ca -0.00 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 2dya h ASP 69 Cb 1.18 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2dya h ASP 69 CO 0.12 0.92 -0.11 0.22 -1.72 0.00 0.00 179.24 178.67 2dya h TYR 70 N 0.89 -0.28 0.00 4.55 3.20 -1.08 -1.71 116.97 122.54 2dya h TYR 70 Ca 0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2dya h TYR 70 Cb 0.36 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2dya h TYR 70 CO 0.03 -0.05 0.00 0.97 -1.64 0.00 0.00 178.16 177.46 2dya h ILE 71 N -0.47 0.00 -0.44 1.81 6.09 -1.31 -2.52 117.51 120.66 2dya h ILE 71 Ca -0.03 -0.39 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 2dya h ILE 71 Cb 0.36 1.37 0.00 0.00 0.47 0.00 0.00 36.82 39.02 2dya h ILE 71 CO 0.05 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.48 2dya n THR 72 N -3.04 0.81 -0.10 2.19 -2.24 -0.98 -4.65 114.28 106.27 2dya n THR 72 Ca -0.00 -0.90 -0.09 0.00 -2.27 0.00 0.00 64.05 60.79 2dya n THR 72 Cb 0.25 0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 2dya n THR 72 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2dya h LYS 73 N 3.17 0.43 -4.50 -0.78 3.64 -0.85 -3.46 116.57 114.22 2dya h LYS 73 Ca 0.00 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.01 2dya h LYS 73 Cb 0.83 -0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 32.44 2dya h LYS 73 CO 0.00 0.31 -0.39 0.95 -2.27 0.00 0.00 179.45 178.05 2dya s THR 74 N -6.06 0.00 0.89 1.00 -4.23 -1.26 -5.12 115.64 100.86 2dya s THR 74 Ca -0.13 -1.83 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 2dya s THR 74 Cb 0.10 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 71.54 2dya s THR 74 CO 0.71 0.00 1.12 -2.84 -0.54 0.00 0.00 174.62 173.08 2dya s PRO 75 N -3.49 1.22 0.34 3.99 0.02 -1.26 -4.71 135.00 131.10 2dya s PRO 75 Ca 0.36 1.38 0.03 0.00 0.02 0.00 0.00 61.00 62.79 2dya s PRO 75 Cb 0.02 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.74 2dya s PRO 75 CO 0.21 -2.44 0.13 0.14 -0.33 0.00 0.00 177.00 174.71 2dya s VAL 76 N -2.71 0.59 -0.22 3.83 -7.23 0.49 -4.42 120.40 110.73 2dya s VAL 76 Ca 0.65 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 2dya s VAL 76 Cb -0.21 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.25 2dya s VAL 76 CO 0.58 0.00 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.53 2dya s VAL 77 N -3.43 2.11 -0.14 1.32 1.01 -1.07 -1.41 120.40 118.79 2dya s VAL 77 Ca 0.32 -1.30 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 2dya s VAL 77 Cb 0.05 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2dya s VAL 77 CO 0.16 0.24 0.12 0.68 0.00 0.00 0.00 175.10 176.30 2dya s VAL 78 N 1.19 5.35 0.04 2.92 -7.23 -0.70 -0.75 120.40 121.23 2dya s VAL 78 Ca -0.02 0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 60.19 2dya s VAL 78 Cb -0.17 -3.36 0.01 0.00 0.56 0.00 0.00 36.38 33.42 2dya s VAL 78 CO -0.09 0.56 0.25 0.00 -0.31 0.00 0.00 175.10 175.52 2dya s MET 79 N -0.55 0.76 -0.18 4.82 0.23 -0.12 -1.55 119.30 122.72 2dya s MET 79 Ca 0.12 -0.57 -0.02 0.00 -1.03 0.00 0.00 55.69 54.19 2dya s MET 79 Cb -0.12 0.32 -0.01 0.00 -1.53 0.00 0.00 34.83 33.49 2dya s MET 79 CO 0.02 -0.23 -0.08 0.08 -2.03 0.00 0.00 175.02 172.77 2dya s VAL 80 N -2.58 3.24 -0.12 5.16 1.01 0.01 -0.51 120.40 126.61 2dya s VAL 80 Ca -0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2dya s VAL 80 Cb -0.01 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2dya s VAL 80 CO -0.04 0.48 -0.03 -0.76 0.00 0.00 0.00 175.10 174.75 2dya s LEU 81 N 0.89 3.34 -0.03 3.92 1.43 -0.42 -1.60 118.68 126.21 2dya s LEU 81 Ca -0.02 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2dya s LEU 81 Cb -0.15 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 2dya s LEU 81 CO 0.00 0.25 -0.21 -0.70 0.23 0.00 0.00 176.35 175.93 2dya s GLU 82 N -0.15 2.29 0.00 1.70 2.12 0.76 -1.38 118.70 124.05 2dya s GLU 82 Ca 0.03 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.53 2dya s GLU 82 Cb -0.13 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.08 2dya s GLU 82 CO 0.02 0.57 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 2dya n GLY 83 N 2.42 1.11 3.66 -1.50 0.00 -0.83 -1.01 105.19 109.03 2dya n GLY 83 Ca -0.17 -1.04 -0.47 0.00 0.00 0.00 0.00 46.02 44.34 2dya n GLY 83 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dya n ARG 84 N -0.65 2.17 -4.12 1.61 0.63 -1.26 -1.67 116.66 113.37 2dya n ARG 84 Ca 0.00 0.77 -0.33 0.00 -0.92 0.00 0.00 57.85 57.37 2dya n ARG 84 Cb 0.00 -2.72 -0.01 0.00 0.45 0.00 0.00 32.46 30.18 2dya n ARG 84 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2dya n TYR 85 N 7.37 -1.87 -0.34 -0.14 4.01 0.11 -4.84 117.16 121.46 2dya n TYR 85 Ca 0.24 0.82 0.15 0.00 -0.16 0.00 0.00 57.90 58.95 2dya n TYR 85 Cb 0.31 -3.30 0.36 0.00 -0.31 0.00 0.00 39.34 36.40 2dya n TYR 85 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dya h ALA 86 N 0.92 1.76 0.94 -0.72 0.00 -1.51 -2.33 119.26 118.32 2dya h ALA 86 Ca -0.59 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2dya h ALA 86 Cb 1.38 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2dya h ALA 86 CO 0.74 -0.15 -0.48 0.28 0.00 0.00 0.00 179.25 179.64 2dya h VAL 87 N 0.69 0.00 -0.08 0.00 2.07 -1.86 -0.94 116.25 116.14 2dya h VAL 87 Ca 0.59 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 68.04 2dya h VAL 87 Cb 1.01 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2dya h VAL 87 CO -0.38 0.00 -0.26 1.05 0.02 0.00 0.00 177.57 178.00 2dya h GLU 88 N -1.29 0.14 -0.00 1.57 4.11 -1.88 -2.32 114.58 114.90 2dya h GLU 88 Ca -0.13 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.26 2dya h GLU 88 Cb 1.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2dya h GLU 88 CO 0.19 0.39 0.00 0.28 0.07 0.00 0.00 179.01 179.94 2dya h VAL 89 N 0.12 1.24 -0.69 -1.06 2.07 -1.35 -1.12 116.25 115.48 2dya h VAL 89 Ca 0.02 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 2dya h VAL 89 Cb 0.53 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2dya h VAL 89 CO 0.04 0.19 0.24 0.58 0.02 0.00 0.00 177.57 178.63 2dya h VAL 90 N -0.29 1.25 -0.91 2.57 2.07 -1.10 0.61 116.25 120.45 2dya h VAL 90 Ca 0.00 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 2dya h VAL 90 Cb 0.31 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2dya h VAL 90 CO 0.00 0.32 0.51 0.03 0.02 0.00 0.00 177.57 178.45 2dya h ARG 91 N 1.01 1.26 -0.47 1.57 2.47 -1.35 0.11 114.38 118.98 2dya h ARG 91 Ca 0.23 -0.14 -0.07 0.00 -1.26 0.00 0.00 59.98 58.74 2dya h ARG 91 Cb 0.25 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 2dya h ARG 91 CO -0.01 0.91 0.03 -0.22 0.56 0.00 0.00 179.97 181.24 2dya h LYS 92 N 1.27 0.82 -0.22 0.04 3.64 -0.45 -2.51 116.57 119.16 2dya h LYS 92 Ca 0.32 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2dya h LYS 92 Cb 0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2dya h LYS 92 CO -0.05 0.85 -0.20 0.52 -2.27 0.00 0.00 179.45 178.30 2dya h MET 93 N 0.68 0.39 0.09 1.90 2.86 -0.27 -3.23 114.93 117.36 2dya h MET 93 Ca 0.14 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2dya h MET 93 Cb 0.47 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2dya h MET 93 CO 0.02 0.58 -0.05 0.00 1.06 0.00 0.00 176.91 178.53 2dya h ALA 94 N 1.43 -0.13 0.00 6.32 0.00 -0.56 0.33 119.26 126.65 2dya h ALA 94 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2dya h ALA 94 Cb 0.56 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2dya h ALA 94 CO 0.04 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.33 2dya n GLY 95 N -0.06 0.38 3.59 0.00 0.00 -0.97 -1.17 105.19 106.97 2dya n GLY 95 Ca -0.09 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 2dya n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dya n ALA 96 N 0.93 -0.01 -0.22 4.61 0.00 -1.26 -4.90 120.51 119.66 2dya n ALA 96 Ca 0.00 0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.59 2dya n ALA 96 Cb 0.00 -2.05 0.13 0.00 0.00 0.00 0.00 19.45 17.53 2dya n ALA 96 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2dya h THR 97 N 1.08 0.70 -3.54 0.00 2.02 -1.96 -3.36 112.91 107.85 2dya h THR 97 Ca -0.46 -0.13 -0.62 0.00 0.77 0.00 0.00 66.41 65.97 2dya h THR 97 Cb 1.35 0.28 -0.12 0.00 -1.74 0.00 0.00 68.15 67.92 2dya h THR 97 CO 0.54 0.07 0.24 -0.62 0.37 0.00 0.00 175.52 176.12 2dya s ASP 98 N -5.36 6.50 0.47 4.18 -1.08 -1.26 -4.76 116.67 115.35 2dya s ASP 98 Ca -0.13 0.29 0.25 0.00 -0.52 0.00 0.00 52.55 52.44 2dya s ASP 98 Cb 0.18 -2.36 1.28 0.00 -1.46 0.00 0.00 42.92 40.56 2dya s ASP 98 CO 0.75 -0.63 1.84 -0.65 0.52 0.00 0.00 175.17 177.00 2dya h PRO 99 N 8.41 0.21 0.00 4.34 0.11 -1.85 -0.34 132.00 142.89 2dya h PRO 99 Ca -0.26 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 2dya h PRO 99 Cb 1.10 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2dya h PRO 99 CO 0.86 0.14 -0.07 1.57 -0.21 0.00 0.00 178.00 180.29 2dya h LYS 100 N 0.22 0.00 -0.00 1.05 2.10 -1.85 -2.30 116.57 115.79 2dya h LYS 100 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 2dya h LYS 100 Cb 1.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.90 2dya h LYS 100 CO -0.13 0.07 -0.83 -0.25 -2.00 0.00 0.00 179.45 176.31 2dya n ASP 101 N -3.30 1.11 -4.74 7.07 8.00 -0.16 -4.95 116.55 119.59 2dya n ASP 101 Ca -0.01 -0.99 -0.41 0.00 0.71 0.00 0.00 54.79 54.09 2dya n ASP 101 Cb 0.26 0.79 -0.04 0.00 -0.02 0.00 0.00 41.12 42.12 2dya n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dya s ALA 102 N -2.90 3.41 0.44 2.24 0.00 -0.87 -4.75 121.76 119.33 2dya s ALA 102 Ca 0.11 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 52.72 2dya s ALA 102 Cb 0.17 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 2dya s ALA 102 CO 0.79 -0.27 1.17 0.00 0.00 0.00 0.00 175.76 177.45 2dya s ALA 103 N -0.37 3.05 0.36 0.00 0.00 -1.26 -4.45 121.76 119.09 2dya s ALA 103 Ca 0.50 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 53.13 2dya s ALA 103 Cb -0.31 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 2dya s ALA 103 CO 0.37 -0.62 1.50 -2.14 0.00 0.00 0.00 175.76 174.87 2dya s PRO 104 N -2.53 4.12 0.00 0.00 0.02 -1.26 -2.16 135.00 133.19 2dya s PRO 104 Ca 0.61 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.19 2dya s PRO 104 Cb -0.30 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.24 2dya s PRO 104 CO 0.37 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 2dya n GLY 105 N 0.74 1.80 3.91 0.52 0.00 -1.26 -4.98 105.19 105.92 2dya n GLY 105 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2dya n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dya s THR 106 N -2.03 3.96 0.06 2.61 -4.23 -0.92 -4.90 115.64 110.20 2dya s THR 106 Ca 0.00 0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.41 2dya s THR 106 Cb 0.00 -3.56 -0.15 0.00 1.34 0.00 0.00 72.50 70.13 2dya s THR 106 CO 0.00 -0.60 1.57 0.40 -0.54 0.00 0.00 174.62 175.45 2dya h ILE 107 N -0.14 1.16 -0.27 2.99 2.04 -0.94 0.37 117.51 122.72 2dya h ILE 107 Ca -0.46 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 64.81 2dya h ILE 107 Cb 1.24 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2dya h ILE 107 CO 0.61 0.14 -0.28 0.03 0.00 0.00 0.00 178.15 178.65 2dya h ARG 108 N -0.09 0.54 -0.67 2.37 3.08 -1.38 -0.57 114.38 117.65 2dya h ARG 108 Ca 0.02 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 2dya h ARG 108 Cb 0.20 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 2dya h ARG 108 CO -0.00 0.77 0.13 0.78 -1.07 0.00 0.00 179.97 180.58 2dya h GLY 109 N 1.03 1.18 1.27 0.04 0.00 -1.66 -0.25 103.07 104.68 2dya h GLY 109 Ca 0.06 -0.77 -0.29 0.00 0.00 0.00 0.00 47.33 46.34 2dya h GLY 109 CO 0.06 0.71 -1.51 -0.55 0.00 0.00 0.00 176.54 175.25 2dya h ASP 110 N 1.02 0.19 0.00 0.19 3.32 -0.80 -3.41 116.42 116.94 2dya h ASP 110 Ca 0.21 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2dya h ASP 110 Cb 0.41 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2dya h ASP 110 CO 0.01 1.25 -1.75 0.49 -1.72 0.00 0.00 179.24 177.52 2dya n PHE 111 N -3.31 0.00 -4.00 4.55 3.72 -0.23 -5.04 117.46 113.15 2dya n PHE 111 Ca -0.14 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.01 2dya n PHE 111 Cb 1.03 -0.40 -0.04 0.00 -0.94 0.00 0.00 39.48 39.13 2dya n PHE 111 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2dya s GLY 112 N -3.92 1.61 0.07 1.37 0.00 -0.11 -4.94 107.32 101.40 2dya s GLY 112 Ca -0.06 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.52 2dya s GLY 112 CO 0.65 -1.15 0.00 -0.10 0.00 0.00 0.00 173.10 172.51 2dya n LEU 113 N -0.67 -0.60 -4.76 0.66 7.94 -1.26 -4.59 117.00 113.71 2dya n LEU 113 Ca -0.08 0.34 -0.37 0.00 -1.11 0.00 0.00 56.01 54.79 2dya n LEU 113 Cb 0.55 0.82 0.01 0.00 0.53 0.00 0.00 43.42 45.33 2dya n LEU 113 CO 0.46 -0.01 0.88 -1.61 -1.11 0.00 0.00 177.39 176.00 2dya s GLU 114 N -1.56 3.56 0.21 1.96 0.41 -1.26 -4.73 118.70 117.29 2dya s GLU 114 Ca 0.00 1.91 0.01 0.00 -0.41 0.00 0.00 54.97 56.49 2dya s GLU 114 Cb 0.00 -2.35 -0.05 0.00 -1.78 0.00 0.00 34.13 29.95 2dya s GLU 114 CO 0.00 -0.76 0.05 0.14 -0.49 0.00 0.00 175.26 174.21 2dya s VAL 115 N -1.47 0.57 0.00 2.63 -7.23 -1.26 -4.32 120.40 109.32 2dya s VAL 115 Ca 0.66 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 2dya s VAL 115 Cb -0.32 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.24 2dya s VAL 115 CO 0.39 -0.23 0.00 -1.54 -0.31 0.00 0.00 175.10 173.41 2dya n SER 116 N -0.34 0.00 0.00 4.85 3.41 -1.26 -4.94 113.62 115.33 2dya n SER 116 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.70 2dya n SER 116 Cb 0.65 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.20 2dya n SER 116 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2dya n ASP 117 N 0.00 0.00 -4.45 4.04 5.68 -1.26 -4.64 116.55 115.91 2dya n ASP 117 Ca 0.00 0.03 -0.29 0.00 -0.50 0.00 0.00 54.79 54.04 2dya n ASP 117 Cb 0.00 -0.32 -0.12 0.00 -1.14 0.00 0.00 41.12 39.54 2dya n ASP 117 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dya s ALA 118 N -2.65 2.59 -0.84 2.12 0.00 -1.26 -4.85 121.76 116.88 2dya s ALA 118 Ca 0.21 -1.46 -0.24 0.00 0.00 0.00 0.00 51.96 50.47 2dya s ALA 118 Cb 0.16 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.82 2dya s ALA 118 CO 0.39 0.53 1.28 0.42 0.00 0.00 0.00 175.76 178.38 2dya s ILE 119 N -1.28 3.94 -0.03 0.00 1.01 -1.26 -4.76 121.20 118.83 2dya s ILE 119 Ca 0.18 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 2dya s ILE 119 Cb -0.10 -4.92 -0.06 0.00 0.01 0.00 0.00 42.46 37.39 2dya s ILE 119 CO 0.09 -1.81 1.56 0.00 0.00 0.00 0.00 174.94 174.78 2dya n ASN 121 N 6.35 1.45 0.00 0.00 0.23 -1.26 -4.50 115.26 117.52 2dya n ASN 121 Ca 0.16 -2.27 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 2dya n ASN 121 Cb 0.43 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 2dya n ASN 121 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2dya n VAL 122 N -0.42 0.00 -3.99 3.53 0.31 -1.26 -4.74 118.33 111.76 2dya n VAL 122 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.31 2dya n VAL 122 Cb 0.81 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.67 2dya n VAL 122 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2dya s ILE 123 N 0.00 0.06 0.07 2.52 -4.36 -1.26 -1.38 121.20 116.85 2dya s ILE 123 Ca 0.00 -1.46 0.09 0.00 -0.26 0.00 0.00 60.65 59.02 2dya s ILE 123 Cb 0.00 -1.90 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 2dya s ILE 123 CO 0.00 -0.28 -0.22 -2.28 0.24 0.00 0.00 174.94 172.40 2dya s HIS 124 N -3.98 2.45 -0.06 1.37 5.65 0.36 -4.91 115.29 116.17 2dya s HIS 124 Ca 0.19 -0.32 -0.04 0.00 0.25 0.00 0.00 55.06 55.14 2dya s HIS 124 Cb 0.04 -1.39 0.02 0.00 -1.18 0.00 0.00 32.58 30.08 2dya s HIS 124 CO 0.01 0.26 0.14 0.00 -0.65 0.00 0.00 174.74 174.50 2dya s ALA 125 N -0.96 -0.29 0.43 1.58 0.00 -1.26 -1.64 121.76 119.62 2dya s ALA 125 Ca 0.14 0.51 -0.25 0.00 0.00 0.00 0.00 51.96 52.37 2dya s ALA 125 Cb -0.10 -0.32 -0.10 0.00 0.00 0.00 0.00 23.12 22.60 2dya s ALA 125 CO 0.06 -0.10 1.17 0.43 0.00 0.00 0.00 175.76 177.31 2dya n SER 126 N 3.56 2.00 -0.38 0.00 7.64 -0.89 -4.92 113.62 120.64 2dya n SER 126 Ca -0.19 1.06 0.13 0.00 1.01 0.00 0.00 58.87 60.88 2dya n SER 126 Cb 0.56 -1.44 0.30 0.00 -1.01 0.00 0.00 64.21 62.62 2dya n SER 126 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2dya n ASP 127 N 0.23 1.43 -3.62 6.43 5.68 -1.26 -4.78 116.55 120.66 2dya n ASP 127 Ca 0.08 -1.18 -0.07 0.00 -0.50 0.00 0.00 54.79 53.12 2dya n ASP 127 Cb 0.40 0.18 -0.02 0.00 -1.14 0.00 0.00 41.12 40.54 2dya n ASP 127 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2dya s SER 128 N -2.39 -0.32 0.32 -1.12 1.04 -1.26 -4.96 113.70 105.01 2dya s SER 128 Ca 0.25 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.48 2dya s SER 128 Cb 0.19 0.50 0.54 0.00 0.10 0.00 0.00 66.02 67.35 2dya s SER 128 CO 0.49 -0.87 1.93 0.11 0.98 0.00 0.00 173.24 175.89 2dya h LYS 129 N 2.00 0.81 -0.31 4.02 1.57 -1.93 -1.02 116.57 121.72 2dya h LYS 129 Ca -0.24 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 2dya h LYS 129 Cb 1.25 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 2dya h LYS 129 CO 0.29 0.63 0.05 0.93 -0.57 0.00 0.00 179.45 180.77 2dya h GLU 130 N 0.81 0.51 -0.43 3.15 3.07 -1.96 -2.28 114.58 117.45 2dya h GLU 130 Ca 0.20 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 58.81 2dya h GLU 130 Cb 0.08 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 2dya h GLU 130 CO -0.03 0.61 -0.19 0.77 -1.40 0.00 0.00 179.01 178.77 2dya h SER 131 N 0.33 0.84 -0.36 1.42 0.02 -1.88 -2.66 113.55 111.26 2dya h SER 131 Ca 0.09 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2dya h SER 131 Cb 0.35 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2dya h SER 131 CO 0.01 1.01 0.24 0.00 -1.14 0.00 0.00 176.83 176.95 2dya h ALA 132 N 1.05 0.46 -0.35 3.77 0.00 -1.10 0.21 119.26 123.29 2dya h ALA 132 Ca 0.11 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2dya h ALA 132 Cb 0.71 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2dya h ALA 132 CO 0.05 -0.08 -0.03 0.93 0.00 0.00 0.00 179.25 180.12 2dya h GLU 133 N 0.49 0.06 -0.14 0.00 5.08 -1.27 0.19 114.58 118.99 2dya h GLU 133 Ca 0.13 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2dya h GLU 133 Cb -0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2dya h GLU 133 CO -0.03 0.04 0.07 -0.09 -1.00 0.00 0.00 179.01 178.01 2dya h ARG 134 N 0.07 0.19 -0.35 2.33 2.43 -1.08 -2.59 114.38 115.38 2dya h ARG 134 Ca 0.17 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 2dya h ARG 134 Cb 0.25 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2dya h ARG 134 CO -0.31 0.21 -0.19 0.93 -1.51 0.00 0.00 179.97 179.10 2dya h GLU 135 N 0.12 0.65 -0.60 0.20 5.08 -0.22 -2.65 114.58 117.15 2dya h GLU 135 Ca 0.05 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 2dya h GLU 135 Cb 0.08 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2dya h GLU 135 CO -0.01 0.80 0.12 0.82 -1.00 0.00 0.00 179.01 179.74 2dya h ILE 136 N 0.58 1.26 0.00 3.13 2.04 -0.57 -2.24 117.51 121.71 2dya h ILE 136 Ca 0.09 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 2dya h ILE 136 Cb 0.65 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2dya h ILE 136 CO 0.05 0.36 -0.16 0.28 0.00 0.00 0.00 178.15 178.67 2dya h SER 137 N 0.89 0.00 0.15 1.72 0.02 -1.34 0.21 113.55 115.21 2dya h SER 137 Ca 0.19 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.96 2dya h SER 137 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2dya h SER 137 CO 0.01 0.16 -0.64 0.25 -1.14 0.00 0.00 176.83 175.47 2dya h LEU 138 N 0.00 0.53 0.00 5.07 5.85 -1.05 -3.37 115.31 122.35 2dya h LEU 138 Ca -0.00 -0.32 -0.13 0.00 0.84 0.00 0.00 57.88 58.28 2dya h LEU 138 Cb 0.46 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2dya h LEU 138 CO 0.02 1.04 -1.81 0.49 -0.34 0.00 0.00 178.44 177.84 2dya n PHE 139 N -3.90 0.00 -4.32 1.25 3.72 -0.99 -5.04 117.46 108.17 2dya n PHE 139 Ca -0.04 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 2dya n PHE 139 Cb 0.65 -0.51 -0.13 0.00 -0.94 0.00 0.00 39.48 38.56 2dya n PHE 139 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2dya s PHE 140 N -2.67 1.75 0.24 1.38 0.08 0.69 -5.11 117.98 114.33 2dya s PHE 140 Ca -0.06 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.60 2dya s PHE 140 Cb 0.07 -0.97 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 2dya s PHE 140 CO 0.58 0.18 0.39 0.15 -0.10 0.00 0.00 175.22 176.43 2dya s LYS 141 N -1.79 3.47 0.51 0.44 1.02 -1.26 -4.45 119.74 117.67 2dya s LYS 141 Ca 0.06 -0.54 0.24 0.00 0.02 0.00 0.00 55.97 55.75 2dya s LYS 141 Cb -0.10 -2.85 1.33 0.00 -0.52 0.00 0.00 37.83 35.69 2dya s LYS 141 CO 0.04 0.38 1.96 -1.35 -0.92 0.00 0.00 175.35 175.46 2dya h PRO 142 N 1.47 0.10 0.00 -1.68 0.11 -1.97 -0.29 132.00 129.73 2dya h PRO 142 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2dya h PRO 142 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2dya h PRO 142 CO 0.64 0.06 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 2dya n GLU 143 N -4.39 0.26 -0.12 1.05 0.28 -1.26 -2.33 120.64 114.13 2dya n GLU 143 Ca 0.12 0.11 0.09 0.00 -0.16 0.00 0.00 57.16 57.32 2dya n GLU 143 Cb 0.64 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 32.15 2dya n GLU 143 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2dya n GLU 144 N -1.30 2.01 -4.80 3.44 1.02 -0.12 -4.91 120.64 115.98 2dya n GLU 144 Ca 0.09 -1.89 -0.33 0.00 -0.02 0.00 0.00 57.16 55.01 2dya n GLU 144 Cb 0.16 -1.37 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 2dya n GLU 144 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dya s LEU 145 N -1.26 2.72 0.13 -4.62 1.43 -0.98 -4.43 118.68 111.67 2dya s LEU 145 Ca 0.27 -0.30 0.10 0.00 -1.03 0.00 0.00 54.13 53.17 2dya s LEU 145 Cb 0.16 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2dya s LEU 145 CO 0.23 0.20 -0.23 -0.36 0.23 0.00 0.00 176.35 176.42 2dya s PHE 146 N 0.13 2.04 -0.23 0.29 0.08 0.11 -5.00 117.98 115.39 2dya s PHE 146 Ca -0.06 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.58 2dya s PHE 146 Cb -0.15 -1.09 0.03 0.00 -0.57 0.00 0.00 43.02 41.23 2dya s PHE 146 CO 0.05 0.29 -0.10 -2.00 -0.10 0.00 0.00 175.22 173.36 2dya s GLU 147 N -2.10 2.83 0.14 0.44 2.12 -1.26 -4.70 118.70 116.17 2dya s GLU 147 Ca 0.11 -0.97 -0.19 0.00 0.36 0.00 0.00 54.97 54.29 2dya s GLU 147 Cb -0.09 -2.88 0.05 0.00 0.26 0.00 0.00 34.13 31.46 2dya s GLU 147 CO 0.06 -0.36 0.48 1.52 -0.54 0.00 0.00 175.26 176.41 2dya s TYR 148 N 1.30 -0.31 0.09 5.30 -0.85 -1.26 -5.16 117.35 116.46 2dya s TYR 148 Ca 0.00 0.03 -0.23 0.00 -0.52 0.00 0.00 57.07 56.35 2dya s TYR 148 Cb -0.16 0.37 -0.07 0.00 0.38 0.00 0.00 41.96 42.49 2dya s TYR 148 CO -0.06 -0.77 0.70 -1.25 -1.52 0.00 0.00 175.55 172.65 2dya s PRO 149 N -3.79 4.43 0.44 -3.49 0.04 -1.26 -5.06 135.00 126.30 2dya s PRO 149 Ca 0.03 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.01 2dya s PRO 149 Cb 0.01 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2dya s PRO 149 CO -0.12 0.48 0.71 1.03 0.04 0.00 0.00 177.00 179.15 2dya s ARG 150 N -0.70 3.54 0.21 4.56 1.81 -1.26 -4.99 118.95 122.12 2dya s ARG 150 Ca 0.34 0.06 -0.19 0.00 -1.72 0.00 0.00 55.73 54.23 2dya s ARG 150 Cb -0.21 -2.46 0.18 0.00 -0.45 0.00 0.00 34.95 32.01 2dya s ARG 150 CO 0.22 -0.09 1.57 0.00 -0.68 0.00 0.00 175.30 176.33 2dya h ALA 151 N 0.46 0.07 -0.29 2.13 0.00 -2.03 -2.45 119.26 117.16 2dya h ALA 151 Ca -0.48 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dya h ALA 151 Cb 1.21 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2dya h ALA 151 CO 0.62 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2dya n ALA 152 N -3.28 2.47 -0.26 0.00 0.00 -1.26 -4.43 120.51 113.75 2dya n ALA 152 Ca 0.07 -0.55 0.04 0.00 0.00 0.00 0.00 53.44 53.00 2dya n ALA 152 Cb 0.38 -1.00 0.18 0.00 0.00 0.00 0.00 19.45 19.00 2dya n ALA 152 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2dya h ASP 153 N 1.92 0.36 -0.51 0.00 5.19 -1.83 -1.68 116.42 119.87 2dya h ASP 153 Ca 0.00 0.09 0.10 0.00 -0.62 0.00 0.00 57.03 56.60 2dya h ASP 153 Cb 0.43 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 2dya h ASP 153 CO 0.00 0.16 0.35 4.11 -3.12 0.00 0.00 179.24 180.74 2dya h TRP 154 N 0.51 0.30 -0.61 4.55 5.08 -1.82 -2.52 115.95 121.42 2dya h TRP 154 Ca 0.40 0.01 0.06 0.00 1.08 0.00 0.00 58.89 60.44 2dya h TRP 154 Cb 0.56 -0.10 -0.04 0.00 -3.00 0.00 0.00 29.16 26.59 2dya h TRP 154 CO -0.14 0.14 0.41 0.35 -1.28 0.00 0.00 178.44 177.92 2dya h PHE 155 N 0.28 0.62 0.00 0.12 3.57 -1.63 -2.77 116.94 117.14 2dya h PHE 155 Ca 0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2dya h PHE 155 Cb 0.56 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.10 2dya h PHE 155 CO -0.00 0.34 -0.63 0.66 -2.23 0.00 0.00 178.31 176.45 2dya n TYR 156 N -4.47 0.54 -2.57 0.41 4.01 -0.95 -4.93 117.16 109.20 2dya n TYR 156 Ca 0.08 0.16 -0.35 0.00 -0.16 0.00 0.00 57.90 57.63 2dya n TYR 156 Cb 0.21 -0.65 -0.04 0.00 -0.31 0.00 0.00 39.34 38.56 2dya n TYR 156 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2dya s LYS 157 N -3.16 3.97 0.00 -0.72 1.02 -1.05 -5.18 119.74 114.62 2dya s LYS 157 Ca 0.06 1.39 0.24 0.00 0.02 0.00 0.00 55.97 57.68 2dya s LYS 157 Cb 0.13 -2.25 0.25 0.00 -0.52 0.00 0.00 37.83 35.44 2dya s LYS 157 CO 0.72 -0.29 1.30 1.17 -0.92 0.00 0.00 175.35 177.32