#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 -6.33 -1.46 5.08 -2.00 -3.45 114.58 106.42 2dya h GLU 6 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2dya h GLU 6 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2dya h GLU 6 CO 0.00 0.00 1.00 0.99 -1.00 0.00 0.00 179.01 180.00 2dya s THR 7 N -3.13 3.50 0.21 1.13 2.01 -1.26 -0.30 115.64 117.80 2dya s THR 7 Ca 0.10 0.77 0.03 0.00 0.31 0.00 0.00 61.69 62.90 2dya s THR 7 Cb 0.11 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2dya s THR 7 CO 0.62 -0.04 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.88 2dya s GLU 8 N 3.27 1.25 -0.06 4.92 2.02 -0.71 -4.89 118.70 124.49 2dya s GLU 8 Ca 0.71 -1.61 0.04 0.00 0.02 0.00 0.00 54.97 54.13 2dya s GLU 8 Cb -0.34 -0.55 -0.00 0.00 0.10 0.00 0.00 34.13 33.34 2dya s GLU 8 CO 0.29 -0.07 -0.19 1.03 0.02 0.00 0.00 175.26 176.34 2dya s ARG 9 N -3.85 2.17 0.16 1.61 0.52 -1.26 -1.65 118.95 116.65 2dya s ARG 9 Ca 0.26 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 54.87 2dya s ARG 9 Cb 0.05 -1.79 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 2dya s ARG 9 CO 0.06 0.21 -0.18 -0.08 0.02 0.00 0.00 175.30 175.34 2dya s THR 10 N 0.18 1.78 -0.23 0.02 -1.32 -0.32 -4.71 115.64 111.04 2dya s THR 10 Ca -0.09 -1.91 -0.11 0.00 -1.21 0.00 0.00 61.69 58.36 2dya s THR 10 Cb -0.14 -1.83 -0.05 0.00 -1.51 0.00 0.00 72.50 68.97 2dya s THR 10 CO 0.04 -0.33 0.19 -0.22 -2.21 0.00 0.00 174.62 172.09 2dya s LEU 11 N -2.68 4.13 -0.05 9.08 1.98 -1.26 -1.44 118.68 128.44 2dya s LEU 11 Ca 0.15 0.18 0.06 0.00 -2.89 0.00 0.00 54.13 51.63 2dya s LEU 11 Cb -0.05 -2.16 -0.02 0.00 0.66 0.00 0.00 46.19 44.62 2dya s LEU 11 CO 0.06 0.06 -0.22 -0.69 -1.89 0.00 0.00 176.35 173.68 2dya s VAL 12 N 1.00 2.37 -0.14 1.68 1.01 0.11 -2.34 120.40 124.09 2dya s VAL 12 Ca 0.09 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2dya s VAL 12 Cb -0.13 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.39 2dya s VAL 12 CO 0.04 0.57 -0.16 -0.63 0.00 0.00 0.00 175.10 174.92 2dya s ILE 13 N -0.38 1.68 -0.66 2.22 1.01 -0.63 -0.96 121.20 123.48 2dya s ILE 13 Ca 0.03 -0.72 -0.22 0.00 0.00 0.00 0.00 60.65 59.74 2dya s ILE 13 Cb -0.12 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 40.88 2dya s ILE 13 CO 0.02 0.48 0.95 -0.63 0.00 0.00 0.00 174.94 175.76 2dya s ILE 14 N 1.25 4.35 0.96 2.92 1.01 0.16 -0.40 121.20 131.45 2dya s ILE 14 Ca 0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.16 2dya s ILE 14 Cb -0.14 -4.68 0.17 0.00 0.01 0.00 0.00 42.46 37.83 2dya s ILE 14 CO -0.08 -1.44 1.12 -0.54 0.00 0.00 0.00 174.94 174.00 2dya s LYS 15 N 4.00 0.68 0.39 2.79 1.02 -0.72 -2.57 119.74 125.33 2dya s LYS 15 Ca 0.22 1.39 0.20 0.00 0.02 0.00 0.00 55.97 57.79 2dya s LYS 15 Cb -0.17 -1.70 1.16 0.00 -0.52 0.00 0.00 37.83 36.60 2dya s LYS 15 CO 0.10 -2.81 1.72 -1.35 -0.92 0.00 0.00 175.35 172.09 2dya h PRO 16 N -1.99 0.32 -0.47 -1.68 0.11 -1.82 -1.25 132.00 125.22 2dya h PRO 16 Ca -0.47 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 2dya h PRO 16 Cb 1.28 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2dya h PRO 16 CO 0.44 0.21 -0.06 0.38 -0.21 0.00 0.00 178.00 178.75 2dya h ASP 17 N 0.33 0.80 -0.30 -2.05 2.03 -1.90 -0.45 116.42 114.86 2dya h ASP 17 Ca 0.67 -0.22 -0.18 0.00 -0.73 0.00 0.00 57.03 56.57 2dya h ASP 17 Cb 1.76 -0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 40.05 2dya h ASP 17 CO -0.38 0.90 -0.52 0.00 -1.03 0.00 0.00 179.24 178.21 2dya h ALA 18 N 1.18 0.47 -0.05 4.15 0.00 -1.45 -1.99 119.26 121.58 2dya h ALA 18 Ca 0.13 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2dya h ALA 18 Cb 0.54 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2dya h ALA 18 CO 0.03 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.25 2dya h VAL 19 N 0.68 1.16 -0.75 0.00 2.07 -1.27 0.19 116.25 118.33 2dya h VAL 19 Ca 0.02 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2dya h VAL 19 Cb 1.13 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 2dya h VAL 19 CO 0.12 0.13 0.42 0.58 0.02 0.00 0.00 177.57 178.84 2dya h VAL 20 N -0.11 1.22 -0.00 2.57 2.07 -1.11 -2.15 116.25 118.74 2dya h VAL 20 Ca 0.02 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2dya h VAL 20 Cb 0.19 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2dya h VAL 20 CO -0.00 0.24 -0.01 0.54 0.02 0.00 0.00 177.57 178.37 2dya n ARG 21 N -4.36 0.90 -3.09 1.57 1.74 -0.75 -4.92 116.66 107.75 2dya n ARG 21 Ca 0.08 -0.07 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2dya n ARG 21 Cb 0.09 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.08 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 0.06 0.82 -0.13 0.00 -0.81 -4.96 105.19 101.26 2dya n GLY 22 Ca 0.21 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.10 2.94 -0.04 0.99 4.77 -0.01 -4.68 117.00 117.87 2dya n LEU 23 Ca -0.02 -1.56 -0.08 0.00 -0.03 0.00 0.00 56.01 54.32 2dya n LEU 23 Cb 0.55 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 2dya n LEU 23 CO 0.38 0.66 0.73 0.40 -1.33 0.00 0.00 177.39 178.23 2dya h ILE 24 N 3.12 0.49 -0.31 -0.08 2.04 -1.89 -2.17 117.51 118.71 2dya h ILE 24 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2dya h ILE 24 Cb 0.78 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2dya h ILE 24 CO 0.00 0.00 0.19 1.23 0.00 0.00 0.00 178.15 179.57 2dya h GLY 25 N -0.19 0.45 0.89 5.37 0.00 -1.96 -1.83 103.07 105.80 2dya h GLY 25 Ca 0.13 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.31 2dya h GLY 25 CO -0.34 0.18 0.63 0.83 0.00 0.00 0.00 176.54 177.84 2dya h GLU 26 N 0.40 1.19 -0.13 4.80 5.08 -1.83 -0.65 114.58 123.44 2dya h GLU 26 Ca 0.11 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2dya h GLU 26 Cb 0.01 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 2dya h GLU 26 CO -0.02 0.79 -0.02 0.82 -1.00 0.00 0.00 179.01 179.58 2dya h ILE 27 N 1.22 1.27 -0.74 3.13 2.04 -1.21 -2.89 117.51 120.32 2dya h ILE 27 Ca 0.38 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.37 2dya h ILE 27 Cb -0.01 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 2dya h ILE 27 CO -0.12 0.26 0.47 0.40 0.00 0.00 0.00 178.15 179.16 2dya h ILE 28 N -0.06 1.11 -0.61 -0.67 2.04 -1.02 -2.28 117.51 116.02 2dya h ILE 28 Ca 0.03 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.61 2dya h ILE 28 Cb 0.41 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2dya h ILE 28 CO 0.01 0.17 0.41 0.28 0.00 0.00 0.00 178.15 179.01 2dya h SER 29 N 0.92 0.63 -0.72 1.72 0.02 -1.08 -1.21 113.55 113.83 2dya h SER 29 Ca 0.30 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 2dya h SER 29 Cb 0.01 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2dya h SER 29 CO -0.11 0.43 0.38 0.03 -1.14 0.00 0.00 176.83 176.43 2dya h ARG 30 N 0.73 1.02 -0.05 3.45 3.08 -1.20 0.15 114.38 121.56 2dya h ARG 30 Ca 0.24 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 2dya h ARG 30 Cb 0.07 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2dya h ARG 30 CO -0.07 0.77 -0.31 0.74 -1.07 0.00 0.00 179.97 180.03 2dya h PHE 31 N 1.03 0.41 -0.64 3.04 0.04 -1.36 -2.31 116.94 117.14 2dya h PHE 31 Ca 0.26 -0.19 0.05 0.00 2.80 0.00 0.00 57.97 60.89 2dya h PHE 31 Cb 0.06 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 2dya h PHE 31 CO 0.01 0.93 0.37 0.93 -0.60 0.00 0.00 178.31 179.95 2dya h GLU 32 N -0.23 0.68 -0.31 1.51 5.08 -1.02 -1.68 114.58 118.60 2dya h GLU 32 Ca -0.02 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2dya h GLU 32 Cb 0.98 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2dya h GLU 32 CO 0.06 0.45 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.27 2dya h LYS 33 N 0.70 0.48 0.00 2.33 1.63 -0.74 -1.96 116.57 119.01 2dya h LYS 33 Ca 0.28 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.93 2dya h LYS 33 Cb 0.13 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2dya h LYS 33 CO -0.15 0.53 -0.18 -0.22 -3.45 0.00 0.00 179.45 175.98 2dya h LYS 34 N 0.46 0.00 0.00 1.90 1.63 -0.74 -3.46 116.57 116.36 2dya h LYS 34 Ca 0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2dya h LYS 34 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2dya h LYS 34 CO 0.01 0.18 0.00 0.41 -3.45 0.00 0.00 179.45 176.60 2dya n GLY 35 N -0.27 0.92 3.77 5.01 0.00 -0.74 -5.09 105.19 108.79 2dya n GLY 35 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 4.38 -0.19 0.99 1.43 -0.73 -4.94 118.68 119.61 2dya s LEU 36 Ca 0.00 2.15 -0.09 0.00 -1.03 0.00 0.00 54.13 55.16 2dya s LEU 36 Cb 0.00 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 2dya s LEU 36 CO 0.00 -0.27 0.12 -0.75 0.23 0.00 0.00 176.35 175.68 2dya s LYS 37 N -1.88 4.07 -0.58 1.70 2.20 0.16 -4.27 119.74 121.14 2dya s LYS 37 Ca 0.50 -0.23 -0.24 0.00 -0.36 0.00 0.00 55.97 55.65 2dya s LYS 37 Cb -0.27 -3.36 0.05 0.00 -1.51 0.00 0.00 37.83 32.74 2dya s LYS 37 CO 0.35 0.35 0.94 0.42 -0.36 0.00 0.00 175.35 177.05 2dya s ILE 38 N 0.19 4.38 -0.74 5.43 1.01 -1.26 -0.09 121.20 130.12 2dya s ILE 38 Ca 0.08 0.08 0.23 0.00 0.00 0.00 0.00 60.65 61.04 2dya s ILE 38 Cb -0.11 -4.57 -0.13 0.00 0.01 0.00 0.00 42.46 37.66 2dya s ILE 38 CO -0.01 -1.20 1.04 1.33 0.00 0.00 0.00 174.94 176.10 2dya n VAL 39 N 6.10 0.09 -3.63 2.92 0.24 -0.68 -4.94 118.33 118.43 2dya n VAL 39 Ca -0.00 -0.16 -0.15 0.00 -2.04 0.00 0.00 64.34 61.99 2dya n VAL 39 Cb 0.47 0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 33.15 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 -3.44 -0.43 -0.27 7.63 0.00 -1.22 -0.26 107.32 109.33 2dya s GLY 40 Ca 0.05 1.19 -0.26 0.00 0.00 0.00 0.00 44.72 45.70 2dya s GLY 40 CO 0.81 0.92 1.25 -0.29 0.00 0.00 0.00 173.10 175.78 2dya s MET 41 N -0.71 0.27 -0.20 2.90 0.00 -1.26 -0.65 119.30 119.64 2dya s MET 41 Ca -0.08 0.23 -0.30 0.00 0.00 0.00 0.00 55.69 55.54 2dya s MET 41 Cb -0.03 0.13 0.15 0.00 0.00 0.00 0.00 34.83 35.08 2dya s MET 41 CO 0.05 -0.05 1.12 -1.59 0.00 0.00 0.00 175.02 174.56 2dya s LYS 42 N -0.23 0.41 -0.17 4.11 -2.85 -0.48 -5.00 119.74 115.53 2dya s LYS 42 Ca 0.05 0.08 -0.16 0.00 -1.00 0.00 0.00 55.97 54.94 2dya s LYS 42 Cb -0.04 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 2dya s LYS 42 CO -0.09 -0.13 0.41 1.41 0.10 0.00 0.00 175.35 177.05 2dya s MET 43 N -1.17 4.24 0.18 1.78 -2.45 -1.26 -1.43 119.30 119.19 2dya s MET 43 Ca 0.02 0.28 -0.00 0.00 -1.25 0.00 0.00 55.69 54.74 2dya s MET 43 Cb -0.01 -3.49 -0.04 0.00 1.25 0.00 0.00 34.83 32.54 2dya s MET 43 CO -0.02 0.06 0.08 0.96 1.05 0.00 0.00 175.02 177.15 2dya s ILE 44 N 0.98 0.21 -0.33 10.11 -4.36 -0.56 -4.97 121.20 122.28 2dya s ILE 44 Ca 0.21 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.66 2dya s ILE 44 Cb -0.15 -2.32 0.09 0.00 1.25 0.00 0.00 42.46 41.34 2dya s ILE 44 CO 0.08 -0.22 0.03 0.86 0.24 0.00 0.00 174.94 175.93 2dya s TRP 45 N -4.00 3.58 0.21 1.37 -0.11 -1.26 -0.23 118.94 118.50 2dya s TRP 45 Ca 0.32 -2.66 -0.31 0.00 1.22 0.00 0.00 56.10 54.67 2dya s TRP 45 Cb 0.07 -2.67 -0.10 0.00 -1.50 0.00 0.00 33.47 29.27 2dya s TRP 45 CO 0.08 -0.92 1.50 0.42 -4.62 0.00 0.00 176.95 173.40 2dya s ILE 46 N 1.02 2.66 0.33 5.86 1.01 -1.26 -5.02 121.20 125.80 2dya s ILE 46 Ca 0.05 0.51 0.06 0.00 0.00 0.00 0.00 60.65 61.27 2dya s ILE 46 Cb -0.20 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 2dya s ILE 46 CO -0.06 0.06 0.47 1.51 0.00 0.00 0.00 174.94 176.92 2dya s ASP 47 N 0.74 5.98 0.18 3.58 3.84 -1.26 -4.59 116.67 125.15 2dya s ASP 47 Ca 0.64 -0.16 -0.25 0.00 -0.00 0.00 0.00 52.55 52.78 2dya s ASP 47 Cb -0.43 -1.27 0.06 0.00 -1.38 0.00 0.00 42.92 39.91 2dya s ASP 47 CO 0.38 -0.42 1.56 -0.09 -0.00 0.00 0.00 175.17 176.59 2dya h ARG 48 N 0.89 -0.13 -0.28 2.11 2.43 -1.95 -1.40 114.38 116.05 2dya h ARG 48 Ca -0.46 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.79 2dya h ARG 48 Cb 1.26 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.76 2dya h ARG 48 CO 0.53 -0.09 -0.25 1.49 -1.51 0.00 0.00 179.97 180.14 2dya h GLU 49 N -0.14 -0.23 -0.65 0.20 4.22 -1.98 0.11 114.58 116.11 2dya h GLU 49 Ca 0.21 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.62 2dya h GLU 49 Cb 0.54 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2dya h GLU 49 CO -0.80 -0.15 0.22 1.25 -2.18 0.00 0.00 179.01 177.35 2dya h LEU 50 N -0.24 0.89 -0.44 1.64 5.85 -1.88 -1.58 115.31 119.56 2dya h LEU 50 Ca 0.15 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2dya h LEU 50 Cb 0.47 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2dya h LEU 50 CO -0.42 0.82 0.08 0.00 -0.34 0.00 0.00 178.44 178.58 2dya h ALA 51 N 1.30 0.59 0.00 1.25 0.00 -0.44 -0.07 119.26 121.89 2dya h ALA 51 Ca 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2dya h ALA 51 Cb 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2dya h ALA 51 CO -0.01 0.30 -0.10 0.93 0.00 0.00 0.00 179.25 180.37 2dya h GLU 52 N 0.59 0.00 0.17 0.00 5.08 -0.62 -1.18 114.58 118.63 2dya h GLU 52 Ca 0.13 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 2dya h GLU 52 Cb 0.37 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.65 2dya h GLU 52 CO 0.01 0.10 -1.01 -0.22 -1.00 0.00 0.00 179.01 176.89 2dya h LYS 53 N 0.00 0.38 -0.44 2.33 1.63 -0.84 -2.38 116.57 117.25 2dya h LYS 53 Ca -0.00 -0.64 -0.01 0.00 -0.85 0.00 0.00 60.65 59.15 2dya h LYS 53 Cb 0.62 0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 32.47 2dya h LYS 53 CO 0.01 1.30 0.23 1.25 -3.45 0.00 0.00 179.45 178.79 2dya h HIS 54 N -0.20 0.62 -0.85 1.91 2.76 -0.79 -2.78 115.15 115.82 2dya h HIS 54 Ca -0.17 -0.02 -0.47 0.00 -2.20 0.00 0.00 60.37 57.51 2dya h HIS 54 Cb 1.79 -0.19 -0.26 0.00 1.55 0.00 0.00 27.41 30.29 2dya h HIS 54 CO 0.18 0.48 0.60 0.66 -1.30 0.00 0.00 177.93 178.54 2dya n TYR 55 N -4.68 2.63 -0.29 5.26 4.01 -0.47 -4.68 117.16 118.94 2dya n TYR 55 Ca 0.01 -1.86 0.19 0.00 -0.16 0.00 0.00 57.90 56.07 2dya n TYR 55 Cb 0.09 -0.94 0.47 0.00 -0.31 0.00 0.00 39.34 38.65 2dya n TYR 55 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2dya h GLU 56 N 1.05 0.47 0.00 -0.72 4.81 -1.13 -0.53 114.58 118.53 2dya h GLU 56 Ca 0.54 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2dya h GLU 56 Cb 2.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.51 2dya h GLU 56 CO 1.02 0.31 0.00 -0.85 -0.73 0.00 0.00 179.01 178.76 2dya n GLU 57 N -4.59 0.07 -0.15 1.92 0.28 -1.26 -2.42 120.64 114.48 2dya n GLU 57 Ca 0.22 0.38 0.05 0.00 -0.16 0.00 0.00 57.16 57.65 2dya n GLU 57 Cb 0.72 -1.65 0.13 0.00 1.43 0.00 0.00 31.44 32.08 2dya n GLU 57 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2dya n HIS 58 N -1.78 0.40 0.10 -1.84 8.25 -0.21 -4.66 115.22 115.48 2dya n HIS 58 Ca 0.02 -0.47 0.15 0.00 -0.26 0.00 0.00 57.72 57.16 2dya n HIS 58 Cb 0.14 -0.03 0.67 0.00 1.12 0.00 0.00 29.99 31.89 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 1.84 0.01 -0.61 -0.41 2.43 -1.50 -1.67 114.38 114.46 2dya h ARG 59 Ca 0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2dya h ARG 59 Cb 0.69 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2dya h ARG 59 CO 0.00 0.01 0.02 0.39 -1.51 0.00 0.00 179.97 178.88 2dya n GLU 60 N -4.44 4.68 -4.16 0.20 -0.58 -1.26 -4.94 120.64 110.13 2dya n GLU 60 Ca 0.05 -3.03 -0.31 0.00 -0.42 0.00 0.00 57.16 53.45 2dya n GLU 60 Cb 0.40 -2.24 -0.08 0.00 -0.57 0.00 0.00 31.44 28.95 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 -2.71 2.63 0.33 3.49 1.02 -0.63 -5.04 119.74 118.83 2dya s LYS 61 Ca 0.52 -0.77 0.08 0.00 0.02 0.00 0.00 55.97 55.82 2dya s LYS 61 Cb 0.40 -2.59 0.80 0.00 -0.52 0.00 0.00 37.83 35.92 2dya s LYS 61 CO 0.15 0.56 1.81 -1.35 -0.92 0.00 0.00 175.35 175.60 2dya h PRO 62 N 3.63 0.69 -0.15 -1.68 0.11 -1.92 -2.22 132.00 130.46 2dya h PRO 62 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2dya h PRO 62 Cb 1.17 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2dya h PRO 62 CO 0.60 0.46 0.00 1.97 -0.21 0.00 0.00 178.00 180.82 2dya n PHE 63 N -4.67 0.19 0.04 0.65 1.16 -1.26 -4.50 117.46 109.07 2dya n PHE 63 Ca 0.21 -0.10 -0.15 0.00 -1.87 0.00 0.00 57.45 55.54 2dya n PHE 63 Cb 0.56 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.34 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 1.87 -1.55 -0.88 2.97 3.57 -1.62 -1.90 116.94 119.40 2dya h PHE 64 Ca 0.00 0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.69 2dya h PHE 64 Cb 0.41 0.68 -0.09 0.00 2.79 0.00 0.00 35.95 39.74 2dya h PHE 64 CO 0.10 -0.56 0.48 -0.22 -2.23 0.00 0.00 178.31 175.88 2dya h LYS 65 N -0.64 0.69 -0.48 1.11 3.64 -1.83 -0.81 116.57 118.26 2dya h LYS 65 Ca 0.02 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2dya h LYS 65 Cb 0.71 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2dya h LYS 65 CO -0.38 0.46 -0.02 0.00 -2.27 0.00 0.00 179.45 177.24 2dya h ALA 66 N 1.55 1.07 -0.48 5.00 0.00 -1.80 -1.89 119.26 122.71 2dya h ALA 66 Ca 0.47 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2dya h ALA 66 Cb 0.61 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2dya h ALA 66 CO -0.33 0.58 0.09 1.25 0.00 0.00 0.00 179.25 180.84 2dya h LEU 67 N 0.75 0.75 -0.51 0.00 5.85 -0.39 -0.88 115.31 120.88 2dya h LEU 67 Ca 0.14 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 2dya h LEU 67 Cb 0.48 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2dya h LEU 67 CO 0.02 0.81 0.12 0.40 -0.34 0.00 0.00 178.44 179.46 2dya h ILE 68 N 0.66 1.24 -0.58 4.05 1.08 -1.00 -0.21 117.51 122.75 2dya h ILE 68 Ca 0.15 -0.86 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 2dya h ILE 68 Cb 0.38 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 2dya h ILE 68 CO 0.01 0.31 0.19 0.44 -0.69 0.00 0.00 178.15 178.41 2dya h ASP 69 N 0.71 0.84 0.81 1.72 3.32 -1.23 -2.49 116.42 120.10 2dya h ASP 69 Ca 0.16 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 2dya h ASP 69 Cb 0.34 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.68 2dya h ASP 69 CO 0.00 0.82 -0.39 0.22 -1.72 0.00 0.00 179.24 178.18 2dya h TYR 70 N 0.82 -1.00 0.00 4.55 3.20 -0.90 -1.56 116.97 122.08 2dya h TYR 70 Ca 0.19 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2dya h TYR 70 Cb 0.28 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.88 2dya h TYR 70 CO 0.02 -0.62 0.00 1.51 -1.64 0.00 0.00 178.16 177.43 2dya n ILE 71 N -5.54 0.94 -0.08 1.81 0.13 -0.11 -2.03 119.36 114.46 2dya n ILE 71 Ca -0.15 0.48 0.05 0.00 -1.10 0.00 0.00 62.75 62.03 2dya n ILE 71 Cb 0.44 -1.45 0.12 0.00 -0.84 0.00 0.00 39.64 37.91 2dya n ILE 71 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2dya n THR 72 N -2.25 0.88 -0.14 9.51 -2.24 -0.94 -4.67 114.28 114.43 2dya n THR 72 Ca 0.00 -0.94 -0.08 0.00 -2.27 0.00 0.00 64.05 60.76 2dya n THR 72 Cb 0.13 0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.75 0.59 -4.60 -0.78 3.64 -0.67 -3.46 116.57 113.03 2dya h LYS 73 Ca 0.00 -0.07 -0.34 0.00 -1.27 0.00 0.00 60.65 58.96 2dya h LYS 73 Cb 0.66 -0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.24 2dya h LYS 73 CO 0.00 0.48 -0.45 0.95 -2.27 0.00 0.00 179.45 178.16 2dya s THR 74 N -5.82 0.00 0.73 1.00 -4.23 -1.26 -5.12 115.64 100.93 2dya s THR 74 Ca -0.13 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.34 2dya s THR 74 Cb 0.11 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.47 2dya s THR 74 CO 0.74 0.00 1.19 -2.84 -0.54 0.00 0.00 174.62 173.17 2dya s PRO 75 N -3.62 2.20 0.41 3.99 0.02 -1.26 -4.68 135.00 132.06 2dya s PRO 75 Ca 0.37 1.68 0.04 0.00 0.02 0.00 0.00 61.00 63.11 2dya s PRO 75 Cb 0.03 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.66 2dya s PRO 75 CO 0.21 -1.77 0.04 0.14 -0.33 0.00 0.00 177.00 175.29 2dya s VAL 76 N -2.09 1.28 -0.21 3.83 -7.23 0.68 -4.49 120.40 112.17 2dya s VAL 76 Ca 0.72 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2dya s VAL 76 Cb -0.27 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 34.12 2dya s VAL 76 CO 0.45 0.00 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.43 2dya s VAL 77 N -3.01 1.89 -0.03 1.32 1.01 -1.06 -1.49 120.40 119.02 2dya s VAL 77 Ca 0.25 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 2dya s VAL 77 Cb 0.06 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2dya s VAL 77 CO 0.13 0.19 0.20 0.68 0.00 0.00 0.00 175.10 176.29 2dya s VAL 78 N 1.28 5.42 0.03 2.92 -7.23 -0.52 -0.66 120.40 121.64 2dya s VAL 78 Ca -0.02 0.04 -0.20 0.00 -1.81 0.00 0.00 61.98 59.98 2dya s VAL 78 Cb -0.17 -3.51 0.04 0.00 0.56 0.00 0.00 36.38 33.30 2dya s VAL 78 CO -0.08 0.42 0.46 0.00 -0.31 0.00 0.00 175.10 175.59 2dya s MET 79 N -1.64 0.94 -0.19 4.82 0.23 -0.13 -1.38 119.30 121.94 2dya s MET 79 Ca 0.24 -0.23 -0.03 0.00 -1.03 0.00 0.00 55.69 54.64 2dya s MET 79 Cb -0.13 0.42 -0.01 0.00 -1.53 0.00 0.00 34.83 33.59 2dya s MET 79 CO 0.14 -0.32 -0.07 0.08 -2.03 0.00 0.00 175.02 172.82 2dya s VAL 80 N -2.17 3.23 -0.14 5.16 1.01 0.18 -0.71 120.40 126.95 2dya s VAL 80 Ca -0.07 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2dya s VAL 80 Cb -0.01 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2dya s VAL 80 CO 0.00 0.46 0.06 -0.76 0.00 0.00 0.00 175.10 174.86 2dya s LEU 81 N 1.13 3.86 -0.04 3.92 1.43 -0.52 -1.69 118.68 126.77 2dya s LEU 81 Ca 0.01 0.19 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 2dya s LEU 81 Cb -0.14 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 2dya s LEU 81 CO -0.02 0.29 -0.24 -0.70 0.23 0.00 0.00 176.35 175.91 2dya s GLU 82 N -0.34 2.29 0.00 1.70 2.12 0.87 -1.18 118.70 124.16 2dya s GLU 82 Ca 0.09 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.55 2dya s GLU 82 Cb -0.12 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2dya s GLU 82 CO 0.02 0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 2dya n GLY 83 N 2.80 1.52 3.69 -1.50 0.00 -0.66 -0.66 105.19 110.38 2dya n GLY 83 Ca -0.17 -0.97 -0.53 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.62 1.65 -4.01 1.61 0.63 -1.26 -1.35 116.66 113.30 2dya n ARG 84 Ca 0.00 0.60 -0.33 0.00 -0.92 0.00 0.00 57.85 57.20 2dya n ARG 84 Cb 0.00 -2.36 -0.03 0.00 0.45 0.00 0.00 32.46 30.52 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 5.64 -1.67 -0.32 -0.14 4.02 0.60 -4.83 117.16 120.45 2dya n TYR 85 Ca 0.24 0.67 0.16 0.00 -0.01 0.00 0.00 57.90 58.96 2dya n TYR 85 Cb 0.21 -2.66 0.40 0.00 -0.02 0.00 0.00 39.34 37.27 2dya n TYR 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dya h ALA 86 N 0.93 1.90 0.43 -0.72 0.00 -1.43 -1.79 119.26 118.57 2dya h ALA 86 Ca -0.53 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2dya h ALA 86 Cb 1.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dya h ALA 86 CO 0.71 -0.27 -0.21 0.28 0.00 0.00 0.00 179.25 179.76 2dya h VAL 87 N 0.61 0.58 -0.36 0.00 2.07 -1.86 0.22 116.25 117.50 2dya h VAL 87 Ca 0.56 -0.04 -0.15 0.00 0.82 0.00 0.00 66.70 67.89 2dya h VAL 87 Cb 1.09 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2dya h VAL 87 CO -0.33 0.01 -0.37 1.05 0.02 0.00 0.00 177.57 177.96 2dya h GLU 88 N -0.60 0.84 -0.07 1.57 4.11 -1.84 -2.63 114.58 115.95 2dya h GLU 88 Ca -0.06 -0.42 0.01 0.00 0.07 0.00 0.00 59.36 58.96 2dya h GLU 88 Cb 0.46 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2dya h GLU 88 CO 0.10 1.06 -0.00 0.28 0.07 0.00 0.00 179.01 180.52 2dya h VAL 89 N 0.69 0.95 -0.16 -1.06 2.07 -1.26 -1.06 116.25 116.43 2dya h VAL 89 Ca 0.06 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 2dya h VAL 89 Cb 0.93 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2dya h VAL 89 CO 0.09 0.00 -0.21 0.58 0.02 0.00 0.00 177.57 178.05 2dya h VAL 90 N 0.02 1.23 -0.62 2.57 2.07 -0.97 -1.30 116.25 119.26 2dya h VAL 90 Ca 0.03 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 2dya h VAL 90 Cb 0.03 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2dya h VAL 90 CO -0.05 0.32 0.09 0.03 0.02 0.00 0.00 177.57 177.98 2dya h ARG 91 N 0.26 1.03 -0.68 1.57 2.47 -1.07 -0.66 114.38 117.30 2dya h ARG 91 Ca 0.04 -0.28 -0.08 0.00 -1.26 0.00 0.00 59.98 58.41 2dya h ARG 91 Cb 0.53 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 2dya h ARG 91 CO 0.04 0.97 0.12 -0.22 0.56 0.00 0.00 179.97 181.43 2dya h LYS 92 N 0.94 1.11 -0.27 0.04 3.64 -0.70 -2.61 116.57 118.73 2dya h LYS 92 Ca 0.19 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 2dya h LYS 92 Cb 0.44 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2dya h LYS 92 CO 0.01 1.01 -0.19 0.52 -2.27 0.00 0.00 179.45 178.53 2dya h MET 93 N 1.04 0.48 -0.20 1.90 2.86 -0.94 -3.12 114.93 116.94 2dya h MET 93 Ca 0.21 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2dya h MET 93 Cb 0.43 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2dya h MET 93 CO 0.01 0.66 0.07 0.00 1.06 0.00 0.00 176.91 178.71 2dya h ALA 94 N 1.36 0.27 0.00 6.32 0.00 -0.76 0.85 119.26 127.30 2dya h ALA 94 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dya h ALA 94 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2dya h ALA 94 CO 0.04 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.58 2dya n GLY 95 N -0.64 0.12 3.70 0.00 0.00 -1.04 -1.29 105.19 106.03 2dya n GLY 95 Ca -0.04 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 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 0.58 1.34 -0.31 4.61 0.00 -1.26 -4.90 120.51 120.57 2dya n ALA 96 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2dya n ALA 96 Cb 0.00 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 17.26 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 2.59 0.10 -3.50 0.00 2.02 -1.96 -3.30 112.91 108.86 2dya h THR 97 Ca -0.46 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.11 2dya h THR 97 Cb 1.28 0.10 -0.11 0.00 -1.74 0.00 0.00 68.15 67.68 2dya h THR 97 CO 0.63 0.00 0.43 -0.62 0.37 0.00 0.00 175.52 176.34 2dya s ASP 98 N -5.26 6.60 0.60 4.18 -1.08 -1.26 -4.73 116.67 115.71 2dya s ASP 98 Ca -0.14 0.46 0.29 0.00 -0.52 0.00 0.00 52.55 52.63 2dya s ASP 98 Cb 0.21 -2.41 1.60 0.00 -1.46 0.00 0.00 42.92 40.85 2dya s ASP 98 CO 0.73 -0.75 2.01 1.55 0.52 0.00 0.00 175.17 179.23 2dya h PRO 99 N 8.42 0.00 0.00 4.34 0.13 -1.85 0.09 132.00 143.13 2dya h PRO 99 Ca -0.24 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 2dya h PRO 99 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2dya h PRO 99 CO 0.92 0.00 -0.17 1.57 -0.23 0.00 0.00 178.00 180.09 2dya h LYS 100 N 0.00 0.00 0.00 0.86 2.10 -1.84 -2.37 116.57 115.32 2dya h LYS 100 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2dya h LYS 100 Cb 0.77 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 2dya h LYS 100 CO -0.00 0.17 -0.99 -0.25 -2.00 0.00 0.00 179.45 176.38 2dya n ASP 101 N -3.60 0.62 -4.75 7.07 8.00 -0.00 -4.94 116.55 118.94 2dya n ASP 101 Ca -0.01 -0.13 -0.41 0.00 0.71 0.00 0.00 54.79 54.95 2dya n ASP 101 Cb 0.30 0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 42.09 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 -3.21 3.54 0.47 2.24 0.00 -0.89 -4.73 121.76 119.18 2dya s ALA 102 Ca 0.03 1.22 -0.22 0.00 0.00 0.00 0.00 51.96 52.99 2dya s ALA 102 Cb 0.14 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 2dya s ALA 102 CO 0.79 -0.62 1.17 0.00 0.00 0.00 0.00 175.76 177.10 2dya s ALA 103 N -0.48 2.93 0.25 0.00 0.00 -1.26 -4.39 121.76 118.81 2dya s ALA 103 Ca 0.54 0.94 -0.31 0.00 0.00 0.00 0.00 51.96 53.13 2dya s ALA 103 Cb -0.39 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.23 2dya s ALA 103 CO 0.46 -0.70 1.58 -2.14 0.00 0.00 0.00 175.76 174.96 2dya s PRO 104 N -2.77 4.17 0.00 0.00 0.02 -1.26 -2.06 135.00 133.09 2dya s PRO 104 Ca 0.65 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.16 2dya s PRO 104 Cb -0.29 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2dya s PRO 104 CO 0.34 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 2dya n GLY 105 N 2.78 1.05 3.90 0.52 0.00 -1.26 -4.98 105.19 107.20 2dya n GLY 105 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.47 4.15 0.09 2.61 -4.23 -0.88 -4.88 115.64 111.03 2dya s THR 106 Ca 0.00 0.32 -0.25 0.00 -1.18 0.00 0.00 61.69 60.58 2dya s THR 106 Cb 0.00 -3.64 -0.15 0.00 1.34 0.00 0.00 72.50 70.04 2dya s THR 106 CO 0.00 -0.73 1.71 0.40 -0.54 0.00 0.00 174.62 175.46 2dya h ILE 107 N -0.20 0.85 -0.39 2.99 2.04 -0.86 0.79 117.51 122.72 2dya h ILE 107 Ca -0.45 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.30 2dya h ILE 107 Cb 1.23 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2dya h ILE 107 CO 0.62 0.00 -0.20 0.03 0.00 0.00 0.00 178.15 178.60 2dya h ARG 108 N -0.19 0.77 -0.84 2.37 3.08 -1.42 0.18 114.38 118.32 2dya h ARG 108 Ca -0.01 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 2dya h ARG 108 Cb 0.15 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2dya h ARG 108 CO 0.02 0.91 0.40 0.78 -1.07 0.00 0.00 179.97 181.01 2dya h GLY 109 N 0.97 1.29 1.18 0.04 0.00 -1.63 0.16 103.07 105.08 2dya h GLY 109 Ca 0.10 -0.64 -0.30 0.00 0.00 0.00 0.00 47.33 46.49 2dya h GLY 109 CO 0.05 0.61 -1.57 -0.55 0.00 0.00 0.00 176.54 175.08 2dya h ASP 110 N 1.20 0.24 0.00 0.19 3.32 -0.70 -3.42 116.42 117.25 2dya h ASP 110 Ca 0.29 -0.39 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 2dya h ASP 110 Cb 0.12 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2dya h ASP 110 CO -0.04 1.33 -1.90 0.49 -1.72 0.00 0.00 179.24 177.41 2dya n PHE 111 N -3.34 0.00 -4.03 4.55 3.72 0.04 -5.04 117.46 113.35 2dya n PHE 111 Ca -0.17 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.98 2dya n PHE 111 Cb 1.03 -0.56 -0.04 0.00 -0.94 0.00 0.00 39.48 38.97 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 -4.37 1.68 0.12 1.37 0.00 0.04 -4.95 107.32 101.22 2dya s GLY 112 Ca -0.07 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2dya s GLY 112 CO 0.66 -1.17 0.00 -0.10 0.00 0.00 0.00 173.10 172.49 2dya n LEU 113 N -0.48 -1.08 -4.76 0.66 7.94 -1.26 -4.47 117.00 113.55 2dya n LEU 113 Ca -0.08 0.40 -0.38 0.00 -1.11 0.00 0.00 56.01 54.84 2dya n LEU 113 Cb 0.55 1.25 0.02 0.00 0.53 0.00 0.00 43.42 45.77 2dya n LEU 113 CO 0.45 -0.01 0.94 -1.61 -1.11 0.00 0.00 177.39 176.06 2dya s GLU 114 N -1.57 3.47 0.11 1.96 0.41 -1.26 -4.69 118.70 117.12 2dya s GLU 114 Ca 0.00 2.10 0.02 0.00 -0.41 0.00 0.00 54.97 56.68 2dya s GLU 114 Cb 0.00 -2.39 -0.04 0.00 -1.78 0.00 0.00 34.13 29.91 2dya s GLU 114 CO 0.00 -0.89 -0.05 0.14 -0.49 0.00 0.00 175.26 173.97 2dya s VAL 115 N -1.36 0.67 0.00 2.63 -7.23 -1.26 -4.35 120.40 109.50 2dya s VAL 115 Ca 0.67 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 2dya s VAL 115 Cb -0.37 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2dya s VAL 115 CO 0.45 -0.82 0.00 -1.54 -0.31 0.00 0.00 175.10 172.88 2dya n SER 116 N -0.07 0.00 0.14 4.85 3.41 -1.26 -4.94 113.62 115.76 2dya n SER 116 Ca -0.11 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.63 2dya n SER 116 Cb 0.61 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.93 2dya n SER 116 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2dya h ASP 117 N 0.00 0.00 -3.11 4.04 3.32 -2.01 -3.44 116.42 115.22 2dya h ASP 117 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 2dya h ASP 117 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 2dya h ASP 117 CO 0.00 0.00 -0.66 0.00 -1.72 0.00 0.00 179.24 176.86 2dya s ALA 118 N -3.18 3.26 -1.03 3.45 0.00 -1.26 -4.85 121.76 118.16 2dya s ALA 118 Ca 0.09 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.58 2dya s ALA 118 Cb 0.10 -1.11 0.06 0.00 0.00 0.00 0.00 23.12 22.17 2dya s ALA 118 CO 0.59 0.59 1.43 0.42 0.00 0.00 0.00 175.76 178.79 2dya s ILE 119 N -1.52 4.01 -0.11 0.00 -1.09 -1.26 -4.74 121.20 116.49 2dya s ILE 119 Ca 0.27 -0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 57.50 2dya s ILE 119 Cb -0.10 -5.04 -0.06 0.00 -1.58 0.00 0.00 42.46 35.68 2dya s ILE 119 CO 0.19 -1.90 1.93 0.00 -1.23 0.00 0.00 174.94 173.92 2dya n ASN 121 N 8.98 3.12 0.00 0.00 0.23 -1.26 -4.56 115.26 121.77 2dya n ASN 121 Ca 0.22 -2.87 0.00 0.00 -0.53 0.00 0.00 54.58 51.40 2dya n ASN 121 Cb 0.43 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 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 -0.60 0.00 -4.09 3.53 0.31 -1.26 -4.76 118.33 111.45 2dya n VAL 122 Ca 0.24 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.47 2dya n VAL 122 Cb 0.86 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.72 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 0.00 0.04 2.52 -0.00 -1.26 -1.75 121.20 120.76 2dya s ILE 123 Ca 0.00 -1.69 0.08 0.00 -0.00 0.00 0.00 60.65 59.04 2dya s ILE 123 Cb 0.00 -2.32 -0.03 0.00 -0.00 0.00 0.00 42.46 40.11 2dya s ILE 123 CO 0.00 -0.02 -0.23 -2.28 -0.00 0.00 0.00 174.94 172.41 2dya s HIS 124 N -4.08 2.05 -0.01 1.37 2.46 0.46 -4.90 115.29 112.63 2dya s HIS 124 Ca 0.30 -0.39 -0.00 0.00 0.47 0.00 0.00 55.06 55.43 2dya s HIS 124 Cb 0.03 -1.22 0.01 0.00 -0.13 0.00 0.00 32.58 31.27 2dya s HIS 124 CO 0.10 0.11 0.03 0.00 -2.47 0.00 0.00 174.74 172.51 2dya s ALA 125 N -0.80 -0.00 0.30 1.58 0.00 -1.26 -1.60 121.76 119.97 2dya s ALA 125 Ca 0.09 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 2dya s ALA 125 Cb -0.09 -0.13 -0.12 0.00 0.00 0.00 0.00 23.12 22.78 2dya s ALA 125 CO 0.02 -0.05 1.52 0.43 0.00 0.00 0.00 175.76 177.67 2dya n SER 126 N 3.55 3.54 0.10 0.00 7.64 -0.99 -4.91 113.62 122.55 2dya n SER 126 Ca -0.19 1.16 0.12 0.00 1.01 0.00 0.00 58.87 60.98 2dya n SER 126 Cb 0.56 -1.56 0.27 0.00 -1.01 0.00 0.00 64.21 62.47 2dya n SER 126 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2dya h ASP 127 N 4.21 0.00 -5.18 6.43 3.04 -1.92 -3.45 116.42 119.55 2dya h ASP 127 Ca -0.47 -0.08 -0.04 0.00 -3.24 0.00 0.00 57.03 53.20 2dya h ASP 127 Cb 1.24 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 39.44 2dya h ASP 127 CO 0.75 0.04 -0.06 -0.94 -2.04 0.00 0.00 179.24 176.99 2dya s SER 128 N -4.64 -0.13 0.27 4.15 1.04 -1.26 -4.94 113.70 108.19 2dya s SER 128 Ca 0.08 -0.80 -0.02 0.00 0.48 0.00 0.00 55.95 55.69 2dya s SER 128 Cb 0.12 0.59 0.37 0.00 0.10 0.00 0.00 66.02 67.20 2dya s SER 128 CO 0.66 -1.14 1.80 0.11 0.98 0.00 0.00 173.24 175.66 2dya h LYS 129 N 2.23 0.82 -0.22 4.02 1.57 -1.94 0.16 116.57 123.20 2dya h LYS 129 Ca -0.26 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 2dya h LYS 129 Cb 1.25 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2dya h LYS 129 CO 0.35 0.77 0.05 1.49 -0.57 0.00 0.00 179.45 181.53 2dya h GLU 130 N 0.78 0.36 -0.72 3.15 4.81 -1.98 -1.85 114.58 119.12 2dya h GLU 130 Ca 0.17 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2dya h GLU 130 Cb 0.35 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 2dya h GLU 130 CO 0.01 0.48 0.26 0.77 -0.73 0.00 0.00 179.01 179.79 2dya h SER 131 N 0.17 1.03 -0.14 1.04 0.02 -1.86 -2.27 113.55 111.55 2dya h SER 131 Ca 0.07 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2dya h SER 131 Cb 0.29 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2dya h SER 131 CO 0.00 0.94 -0.03 0.00 -1.14 0.00 0.00 176.83 176.60 2dya h ALA 132 N 1.12 0.09 -0.53 3.77 0.00 -0.55 0.24 119.26 123.40 2dya h ALA 132 Ca 0.24 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.21 2dya h ALA 132 Cb 0.26 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2dya h ALA 132 CO -0.01 -0.48 0.35 1.49 0.00 0.00 0.00 179.25 180.59 2dya h GLU 133 N 0.00 0.69 -0.38 0.00 4.81 -1.16 0.17 114.58 118.71 2dya h GLU 133 Ca 0.06 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2dya h GLU 133 Cb 0.10 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2dya h GLU 133 CO -0.14 0.46 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.46 2dya h ARG 134 N 0.71 0.71 -0.31 1.92 2.43 -1.10 -2.96 114.38 115.79 2dya h ARG 134 Ca 0.20 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 2dya h ARG 134 Cb -0.07 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2dya h ARG 134 CO -0.05 0.83 -0.11 0.93 -1.51 0.00 0.00 179.97 180.07 2dya h GLU 135 N 0.52 0.62 -0.77 0.20 5.08 -0.29 -2.94 114.58 117.00 2dya h GLU 135 Ca 0.10 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2dya h GLU 135 Cb 0.55 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 2dya h GLU 135 CO 0.03 0.82 0.51 0.82 -1.00 0.00 0.00 179.01 180.19 2dya h ILE 136 N 0.38 1.08 -0.38 3.13 2.04 -0.70 -2.23 117.51 120.84 2dya h ILE 136 Ca 0.07 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 2dya h ILE 136 Cb 0.62 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2dya h ILE 136 CO 0.04 0.16 -0.09 0.28 0.00 0.00 0.00 178.15 178.54 2dya h SER 137 N 0.89 0.62 0.01 1.72 0.02 -1.42 0.14 113.55 115.54 2dya h SER 137 Ca 0.32 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2dya h SER 137 Cb 0.13 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2dya h SER 137 CO -0.10 0.75 -0.28 -0.07 -1.14 0.00 0.00 176.83 176.00 2dya h LEU 138 N 0.59 0.41 0.00 5.07 3.38 -1.23 -3.34 115.31 120.19 2dya h LEU 138 Ca 0.11 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2dya h LEU 138 Cb 0.50 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2dya h LEU 138 CO 0.03 0.68 -1.97 0.49 0.09 0.00 0.00 178.44 177.76 2dya n PHE 139 N -4.11 0.00 -4.97 1.13 3.72 -1.14 -5.02 117.46 107.06 2dya n PHE 139 Ca -0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 2dya n PHE 139 Cb 0.41 -0.64 -0.16 0.00 -0.94 0.00 0.00 39.48 38.15 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 -2.66 1.80 0.22 1.38 0.08 0.47 -5.12 117.98 114.16 2dya s PHE 140 Ca -0.07 -0.37 -0.07 0.00 0.12 0.00 0.00 56.93 56.54 2dya s PHE 140 Cb 0.07 -1.17 -0.06 0.00 -0.57 0.00 0.00 43.02 41.29 2dya s PHE 140 CO 0.67 -0.05 0.51 0.15 -0.10 0.00 0.00 175.22 176.39 2dya s LYS 141 N -0.40 3.71 0.45 0.44 1.02 -1.26 -4.45 119.74 119.24 2dya s LYS 141 Ca 0.06 0.11 0.24 0.00 0.02 0.00 0.00 55.97 56.40 2dya s LYS 141 Cb -0.08 -2.70 1.25 0.00 -0.52 0.00 0.00 37.83 35.78 2dya s LYS 141 CO -0.00 0.33 1.81 -1.35 -0.92 0.00 0.00 175.35 175.22 2dya h PRO 142 N 2.37 0.25 0.00 -1.68 0.11 -1.97 0.18 132.00 131.26 2dya h PRO 142 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2dya h PRO 142 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2dya h PRO 142 CO 0.69 0.17 0.00 0.39 -0.21 0.00 0.00 178.00 179.04 2dya n GLU 143 N -4.46 0.01 -0.02 1.05 4.71 -1.26 -2.25 120.64 118.41 2dya n GLU 143 Ca 0.23 0.27 0.10 0.00 -0.01 0.00 0.00 57.16 57.75 2dya n GLU 143 Cb 0.93 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.95 2dya n GLU 143 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2dya n GLU 144 N -1.49 1.86 -4.66 3.49 1.02 0.62 -4.91 120.64 116.57 2dya n GLU 144 Ca 0.03 -1.76 -0.33 0.00 -0.02 0.00 0.00 57.16 55.08 2dya n GLU 144 Cb 0.15 -1.39 -0.13 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.63 2.98 0.22 -4.62 1.43 -0.95 -4.40 118.68 111.70 2dya s LEU 145 Ca 0.25 -0.17 0.11 0.00 -1.03 0.00 0.00 54.13 53.29 2dya s LEU 145 Cb 0.17 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 2dya s LEU 145 CO 0.25 0.26 -0.21 -0.36 0.23 0.00 0.00 176.35 176.52 2dya s PHE 146 N -0.18 2.19 -0.25 0.29 0.08 0.64 -5.00 117.98 115.75 2dya s PHE 146 Ca 0.01 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.68 2dya s PHE 146 Cb -0.13 -1.03 0.03 0.00 -0.57 0.00 0.00 43.02 41.32 2dya s PHE 146 CO 0.03 0.54 -0.08 -2.00 -0.10 0.00 0.00 175.22 173.61 2dya s GLU 147 N -3.03 2.71 0.08 0.44 2.12 -1.26 -4.72 118.70 115.05 2dya s GLU 147 Ca 0.23 -1.05 -0.24 0.00 0.36 0.00 0.00 54.97 54.27 2dya s GLU 147 Cb -0.06 -2.95 0.06 0.00 0.26 0.00 0.00 34.13 31.44 2dya s GLU 147 CO 0.11 -0.43 0.57 1.52 -0.54 0.00 0.00 175.26 176.49 2dya s TYR 148 N 1.28 -0.50 0.08 5.30 -0.85 -1.26 -5.16 117.35 116.24 2dya s TYR 148 Ca -0.01 0.48 -0.24 0.00 -0.52 0.00 0.00 57.07 56.78 2dya s TYR 148 Cb -0.17 0.44 -0.06 0.00 0.38 0.00 0.00 41.96 42.55 2dya s TYR 148 CO -0.05 -0.73 0.72 -1.25 -1.52 0.00 0.00 175.55 172.72 2dya s PRO 149 N -2.90 4.46 0.44 -3.49 0.04 -1.26 -5.07 135.00 127.22 2dya s PRO 149 Ca -0.03 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 61.99 2dya s PRO 149 Cb -0.00 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 2dya s PRO 149 CO -0.05 0.43 0.70 1.03 0.04 0.00 0.00 177.00 179.14 2dya s ARG 150 N -0.54 3.40 0.07 4.56 1.81 -1.26 -5.00 118.95 122.00 2dya s ARG 150 Ca 0.35 -0.09 -0.14 0.00 -1.72 0.00 0.00 55.73 54.14 2dya s ARG 150 Cb -0.21 -2.49 -0.03 0.00 -0.45 0.00 0.00 34.95 31.77 2dya s ARG 150 CO 0.23 -0.14 1.18 0.00 -0.68 0.00 0.00 175.30 175.88 2dya n ALA 151 N -2.10 -0.28 1.98 2.13 0.00 -1.26 -2.10 120.51 118.87 2dya n ALA 151 Ca -0.01 0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.89 2dya n ALA 151 Cb 0.56 0.19 0.50 0.00 0.00 0.00 0.00 19.45 20.70 2dya n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dya n ALA 152 N -3.10 2.60 -0.30 0.00 0.00 -1.26 -4.36 120.51 114.09 2dya n ALA 152 Ca 0.01 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2dya n ALA 152 Cb 0.11 -1.27 0.28 0.00 0.00 0.00 0.00 19.45 18.58 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 0.06 0.31 -0.18 0.00 5.19 -1.81 -0.11 116.42 119.87 2dya h ASP 153 Ca 0.00 0.15 0.04 0.00 -0.62 0.00 0.00 57.03 56.60 2dya h ASP 153 Cb 0.01 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2dya h ASP 153 CO 0.00 0.01 0.13 4.11 -3.12 0.00 0.00 179.24 180.37 2dya h TRP 154 N 0.40 0.04 -0.12 4.55 5.08 -1.82 -2.64 115.95 121.45 2dya h TRP 154 Ca 0.53 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.48 2dya h TRP 154 Cb 0.98 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 27.12 2dya h TRP 154 CO -0.15 0.02 -0.05 0.35 -1.28 0.00 0.00 178.44 177.33 2dya h PHE 155 N 0.04 0.17 -0.05 0.12 3.57 -1.34 -3.05 116.94 116.39 2dya h PHE 155 Ca 0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2dya h PHE 155 Cb 0.28 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2dya h PHE 155 CO -0.00 0.23 0.00 0.66 -2.23 0.00 0.00 178.31 176.97 2dya n TYR 156 N -4.38 0.05 -1.75 0.41 4.01 -0.99 -4.96 117.16 109.54 2dya n TYR 156 Ca -0.01 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 2dya n TYR 156 Cb 0.19 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.23 2dya n TYR 156 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2dya n LYS 157 N 0.44 2.35 -3.22 -0.72 5.02 -1.16 -4.94 118.16 115.93 2dya n LYS 157 Ca 0.18 0.83 -0.45 0.00 -2.02 0.00 0.00 58.31 56.85 2dya n LYS 157 Cb 0.40 -2.58 -0.05 0.00 -0.02 0.00 0.00 35.03 32.78 2dya n LYS 157 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2dya s LYS 158 N -2.24 3.02 0.00 1.97 1.02 -1.26 -5.14 119.74 117.11 2dya s LYS 158 Ca 0.58 -1.47 0.00 0.00 0.02 0.00 0.00 55.97 55.10 2dya s LYS 158 Cb -0.48 -4.26 0.00 0.00 -0.52 0.00 0.00 37.83 32.57 2dya s LYS 158 CO 0.60 -1.40 0.31 0.41 -0.92 0.00 0.00 175.35 174.36