#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hht s ASP 11 N 0.00 6.90 0.00 4.38 -1.08 -1.26 -4.90 116.67 120.71 3hht s ASP 11 Ca 0.00 2.04 0.12 0.00 -0.52 0.00 0.00 52.55 54.19 3hht s ASP 11 Cb 0.00 -2.56 0.61 0.00 -1.46 0.00 0.00 42.92 39.51 3hht s ASP 11 CO 0.00 -0.68 1.30 -2.65 0.52 0.00 0.00 175.17 173.66 3hht n PRO 12 N 5.31 0.17 0.23 4.34 -0.02 -1.26 -0.47 135.00 143.29 3hht n PRO 12 Ca 0.13 0.18 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 3hht n PRO 12 Cb 0.44 -1.50 0.40 0.00 -0.02 0.00 0.00 33.50 32.82 3hht n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hht h ARG 13 N 0.00 0.00 -0.45 -0.52 3.08 -2.09 -3.38 114.38 111.03 3hht h ARG 13 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 3hht h ARG 13 Cb 0.12 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.81 3hht h ARG 13 CO 0.00 0.12 -0.91 1.19 -1.07 0.00 0.00 179.97 179.30 3hht n PHE 14 N -3.20 1.52 0.27 3.04 3.72 0.38 -4.84 117.46 118.35 3hht n PHE 14 Ca 0.02 -1.89 0.13 0.00 -0.05 0.00 0.00 57.45 55.65 3hht n PHE 14 Cb 0.45 -0.27 0.75 0.00 -0.94 0.00 0.00 39.48 39.48 3hht n PHE 14 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hht h PRO 15 N 2.04 0.00 0.00 -1.08 0.13 -1.75 -2.17 132.00 129.17 3hht h PRO 15 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3hht h PRO 15 Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.55 3hht h PRO 15 CO 0.37 0.09 0.00 -2.39 -0.23 0.00 0.00 178.00 175.84 3hht n HIS 16 N -3.77 0.00 0.76 1.56 1.44 -1.26 -2.15 115.22 111.80 3hht n HIS 16 Ca -0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.82 3hht n HIS 16 Cb 0.20 -0.31 0.45 0.00 0.12 0.00 0.00 29.99 30.45 3hht n HIS 16 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3hht n HIS 17 N -1.31 0.57 -3.73 -1.40 8.25 -0.81 -4.77 115.22 112.01 3hht n HIS 17 Ca 0.09 0.17 -0.37 0.00 -0.26 0.00 0.00 57.72 57.35 3hht n HIS 17 Cb 0.18 -0.76 -0.11 0.00 1.12 0.00 0.00 29.99 30.42 3hht n HIS 17 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3hht s HIS 18 N -3.07 3.54 0.67 4.41 3.76 -0.92 -5.09 115.29 118.59 3hht s HIS 18 Ca 0.11 -2.26 -0.14 0.00 -0.15 0.00 0.00 55.06 52.62 3hht s HIS 18 Cb 0.15 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.62 3hht s HIS 18 CO 0.59 -0.97 1.10 -1.25 -0.85 0.00 0.00 174.74 173.36 3hht s PRO 19 N 1.20 2.80 0.35 8.40 0.04 -1.26 -4.99 135.00 141.52 3hht s PRO 19 Ca 0.07 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.13 3hht s PRO 19 Cb -0.23 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 3hht s PRO 19 CO -0.03 -1.24 1.42 1.03 0.04 0.00 0.00 177.00 178.22 3hht s ARG 20 N -4.28 4.21 0.65 4.56 1.81 -1.26 -4.99 118.95 119.65 3hht s ARG 20 Ca 0.65 2.42 -0.15 0.00 -1.72 0.00 0.00 55.73 56.93 3hht s ARG 20 Cb -0.19 -3.02 -0.01 0.00 -0.45 0.00 0.00 34.95 31.28 3hht s ARG 20 CO 0.44 -0.40 1.09 -1.25 -0.68 0.00 0.00 175.30 174.50 3hht s PRO 21 N -1.77 2.92 0.53 3.54 0.04 -1.26 -4.91 135.00 134.09 3hht s PRO 21 Ca 0.52 1.31 0.25 0.00 0.04 0.00 0.00 61.00 63.12 3hht s PRO 21 Cb -0.44 -1.97 1.47 0.00 0.04 0.00 0.00 34.50 33.60 3hht s PRO 21 CO 0.57 -1.14 2.11 1.96 0.04 0.00 0.00 177.00 180.54 3hht h GLN 22 N 0.05 0.00 -0.47 4.56 4.20 -2.01 -0.41 115.11 121.03 3hht h GLN 22 Ca -0.46 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.33 3hht h GLN 22 Cb 1.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 3hht h GLN 22 CO 0.55 0.10 0.32 0.66 -0.67 0.00 0.00 178.83 179.79 3hht h SER 23 N 0.00 0.25 -0.18 1.46 4.64 -2.00 -1.79 113.55 115.93 3hht h SER 23 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hht h SER 23 Cb 0.23 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3hht h SER 23 CO 0.01 0.15 0.08 0.15 -0.87 0.00 0.00 176.83 176.35 3hht h PHE 24 N 0.28 0.28 -0.75 4.77 3.57 -1.42 -1.20 116.94 122.46 3hht h PHE 24 Ca 0.22 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3hht h PHE 24 Cb 0.49 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 3hht h PHE 24 CO -0.00 0.33 0.45 -1.49 -2.23 0.00 0.00 178.31 175.37 3hht h TRP 25 N 0.15 1.00 -0.16 0.41 4.06 -1.38 0.13 115.95 120.15 3hht h TRP 25 Ca 0.06 -0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.02 3hht h TRP 25 Cb 0.17 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 3hht h TRP 25 CO -0.01 0.67 0.06 1.49 -3.56 0.00 0.00 178.44 177.09 3hht h GLU 26 N 1.03 0.14 -0.74 0.49 4.81 -1.32 -0.74 114.58 118.25 3hht h GLU 26 Ca 0.27 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3hht h GLU 26 Cb -0.03 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3hht h GLU 26 CO -0.05 0.09 0.42 0.00 -0.73 0.00 0.00 179.01 178.74 3hht h ALA 27 N 1.09 0.94 -0.74 2.92 0.00 -0.88 -2.10 119.26 120.49 3hht h ALA 27 Ca 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hht h ALA 27 Cb 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3hht h ALA 27 CO -0.06 0.44 0.23 -0.09 0.00 0.00 0.00 179.25 179.76 3hht h ARG 28 N 1.01 1.16 -0.42 0.00 9.65 -0.61 -0.55 114.38 124.63 3hht h ARG 28 Ca 0.26 -0.25 0.02 0.00 -1.10 0.00 0.00 59.98 58.90 3hht h ARG 28 Cb 0.01 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.40 3hht h ARG 28 CO -0.04 0.99 0.25 0.00 2.80 0.00 0.00 179.97 183.96 3hht h ALA 29 N 1.12 0.53 -0.43 2.80 0.00 -0.81 -0.32 119.26 122.14 3hht h ALA 29 Ca 0.24 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3hht h ALA 29 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hht h ALA 29 CO -0.01 -0.07 -0.08 0.87 0.00 0.00 0.00 179.25 179.96 3hht h LYS 30 N 0.51 0.75 -0.31 0.00 1.57 -1.11 -0.93 116.57 117.04 3hht h LYS 30 Ca 0.16 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3hht h LYS 30 Cb -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3hht h LYS 30 CO -0.07 0.82 0.09 0.00 -0.57 0.00 0.00 179.45 179.72 3hht h ALA 31 N 1.22 0.41 -0.16 3.86 0.00 -0.77 -0.15 119.26 123.68 3hht h ALA 31 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hht h ALA 31 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3hht h ALA 31 CO 0.03 0.06 0.03 -0.07 0.00 0.00 0.00 179.25 179.30 3hht h LEU 32 N 0.35 -0.00 -0.23 0.00 3.38 -0.86 -0.73 115.31 117.21 3hht h LEU 32 Ca 0.10 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3hht h LEU 32 Cb 0.27 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3hht h LEU 32 CO -0.00 0.02 -0.08 -0.08 0.09 0.00 0.00 178.44 178.39 3hht h GLU 33 N 0.09 -0.03 -0.21 1.13 4.81 -1.04 -0.51 114.58 118.82 3hht h GLU 33 Ca 0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3hht h GLU 33 Cb 0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3hht h GLU 33 CO -0.10 -0.02 0.07 0.77 -0.73 0.00 0.00 179.01 179.00 3hht h SER 34 N -0.03 0.31 -0.45 1.04 0.02 -0.84 -1.18 113.55 112.42 3hht h SER 34 Ca 0.12 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3hht h SER 34 Cb 0.21 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3hht h SER 34 CO -0.26 0.43 0.22 -0.07 -1.14 0.00 0.00 176.83 176.01 3hht h LEU 35 N 0.17 0.58 -0.89 5.07 3.38 -1.02 -0.88 115.31 121.72 3hht h LEU 35 Ca 0.07 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3hht h LEU 35 Cb 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3hht h LEU 35 CO -0.00 0.54 -0.15 -0.07 0.09 0.00 0.00 178.44 178.85 3hht h LEU 36 N 0.58 0.65 -0.15 1.67 3.38 -0.97 -1.18 115.31 119.29 3hht h LEU 36 Ca 0.15 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3hht h LEU 36 Cb 0.11 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hht h LEU 36 CO -0.02 0.81 -0.09 0.40 0.09 0.00 0.00 178.44 179.64 3hht h ILE 37 N 0.59 1.32 -0.78 1.22 2.04 -1.13 0.60 117.51 121.37 3hht h ILE 37 Ca 0.10 -1.16 0.07 0.00 1.00 0.00 0.00 64.86 64.87 3hht h ILE 37 Cb 0.60 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 3hht h ILE 37 CO 0.04 0.34 0.51 -0.33 0.00 0.00 0.00 178.15 178.71 3hht h GLU 38 N -0.01 0.79 -0.01 2.37 5.08 -1.00 -1.76 114.58 120.03 3hht h GLU 38 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hht h GLU 38 Cb 0.57 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3hht h GLU 38 CO 0.03 0.52 0.00 1.63 -1.00 0.00 0.00 179.01 180.19 3hht n LYS 39 N -4.49 1.39 -0.79 2.33 5.02 -0.46 -4.93 118.16 116.23 3hht n LYS 39 Ca 0.12 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 3hht n LYS 39 Cb 0.24 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3hht n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hht n GLY 40 N 1.09 0.64 0.10 0.72 0.00 -0.66 -4.94 105.19 102.14 3hht n GLY 40 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 3hht n GLY 40 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hht h HIS 41 N 0.00 0.39 -2.74 1.61 3.86 -1.12 -3.47 115.15 113.68 3hht h HIS 41 Ca 0.00 -0.28 -0.48 0.00 -1.16 0.00 0.00 60.37 58.45 3hht h HIS 41 Cb 0.00 -0.02 -0.14 0.00 1.06 0.00 0.00 27.41 28.32 3hht h HIS 41 CO 0.00 1.25 -0.64 -0.51 0.86 0.00 0.00 177.93 178.90 3hht s LEU 42 N -6.99 2.34 0.09 2.43 1.43 -0.90 -4.98 118.68 112.10 3hht s LEU 42 Ca -0.05 -1.29 0.01 0.00 -1.03 0.00 0.00 54.13 51.77 3hht s LEU 42 Cb 0.07 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 3hht s LEU 42 CO 0.86 -0.49 -0.05 -0.94 0.23 0.00 0.00 176.35 175.96 3hht s SER 43 N -3.47 0.98 0.19 2.29 1.04 -1.26 -4.23 113.70 109.24 3hht s SER 43 Ca 0.33 -1.01 -0.12 0.00 0.48 0.00 0.00 55.95 55.62 3hht s SER 43 Cb 0.07 0.12 0.16 0.00 0.10 0.00 0.00 66.02 66.47 3hht s SER 43 CO 0.14 -0.50 1.79 0.28 0.98 0.00 0.00 173.24 175.92 3hht h SER 44 N 3.00 0.40 0.61 7.02 0.02 -1.99 -2.58 113.55 120.02 3hht h SER 44 Ca -0.35 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.51 3hht h SER 44 Cb 1.16 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 3hht h SER 44 CO 0.65 0.27 -0.57 -2.24 -1.14 0.00 0.00 176.83 173.80 3hht h ASP 45 N 0.53 0.00 -0.35 3.07 2.03 -1.98 -1.73 116.42 117.98 3hht h ASP 45 Ca 0.24 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.49 3hht h ASP 45 Cb 0.15 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 3hht h ASP 45 CO -0.17 0.57 0.03 0.00 -1.03 0.00 0.00 179.24 178.65 3hht h ALA 46 N 1.43 0.47 -0.21 4.15 0.00 -1.90 -1.01 119.26 122.19 3hht h ALA 46 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3hht h ALA 46 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3hht h ALA 46 CO 0.07 0.20 0.07 0.82 0.00 0.00 0.00 179.25 180.41 3hht h ILE 47 N 0.43 1.19 -0.66 0.00 2.04 -1.33 -2.83 117.51 116.34 3hht h ILE 47 Ca 0.10 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 3hht h ILE 47 Cb 0.40 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3hht h ILE 47 CO 0.01 0.19 0.31 -0.08 0.00 0.00 0.00 178.15 178.57 3hht h GLU 48 N 0.18 0.95 -0.65 2.37 4.57 -1.27 -2.59 114.58 118.14 3hht h GLU 48 Ca 0.07 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3hht h GLU 48 Cb 0.22 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3hht h GLU 48 CO -0.00 0.74 0.41 -0.09 -1.18 0.00 0.00 179.01 178.89 3hht h ARG 49 N 0.94 0.81 -0.21 1.92 9.65 -0.98 -0.66 114.38 125.85 3hht h ARG 49 Ca 0.23 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 3hht h ARG 49 Cb 0.12 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 3hht h ARG 49 CO -0.03 0.53 0.10 0.28 2.80 0.00 0.00 179.97 183.66 3hht h VAL 50 N 0.83 1.13 -0.37 0.20 2.07 -1.24 -2.02 116.25 116.85 3hht h VAL 50 Ca 0.25 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3hht h VAL 50 Cb -0.04 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3hht h VAL 50 CO -0.08 0.13 0.23 0.40 0.02 0.00 0.00 177.57 178.27 3hht h ILE 51 N 0.21 1.06 -0.61 4.57 2.04 -1.12 -1.97 117.51 121.69 3hht h ILE 51 Ca 0.07 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3hht h ILE 51 Cb 0.11 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3hht h ILE 51 CO -0.01 0.08 0.35 0.50 0.00 0.00 0.00 178.15 179.08 3hht h LYS 52 N 0.46 0.65 0.14 2.37 3.64 -1.06 0.44 116.57 123.21 3hht h LYS 52 Ca 0.14 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3hht h LYS 52 Cb -0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3hht h LYS 52 CO -0.06 0.43 -0.15 1.25 -2.27 0.00 0.00 179.45 178.65 3hht h HIS 53 N 0.67 -0.40 0.12 1.91 2.76 -0.72 -1.08 115.15 118.41 3hht h HIS 53 Ca 0.26 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.16 3hht h HIS 53 Cb 0.10 0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.21 3hht h HIS 53 CO -0.07 -0.23 -1.26 1.88 -1.30 0.00 0.00 177.93 176.95 3hht h TYR 54 N -0.33 0.45 0.05 5.26 -1.99 -1.21 -1.25 116.97 117.95 3hht h TYR 54 Ca 0.01 -0.33 -0.23 0.00 2.00 0.00 0.00 58.73 60.18 3hht h TYR 54 Cb 0.32 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 3hht h TYR 54 CO -0.14 1.27 -1.05 1.49 -0.00 0.00 0.00 178.16 179.73 3hht h GLU 55 N 0.07 0.15 0.00 4.88 4.81 -0.95 -3.41 114.58 120.12 3hht h GLU 55 Ca -0.14 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3hht h GLU 55 Cb 1.96 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.42 3hht h GLU 55 CO 0.19 1.06 -0.83 0.72 -0.73 0.00 0.00 179.01 179.43 3hht n HIS 56 N -3.50 0.00 0.12 0.92 8.25 -0.48 -4.85 115.22 115.68 3hht n HIS 56 Ca -0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.18 3hht n HIS 56 Cb 0.93 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.90 3hht n HIS 56 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3hht h GLU 57 N 0.00 0.59 -6.64 -0.41 5.08 -0.80 -3.46 114.58 108.94 3hht h GLU 57 Ca 0.00 -0.89 -0.47 0.00 -1.00 0.00 0.00 59.36 57.00 3hht h GLU 57 Cb 0.83 0.32 0.02 0.00 0.50 0.00 0.00 28.75 30.41 3hht h GLU 57 CO 0.00 1.42 -0.12 -0.51 -1.00 0.00 0.00 179.01 178.80 3hht s LEU 58 N -7.72 3.78 0.00 1.33 1.43 -0.53 -5.05 118.68 111.93 3hht s LEU 58 Ca -0.09 0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3hht s LEU 58 Cb 0.05 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 43.02 3hht s LEU 58 CO 0.94 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 177.59 3hht n GLY 59 N -1.98 -0.06 0.00 -3.19 0.00 -1.26 -4.78 105.19 93.92 3hht n GLY 59 Ca -0.01 -1.15 0.09 0.00 0.00 0.00 0.00 46.02 44.95 3hht n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hht n PRO 60 N -0.70 0.11 -0.11 1.61 -0.04 -0.96 -2.70 135.00 132.21 3hht n PRO 60 Ca 0.00 0.15 0.19 0.00 -0.04 0.00 0.00 63.50 63.80 3hht n PRO 60 Cb 0.00 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 32.56 3hht n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hht h MET 61 N 0.00 0.21 -0.07 0.54 -0.00 -1.88 -1.08 114.93 112.64 3hht h MET 61 Ca 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.70 59.65 3hht h MET 61 Cb 0.27 -0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 31.82 3hht h MET 61 CO 0.00 0.14 -0.10 -0.91 -0.00 0.00 0.00 176.91 176.04 3hht h ASN 62 N 0.21 0.22 -0.98 -0.10 2.35 -1.64 -1.58 115.58 114.05 3hht h ASN 62 Ca 0.34 -0.52 0.04 0.00 -0.55 0.00 0.00 56.30 55.60 3hht h ASN 62 Cb 1.02 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 39.27 3hht h ASN 62 CO -0.07 0.70 0.64 1.23 -1.65 0.00 0.00 177.43 178.28 3hht h GLY 63 N -0.26 1.43 1.04 2.83 0.00 -0.86 -2.29 103.07 104.97 3hht h GLY 63 Ca 0.01 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3hht h GLY 63 CO 0.02 0.42 0.58 0.00 0.00 0.00 0.00 176.54 177.56 3hht h ALA 64 N 1.43 1.24 -0.79 3.60 0.00 -1.03 -0.62 119.26 123.09 3hht h ALA 64 Ca 0.39 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3hht h ALA 64 Cb -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 3hht h ALA 64 CO -0.12 0.66 0.52 0.87 0.00 0.00 0.00 179.25 181.18 3hht h LYS 65 N 1.29 1.04 -0.49 0.00 1.57 -0.75 -0.97 116.57 118.25 3hht h LYS 65 Ca 0.34 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3hht h LYS 65 Cb -0.07 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 3hht h LYS 65 CO -0.07 0.69 0.06 0.28 -0.57 0.00 0.00 179.45 179.84 3hht h VAL 66 N 1.07 1.25 -0.23 0.50 2.07 -0.81 -1.10 116.25 119.00 3hht h VAL 66 Ca 0.29 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3hht h VAL 66 Cb -0.12 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3hht h VAL 66 CO -0.06 0.34 0.09 0.58 0.02 0.00 0.00 177.57 178.54 3hht h VAL 67 N 0.70 1.17 -0.53 2.57 2.07 -0.95 -0.93 116.25 120.35 3hht h VAL 67 Ca 0.15 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3hht h VAL 67 Cb 0.43 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3hht h VAL 67 CO 0.01 0.17 0.12 0.00 0.02 0.00 0.00 177.57 177.89 3hht h ALA 68 N 0.93 1.21 -0.44 1.67 0.00 -1.04 -0.74 119.26 120.86 3hht h ALA 68 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3hht h ALA 68 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hht h ALA 68 CO -0.01 0.54 -0.02 -0.22 0.00 0.00 0.00 179.25 179.55 3hht h LYS 69 N 0.79 0.78 -0.79 0.00 3.64 -0.98 -1.68 116.57 118.33 3hht h LYS 69 Ca 0.17 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3hht h LYS 69 Cb 0.30 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3hht h LYS 69 CO 0.00 0.86 0.39 0.00 -2.27 0.00 0.00 179.45 178.43 3hht h ALA 70 N 0.90 1.21 -0.13 5.00 0.00 -0.62 0.01 119.26 125.62 3hht h ALA 70 Ca 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3hht h ALA 70 Cb 0.52 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hht h ALA 70 CO 0.03 0.61 -0.29 -1.49 0.00 0.00 0.00 179.25 178.11 3hht h TRP 71 N 1.12 0.27 0.00 0.00 6.55 -0.96 -3.29 115.95 119.63 3hht h TRP 71 Ca 0.27 -0.05 -0.05 0.00 0.95 0.00 0.00 58.89 60.01 3hht h TRP 71 Cb 0.09 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.31 3hht h TRP 71 CO 0.01 0.51 -1.64 0.25 -1.05 0.00 0.00 178.44 176.52 3hht n THR 72 N -4.13 0.47 -3.71 1.49 -2.24 -0.65 -4.78 114.28 100.73 3hht n THR 72 Ca -0.01 -0.57 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 3hht n THR 72 Cb 0.39 -0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.24 3hht n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hht s ASP 73 N -5.03 3.77 0.42 3.42 -1.08 -0.05 -5.00 116.67 113.12 3hht s ASP 73 Ca -0.05 -2.22 0.11 0.00 -0.52 0.00 0.00 52.55 49.87 3hht s ASP 73 Cb 0.11 -0.94 0.94 0.00 -1.46 0.00 0.00 42.92 41.57 3hht s ASP 73 CO 0.85 -0.33 1.99 -0.65 0.52 0.00 0.00 175.17 177.56 3hht h PRO 74 N 7.27 0.49 -0.37 4.34 0.11 -1.84 -0.93 132.00 141.07 3hht h PRO 74 Ca -0.05 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3hht h PRO 74 Cb 0.97 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 3hht h PRO 74 CO 0.46 0.32 0.11 0.00 -0.21 0.00 0.00 178.00 178.69 3hht h ALA 75 N 1.69 0.48 -0.27 -0.75 0.00 -1.94 -1.45 119.26 117.03 3hht h ALA 75 Ca 0.25 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hht h ALA 75 Cb 0.35 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hht h ALA 75 CO -0.07 0.13 0.14 0.35 0.00 0.00 0.00 179.25 179.80 3hht h PHE 76 N 0.44 0.26 -0.49 0.00 3.57 -1.68 -1.76 116.94 117.29 3hht h PHE 76 Ca 0.12 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.71 3hht h PHE 76 Cb 0.26 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 3hht h PHE 76 CO 0.01 0.15 0.12 -0.22 -2.23 0.00 0.00 178.31 176.15 3hht h LYS 77 N 0.30 0.26 -0.42 1.11 3.64 -1.04 0.12 116.57 120.53 3hht h LYS 77 Ca 0.11 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3hht h LYS 77 Cb 0.02 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3hht h LYS 77 CO -0.07 0.18 0.14 0.37 -2.27 0.00 0.00 179.45 177.80 3hht h GLN 78 N 0.27 0.65 -0.77 1.90 4.15 -1.12 -1.19 115.11 119.00 3hht h GLN 78 Ca 0.24 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 3hht h GLN 78 Cb 0.30 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 3hht h GLN 78 CO -0.29 0.63 0.29 0.00 -1.93 0.00 0.00 178.83 177.53 3hht h ARG 79 N 0.54 1.16 -0.36 1.69 3.08 -0.67 -1.61 114.38 118.21 3hht h ARG 79 Ca 0.14 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hht h ARG 79 Cb 0.24 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3hht h ARG 79 CO -0.01 0.95 0.21 1.25 -1.07 0.00 0.00 179.97 181.30 3hht h LEU 80 N 1.13 0.33 -0.73 3.04 5.85 -0.48 -0.92 115.31 123.53 3hht h LEU 80 Ca 0.26 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.85 3hht h LEU 80 Cb 0.23 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3hht h LEU 80 CO -0.02 0.24 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.62 3hht h LEU 81 N 0.42 0.01 -0.33 2.25 3.38 -1.08 -1.62 115.31 118.34 3hht h LEU 81 Ca 0.15 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 3hht h LEU 81 Cb 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hht h LEU 81 CO -0.07 0.64 -0.69 -0.33 0.09 0.00 0.00 178.44 178.07 3hht h GLU 82 N 0.01 0.61 -0.83 1.13 5.08 -1.00 -3.41 114.58 116.17 3hht h GLU 82 Ca -0.01 -0.47 -0.32 0.00 -1.00 0.00 0.00 59.36 57.57 3hht h GLU 82 Cb 1.12 0.09 -0.22 0.00 0.50 0.00 0.00 28.75 30.23 3hht h GLU 82 CO 0.08 1.09 -0.67 -3.47 -1.00 0.00 0.00 179.01 175.04 3hht n ASP 83 N -3.91 -2.11 0.01 1.42 2.03 -0.38 -5.01 116.55 108.61 3hht n ASP 83 Ca -0.05 -3.02 0.01 0.00 0.52 0.00 0.00 54.79 52.24 3hht n ASP 83 Cb 0.69 1.06 0.32 0.00 -0.72 0.00 0.00 41.12 42.48 3hht n ASP 83 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3hht h SER 84 N 4.31 0.46 -0.45 1.67 4.64 -1.47 -2.55 113.55 120.16 3hht h SER 84 Ca -0.03 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 3hht h SER 84 Cb 1.00 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 3hht h SER 84 CO 0.31 0.51 0.08 -0.33 -0.87 0.00 0.00 176.83 176.53 3hht h GLU 85 N 0.48 0.73 -0.37 4.77 5.08 -1.86 0.52 114.58 123.92 3hht h GLU 85 Ca 0.11 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3hht h GLU 85 Cb 0.28 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3hht h GLU 85 CO 0.01 0.75 0.09 1.15 -1.00 0.00 0.00 179.01 180.01 3hht h THR 86 N 0.60 1.22 -0.29 1.13 2.02 -1.89 -2.20 112.91 113.50 3hht h THR 86 Ca 0.14 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 3hht h THR 86 Cb 0.36 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3hht h THR 86 CO 0.01 0.26 0.03 0.58 0.37 0.00 0.00 175.52 176.76 3hht h VAL 87 N 0.45 1.24 -0.62 3.16 2.07 -1.23 -1.40 116.25 119.93 3hht h VAL 87 Ca 0.12 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 3hht h VAL 87 Cb 0.30 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3hht h VAL 87 CO 0.00 0.28 0.02 -0.07 0.02 0.00 0.00 177.57 177.82 3hht h LEU 88 N 0.30 1.06 -0.95 2.57 3.38 -0.92 -2.32 115.31 118.44 3hht h LEU 88 Ca 0.09 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3hht h LEU 88 Cb 0.38 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3hht h LEU 88 CO 0.01 1.09 0.46 -0.09 0.09 0.00 0.00 178.44 180.00 3hht h ARG 89 N 0.99 1.20 -0.36 1.13 2.43 -1.27 -1.26 114.38 117.24 3hht h ARG 89 Ca 0.18 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3hht h ARG 89 Cb 0.54 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3hht h ARG 89 CO 0.03 0.89 0.19 0.93 -1.51 0.00 0.00 179.97 180.49 3hht h GLU 90 N 1.20 0.50 0.00 0.20 5.08 -0.79 -1.06 114.58 119.72 3hht h GLU 90 Ca 0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3hht h GLU 90 Cb 0.05 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3hht h GLU 90 CO -0.05 0.38 0.00 1.28 -1.00 0.00 0.00 179.01 179.62 3hht n LEU 91 N -4.43 0.06 0.00 1.33 4.77 -0.90 -4.92 117.00 112.91 3hht n LEU 91 Ca 0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3hht n LEU 91 Cb 0.10 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3hht n LEU 91 CO 0.36 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3hht n GLY 92 N 0.93 0.73 3.27 -0.72 0.00 -0.40 -5.00 105.19 103.99 3hht n GLY 92 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 3hht n GLY 92 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hht n TYR 93 N -2.49 4.38 -3.68 1.61 0.53 -0.53 -4.88 117.16 112.11 3hht n TYR 93 Ca 0.00 -3.34 -0.14 0.00 -1.02 0.00 0.00 57.90 53.39 3hht n TYR 93 Cb 0.00 -1.87 -0.08 0.00 -1.03 0.00 0.00 39.34 36.36 3hht n TYR 93 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 3hht s TYR 94 N -0.14 -0.44 -5.00 -0.72 5.04 -1.26 -4.37 117.35 110.46 3hht s TYR 94 Ca 0.37 0.90 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 3hht s TYR 94 Cb -0.02 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.50 3hht s TYR 94 CO -0.01 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.22 3hht n GLY 95 N 1.81 -0.22 3.71 8.97 0.00 -1.22 -4.93 105.19 113.31 3hht n GLY 95 Ca -0.18 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 3hht n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hht n LEU 96 N 0.00 3.90 -1.43 0.99 7.94 -1.26 -0.72 117.00 126.42 3hht n LEU 96 Ca 0.00 1.05 -0.17 0.00 -1.11 0.00 0.00 56.01 55.77 3hht n LEU 96 Cb 0.00 -1.55 -0.06 0.00 0.53 0.00 0.00 43.42 42.34 3hht n LEU 96 CO 0.00 0.13 -0.17 0.00 -1.11 0.00 0.00 177.39 176.23 3hht n GLN 97 N 4.28 -1.24 -2.31 1.96 1.13 -1.26 -4.35 117.38 115.59 3hht n GLN 97 Ca 0.17 1.07 -0.01 0.00 -1.94 0.00 0.00 57.00 56.29 3hht n GLN 97 Cb 0.35 -5.34 0.05 0.00 0.11 0.00 0.00 30.24 25.41 3hht n GLN 97 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hht n GLY 98 N -0.87 1.56 0.10 1.08 0.00 0.10 -3.51 105.19 103.66 3hht n GLY 98 Ca -0.18 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 3hht n GLY 98 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hht h GLU 99 N 1.49 0.00 -2.40 1.61 3.07 -1.81 -3.23 114.58 113.30 3hht h GLU 99 Ca -0.31 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.01 3hht h GLU 99 Cb 1.41 0.00 -0.37 0.00 -0.84 0.00 0.00 28.75 28.94 3hht h GLU 99 CO -0.01 0.76 -0.86 -1.01 -1.40 0.00 0.00 179.01 176.49 3hht s HIS 100 N -2.96 0.62 -0.17 4.33 3.76 -1.26 -4.98 115.29 114.63 3hht s HIS 100 Ca 0.02 -1.69 -0.04 0.00 -0.15 0.00 0.00 55.06 53.20 3hht s HIS 100 Cb 0.10 -0.81 -0.02 0.00 1.11 0.00 0.00 32.58 32.95 3hht s HIS 100 CO 0.78 -0.86 -0.03 0.42 -0.85 0.00 0.00 174.74 174.20 3hht s ILE 101 N 0.83 3.86 -0.03 0.60 1.01 -1.26 -1.19 121.20 125.02 3hht s ILE 101 Ca 0.22 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.53 3hht s ILE 101 Cb -0.14 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 3hht s ILE 101 CO -0.05 0.47 -0.05 -0.13 0.00 0.00 0.00 174.94 175.18 3hht s ARG 102 N 0.63 2.69 -0.14 2.79 1.81 0.59 -3.63 118.95 123.68 3hht s ARG 102 Ca -0.02 -0.62 -0.03 0.00 -1.72 0.00 0.00 55.73 53.34 3hht s ARG 102 Cb -0.14 -2.59 -0.03 0.00 -0.45 0.00 0.00 34.95 31.74 3hht s ARG 102 CO 0.02 0.63 -0.04 0.08 -0.68 0.00 0.00 175.30 175.32 3hht s VAL 103 N -0.95 3.91 -0.12 3.52 1.01 -1.26 -0.91 120.40 125.59 3hht s VAL 103 Ca 0.16 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3hht s VAL 103 Cb -0.11 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.58 3hht s VAL 103 CO 0.06 0.51 -0.22 0.68 0.00 0.00 0.00 175.10 176.12 3hht s VAL 104 N 0.18 2.02 -0.21 2.92 -7.23 -0.42 -4.92 120.40 112.74 3hht s VAL 104 Ca -0.02 -0.97 -0.18 0.00 -1.81 0.00 0.00 61.98 59.00 3hht s VAL 104 Cb -0.14 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 3hht s VAL 104 CO 0.03 0.55 0.51 -0.70 -0.31 0.00 0.00 175.10 175.17 3hht s GLU 105 N 0.64 4.17 0.31 4.82 2.12 -1.26 -0.81 118.70 128.70 3hht s GLU 105 Ca -0.12 0.39 -0.28 0.00 0.36 0.00 0.00 54.97 55.32 3hht s GLU 105 Cb -0.16 -3.57 -0.10 0.00 0.26 0.00 0.00 34.13 30.56 3hht s GLU 105 CO 0.02 -0.17 1.14 -0.80 -0.54 0.00 0.00 175.26 174.92 3hht s ASN 106 N 1.20 7.05 0.41 -1.70 0.01 -0.52 -4.86 114.94 116.52 3hht s ASN 106 Ca 0.23 2.34 0.05 0.00 -0.71 0.00 0.00 52.86 54.77 3hht s ASN 106 Cb -0.15 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 38.86 3hht s ASN 106 CO 0.09 -0.30 0.18 0.42 -1.51 0.00 0.00 177.10 175.98 3hht s THR 107 N -1.23 0.37 0.38 1.60 -4.23 -0.47 -4.56 115.64 107.51 3hht s THR 107 Ca 0.48 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.08 3hht s THR 107 Cb -0.32 -2.31 0.17 0.00 1.34 0.00 0.00 72.50 71.37 3hht s THR 107 CO 0.42 0.00 1.92 0.44 -0.54 0.00 0.00 174.62 176.86 3hht h ASP 108 N 1.79 0.26 -0.12 3.99 3.32 -2.02 -3.00 116.42 120.64 3hht h ASP 108 Ca -0.31 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3hht h ASP 108 Cb 1.27 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3hht h ASP 108 CO 0.49 0.39 0.00 0.35 -1.72 0.00 0.00 179.24 178.76 3hht n THR 109 N -4.29 0.49 -3.93 0.35 -2.24 -1.26 -4.91 114.28 98.50 3hht n THR 109 Ca -0.00 -0.75 -0.26 0.00 -2.27 0.00 0.00 64.05 60.77 3hht n THR 109 Cb 0.25 0.83 -0.17 0.00 -2.10 0.00 0.00 70.33 69.15 3hht n THR 109 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hht s VAL 110 N -0.81 0.91 -0.13 2.28 1.01 -1.13 -0.89 120.40 121.63 3hht s VAL 110 Ca 0.12 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3hht s VAL 110 Cb 0.07 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 3hht s VAL 110 CO 0.10 0.35 -0.17 -2.28 0.00 0.00 0.00 175.10 173.10 3hht s HIS 111 N 1.67 2.73 -0.10 5.22 2.46 0.12 -1.37 115.29 126.03 3hht s HIS 111 Ca 0.03 -0.94 -0.04 0.00 0.47 0.00 0.00 55.06 54.59 3hht s HIS 111 Cb -0.13 -1.83 -0.04 0.00 -0.13 0.00 0.00 32.58 30.46 3hht s HIS 111 CO -0.07 -0.39 0.07 -0.80 -2.47 0.00 0.00 174.74 171.08 3hht s ASN 112 N 0.56 5.76 -0.01 9.88 0.01 -1.26 -0.87 114.94 129.01 3hht s ASN 112 Ca -0.10 0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 3hht s ASN 112 Cb -0.16 -1.74 0.01 0.00 0.41 0.00 0.00 41.25 39.77 3hht s ASN 112 CO 0.04 0.39 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.30 3hht s VAL 113 N -0.96 0.22 -0.00 1.60 1.01 -0.40 -4.12 120.40 117.74 3hht s VAL 113 Ca 0.15 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.10 3hht s VAL 113 Cb -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3hht s VAL 113 CO 0.04 0.10 -0.09 -0.69 0.00 0.00 0.00 175.10 174.45 3hht s VAL 114 N 0.31 3.49 0.16 2.92 1.01 -0.47 -0.61 120.40 127.20 3hht s VAL 114 Ca -0.03 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 3hht s VAL 114 Cb -0.06 -2.49 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 3hht s VAL 114 CO -0.01 0.42 0.31 0.54 0.00 0.00 0.00 175.10 176.36 3hht s VAL 115 N -0.95 0.07 -0.44 2.92 0.11 -0.43 -4.93 120.40 116.74 3hht s VAL 115 Ca 0.16 -1.25 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 3hht s VAL 115 Cb -0.11 -1.71 0.12 0.00 -1.53 0.00 0.00 36.38 33.15 3hht s VAL 115 CO 0.06 -0.32 0.20 0.00 -3.33 0.00 0.00 175.10 171.71 3hht h THR 117 N 5.75 1.16 0.00 0.00 1.35 -1.90 -3.35 112.91 115.93 3hht h THR 117 Ca -0.06 -0.64 -0.18 0.00 -0.55 0.00 0.00 66.41 64.98 3hht h THR 117 Cb 0.94 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 68.30 3hht h THR 117 CO 0.58 0.21 -0.95 -0.07 -0.25 0.00 0.00 175.52 175.05 3hht h LEU 118 N 0.38 0.00 -7.69 3.87 3.38 -1.93 -3.46 115.31 109.85 3hht h LEU 118 Ca 0.09 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.64 3hht h LEU 118 Cb 0.26 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.66 3hht h LEU 118 CO 0.01 0.81 -0.77 -0.94 0.09 0.00 0.00 178.44 177.64 3hht s SER 120 N -6.50 1.04 0.00 -0.43 1.04 -1.26 -5.23 113.70 102.36 3hht s SER 120 Ca 0.01 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.32 3hht s SER 120 Cb 0.09 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.77 3hht s SER 120 CO 0.80 -0.08 0.00 0.00 0.98 0.00 0.00 173.24 174.94 3hht n TYR 122 N 4.25 0.00 -2.67 5.02 9.36 -1.26 -4.90 117.16 126.96 3hht n TYR 122 Ca -0.22 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.57 3hht n TYR 122 Cb 0.51 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.21 3hht n TYR 122 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3hht s PRO 123 N -3.62 3.88 0.27 2.98 0.04 -1.26 -4.86 135.00 132.44 3hht s PRO 123 Ca 0.00 -1.87 0.01 0.00 0.04 0.00 0.00 61.00 59.18 3hht s PRO 123 Cb 0.00 -5.37 0.60 0.00 0.04 0.00 0.00 34.50 29.78 3hht s PRO 123 CO 0.00 -2.12 1.76 -1.49 0.04 0.00 0.00 177.00 175.18 3hht h TRP 124 N 8.14 0.81 0.00 0.56 6.55 -1.69 -0.27 115.95 130.05 3hht h TRP 124 Ca 0.34 0.04 -0.01 0.00 0.95 0.00 0.00 58.89 60.21 3hht h TRP 124 Cb 0.92 -0.23 -0.00 0.00 -0.86 0.00 0.00 29.16 28.99 3hht h TRP 124 CO 1.32 0.16 -0.06 -1.35 -1.05 0.00 0.00 178.44 177.46 3hht h PRO 125 N 0.62 0.00 0.02 0.49 0.11 -1.81 0.78 132.00 132.21 3hht h PRO 125 Ca 0.50 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 66.22 3hht h PRO 125 Cb 0.76 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.81 3hht h PRO 125 CO -0.39 0.06 -2.41 -0.11 -0.21 0.00 0.00 178.00 174.94 3hht n LEU 126 N -3.48 2.89 -0.04 2.35 7.94 -0.49 -4.61 117.00 121.56 3hht n LEU 126 Ca -0.02 -0.07 0.01 0.00 -1.11 0.00 0.00 56.01 54.82 3hht n LEU 126 Cb 0.18 -0.94 -0.00 0.00 0.53 0.00 0.00 43.42 43.19 3hht n LEU 126 CO 0.27 0.91 0.12 0.18 -1.11 0.00 0.00 177.39 177.76 3hht n LEU 127 N -3.33 0.58 0.00 -1.96 4.77 -0.23 -1.39 117.00 115.44 3hht n LEU 127 Ca -0.44 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 3hht n LEU 127 Cb 0.99 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 3hht n LEU 127 CO 0.28 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3hht n GLY 128 N 0.66 -0.97 3.79 -0.72 0.00 0.26 -2.26 105.19 105.94 3hht n GLY 128 Ca 0.01 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 3hht n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hht s LEU 129 N 0.00 4.06 0.88 0.99 1.43 -1.26 -4.00 118.68 120.78 3hht s LEU 129 Ca 0.00 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 3hht s LEU 129 Cb 0.00 -4.30 0.12 0.00 0.03 0.00 0.00 46.19 42.04 3hht s LEU 129 CO 0.00 -0.53 1.09 -2.16 0.23 0.00 0.00 176.35 174.98 3hht s PRO 130 N -2.71 1.34 0.76 1.29 0.04 -1.26 -5.00 135.00 129.46 3hht s PRO 130 Ca 0.60 0.97 -0.15 0.00 0.04 0.00 0.00 61.00 62.46 3hht s PRO 130 Cb -0.19 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.59 3hht s PRO 130 CO 0.24 -2.22 1.21 -2.30 0.04 0.00 0.00 177.00 173.97 3hht n PRO 131 N -3.89 0.44 -0.11 0.56 -0.02 -1.26 -4.92 135.00 125.80 3hht n PRO 131 Ca 0.08 0.22 -0.06 0.00 -2.02 0.00 0.00 63.50 61.72 3hht n PRO 131 Cb 0.54 -2.45 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 3hht n PRO 131 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hht h SER 132 N -0.50 -0.70 0.78 2.55 4.64 -2.02 -2.50 113.55 115.79 3hht h SER 132 Ca -0.48 0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 3hht h SER 132 Cb 1.31 0.37 -0.01 0.00 -0.31 0.00 0.00 62.40 63.76 3hht h SER 132 CO 0.48 -0.24 -0.21 4.11 -0.87 0.00 0.00 176.83 180.10 3hht h TRP 133 N -0.14 0.00 0.00 4.77 5.08 -1.96 -2.96 115.95 120.73 3hht h TRP 133 Ca 0.19 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.11 3hht h TRP 133 Cb 0.43 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.59 3hht h TRP 133 CO -0.43 0.21 -0.21 -0.92 -1.28 0.00 0.00 178.44 175.82 3hht h TYR 134 N 0.00 0.00 -0.00 0.12 3.20 -1.81 -2.70 116.97 115.78 3hht h TYR 134 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hht h TYR 134 Cb 0.66 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3hht h TYR 134 CO 0.00 0.21 -0.54 1.63 -1.64 0.00 0.00 178.16 177.82 3hht n LYS 135 N -4.11 0.04 -3.66 1.82 5.02 -1.12 -4.65 118.16 111.50 3hht n LYS 135 Ca -0.02 -0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.01 3hht n LYS 135 Cb 0.28 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 3hht n LYS 135 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3hht s GLU 136 N -2.98 3.47 0.33 1.97 0.41 -1.02 -4.91 118.70 115.99 3hht s GLU 136 Ca 0.11 -0.49 0.03 0.00 -0.41 0.00 0.00 54.97 54.21 3hht s GLU 136 Cb 0.17 -2.78 0.59 0.00 -1.78 0.00 0.00 34.13 30.33 3hht s GLU 136 CO 0.71 0.30 1.90 -1.35 -0.49 0.00 0.00 175.26 176.33 3hht h PRO 137 N 1.16 0.64 0.24 0.39 0.11 -1.93 -3.05 132.00 129.56 3hht h PRO 137 Ca -0.50 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.50 3hht h PRO 137 Cb 1.22 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3hht h PRO 137 CO 0.63 0.58 -0.25 0.00 -0.21 0.00 0.00 178.00 178.74 3hht h ALA 138 N 1.50 -0.51 -0.10 -0.75 0.00 -1.95 0.13 119.26 117.58 3hht h ALA 138 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hht h ALA 138 Cb 0.22 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hht h ALA 138 CO -0.01 -0.82 0.05 -0.92 0.00 0.00 0.00 179.25 177.56 3hht h TYR 139 N -0.53 0.13 -0.82 0.00 3.20 -1.77 -2.16 116.97 115.02 3hht h TYR 139 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3hht h TYR 139 Cb 0.49 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3hht h TYR 139 CO -0.17 0.16 0.47 0.00 -1.64 0.00 0.00 178.16 176.97 3hht h ARG 140 N 0.07 1.13 -0.23 1.82 3.08 -1.41 -1.27 114.38 117.56 3hht h ARG 140 Ca 0.03 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 3hht h ARG 140 Cb 0.07 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 3hht h ARG 140 CO -0.01 0.82 -0.32 0.00 -1.07 0.00 0.00 179.97 179.40 3hht h ALA 141 N 1.25 0.35 0.03 0.04 0.00 -0.72 -3.38 119.26 116.83 3hht h ALA 141 Ca 0.29 -0.41 -0.30 0.00 0.00 0.00 0.00 54.91 54.49 3hht h ALA 141 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3hht h ALA 141 CO -0.05 0.39 -1.72 0.00 0.00 0.00 0.00 179.25 177.87 3hht h ARG 142 N 0.33 0.06 0.00 0.00 3.08 -1.24 -3.39 114.38 113.21 3hht h ARG 142 Ca 0.03 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3hht h ARG 142 Cb 0.89 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3hht h ARG 142 CO 0.07 0.66 -0.23 -0.24 -1.07 0.00 0.00 179.97 179.17 3hht h VAL 143 N 0.02 0.87 0.00 2.04 3.04 -1.41 0.36 116.25 121.17 3hht h VAL 143 Ca -0.30 -0.89 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 3hht h VAL 143 Cb 2.01 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.81 3hht h VAL 143 CO 0.09 0.23 0.00 -0.37 -1.01 0.00 0.00 177.57 176.50 3hht h VAL 144 N 0.00 0.00 0.00 1.51 -1.51 -1.79 -3.10 116.25 111.37 3hht h VAL 144 Ca -0.00 -0.75 -0.19 0.00 -1.23 0.00 0.00 66.70 64.52 3hht h VAL 144 Cb 0.51 1.74 -0.03 0.00 -2.13 0.00 0.00 31.29 31.38 3hht h VAL 144 CO 0.03 0.00 -1.73 1.17 -1.23 0.00 0.00 177.57 175.81 3hht n LYS 145 N -3.03 0.32 -3.01 5.19 4.81 -0.75 -4.78 118.16 116.91 3hht n LYS 145 Ca 0.03 0.08 -0.22 0.00 -0.87 0.00 0.00 58.31 57.33 3hht n LYS 145 Cb 0.42 -1.24 -0.03 0.00 0.02 0.00 0.00 35.03 34.21 3hht n LYS 145 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3hht n GLU 146 N -2.92 2.04 -0.14 1.64 0.28 0.04 -4.95 120.64 116.64 3hht n GLU 146 Ca -0.23 -4.04 0.12 0.00 -0.16 0.00 0.00 57.16 52.86 3hht n GLU 146 Cb 0.74 -1.92 0.47 0.00 1.43 0.00 0.00 31.44 32.15 3hht n GLU 146 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3hht h PRO 147 N 2.97 0.47 -0.55 3.44 0.13 -1.66 -1.15 132.00 135.64 3hht h PRO 147 Ca 0.11 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.14 3hht h PRO 147 Cb 0.79 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 3hht h PRO 147 CO 0.65 0.31 0.05 0.00 -0.23 0.00 0.00 178.00 178.78 3hht h ARG 148 N 0.48 0.91 -0.51 0.86 3.08 -1.92 0.69 114.38 117.98 3hht h ARG 148 Ca 0.33 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3hht h ARG 148 Cb 0.62 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3hht h ARG 148 CO -0.11 0.87 -0.19 1.96 -1.07 0.00 0.00 179.97 181.44 3hht h GLN 149 N 0.85 1.02 0.01 0.04 1.08 -1.63 -2.13 115.11 114.35 3hht h GLN 149 Ca 0.17 -0.42 -0.00 0.00 -1.45 0.00 0.00 58.65 56.95 3hht h GLN 149 Cb 0.44 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3hht h GLN 149 CO 0.02 1.10 -0.00 0.28 -0.95 0.00 0.00 178.83 179.28 3hht h VAL 150 N 0.88 1.10 -0.37 -0.54 2.07 -1.12 -3.04 116.25 115.24 3hht h VAL 150 Ca 0.12 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3hht h VAL 150 Cb 0.77 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3hht h VAL 150 CO 0.06 0.08 0.20 -0.07 0.02 0.00 0.00 177.57 177.86 3hht h LEU 151 N -0.14 0.44 -1.63 2.57 3.38 -0.81 -0.93 115.31 118.18 3hht h LEU 151 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hht h LEU 151 Cb 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hht h LEU 151 CO 0.00 0.36 0.19 0.11 0.09 0.00 0.00 178.44 179.20 3hht h LYS 152 N 0.51 0.44 0.00 1.13 1.57 -1.07 0.16 116.57 119.31 3hht h LYS 152 Ca 0.13 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3hht h LYS 152 Cb 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3hht h LYS 152 CO -0.02 0.31 0.00 0.93 -0.57 0.00 0.00 179.45 180.10 3hht h GLU 153 N 0.45 0.00 -0.13 3.15 5.08 -1.08 -0.91 114.58 121.14 3hht h GLU 153 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3hht h GLU 153 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3hht h GLU 153 CO -0.02 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.18 3hht n PHE 154 N -2.41 0.14 -0.63 4.33 3.72 -0.10 -4.96 117.46 117.55 3hht n PHE 154 Ca 0.01 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3hht n PHE 154 Cb 0.20 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 3hht n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hht n GLY 155 N 1.36 0.67 3.23 1.37 0.00 -0.35 -4.94 105.19 106.53 3hht n GLY 155 Ca 0.16 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3hht n GLY 155 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hht s LEU 156 N 0.00 4.46 -0.60 0.99 2.96 -0.36 -4.97 118.68 121.15 3hht s LEU 156 Ca 0.00 -1.33 -0.04 0.00 -0.22 0.00 0.00 54.13 52.54 3hht s LEU 156 Cb 0.00 -1.85 0.16 0.00 0.50 0.00 0.00 46.19 45.00 3hht s LEU 156 CO 0.00 -0.37 0.43 -0.62 -1.32 0.00 0.00 176.35 174.47 3hht s ASP 157 N 1.52 5.40 0.31 3.68 2.15 -1.26 -2.50 116.67 125.97 3hht s ASP 157 Ca -0.01 -2.67 -0.24 0.00 0.43 0.00 0.00 52.55 50.06 3hht s ASP 157 Cb -0.20 -1.89 -0.10 0.00 -0.30 0.00 0.00 42.92 40.43 3hht s ASP 157 CO 0.01 -0.43 0.90 -0.76 -0.17 0.00 0.00 175.17 174.72 3hht s LEU 158 N 0.20 4.31 0.77 -1.34 1.43 -1.26 -5.04 118.68 117.76 3hht s LEU 158 Ca 0.15 1.74 -0.13 0.00 -1.03 0.00 0.00 54.13 54.85 3hht s LEU 158 Cb -0.20 -3.96 0.06 0.00 0.03 0.00 0.00 46.19 42.12 3hht s LEU 158 CO -0.04 -0.07 1.17 -2.84 0.23 0.00 0.00 176.35 174.81 3hht s PRO 159 N -2.12 1.94 0.56 1.29 0.02 -1.26 -4.90 135.00 130.54 3hht s PRO 159 Ca 0.50 1.62 0.26 0.00 0.02 0.00 0.00 61.00 63.40 3hht s PRO 159 Cb -0.17 -1.82 1.64 0.00 0.02 0.00 0.00 34.50 34.16 3hht s PRO 159 CO 0.22 -1.95 2.20 -0.44 -0.33 0.00 0.00 177.00 176.70 3hht h ASP 160 N -0.71 0.00 1.30 2.53 3.32 -2.05 -2.04 116.42 118.77 3hht h ASP 160 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3hht h ASP 160 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3hht h ASP 160 CO 0.48 0.03 0.00 -1.54 -1.72 0.00 0.00 179.24 176.49 3hht n SER 161 N -3.96 0.75 -4.69 6.45 3.41 -1.26 -4.71 113.62 109.61 3hht n SER 161 Ca -0.03 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 3hht n SER 161 Cb 0.11 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.25 3hht n SER 161 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hht s VAL 162 N -3.14 4.83 0.25 -3.33 1.01 -0.77 -4.98 120.40 114.28 3hht s VAL 162 Ca 0.09 1.98 -0.30 0.00 0.00 0.00 0.00 61.98 63.75 3hht s VAL 162 Cb 0.12 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 3hht s VAL 162 CO 0.55 0.06 0.98 -1.61 0.00 0.00 0.00 175.10 175.07 3hht s GLU 163 N 1.72 4.80 -0.13 2.72 2.02 -0.07 -4.91 118.70 124.84 3hht s GLU 163 Ca 0.48 1.55 -0.02 0.00 0.02 0.00 0.00 54.97 57.00 3hht s GLU 163 Cb -0.19 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 3hht s GLU 163 CO 0.20 0.44 -0.07 0.42 0.02 0.00 0.00 175.26 176.27 3hht s ILE 164 N -1.19 3.59 -0.24 -1.63 1.01 -1.26 -0.70 121.20 120.79 3hht s ILE 164 Ca 0.42 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 3hht s ILE 164 Cb -0.27 -2.54 0.02 0.00 0.01 0.00 0.00 42.46 39.68 3hht s ILE 164 CO 0.34 0.52 -0.07 -0.13 0.00 0.00 0.00 174.94 175.60 3hht s ARG 165 N 0.18 2.99 -0.19 2.79 0.52 -0.05 -4.96 118.95 120.23 3hht s ARG 165 Ca -0.04 -0.87 -0.09 0.00 -0.52 0.00 0.00 55.73 54.21 3hht s ARG 165 Cb -0.14 -2.96 -0.05 0.00 0.52 0.00 0.00 34.95 32.32 3hht s ARG 165 CO 0.04 -0.33 0.12 0.08 0.02 0.00 0.00 175.30 175.22 3hht s VAL 166 N 1.36 5.32 -0.34 3.52 1.01 -1.26 -1.28 120.40 128.73 3hht s VAL 166 Ca 0.02 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 3hht s VAL 166 Cb -0.16 -3.41 0.05 0.00 0.00 0.00 0.00 36.38 32.86 3hht s VAL 166 CO -0.05 0.46 0.10 0.26 0.00 0.00 0.00 175.10 175.87 3hht s TRP 167 N 0.25 3.30 -0.26 5.22 0.52 0.22 -4.96 118.94 123.22 3hht s TRP 167 Ca 0.08 -1.64 -0.17 0.00 0.02 0.00 0.00 56.10 54.39 3hht s TRP 167 Cb -0.11 -2.40 -0.03 0.00 -1.15 0.00 0.00 33.47 29.78 3hht s TRP 167 CO -0.01 -0.78 0.49 0.34 0.02 0.00 0.00 176.95 177.01 3hht s ASP 168 N 1.48 6.41 -1.51 2.95 -1.08 -1.26 -1.32 116.67 122.34 3hht s ASP 168 Ca -0.01 0.49 -0.10 0.00 -0.52 0.00 0.00 52.55 52.41 3hht s ASP 168 Cb -0.20 -2.27 -0.00 0.00 -1.46 0.00 0.00 42.92 38.98 3hht s ASP 168 CO 0.01 -0.27 2.60 -1.20 0.52 0.00 0.00 175.17 176.83 3hht n SER 169 N 5.50 7.14 0.04 -0.34 7.64 -0.05 -4.69 113.62 128.86 3hht n SER 169 Ca -0.05 -2.77 0.13 0.00 1.01 0.00 0.00 58.87 57.19 3hht n SER 169 Cb 0.50 -1.55 0.48 0.00 -1.01 0.00 0.00 64.21 62.64 3hht n SER 169 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hht n SER 170 N 3.93 0.36 -1.25 6.43 3.41 -1.26 -4.85 113.62 120.39 3hht n SER 170 Ca 0.66 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 3hht n SER 170 Cb 0.28 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3hht n SER 170 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hht n SER 171 N -1.79 1.85 -0.02 4.04 3.41 -1.26 -5.02 113.62 114.82 3hht n SER 171 Ca 0.06 -0.63 0.14 0.00 -0.26 0.00 0.00 58.87 58.19 3hht n SER 171 Cb 0.38 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.01 3hht n SER 171 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hht n GLU 172 N -0.05 0.37 -1.93 4.33 -0.58 -1.26 -4.80 120.64 116.72 3hht n GLU 172 Ca 0.00 -0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.29 3hht n GLU 172 Cb 0.00 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.35 3hht n GLU 172 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3hht s ILE 173 N -2.66 2.43 0.23 -3.67 -1.09 -1.26 -4.64 121.20 110.54 3hht s ILE 173 Ca 0.25 0.37 0.11 0.00 -2.23 0.00 0.00 60.65 59.14 3hht s ILE 173 Cb 0.20 -3.23 -0.05 0.00 -1.58 0.00 0.00 42.46 37.80 3hht s ILE 173 CO 0.49 0.06 -0.15 -0.13 -1.23 0.00 0.00 174.94 173.98 3hht s ARG 174 N -0.53 1.85 -0.02 2.79 1.81 -0.34 -4.79 118.95 119.72 3hht s ARG 174 Ca 0.60 -1.51 0.04 0.00 -1.72 0.00 0.00 55.73 53.14 3hht s ARG 174 Cb -0.44 -1.96 -0.01 0.00 -0.45 0.00 0.00 34.95 32.09 3hht s ARG 174 CO 0.46 0.38 -0.12 -0.06 -0.68 0.00 0.00 175.30 175.28 3hht s PHE 175 N -2.05 1.17 -0.07 -0.53 0.40 -1.26 -0.30 117.98 115.33 3hht s PHE 175 Ca 0.27 -0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.37 3hht s PHE 175 Cb -0.07 -0.77 0.01 0.00 0.51 0.00 0.00 43.02 42.69 3hht s PHE 175 CO 0.15 -0.05 -0.16 1.41 0.70 0.00 0.00 175.22 177.26 3hht s MET 176 N -0.15 2.05 0.05 0.44 1.75 -0.09 -4.82 119.30 118.53 3hht s MET 176 Ca 0.02 -0.57 -0.26 0.00 -1.25 0.00 0.00 55.69 53.63 3hht s MET 176 Cb -0.06 -1.65 -0.05 0.00 2.84 0.00 0.00 34.83 35.90 3hht s MET 176 CO 0.00 0.11 0.83 0.08 -0.65 0.00 0.00 175.02 175.38 3hht s VAL 177 N 0.46 4.70 -0.51 10.11 1.01 -0.34 -1.30 120.40 134.54 3hht s VAL 177 Ca -0.14 1.76 -0.17 0.00 0.00 0.00 0.00 61.98 63.44 3hht s VAL 177 Cb -0.16 -4.18 0.09 0.00 0.00 0.00 0.00 36.38 32.13 3hht s VAL 177 CO 0.05 0.33 0.50 -0.22 0.00 0.00 0.00 175.10 175.76 3hht s LEU 178 N 0.10 5.61 0.66 3.92 2.96 0.01 -4.30 118.68 127.64 3hht s LEU 178 Ca 0.42 -1.38 -0.11 0.00 -0.22 0.00 0.00 54.13 52.84 3hht s LEU 178 Cb -0.21 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 3hht s LEU 178 CO 0.25 -0.80 1.05 -2.16 -1.32 0.00 0.00 176.35 173.37 3hht s PRO 179 N 1.94 3.26 0.40 0.98 0.04 -1.26 -1.44 135.00 138.91 3hht s PRO 179 Ca 0.07 0.83 -0.24 0.00 0.04 0.00 0.00 61.00 61.70 3hht s PRO 179 Cb -0.25 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 3hht s PRO 179 CO 0.07 -0.84 1.03 -0.65 0.04 0.00 0.00 177.00 176.65 3hht s GLN 180 N -5.12 4.18 0.18 4.56 -0.21 -1.26 -4.90 119.66 117.08 3hht s GLN 180 Ca 0.57 1.44 -0.31 0.00 0.02 0.00 0.00 55.36 57.08 3hht s GLN 180 Cb -0.12 -2.49 -0.09 0.00 1.00 0.00 0.00 33.01 31.31 3hht s GLN 180 CO 0.54 -0.12 1.38 0.50 -2.12 0.00 0.00 175.29 175.47 3hht s ARG 181 N -2.59 4.33 0.76 2.91 3.52 -1.26 -4.63 118.95 122.00 3hht s ARG 181 Ca 0.58 2.13 -0.12 0.00 -0.13 0.00 0.00 55.73 58.19 3hht s ARG 181 Cb -0.20 -3.19 0.05 0.00 -1.56 0.00 0.00 34.95 30.05 3hht s ARG 181 CO 0.25 -0.37 1.14 -1.25 -0.81 0.00 0.00 175.30 174.26 3hht s PRO 182 N 0.31 2.39 0.93 5.12 0.04 -1.26 -5.06 135.00 137.47 3hht s PRO 182 Ca 0.61 0.30 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 3hht s PRO 182 Cb -0.38 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.33 3hht s PRO 182 CO 0.36 -1.34 1.10 -1.21 0.04 0.00 0.00 177.00 175.96 3hht s GLU 183 N -5.45 0.94 0.00 4.56 0.41 -1.26 -4.15 118.70 113.75 3hht s GLU 183 Ca 0.60 1.22 0.00 0.00 -0.41 0.00 0.00 54.97 56.38 3hht s GLU 183 Cb -0.11 -1.74 0.00 0.00 -1.78 0.00 0.00 34.13 30.50 3hht s GLU 183 CO 0.51 -2.58 0.00 0.41 -0.49 0.00 0.00 175.26 173.11 3hht n GLY 184 N -0.19 0.65 0.47 -1.39 0.00 -1.26 -4.26 105.19 99.21 3hht n GLY 184 Ca 0.09 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.12 3hht n GLY 184 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hht n THR 185 N -2.68 1.34 -1.62 2.61 -2.24 -1.26 -4.61 114.28 105.82 3hht n THR 185 Ca 0.00 -1.30 -0.50 0.00 -2.27 0.00 0.00 64.05 59.98 3hht n THR 185 Cb 0.00 0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 3hht n THR 185 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hht n GLU 186 N -0.14 1.49 -0.86 -0.78 4.71 -1.26 -2.00 120.64 121.81 3hht n GLU 186 Ca 0.11 0.54 0.00 0.00 -0.01 0.00 0.00 57.16 57.80 3hht n GLU 186 Cb 0.49 -2.23 0.00 0.00 -1.01 0.00 0.00 31.44 28.70 3hht n GLU 186 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hht n GLY 187 N 2.87 1.25 3.77 0.62 0.00 -1.26 -5.01 105.19 107.43 3hht n GLY 187 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3hht n GLY 187 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hht s MET 188 N -0.01 4.20 0.81 1.61 -1.94 -0.84 -5.02 119.30 118.10 3hht s MET 188 Ca 0.00 1.73 -0.12 0.00 -1.71 0.00 0.00 55.69 55.59 3hht s MET 188 Cb 0.00 -2.74 0.08 0.00 2.01 0.00 0.00 34.83 34.18 3hht s MET 188 CO 0.00 -0.16 1.12 0.95 -0.01 0.00 0.00 175.02 176.92 3hht s THR 189 N -1.44 2.71 0.24 2.05 -4.23 -1.26 -4.84 115.64 108.87 3hht s THR 189 Ca 0.55 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 61.24 3hht s THR 189 Cb -0.28 -3.08 0.21 0.00 1.34 0.00 0.00 72.50 70.69 3hht s THR 189 CO 0.36 -0.30 1.84 -0.08 -0.54 0.00 0.00 174.62 175.89 3hht h GLU 190 N -1.08 0.89 -0.47 3.99 4.81 -1.95 0.21 114.58 120.97 3hht h GLU 190 Ca -0.47 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.58 3hht h GLU 190 Cb 1.29 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3hht h GLU 190 CO 0.62 0.59 -0.21 0.93 -0.73 0.00 0.00 179.01 180.21 3hht h GLU 191 N 0.91 0.96 -0.57 1.92 3.07 -1.95 -0.92 114.58 118.00 3hht h GLU 191 Ca 0.38 -0.40 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 3hht h GLU 191 Cb 0.23 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 3hht h GLU 191 CO -0.19 1.06 -0.01 0.93 -1.40 0.00 0.00 179.01 179.40 3hht h GLU 192 N 0.83 1.01 -0.71 2.33 5.08 -1.80 -2.91 114.58 118.41 3hht h GLU 192 Ca 0.11 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 3hht h GLU 192 Cb 0.77 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3hht h GLU 192 CO 0.06 1.01 0.25 -0.07 -1.00 0.00 0.00 179.01 179.26 3hht h LEU 193 N 0.90 1.01 -1.32 1.33 3.38 -0.65 -2.63 115.31 117.33 3hht h LEU 193 Ca 0.16 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3hht h LEU 193 Cb 0.55 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3hht h LEU 193 CO 0.03 0.92 0.52 0.00 0.09 0.00 0.00 178.44 180.00 3hht h ALA 194 N 1.22 1.72 0.00 1.53 0.00 -0.98 -0.72 119.26 122.02 3hht h ALA 194 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hht h ALA 194 Cb 0.26 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hht h ALA 194 CO -0.01 0.13 -0.00 0.87 0.00 0.00 0.00 179.25 180.23 3hht h LYS 195 N 0.77 0.00 0.00 0.00 1.57 -1.36 -2.29 116.57 115.27 3hht h LYS 195 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3hht h LYS 195 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hht h LYS 195 CO -0.14 0.00 -0.25 -0.07 -0.57 0.00 0.00 179.45 178.43 3hht h LEU 196 N 0.00 0.00 -8.77 2.94 3.38 -1.18 -3.45 115.31 108.22 3hht h LEU 196 Ca -0.00 -0.04 -0.58 0.00 0.09 0.00 0.00 57.88 57.35 3hht h LEU 196 Cb 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 3hht h LEU 196 CO 0.00 0.02 0.77 -0.69 0.09 0.00 0.00 178.44 178.63 3hht s VAL 197 N -3.19 4.39 0.37 1.22 1.01 -0.86 -4.90 120.40 118.45 3hht s VAL 197 Ca 0.07 1.20 -0.13 0.00 0.00 0.00 0.00 61.98 63.12 3hht s VAL 197 Cb 0.10 -4.48 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 3hht s VAL 197 CO 0.67 -0.78 0.78 0.42 0.00 0.00 0.00 175.10 176.18 3hht s THR 198 N 3.96 4.70 0.23 3.92 -4.23 -1.26 -4.84 115.64 118.12 3hht s THR 198 Ca 0.43 0.85 -0.06 0.00 -1.18 0.00 0.00 61.69 61.73 3hht s THR 198 Cb -0.10 -3.67 0.18 0.00 1.34 0.00 0.00 72.50 70.26 3hht s THR 198 CO 0.25 -0.37 1.78 -0.09 -0.54 0.00 0.00 174.62 175.65 3hht h ARG 199 N 1.73 0.60 -0.23 3.99 2.43 -1.95 -2.38 114.38 118.57 3hht h ARG 199 Ca -0.48 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.60 3hht h ARG 199 Cb 1.18 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3hht h ARG 199 CO 0.64 0.40 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.95 3hht h ASP 200 N 0.62 0.36 0.36 -3.80 3.45 -1.94 -1.55 116.42 113.93 3hht h ASP 200 Ca 0.36 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.71 3hht h ASP 200 Cb 0.39 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 3hht h ASP 200 CO -0.28 0.51 -0.15 0.77 -1.57 0.00 0.00 179.24 178.53 3hht h SER 201 N 0.36 0.00 0.42 6.45 4.64 -1.56 -1.98 113.55 121.87 3hht h SER 201 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hht h SER 201 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3hht h SER 201 CO 0.02 0.15 -0.16 0.23 -0.87 0.00 0.00 176.83 176.21 3hht n MET 202 N -3.76 0.57 -0.04 4.77 2.81 -0.59 -3.16 117.12 117.72 3hht n MET 202 Ca -0.02 -0.22 0.02 0.00 -1.81 0.00 0.00 57.70 55.67 3hht n MET 202 Cb 0.26 -1.50 -0.16 0.00 -0.71 0.00 0.00 33.22 31.12 3hht n MET 202 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3hht n ILE 203 N -1.02 0.62 -0.16 2.02 5.41 -0.94 -1.20 119.36 124.09 3hht n ILE 203 Ca 0.13 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.23 3hht n ILE 203 Cb 0.30 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 39.00 3hht n ILE 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hht n GLY 204 N 1.45 0.92 0.56 7.39 0.00 -0.79 -1.36 105.19 113.36 3hht n GLY 204 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 3hht n GLY 204 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hht n VAL 205 N -2.16 0.05 -3.71 1.61 0.24 -1.00 -4.70 118.33 108.66 3hht n VAL 205 Ca 0.00 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 61.86 3hht n VAL 205 Cb 0.00 0.60 -0.09 0.00 -1.47 0.00 0.00 33.84 32.88 3hht n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hht s ALA 206 N -1.95 -1.04 0.69 2.33 0.00 -1.24 -4.69 121.76 115.87 3hht s ALA 206 Ca 0.36 0.84 -0.08 0.00 0.00 0.00 0.00 51.96 53.08 3hht s ALA 206 Cb 0.20 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.10 3hht s ALA 206 CO 0.32 -0.25 1.02 0.15 0.00 0.00 0.00 175.76 177.00 3hht s LYS 207 N -0.64 2.43 -0.16 0.00 1.02 -1.26 -4.03 119.74 117.09 3hht s LYS 207 Ca -0.07 -0.04 -0.18 0.00 0.02 0.00 0.00 55.97 55.69 3hht s LYS 207 Cb -0.04 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 3hht s LYS 207 CO 0.03 -1.13 0.49 0.42 -0.92 0.00 0.00 175.35 174.24 3hht s ILE 208 N -3.25 5.15 0.41 2.17 1.01 -1.26 -4.87 121.20 120.56 3hht s ILE 208 Ca 0.59 0.93 -0.24 0.00 0.00 0.00 0.00 60.65 61.93 3hht s ILE 208 Cb -0.11 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 3hht s ILE 208 CO 0.46 0.25 1.07 -1.61 0.00 0.00 0.00 174.94 175.12 3hht s GLU 209 N 1.13 4.07 0.44 2.79 0.41 -1.26 -4.61 118.70 121.67 3hht s GLU 209 Ca 0.25 1.56 -0.25 0.00 -0.41 0.00 0.00 54.97 56.12 3hht s GLU 209 Cb -0.15 -2.50 -0.09 0.00 -1.78 0.00 0.00 34.13 29.60 3hht s GLU 209 CO 0.10 -0.23 1.29 -2.30 -0.49 0.00 0.00 175.26 173.63 3hht n PRO 210 N -0.18 1.94 0.00 0.39 -0.02 -1.26 -4.89 135.00 130.98 3hht n PRO 210 Ca 0.06 0.69 0.05 0.00 -2.02 0.00 0.00 63.50 62.27 3hht n PRO 210 Cb 0.49 -2.43 0.27 0.00 -0.02 0.00 0.00 33.50 31.82 3hht n PRO 210 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13