#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hta s VAL -5 N 0.00 3.96 0.44 4.08 1.01 -1.26 -5.08 120.40 123.55 3hta s VAL -5 Ca 0.00 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 3hta s VAL -5 Cb 0.00 -3.23 -0.12 0.00 0.00 0.00 0.00 36.38 33.03 3hta s VAL -5 CO 0.00 -0.19 0.56 -2.65 0.00 0.00 0.00 175.10 172.82 3hta n PRO -4 N 4.85 0.59 -2.01 2.72 -0.02 -1.26 -4.90 135.00 134.98 3hta n PRO -4 Ca -0.12 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 3hta n PRO -4 Cb 0.45 -1.54 0.03 0.00 -0.02 0.00 0.00 33.50 32.42 3hta n PRO -4 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hta s ARG -3 N -1.64 3.03 0.00 -0.52 1.81 -1.26 -2.40 118.95 117.97 3hta s ARG -3 Ca 0.64 1.85 0.00 0.00 -1.72 0.00 0.00 55.73 56.50 3hta s ARG -3 Cb -0.58 -1.98 0.00 0.00 -0.45 0.00 0.00 34.95 31.94 3hta s ARG -3 CO 0.58 -1.17 0.00 0.41 -0.68 0.00 0.00 175.30 174.44 3hta n GLY -2 N 0.52 2.51 0.29 -3.53 0.00 -1.22 -4.92 105.19 98.85 3hta n GLY -2 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3hta n GLY -2 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hta h SER -1 N 0.00 -0.78 0.00 1.61 0.02 -1.82 -3.35 113.55 109.23 3hta h SER -1 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3hta h SER -1 Cb 0.00 0.32 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3hta h SER -1 CO 0.00 -0.33 -0.18 1.41 -1.14 0.00 0.00 176.83 176.58 3hta n HIS 0 N -5.38 0.00 -3.66 3.45 8.25 -1.26 -5.08 115.22 111.54 3hta n HIS 0 Ca -0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.33 3hta n HIS 0 Cb 0.29 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 3hta n HIS 0 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hta s MET 1 N -1.34 1.42 0.64 -0.41 0.00 -1.26 -5.14 119.30 113.21 3hta s MET 1 Ca 0.01 -0.69 -0.18 0.00 0.00 0.00 0.00 55.69 54.83 3hta s MET 1 Cb 0.03 0.54 -0.02 0.00 0.00 0.00 0.00 34.83 35.38 3hta s MET 1 CO 0.14 -0.64 1.15 -2.30 0.00 0.00 0.00 175.02 173.37 3hta n PRO 2 N -0.41 0.96 -0.38 3.16 -0.02 -1.26 -3.46 135.00 133.59 3hta n PRO 2 Ca -0.09 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.76 3hta n PRO 2 Cb 0.62 -2.38 0.12 0.00 -0.02 0.00 0.00 33.50 31.84 3hta n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hta h ARG 3 N 0.40 1.30 0.00 -0.52 3.08 -1.94 -1.71 114.38 114.99 3hta h ARG 3 Ca -0.50 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.47 3hta h ARG 3 Cb 1.35 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3hta h ARG 3 CO 0.51 0.86 0.00 0.07 -1.07 0.00 0.00 179.97 180.34 3hta h ARG 4 N 1.34 0.00 0.00 0.04 0.11 -2.01 -2.63 114.38 111.23 3hta h ARG 4 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 3hta h ARG 4 Cb -0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.97 3hta h ARG 4 CO -0.10 0.00 -1.14 0.72 0.10 0.00 0.00 179.97 179.56 3hta n HIS 5 N -2.92 0.02 -1.77 4.08 8.25 -0.67 -4.82 115.22 117.40 3hta n HIS 5 Ca -0.01 0.01 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 3hta n HIS 5 Cb 0.17 -0.14 0.15 0.00 1.12 0.00 0.00 29.99 31.30 3hta n HIS 5 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3hta s ASP 6 N -3.34 3.38 0.01 0.41 1.47 -0.99 -4.94 116.67 112.67 3hta s ASP 6 Ca 0.05 0.58 0.14 0.00 1.18 0.00 0.00 52.55 54.50 3hta s ASP 6 Cb 0.16 -0.86 0.61 0.00 -0.34 0.00 0.00 42.92 42.48 3hta s ASP 6 CO 0.86 -2.59 1.45 -0.81 0.68 0.00 0.00 175.17 174.76 3hta n PRO 7 N -3.73 0.01 0.05 2.11 -0.04 -1.26 -2.62 135.00 129.51 3hta n PRO 7 Ca 0.11 0.27 -0.07 0.00 -0.04 0.00 0.00 63.50 63.77 3hta n PRO 7 Cb 0.60 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 3hta n PRO 7 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3hta h GLU 8 N 0.00 0.00 -0.06 0.54 4.39 -1.93 -1.69 114.58 115.83 3hta h GLU 8 Ca 0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 3hta h GLU 8 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3hta h GLU 8 CO 0.00 0.86 -0.77 -0.09 -1.16 0.00 0.00 179.01 177.85 3hta h ARG 9 N 0.00 0.37 -0.70 2.33 9.65 -1.69 -1.66 114.38 122.69 3hta h ARG 9 Ca -0.07 -0.32 -0.03 0.00 -1.10 0.00 0.00 59.98 58.46 3hta h ARG 9 Cb 1.81 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 30.43 3hta h ARG 9 CO 0.12 0.97 0.33 -0.09 2.80 0.00 0.00 179.97 184.10 3hta h ARG 10 N 0.24 1.01 -0.28 0.20 2.43 -1.48 -2.31 114.38 114.18 3hta h ARG 10 Ca -0.04 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 3hta h ARG 10 Cb 1.35 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3hta h ARG 10 CO 0.13 0.80 -0.33 0.37 -1.51 0.00 0.00 179.97 179.42 3hta h GLN 11 N 0.97 0.61 0.00 0.20 5.75 -1.09 -2.52 115.11 119.03 3hta h GLN 11 Ca 0.24 -0.28 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 3hta h GLN 11 Cb 0.12 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 3hta h GLN 11 CO -0.03 0.86 -0.18 -0.09 -2.65 0.00 0.00 178.83 176.73 3hta h ARG 12 N 0.51 0.00 0.13 1.69 2.43 -0.88 -1.50 114.38 116.78 3hta h ARG 12 Ca 0.06 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.94 3hta h ARG 12 Cb 0.82 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3hta h ARG 12 CO 0.07 0.18 -1.25 0.82 -1.51 0.00 0.00 179.97 178.28 3hta h ILE 13 N 0.00 1.36 -0.28 1.20 2.04 -1.10 -2.82 117.51 117.91 3hta h ILE 13 Ca -0.00 -2.69 -0.08 0.00 1.00 0.00 0.00 64.86 63.10 3hta h ILE 13 Cb 0.34 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 3hta h ILE 13 CO 0.02 0.80 -0.12 0.40 0.00 0.00 0.00 178.15 179.26 3hta h ILE 14 N 0.18 1.29 -0.93 -0.67 2.04 -1.13 -1.36 117.51 116.93 3hta h ILE 14 Ca -0.17 -1.19 0.07 0.00 1.00 0.00 0.00 64.86 64.56 3hta h ILE 14 Cb 1.94 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 39.43 3hta h ILE 14 CO 0.23 0.38 0.58 0.44 0.00 0.00 0.00 178.15 179.78 3hta h ASP 15 N 0.32 0.92 0.08 1.72 3.45 -1.36 -0.55 116.42 121.01 3hta h ASP 15 Ca 0.07 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.43 3hta h ASP 15 Cb 0.62 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 3hta h ASP 15 CO 0.04 0.59 -0.38 0.00 -1.57 0.00 0.00 179.24 177.91 3hta h ALA 16 N 1.43 1.01 -0.59 3.45 0.00 -1.35 -1.13 119.26 122.07 3hta h ALA 16 Ca 0.40 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hta h ALA 16 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hta h ALA 16 CO -0.18 0.61 0.11 0.00 0.00 0.00 0.00 179.25 179.78 3hta h ALA 17 N 1.26 0.79 -0.46 0.00 0.00 -0.00 -0.22 119.26 120.62 3hta h ALA 17 Ca 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3hta h ALA 17 Cb 0.83 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hta h ALA 17 CO 0.07 0.53 0.13 0.82 0.00 0.00 0.00 179.25 180.80 3hta h ILE 18 N 0.88 1.23 -0.57 0.00 1.08 -0.89 -0.90 117.51 118.34 3hta h ILE 18 Ca 0.18 -0.79 -0.00 0.00 -0.39 0.00 0.00 64.86 63.86 3hta h ILE 18 Cb 0.41 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 3hta h ILE 18 CO 0.01 0.28 0.34 0.03 -0.69 0.00 0.00 178.15 178.13 3hta h ARG 19 N 0.61 0.78 -0.53 2.37 3.08 -0.86 -1.73 114.38 118.10 3hta h ARG 19 Ca 0.15 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3hta h ARG 19 Cb 0.30 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3hta h ARG 19 CO -0.00 0.56 0.14 0.28 -1.07 0.00 0.00 179.97 179.88 3hta h VAL 20 N 0.77 1.24 -0.78 2.04 2.07 -0.83 -2.18 116.25 118.58 3hta h VAL 20 Ca 0.21 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3hta h VAL 20 Cb -0.01 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3hta h VAL 20 CO -0.04 0.31 0.39 0.58 0.02 0.00 0.00 177.57 178.82 3hta h VAL 21 N 0.74 1.24 -0.62 2.57 2.07 -0.92 0.22 116.25 121.55 3hta h VAL 21 Ca 0.17 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 3hta h VAL 21 Cb 0.32 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3hta h VAL 21 CO -0.00 0.29 0.13 1.23 0.02 0.00 0.00 177.57 179.23 3hta h GLY 22 N 1.14 1.09 1.33 2.17 0.00 -1.09 0.25 103.07 107.97 3hta h GLY 22 Ca 0.27 -0.71 -0.27 0.00 0.00 0.00 0.00 47.33 46.62 3hta h GLY 22 CO -0.04 0.66 -1.46 1.46 0.00 0.00 0.00 176.54 177.16 3hta h GLN 23 N 0.93 0.06 0.00 4.80 4.20 -1.08 -3.40 115.11 120.62 3hta h GLN 23 Ca 0.19 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hta h GLN 23 Cb 0.39 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3hta h GLN 23 CO 0.01 0.81 0.00 1.63 -0.67 0.00 0.00 178.83 180.60 3hta n LYS 24 N -3.24 0.42 -0.31 1.46 5.02 0.75 -5.10 118.16 117.17 3hta n LYS 24 Ca -0.12 -0.41 0.04 0.00 -2.02 0.00 0.00 58.31 55.80 3hta n LYS 24 Cb 1.02 -0.91 -0.02 0.00 -0.02 0.00 0.00 35.03 35.10 3hta n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hta n GLY 25 N 0.18 -2.74 0.49 0.72 0.00 0.87 -3.40 105.19 101.30 3hta n GLY 25 Ca 0.00 -1.37 0.31 0.00 0.00 0.00 0.00 46.02 44.97 3hta n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hta h ILE 26 N -0.31 0.44 -0.53 -0.61 6.09 -1.90 -0.59 117.51 120.11 3hta h ILE 26 Ca -0.04 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.40 3hta h ILE 26 Cb 0.30 0.47 -0.02 0.00 0.47 0.00 0.00 36.82 38.03 3hta h ILE 26 CO 0.02 0.00 0.14 0.00 -3.07 0.00 0.00 178.15 175.24 3hta h ALA 27 N 1.44 1.26 -0.49 0.18 0.00 -1.95 -2.72 119.26 116.97 3hta h ALA 27 Ca 0.48 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 3hta h ALA 27 Cb 1.97 -0.21 -0.12 0.00 0.00 0.00 0.00 17.79 19.43 3hta h ALA 27 CO -0.01 0.52 0.25 0.41 0.00 0.00 0.00 179.25 180.43 3hta n GLY 28 N -0.91 3.07 3.49 0.00 0.00 -0.23 -4.87 105.19 105.74 3hta n GLY 28 Ca 0.04 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 3hta n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hta s LEU 29 N -1.80 4.14 0.30 0.99 1.98 -1.03 -4.80 118.68 118.46 3hta s LEU 29 Ca 0.33 -0.38 -0.13 0.00 -2.89 0.00 0.00 54.13 51.05 3hta s LEU 29 Cb 0.27 -2.05 0.02 0.00 0.66 0.00 0.00 46.19 45.08 3hta s LEU 29 CO 0.07 -0.17 0.60 -0.94 -1.89 0.00 0.00 176.35 174.02 3hta s SER 30 N 1.67 0.09 0.26 3.68 1.04 -1.26 -5.02 113.70 114.16 3hta s SER 30 Ca 0.06 -1.02 -0.03 0.00 0.48 0.00 0.00 55.95 55.44 3hta s SER 30 Cb -0.17 0.69 0.34 0.00 0.10 0.00 0.00 66.02 66.98 3hta s SER 30 CO 0.08 -1.34 1.83 0.45 0.98 0.00 0.00 173.24 175.25 3hta h HIS 31 N 2.12 0.99 -0.29 5.02 3.86 -1.98 -1.76 115.15 123.10 3hta h HIS 31 Ca -0.26 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 58.86 3hta h HIS 31 Cb 1.25 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 3hta h HIS 31 CO 0.83 0.77 0.13 0.00 0.86 0.00 0.00 177.93 180.52 3hta h ARG 32 N 0.95 0.43 0.00 2.45 3.08 -1.95 0.10 114.38 119.43 3hta h ARG 32 Ca 0.22 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 3hta h ARG 32 Cb 0.21 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3hta h ARG 32 CO -0.02 0.42 -0.34 1.79 -1.07 0.00 0.00 179.97 180.76 3hta h THR 33 N 0.33 0.70 0.12 2.04 1.35 -1.84 -2.20 112.91 113.41 3hta h THR 33 Ca 0.10 -1.57 -0.28 0.00 -0.55 0.00 0.00 66.41 64.11 3hta h THR 33 Cb 0.14 2.03 0.01 0.00 -1.73 0.00 0.00 68.15 68.61 3hta h THR 33 CO -0.01 0.33 -1.22 0.58 -0.25 0.00 0.00 175.52 174.95 3hta h VAL 34 N 0.00 1.40 -0.28 6.82 2.07 -1.13 -1.58 116.25 123.55 3hta h VAL 34 Ca -0.00 -2.76 -0.09 0.00 0.82 0.00 0.00 66.70 64.67 3hta h VAL 34 Cb 1.01 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.56 3hta h VAL 34 CO 0.04 0.82 -0.19 0.00 0.02 0.00 0.00 177.57 178.26 3hta h ALA 35 N 0.50 1.14 -0.09 1.67 0.00 -0.73 -0.06 119.26 121.68 3hta h ALA 35 Ca -0.15 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 3hta h ALA 35 Cb 1.91 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 3hta h ALA 35 CO 0.21 0.54 -0.14 0.00 0.00 0.00 0.00 179.25 179.86 3hta h ALA 36 N 1.33 0.14 0.00 0.00 0.00 -1.36 0.14 119.26 119.51 3hta h ALA 36 Ca 0.08 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3hta h ALA 36 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hta h ALA 36 CO 0.04 0.03 -0.33 1.49 0.00 0.00 0.00 179.25 180.48 3hta h GLU 37 N -0.19 0.00 -0.01 0.00 4.57 -1.17 -2.39 114.58 115.39 3hta h GLU 37 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3hta h GLU 37 Cb 0.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 3hta h GLU 37 CO 0.03 0.33 -0.21 0.00 -1.18 0.00 0.00 179.01 177.98 3hta n ALA 38 N -2.36 2.98 -3.81 2.92 0.00 -0.05 -4.92 120.51 115.28 3hta n ALA 38 Ca -0.01 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.66 3hta n ALA 38 Cb 0.41 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.81 3hta n ALA 38 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hta n ASP 39 N -0.23 -3.28 -4.12 0.00 2.03 -0.40 -4.98 116.55 105.57 3hta n ASP 39 Ca 0.14 -1.03 -0.12 0.00 0.52 0.00 0.00 54.79 54.30 3hta n ASP 39 Cb 0.38 -3.18 -0.11 0.00 -0.72 0.00 0.00 41.12 37.50 3hta n ASP 39 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3hta s VAL 40 N -3.65 0.61 0.91 5.18 0.11 -0.10 -5.04 120.40 118.41 3hta s VAL 40 Ca 0.29 -1.54 -0.11 0.00 -2.93 0.00 0.00 61.98 57.69 3hta s VAL 40 Cb -0.11 -1.19 0.14 0.00 -1.53 0.00 0.00 36.38 33.69 3hta s VAL 40 CO 0.88 -0.66 1.11 -2.84 -3.33 0.00 0.00 175.10 170.26 3hta s PRO 41 N -2.81 1.07 0.20 1.54 0.02 -1.26 -4.49 135.00 129.26 3hta s PRO 41 Ca 0.02 1.27 -0.06 0.00 0.02 0.00 0.00 61.00 62.24 3hta s PRO 41 Cb -0.02 -1.75 0.13 0.00 0.02 0.00 0.00 34.50 32.88 3hta s PRO 41 CO -0.03 -2.50 1.61 1.25 -0.33 0.00 0.00 177.00 177.00 3hta h LEU 42 N -1.76 0.86 -2.46 -5.54 5.85 -1.92 -2.64 115.31 107.69 3hta h LEU 42 Ca -0.47 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 57.93 3hta h LEU 42 Cb 1.27 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3hta h LEU 42 CO 0.47 1.05 -0.03 1.23 -0.34 0.00 0.00 178.44 180.82 3hta h GLY 43 N 0.94 0.00 0.39 3.75 0.00 -1.97 -2.01 103.07 104.17 3hta h GLY 43 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3hta h GLY 43 CO 0.06 0.00 -0.07 0.23 0.00 0.00 0.00 176.54 176.76 3hta h SER 44 N 0.00 -0.18 -0.94 0.19 0.87 -1.83 0.83 113.55 112.49 3hta h SER 44 Ca -0.00 -0.36 0.15 0.00 -1.23 0.00 0.00 61.79 60.35 3hta h SER 44 Cb 0.09 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.02 3hta h SER 44 CO 0.00 0.37 0.60 0.71 -0.53 0.00 0.00 176.83 177.98 3hta h THR 45 N -0.82 0.82 -0.03 2.23 1.35 -1.46 0.14 112.91 115.14 3hta h THR 45 Ca -0.02 -0.26 -0.12 0.00 -0.55 0.00 0.00 66.41 65.46 3hta h THR 45 Cb 0.53 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.94 3hta h THR 45 CO 0.04 0.14 -0.54 0.74 -0.25 0.00 0.00 175.52 175.64 3hta h THR 46 N 0.75 1.38 -0.69 6.82 2.02 -1.20 -0.70 112.91 121.30 3hta h THR 46 Ca 0.48 -1.85 -0.05 0.00 0.77 0.00 0.00 66.41 65.76 3hta h THR 46 Cb 0.74 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 69.09 3hta h THR 46 CO -0.25 0.53 0.24 0.22 0.37 0.00 0.00 175.52 176.64 3hta h TYR 47 N 0.06 1.09 0.00 3.16 3.20 0.36 -3.27 116.97 121.56 3hta h TYR 47 Ca -0.00 -0.10 -0.21 0.00 3.14 0.00 0.00 58.73 61.56 3hta h TYR 47 Cb 0.98 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 3hta h TYR 47 CO 0.01 0.86 -1.50 0.72 -1.64 0.00 0.00 178.16 176.60 3hta n HIS 48 N -4.34 1.00 -3.66 -3.82 8.25 -1.00 -4.73 115.22 106.92 3hta n HIS 48 Ca 0.05 0.34 -0.29 0.00 -0.26 0.00 0.00 57.72 57.56 3hta n HIS 48 Cb 0.20 -1.13 -0.14 0.00 1.12 0.00 0.00 29.99 30.05 3hta n HIS 48 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hta s PHE 49 N -2.82 1.57 0.43 4.41 0.40 -0.28 -5.00 117.98 116.69 3hta s PHE 49 Ca -0.03 -1.96 0.13 0.00 -0.60 0.00 0.00 56.93 54.46 3hta s PHE 49 Cb 0.08 -1.60 1.00 0.00 0.51 0.00 0.00 43.02 43.02 3hta s PHE 49 CO 0.82 -0.83 2.00 0.00 0.70 0.00 0.00 175.22 177.91 3hta h ALA 50 N 7.33 1.96 -2.10 5.36 0.00 -1.82 -3.39 119.26 126.59 3hta h ALA 50 Ca -0.05 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.40 3hta h ALA 50 Cb 0.97 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.52 3hta h ALA 50 CO 0.43 -0.07 -0.64 0.95 0.00 0.00 0.00 179.25 179.93 3hta s THR 51 N -5.40 1.22 0.34 0.00 -4.23 -1.26 -5.03 115.64 101.29 3hta s THR 51 Ca -0.08 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 58.44 3hta s THR 51 Cb 0.19 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.64 3hta s THR 51 CO 0.74 -0.16 1.91 0.25 -0.54 0.00 0.00 174.62 176.82 3hta h LEU 52 N 2.27 0.54 -0.51 4.79 6.46 -2.01 -2.80 115.31 124.05 3hta h LEU 52 Ca -0.40 -0.08 0.04 0.00 -0.12 0.00 0.00 57.88 57.33 3hta h LEU 52 Cb 1.24 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.98 3hta h LEU 52 CO 0.67 0.54 0.26 0.44 -0.62 0.00 0.00 178.44 179.74 3hta h ASP 53 N 0.57 0.37 0.01 1.25 3.32 -1.96 -1.34 116.42 118.64 3hta h ASP 53 Ca 0.13 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3hta h ASP 53 Cb 0.23 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3hta h ASP 53 CO -0.00 0.26 -0.07 0.44 -1.72 0.00 0.00 179.24 178.15 3hta h ASP 54 N 0.50 0.15 0.11 6.45 5.19 -1.86 0.09 116.42 127.05 3hta h ASP 54 Ca 0.22 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 3hta h ASP 54 Cb 0.13 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.60 3hta h ASP 54 CO -0.15 0.24 -0.05 0.25 -3.12 0.00 0.00 179.24 176.41 3hta h LEU 55 N 0.16 -0.13 -0.59 1.55 6.46 -1.31 -2.55 115.31 118.90 3hta h LEU 55 Ca 0.04 -0.38 0.02 0.00 -0.12 0.00 0.00 57.88 57.43 3hta h LEU 55 Cb 0.23 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 3hta h LEU 55 CO 0.01 0.35 0.38 0.24 -0.62 0.00 0.00 178.44 178.79 3hta h MET 56 N -0.64 0.73 -0.93 1.25 2.86 -0.97 0.67 114.93 117.91 3hta h MET 56 Ca -0.02 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3hta h MET 56 Cb 0.50 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 3hta h MET 56 CO 0.02 0.49 0.60 0.28 1.06 0.00 0.00 176.91 179.36 3hta h VAL 57 N 0.76 1.15 -0.37 -2.22 2.07 -1.03 0.27 116.25 116.87 3hta h VAL 57 Ca 0.23 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 3hta h VAL 57 Cb -0.04 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.61 3hta h VAL 57 CO -0.07 0.21 -0.35 0.00 0.02 0.00 0.00 177.57 177.38 3hta h ALA 58 N 1.39 0.54 -0.75 1.67 0.00 -0.95 -2.06 119.26 119.10 3hta h ALA 58 Ca 0.38 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3hta h ALA 58 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hta h ALA 58 CO -0.13 0.62 0.24 0.00 0.00 0.00 0.00 179.25 179.98 3hta h ALA 59 N 0.76 0.99 0.08 0.00 0.00 -0.15 -2.58 119.26 118.37 3hta h ALA 59 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hta h ALA 59 Cb 0.94 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hta h ALA 59 CO 0.09 0.67 -0.04 1.25 0.00 0.00 0.00 179.25 181.22 3hta h LEU 60 N 1.12 -0.09 -1.44 0.00 5.85 -0.42 -0.38 115.31 119.95 3hta h LEU 60 Ca 0.24 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.94 3hta h LEU 60 Cb 0.31 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3hta h LEU 60 CO -0.01 0.08 0.50 0.03 -0.34 0.00 0.00 178.44 178.70 3hta h ARG 61 N -0.25 0.59 0.04 1.25 3.08 -1.22 0.48 114.38 118.34 3hta h ARG 61 Ca -0.01 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.77 3hta h ARG 61 Cb 0.21 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3hta h ARG 61 CO 0.02 0.39 -1.01 0.37 -1.07 0.00 0.00 179.97 178.67 3hta h GLN 62 N 0.60 0.32 -0.38 0.04 4.15 -1.30 -3.23 115.11 115.32 3hta h GLN 62 Ca 0.36 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3hta h GLN 62 Cb 0.57 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 3hta h GLN 62 CO -0.13 1.10 0.18 0.00 -1.93 0.00 0.00 178.83 178.05 3hta h ALA 63 N 0.75 0.49 0.00 3.38 0.00 0.11 -1.57 119.26 122.41 3hta h ALA 63 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hta h ALA 63 Cb 1.67 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3hta h ALA 63 CO 0.17 0.05 0.08 0.09 0.00 0.00 0.00 179.25 179.64 3hta n ASN 64 N -4.71 0.00 0.25 0.00 3.02 0.14 -1.21 115.26 112.75 3hta n ASN 64 Ca -0.00 0.35 0.16 0.00 -0.03 0.00 0.00 54.58 55.06 3hta n ASN 64 Cb 0.11 -0.35 0.63 0.00 -0.61 0.00 0.00 39.78 39.55 3hta n ASN 64 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3hta h GLU 65 N 0.00 0.00 0.13 3.52 5.08 -1.37 -2.93 114.58 119.01 3hta h GLU 65 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3hta h GLU 65 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3hta h GLU 65 CO 0.00 0.00 -0.06 0.78 -1.00 0.00 0.00 179.01 178.73 3hta h GLY 66 N 2.24 -0.18 1.24 -3.84 0.00 -1.35 -2.14 103.07 99.03 3hta h GLY 66 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 3hta h GLY 66 CO 0.00 -0.07 -0.09 -2.75 0.00 0.00 0.00 176.54 173.64 3hta h PHE 67 N -0.65 0.99 0.00 5.60 3.57 -1.77 -2.54 116.94 122.13 3hta h PHE 67 Ca -0.02 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 3hta h PHE 67 Cb 0.50 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 3hta h PHE 67 CO 0.07 0.93 -0.12 0.00 -2.23 0.00 0.00 178.31 176.97 3hta h ALA 68 N 1.08 1.58 0.00 2.41 0.00 -1.55 -1.78 119.26 121.00 3hta h ALA 68 Ca 0.14 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3hta h ALA 68 Cb 0.60 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hta h ALA 68 CO 0.04 0.15 -0.83 -0.09 0.00 0.00 0.00 179.25 178.51 3hta h ARG 69 N 0.00 0.01 -0.06 0.00 2.43 -0.95 -2.16 114.38 113.65 3hta h ARG 69 Ca -0.00 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 3hta h ARG 69 Cb 0.24 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3hta h ARG 69 CO 0.02 0.83 -0.39 0.28 -1.51 0.00 0.00 179.97 179.20 3hta h VAL 70 N 0.00 1.43 -1.00 0.20 2.07 -1.25 -3.07 116.25 114.63 3hta h VAL 70 Ca -0.01 -1.82 0.12 0.00 0.82 0.00 0.00 66.70 65.81 3hta h VAL 70 Cb 1.47 2.40 -0.09 0.00 -1.52 0.00 0.00 31.29 33.55 3hta h VAL 70 CO 0.11 0.53 0.63 0.58 0.02 0.00 0.00 177.57 179.44 3hta h VAL 71 N -0.14 0.91 0.00 2.57 2.07 -1.33 0.39 116.25 120.72 3hta h VAL 71 Ca -0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3hta h VAL 71 Cb 1.06 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3hta h VAL 71 CO 0.08 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.85 3hta h ALA 72 N 1.55 1.00 -0.29 1.67 0.00 -1.33 -1.85 119.26 120.00 3hta h ALA 72 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3hta h ALA 72 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hta h ALA 72 CO -0.27 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.98 3hta n ALA 73 N -1.87 2.47 -3.59 0.00 0.00 0.12 -4.50 120.51 113.13 3hta n ALA 73 Ca 0.01 -0.72 -0.27 0.00 0.00 0.00 0.00 53.44 52.45 3hta n ALA 73 Cb 0.19 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 3hta n ALA 73 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hta n HIS 74 N 0.79 1.34 0.19 0.00 8.25 -0.70 -4.93 115.22 120.16 3hta n HIS 74 Ca 0.17 -3.84 0.05 0.00 -0.26 0.00 0.00 57.72 53.84 3hta n HIS 74 Cb 0.43 -0.24 0.50 0.00 1.12 0.00 0.00 29.99 31.79 3hta n HIS 74 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3hta h PRO 75 N 5.25 0.10 -0.42 -0.41 0.11 -1.79 -2.82 132.00 132.03 3hta h PRO 75 Ca 0.20 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.41 3hta h PRO 75 Cb 0.82 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 3hta h PRO 75 CO 0.57 0.20 0.57 0.00 -0.21 0.00 0.00 178.00 179.13 3hta h ALA 76 N 1.82 2.10 0.00 -0.75 0.00 -1.94 -0.46 119.26 120.03 3hta h ALA 76 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hta h ALA 76 Cb 0.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hta h ALA 76 CO 0.01 -0.78 0.09 -0.07 0.00 0.00 0.00 179.25 178.50 3hta h LEU 77 N 0.00 0.00 0.00 0.00 3.38 -1.88 -0.51 115.31 116.31 3hta h LEU 77 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hta h LEU 77 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3hta h LEU 77 CO -0.00 0.00 -1.29 -1.54 0.09 0.00 0.00 178.44 175.70 3hta n SER 78 N -2.78 0.53 -4.62 -0.43 3.41 -0.18 -4.87 113.62 104.68 3hta n SER 78 Ca -0.02 -0.28 -0.43 0.00 -0.26 0.00 0.00 58.87 57.88 3hta n SER 78 Cb 0.14 1.15 -0.02 0.00 -0.26 0.00 0.00 64.21 65.22 3hta n SER 78 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hta s ASP 79 N -3.98 6.76 0.53 4.04 2.15 -0.20 -4.90 116.67 121.07 3hta s ASP 79 Ca 0.01 0.88 0.35 0.00 0.43 0.00 0.00 52.55 54.22 3hta s ASP 79 Cb 0.14 -2.54 1.89 0.00 -0.30 0.00 0.00 42.92 42.11 3hta s ASP 79 CO 0.84 -1.06 2.06 -0.65 -0.17 0.00 0.00 175.17 176.19 3hta h PRO 80 N 8.80 0.00 0.00 4.34 0.11 -1.89 -1.62 132.00 141.74 3hta h PRO 80 Ca -0.23 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.72 3hta h PRO 80 Cb 1.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3hta h PRO 80 CO 1.07 0.00 -1.16 0.93 -0.21 0.00 0.00 178.00 178.63 3hta h GLU 81 N 0.00 0.00 -7.13 1.05 3.07 -1.93 -3.48 114.58 106.16 3hta h GLU 81 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 3hta h GLU 81 Cb 0.04 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.05 3hta h GLU 81 CO 0.00 0.42 0.42 0.00 -1.40 0.00 0.00 179.01 178.45 3hta s ALA 82 N -2.89 2.51 -0.71 3.43 0.00 -0.61 -4.91 121.76 118.58 3hta s ALA 82 Ca -0.01 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 52.50 3hta s ALA 82 Cb 0.08 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 3hta s ALA 82 CO 0.80 -1.17 1.70 0.34 0.00 0.00 0.00 175.76 177.42 3hta s ASP 83 N -1.97 5.56 0.42 0.00 3.68 -1.26 -4.83 116.67 118.26 3hta s ASP 83 Ca 0.73 -0.11 0.08 0.00 2.13 0.00 0.00 52.55 55.38 3hta s ASP 83 Cb -0.26 -2.54 0.89 0.00 -1.45 0.00 0.00 42.92 39.56 3hta s ASP 83 CO 0.35 -2.24 2.05 0.25 0.13 0.00 0.00 175.17 175.71 3hta h LEU 84 N 15.53 0.45 -0.16 -1.34 5.85 -1.91 -1.47 115.31 132.26 3hta h LEU 84 Ca -0.19 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.31 3hta h LEU 84 Cb 1.10 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.03 3hta h LEU 84 CO 1.25 0.32 -0.74 0.28 -0.34 0.00 0.00 178.44 179.21 3hta h SER 85 N 0.53 0.92 0.59 1.25 0.02 -1.90 -1.99 113.55 112.97 3hta h SER 85 Ca 0.17 -0.62 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 3hta h SER 85 Cb 0.04 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3hta h SER 85 CO -0.04 1.39 -0.56 1.23 -1.14 0.00 0.00 176.83 177.71 3hta h GLY 86 N 0.51 0.00 0.98 -3.77 0.00 -1.80 -1.08 103.07 97.91 3hta h GLY 86 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 3hta h GLY 86 CO 0.15 0.00 -0.40 -2.09 0.00 0.00 0.00 176.54 174.21 3hta h GLU 87 N 0.00 0.69 -0.14 4.80 4.57 -1.23 -2.13 114.58 121.15 3hta h GLU 87 Ca -0.01 -0.42 -0.15 0.00 -1.18 0.00 0.00 59.36 57.61 3hta h GLU 87 Cb 1.01 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 3hta h GLU 87 CO 0.07 1.04 -0.54 -0.07 -1.18 0.00 0.00 179.01 178.34 3hta h LEU 88 N 0.40 0.44 -1.67 1.64 3.38 -1.25 -1.92 115.31 116.34 3hta h LEU 88 Ca 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3hta h LEU 88 Cb 0.99 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hta h LEU 88 CO 0.09 0.89 -0.15 0.00 0.09 0.00 0.00 178.44 179.36 3hta h ALA 89 N 1.12 1.18 0.00 1.53 0.00 -1.12 -1.50 119.26 120.47 3hta h ALA 89 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hta h ALA 89 Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hta h ALA 89 CO 0.09 0.19 -0.04 -0.09 0.00 0.00 0.00 179.25 179.40 3hta h ARG 90 N 0.00 0.03 -0.49 0.00 9.65 -0.91 -2.63 114.38 120.02 3hta h ARG 90 Ca -0.00 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 58.94 3hta h ARG 90 Cb 0.47 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.97 3hta h ARG 90 CO 0.02 0.83 -0.00 0.28 2.80 0.00 0.00 179.97 183.89 3hta h VAL 91 N -0.76 0.61 -0.06 0.20 2.07 -1.04 0.35 116.25 117.62 3hta h VAL 91 Ca -0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3hta h VAL 91 Cb 0.84 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3hta h VAL 91 CO 0.01 0.02 0.04 -0.07 0.02 0.00 0.00 177.57 177.59 3hta h LEU 92 N 0.11 0.08 -1.16 2.57 3.38 -1.35 -0.49 115.31 118.45 3hta h LEU 92 Ca 0.25 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.25 3hta h LEU 92 Cb 0.37 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3hta h LEU 92 CO -0.42 0.08 0.58 1.23 0.09 0.00 0.00 178.44 180.00 3hta h GLY 93 N 0.07 1.29 1.97 0.83 0.00 -0.97 0.24 103.07 106.50 3hta h GLY 93 Ca 0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 3hta h GLY 93 CO -0.00 0.31 -0.64 0.83 0.00 0.00 0.00 176.54 177.04 3hta h GLU 94 N 1.03 0.03 0.08 4.80 5.08 -0.63 -0.45 114.58 124.52 3hta h GLU 94 Ca 0.38 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.53 3hta h GLU 94 Cb 0.16 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.43 3hta h GLU 94 CO -0.13 0.66 -0.79 2.35 -1.00 0.00 0.00 179.01 180.09 3hta h TRP 95 N 0.02 0.65 0.00 4.33 7.01 -0.21 -3.19 115.95 124.56 3hta h TRP 95 Ca -0.01 -0.41 -0.05 0.00 2.11 0.00 0.00 58.89 60.54 3hta h TRP 95 Cb 1.14 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 28.14 3hta h TRP 95 CO 0.00 1.27 -0.22 -0.07 -2.79 0.00 0.00 178.44 176.63 3hta h LEU 96 N -0.15 0.00 -0.08 0.65 -0.00 -0.53 -2.72 115.31 112.48 3hta h LEU 96 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 3hta h LEU 96 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.20 3hta h LEU 96 CO 0.15 0.22 -0.08 0.61 -0.00 0.00 0.00 178.44 179.34 3hta n GLY 97 N -0.76 -1.21 0.00 0.83 0.00 -0.18 -4.83 105.19 99.04 3hta n GLY 97 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3hta n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hta n GLY 98 N 1.34 -2.66 3.65 -0.02 0.00 -1.03 -4.82 105.19 101.65 3hta n GLY 98 Ca 0.12 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 3hta n GLY 98 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hta s ASP 99 N -1.61 6.41 0.39 1.61 -1.08 -1.26 -4.86 116.67 116.27 3hta s ASP 99 Ca 0.00 2.17 0.14 0.00 -0.52 0.00 0.00 52.55 54.34 3hta s ASP 99 Cb 0.00 -2.53 0.97 0.00 -1.46 0.00 0.00 42.92 39.90 3hta s ASP 99 CO 0.00 -1.15 1.86 -0.09 0.52 0.00 0.00 175.17 176.31 3hta h ARG 100 N 10.69 0.50 -0.48 4.34 9.65 -1.88 0.22 114.38 137.42 3hta h ARG 100 Ca -0.41 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.40 3hta h ARG 100 Cb 1.19 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.64 3hta h ARG 100 CO 0.96 0.33 0.15 1.15 2.80 0.00 0.00 179.97 185.36 3hta h THR 101 N 0.52 1.23 -0.56 0.20 2.02 -1.97 0.18 112.91 114.52 3hta h THR 101 Ca 0.46 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 3hta h THR 101 Cb 0.97 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3hta h THR 101 CO -0.19 0.28 0.23 1.23 0.37 0.00 0.00 175.52 177.44 3hta h GLY 102 N 0.65 0.90 0.92 2.16 0.00 -1.41 -0.40 103.07 105.89 3hta h GLY 102 Ca 0.16 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3hta h GLY 102 CO -0.00 0.46 0.10 -2.08 0.00 0.00 0.00 176.54 175.01 3hta h VAL 103 N 0.77 1.13 -0.74 4.60 2.07 -0.83 -1.54 116.25 121.71 3hta h VAL 103 Ca 0.19 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3hta h VAL 103 Cb 0.19 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3hta h VAL 103 CO -0.02 0.12 0.31 -0.33 0.02 0.00 0.00 177.57 177.68 3hta h GLU 104 N 0.20 1.09 -0.17 1.57 5.08 -0.43 -1.11 114.58 120.81 3hta h GLU 104 Ca 0.07 -0.19 -0.18 0.00 -1.00 0.00 0.00 59.36 58.06 3hta h GLU 104 Cb 0.10 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3hta h GLU 104 CO -0.01 0.88 -0.64 1.37 -1.00 0.00 0.00 179.01 179.62 3hta h LEU 105 N 1.05 0.69 -0.88 1.33 8.10 -0.99 -0.14 115.31 124.47 3hta h LEU 105 Ca 0.25 -0.40 -0.05 0.00 0.11 0.00 0.00 57.88 57.78 3hta h LEU 105 Cb 0.18 -0.20 -0.03 0.00 -0.44 0.00 0.00 40.66 40.17 3hta h LEU 105 CO -0.02 1.15 0.19 -0.08 -4.11 0.00 0.00 178.44 175.57 3hta h GLU 106 N 0.44 1.02 0.00 0.17 4.81 -1.10 -2.68 114.58 117.24 3hta h GLU 106 Ca -0.01 -0.21 -0.16 0.00 -0.13 0.00 0.00 59.36 58.84 3hta h GLU 106 Cb 1.21 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3hta h GLU 106 CO 0.12 0.88 -0.78 -0.92 -0.73 0.00 0.00 179.01 177.58 3hta h TYR 107 N 0.98 0.00 -0.07 0.92 -0.00 -1.01 -3.06 116.97 114.73 3hta h TYR 107 Ca 0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.81 3hta h TYR 107 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.01 3hta h TYR 107 CO 0.02 0.78 -0.54 1.49 -0.00 0.00 0.00 178.16 179.91 3hta h GLU 108 N 0.00 0.20 -0.06 1.82 4.81 -0.77 -1.70 114.58 118.88 3hta h GLU 108 Ca -0.01 -0.12 -0.21 0.00 -0.13 0.00 0.00 59.36 58.89 3hta h GLU 108 Cb 1.44 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.84 3hta h GLU 108 CO 0.10 0.69 -0.83 -0.07 -0.73 0.00 0.00 179.01 178.18 3hta h LEU 109 N 0.15 0.60 -0.53 1.64 3.38 -1.52 -1.74 115.31 117.30 3hta h LEU 109 Ca 0.00 -0.43 -0.13 0.00 0.09 0.00 0.00 57.88 57.41 3hta h LEU 109 Cb 1.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3hta h LEU 109 CO 0.08 1.20 -0.25 0.22 0.09 0.00 0.00 178.44 179.78 3hta h TYR 110 N 0.31 1.07 0.00 1.13 3.20 -1.42 -2.77 116.97 118.49 3hta h TYR 110 Ca -0.06 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.55 3hta h TYR 110 Cb 1.44 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.46 3hta h TYR 110 CO 0.06 1.07 0.00 1.28 -1.64 0.00 0.00 178.16 178.93 3hta n LEU 111 N -4.10 0.65 0.21 2.82 4.77 -0.65 -3.22 117.00 117.48 3hta n LEU 111 Ca -0.00 0.57 0.15 0.00 -0.03 0.00 0.00 56.01 56.69 3hta n LEU 111 Cb 0.47 -0.38 0.71 0.00 -2.33 0.00 0.00 43.42 41.90 3hta n LEU 111 CO 0.47 -0.19 0.93 0.00 -1.33 0.00 0.00 177.39 177.27 3hta h ALA 112 N 2.57 1.00 0.00 -1.18 0.00 -1.00 -1.16 119.26 119.49 3hta h ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hta h ALA 112 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hta h ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3hta h ALA 113 N 2.06 1.00 -0.69 0.00 0.00 -1.69 -3.19 119.26 116.75 3hta h ALA 113 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.06 3hta h ALA 113 Cb 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 3hta h ALA 113 CO 0.00 0.00 0.08 1.25 0.00 0.00 0.00 179.25 180.58 3hta h LEU 114 N 0.00 -0.15 -2.18 0.00 5.85 -1.47 -2.97 115.31 114.39 3hta h LEU 114 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hta h LEU 114 Cb 0.42 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3hta h LEU 114 CO 0.00 -0.09 0.00 0.54 -0.34 0.00 0.00 178.44 178.55 3hta n ARG 115 N -5.23 1.57 -3.97 1.25 5.12 -1.23 -4.90 116.66 109.28 3hta n ARG 115 Ca 0.12 -1.41 -0.31 0.00 -1.93 0.00 0.00 57.85 54.32 3hta n ARG 115 Cb 0.42 -1.15 -0.15 0.00 -1.16 0.00 0.00 32.46 30.43 3hta n ARG 115 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3hta s ARG 116 N -0.80 1.47 0.26 5.56 0.52 -1.12 -5.00 118.95 119.84 3hta s ARG 116 Ca 0.11 -1.91 -0.08 0.00 -0.52 0.00 0.00 55.73 53.33 3hta s ARG 116 Cb 0.07 -3.07 0.44 0.00 0.52 0.00 0.00 34.95 32.90 3hta s ARG 116 CO 0.09 -0.98 1.59 -1.35 0.02 0.00 0.00 175.30 174.67 3hta h PRO 117 N 7.46 0.01 -0.86 3.54 0.11 -1.91 0.97 132.00 141.33 3hta h PRO 117 Ca -0.06 -0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.30 3hta h PRO 117 Cb 1.00 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3hta h PRO 117 CO 0.54 0.01 0.67 0.00 -0.21 0.00 0.00 178.00 179.01 3hta h ALA 118 N 1.87 2.77 0.00 -0.75 0.00 -1.94 0.12 119.26 121.32 3hta h ALA 118 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3hta h ALA 118 Cb 0.73 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hta h ALA 118 CO -0.88 -1.12 -0.48 -0.07 0.00 0.00 0.00 179.25 176.70 3hta h LEU 119 N 0.00 0.00 -0.94 0.00 3.38 -1.12 -3.36 115.31 113.26 3hta h LEU 119 Ca 0.41 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.39 3hta h LEU 119 Cb 1.75 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.45 3hta h LEU 119 CO -0.00 0.01 0.62 0.03 0.09 0.00 0.00 178.44 179.18 3hta h ARG 120 N 0.00 1.18 -0.47 1.13 3.08 -0.76 -1.60 114.38 116.93 3hta h ARG 120 Ca 0.00 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.01 3hta h ARG 120 Cb 0.97 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 3hta h ARG 120 CO 0.00 0.78 0.25 -1.35 -1.07 0.00 0.00 179.97 178.58 3hta h PRO 121 N 1.21 0.48 0.00 0.04 0.11 -1.72 0.21 132.00 132.34 3hta h PRO 121 Ca 0.37 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.43 3hta h PRO 121 Cb -0.03 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 30.97 3hta h PRO 121 CO -0.11 0.32 -0.09 -0.24 -0.21 0.00 0.00 178.00 177.67 3hta h VAL 122 N 0.49 0.20 0.15 3.15 3.04 -1.72 0.27 116.25 121.82 3hta h VAL 122 Ca 0.20 -0.87 -0.26 0.00 -1.01 0.00 0.00 66.70 64.77 3hta h VAL 122 Cb 0.09 1.73 0.03 0.00 -2.01 0.00 0.00 31.29 31.13 3hta h VAL 122 CO -0.13 0.09 -1.09 0.00 -1.01 0.00 0.00 177.57 175.43 3hta h ALA 123 N 1.91 -0.07 -0.48 3.17 0.00 -0.51 -2.78 119.26 120.51 3hta h ALA 123 Ca -0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 3hta h ALA 123 Cb 0.72 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3hta h ALA 123 CO 0.01 0.55 0.30 0.00 0.00 0.00 0.00 179.25 180.10 3hta h ALA 124 N 0.19 0.61 -0.27 0.00 0.00 -0.35 -1.35 119.26 118.09 3hta h ALA 124 Ca -0.18 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.74 3hta h ALA 124 Cb 1.82 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3hta h ALA 124 CO 0.21 0.09 0.19 1.49 0.00 0.00 0.00 179.25 181.23 3hta h GLU 125 N 0.64 0.07 -0.03 0.00 4.81 -0.98 -0.94 114.58 118.16 3hta h GLU 125 Ca 0.17 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3hta h GLU 125 Cb -0.02 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3hta h GLU 125 CO -0.03 0.05 -0.15 2.35 -0.73 0.00 0.00 179.01 180.49 3hta h TRP 126 N 0.08 0.21 -0.03 0.92 7.01 -0.98 -2.90 115.95 120.26 3hta h TRP 126 Ca 0.12 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 61.04 3hta h TRP 126 Cb 0.39 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 3hta h TRP 126 CO -0.00 0.80 0.04 0.00 -2.79 0.00 0.00 178.44 176.50 3hta h ALA 127 N 0.37 1.43 0.35 2.65 0.00 -0.61 -2.19 119.26 121.25 3hta h ALA 127 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hta h ALA 127 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hta h ALA 127 CO 0.03 -0.06 -0.17 1.49 0.00 0.00 0.00 179.25 180.54 3hta h GLU 128 N 0.00 -0.46 -0.87 0.00 4.57 -1.01 -2.53 114.58 114.28 3hta h GLU 128 Ca 0.01 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.29 3hta h GLU 128 Cb 0.10 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.74 3hta h GLU 128 CO -0.00 -0.14 0.57 0.78 -1.18 0.00 0.00 179.01 179.03 3hta h GLY 129 N -0.81 1.25 2.00 1.92 0.00 -1.22 0.93 103.07 107.13 3hta h GLY 129 Ca -0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 3hta h GLY 129 CO 0.08 0.27 -0.15 -2.08 0.00 0.00 0.00 176.54 174.66 3hta h VAL 130 N 0.96 0.88 0.02 4.60 2.07 -1.42 -1.87 116.25 121.48 3hta h VAL 130 Ca 0.38 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3hta h VAL 130 Cb 0.24 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3hta h VAL 130 CO -0.14 0.15 -0.01 1.23 0.02 0.00 0.00 177.57 178.82 3hta h GLY 131 N 0.65 -0.03 0.81 2.17 0.00 -0.44 -3.18 103.07 103.06 3hta h GLY 131 Ca -0.00 0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.42 3hta h GLY 131 CO 0.02 -0.01 0.52 0.00 0.00 0.00 0.00 176.54 177.07 3hta h ALA 132 N -0.14 1.88 0.71 3.60 0.00 -0.89 0.65 119.26 125.07 3hta h ALA 132 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hta h ALA 132 Cb 0.74 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hta h ALA 132 CO 0.00 -0.66 -0.42 1.25 0.00 0.00 0.00 179.25 179.42 3hta h LEU 133 N 0.00 -1.06 0.00 0.00 6.46 -1.32 -3.32 115.31 116.07 3hta h LEU 133 Ca 0.13 0.06 -0.26 0.00 -0.12 0.00 0.00 57.88 57.69 3hta h LEU 133 Cb 1.16 0.30 -0.05 0.00 -0.73 0.00 0.00 40.66 41.35 3hta h LEU 133 CO -0.00 -0.66 -2.19 0.00 -0.62 0.00 0.00 178.44 174.97 3hta n LEU 134 N -5.10 0.11 -0.42 2.25 -0.00 -0.37 -4.29 117.00 109.18 3hta n LEU 134 Ca -0.13 0.05 0.35 0.00 -0.00 0.00 0.00 56.01 56.28 3hta n LEU 134 Cb 0.44 0.33 0.66 0.00 -0.00 0.00 0.00 43.42 44.85 3hta n LEU 134 CO 0.30 0.35 1.29 0.00 -0.00 0.00 0.00 177.39 179.33 3hta h ALA 135 N 1.28 2.86 0.00 1.47 0.00 0.09 1.87 119.26 126.83 3hta h ALA 135 Ca -0.38 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hta h ALA 135 Cb 1.88 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3hta h ALA 135 CO 0.03 -1.35 0.00 0.00 0.00 0.00 0.00 179.25 177.93 3hta n ALA 136 N -2.63 2.10 -1.05 0.00 0.00 -1.25 -2.30 120.51 115.37 3hta n ALA 136 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3hta n ALA 136 Cb 1.32 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3hta n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hta n ARG 137 N 0.35 0.00 -4.09 0.00 1.74 0.63 -5.07 116.66 110.23 3hta n ARG 137 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 3hta n ARG 137 Cb 0.24 -0.01 -0.06 0.00 -1.02 0.00 0.00 32.46 31.61 3hta n ARG 137 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3hta s THR 138 N 0.00 0.00 1.14 0.55 -4.23 -0.58 -5.10 115.64 107.42 3hta s THR 138 Ca 0.00 -1.64 -0.18 0.00 -1.18 0.00 0.00 61.69 58.69 3hta s THR 138 Cb 0.00 -2.40 0.16 0.00 1.34 0.00 0.00 72.50 71.59 3hta s THR 138 CO 0.00 0.00 0.21 -0.90 -0.54 0.00 0.00 174.62 173.39 3hta n ASP 139 N -0.63 -2.54 -0.07 3.99 5.75 -1.26 -4.57 116.55 117.22 3hta n ASP 139 Ca 0.00 -0.23 -0.15 0.00 -0.01 0.00 0.00 54.79 54.40 3hta n ASP 139 Cb 0.63 -0.96 -0.04 0.00 -1.03 0.00 0.00 41.12 39.73 3hta n ASP 139 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3hta h PRO 140 N -2.36 0.86 0.00 0.11 0.13 -2.01 -3.18 132.00 125.56 3hta h PRO 140 Ca -0.50 -0.55 -0.05 0.00 -0.87 0.00 0.00 66.00 64.03 3hta h PRO 140 Cb 1.27 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 3hta h PRO 140 CO 0.35 1.18 -0.25 0.00 -0.23 0.00 0.00 178.00 179.06 3hta h THR 141 N 0.66 0.52 -0.35 1.56 1.03 -2.00 -2.93 112.91 111.40 3hta h THR 141 Ca 0.01 -1.35 -0.17 0.00 -0.01 0.00 0.00 66.41 64.90 3hta h THR 141 Cb 1.16 1.95 -0.00 0.00 -1.07 0.00 0.00 68.15 70.19 3hta h THR 141 CO 0.12 0.25 -0.44 0.74 -0.01 0.00 0.00 175.52 176.18 3hta h THR 142 N 0.00 1.27 -0.86 0.00 2.02 -1.91 -1.68 112.91 111.74 3hta h THR 142 Ca -0.00 -1.61 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 3hta h THR 142 Cb 0.93 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 3hta h THR 142 CO 0.03 0.53 0.50 0.00 0.37 0.00 0.00 175.52 176.96 3hta h ALA 143 N 0.78 1.10 -0.24 6.16 0.00 -1.51 -1.15 119.26 124.40 3hta h ALA 143 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hta h ALA 143 Cb 1.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hta h ALA 143 CO 0.10 0.58 0.06 0.00 0.00 0.00 0.00 179.25 180.00 3hta h ARG 144 N 1.20 0.38 0.00 0.00 3.08 -1.33 -3.20 114.38 114.51 3hta h ARG 144 Ca 0.31 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 3hta h ARG 144 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3hta h ARG 144 CO -0.05 0.48 -0.37 0.00 -1.07 0.00 0.00 179.97 178.96 3hta h ALA 145 N 0.88 1.00 -0.08 0.04 0.00 -1.05 -3.32 119.26 116.74 3hta h ALA 145 Ca 0.08 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3hta h ALA 145 Cb 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3hta h ALA 145 CO -0.00 0.46 -0.50 1.25 0.00 0.00 0.00 179.25 180.46 3hta h LEU 146 N 0.00 -1.55 -1.16 0.00 5.85 -1.20 0.16 115.31 117.40 3hta h LEU 146 Ca -0.00 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.98 3hta h LEU 146 Cb 0.89 0.61 -0.06 0.00 0.37 0.00 0.00 40.66 42.46 3hta h LEU 146 CO 0.05 -0.48 0.58 1.62 -0.34 0.00 0.00 178.44 179.87 3hta h VAL 147 N -0.59 1.02 -0.50 1.05 3.04 -1.71 0.28 116.25 118.85 3hta h VAL 147 Ca 0.04 -0.33 -0.04 0.00 -1.01 0.00 0.00 66.70 65.35 3hta h VAL 147 Cb 0.68 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 29.91 3hta h VAL 147 CO -0.39 0.18 0.14 0.00 -1.01 0.00 0.00 177.57 176.48 3hta h ALA 148 N 1.53 0.65 -0.43 3.17 0.00 -1.39 -0.92 119.26 121.88 3hta h ALA 148 Ca 0.40 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3hta h ALA 148 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hta h ALA 148 CO -0.16 0.33 -0.11 0.28 0.00 0.00 0.00 179.25 179.59 3hta h VAL 149 N 0.68 1.27 -0.46 0.00 2.07 0.36 0.16 116.25 120.32 3hta h VAL 149 Ca 0.16 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3hta h VAL 149 Cb 0.30 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3hta h VAL 149 CO -0.00 0.41 0.21 -0.07 0.02 0.00 0.00 177.57 178.14 3hta h LEU 150 N 0.65 0.62 -0.76 2.57 -0.00 -0.30 -0.80 115.31 117.29 3hta h LEU 150 Ca 0.11 -0.15 -0.11 0.00 -0.00 0.00 0.00 57.88 57.73 3hta h LEU 150 Cb 0.64 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 3hta h LEU 150 CO 0.04 0.59 -0.26 0.44 -0.00 0.00 0.00 178.44 179.26 3hta h ASP 151 N 0.61 0.66 -0.71 -0.43 3.32 -1.11 -2.22 116.42 116.54 3hta h ASP 151 Ca 0.16 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 56.98 3hta h ASP 151 Cb 0.15 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3hta h ASP 151 CO -0.02 0.90 0.46 1.23 -1.72 0.00 0.00 179.24 180.09 3hta h GLY 152 N 1.00 1.01 1.03 2.75 0.00 -0.48 0.89 103.07 109.26 3hta h GLY 152 Ca 0.08 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 3hta h GLY 152 CO 0.06 0.32 -0.41 -2.22 0.00 0.00 0.00 176.54 174.30 3hta h ILE 153 N 0.91 1.30 -0.46 2.60 2.04 -1.00 -2.20 117.51 120.71 3hta h ILE 153 Ca 0.27 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 64.45 3hta h ILE 153 Cb -0.05 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3hta h ILE 153 CO -0.08 0.51 -0.03 0.00 0.00 0.00 0.00 178.15 178.55 3hta h LEU 155 N 0.67 0.55 -1.35 0.00 5.85 -0.82 0.09 115.31 120.29 3hta h LEU 155 Ca 0.13 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3hta h LEU 155 Cb 0.55 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3hta h LEU 155 CO 0.03 0.46 -0.28 -0.61 -0.34 0.00 0.00 178.44 177.70 3hta h GLN 156 N 0.62 0.00 0.00 1.25 4.15 -1.06 -1.98 115.11 118.10 3hta h GLN 156 Ca 0.16 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 3hta h GLN 156 Cb 0.04 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3hta h GLN 156 CO -0.02 0.28 -0.63 0.28 -1.93 0.00 0.00 178.83 176.80 3hta h VAL 157 N 0.00 0.30 -0.22 2.39 2.07 -1.07 -3.38 116.25 116.34 3hta h VAL 157 Ca -0.00 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.09 3hta h VAL 157 Cb 0.64 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3hta h VAL 157 CO 0.04 0.10 -0.17 -0.07 0.02 0.00 0.00 177.57 177.49 3hta h LEU 158 N -1.00 0.37 0.00 2.57 3.38 -1.08 -2.48 115.31 117.07 3hta h LEU 158 Ca -0.09 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hta h LEU 158 Cb 0.68 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hta h LEU 158 CO -0.05 0.56 -0.32 -0.07 0.09 0.00 0.00 178.44 178.65 3hta h LEU 159 N 0.35 0.00 -1.40 1.67 4.07 -1.57 -3.37 115.31 115.06 3hta h LEU 159 Ca 0.06 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3hta h LEU 159 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 3hta h LEU 159 CO 0.03 0.05 0.00 0.35 -1.08 0.00 0.00 178.44 177.79 3hta n THR 160 N -2.24 0.29 -3.12 0.22 -2.24 -1.22 -5.01 114.28 100.97 3hta n THR 160 Ca 0.04 -0.49 -0.19 0.00 -2.27 0.00 0.00 64.05 61.14 3hta n THR 160 Cb 0.44 1.04 0.05 0.00 -2.10 0.00 0.00 70.33 69.75 3hta n THR 160 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hta n ASP 161 N -0.15 -5.54 -4.82 3.42 8.00 -0.95 -5.00 116.55 111.51 3hta n ASP 161 Ca 0.00 -0.33 -0.37 0.00 0.71 0.00 0.00 54.79 54.80 3hta n ASP 161 Cb 0.18 -4.28 -0.06 0.00 -0.02 0.00 0.00 41.12 36.94 3hta n ASP 161 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hta s THR 162 N -3.16 5.29 0.52 -3.53 2.01 -1.08 -5.06 115.64 110.63 3hta s THR 162 Ca 0.36 0.51 -0.20 0.00 0.31 0.00 0.00 61.69 62.66 3hta s THR 162 Cb -0.16 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 3hta s THR 162 CO 0.44 0.55 1.12 -2.16 -0.69 0.00 0.00 174.62 173.88 3hta s PRO 163 N -0.65 3.50 0.30 4.92 0.04 -1.26 -4.59 135.00 137.25 3hta s PRO 163 Ca 0.18 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 3hta s PRO 163 Cb -0.14 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 3hta s PRO 163 CO 0.07 -0.73 1.29 -0.47 0.04 0.00 0.00 177.00 177.20 3hta s TYR 164 N -1.77 3.14 -0.34 0.56 5.04 -1.26 -4.97 117.35 117.75 3hta s TYR 164 Ca 0.70 1.39 0.03 0.00 -2.44 0.00 0.00 57.07 56.76 3hta s TYR 164 Cb -0.23 -3.63 0.10 0.00 0.35 0.00 0.00 41.96 38.54 3hta s TYR 164 CO 0.27 -1.77 0.07 0.34 -1.34 0.00 0.00 175.55 173.12 3hta s ASP 165 N -0.36 4.57 0.29 4.32 -1.08 -1.26 -5.00 116.67 118.16 3hta s ASP 165 Ca 0.50 -2.08 -0.02 0.00 -0.52 0.00 0.00 52.55 50.44 3hta s ASP 165 Cb -0.39 -1.45 0.41 0.00 -1.46 0.00 0.00 42.92 40.04 3hta s ASP 165 CO 0.49 -0.38 1.89 -0.08 0.52 0.00 0.00 175.17 177.61 3hta h GLU 166 N 7.67 0.96 -0.43 4.34 4.81 -1.94 -1.13 114.58 128.86 3hta h GLU 166 Ca -0.06 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 3hta h GLU 166 Cb 1.01 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 3hta h GLU 166 CO 0.51 0.74 -0.13 1.49 -0.73 0.00 0.00 179.01 180.89 3hta h GLU 167 N 0.96 0.80 -0.21 1.92 4.57 -1.96 -1.27 114.58 119.40 3hta h GLU 167 Ca 0.24 -0.28 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 3hta h GLU 167 Cb 0.09 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3hta h GLU 167 CO -0.03 0.89 -0.15 -0.92 -1.18 0.00 0.00 179.01 177.62 3hta h TYR 168 N 0.72 0.55 0.00 0.92 3.20 -1.90 -2.17 116.97 118.28 3hta h TYR 168 Ca 0.12 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 3hta h TYR 168 Cb 0.63 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3hta h TYR 168 CO 0.03 0.79 -0.19 0.00 -1.64 0.00 0.00 178.16 177.15 3hta h ALA 169 N 0.67 1.55 -0.05 1.82 0.00 -1.10 -1.26 119.26 120.89 3hta h ALA 169 Ca 0.04 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 3hta h ALA 169 Cb 0.67 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hta h ALA 169 CO 0.04 0.24 -0.73 -0.09 0.00 0.00 0.00 179.25 178.71 3hta h ARG 170 N 0.00 0.31 -0.36 0.00 2.43 -1.10 -2.51 114.38 113.14 3hta h ARG 170 Ca -0.00 -0.26 -0.06 0.00 -0.81 0.00 0.00 59.98 58.85 3hta h ARG 170 Cb 0.37 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3hta h ARG 170 CO 0.02 0.91 -0.01 1.49 -1.51 0.00 0.00 179.97 180.87 3hta h GLU 171 N 0.21 0.65 -0.30 0.20 4.57 -0.60 0.63 114.58 119.95 3hta h GLU 171 Ca -0.03 -0.21 -0.16 0.00 -1.18 0.00 0.00 59.36 57.78 3hta h GLU 171 Cb 1.30 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3hta h GLU 171 CO 0.12 0.76 -0.47 -0.39 -1.18 0.00 0.00 179.01 177.86 3hta h VAL 172 N 0.46 1.29 -0.37 0.32 -1.51 -1.34 -2.10 116.25 113.00 3hta h VAL 172 Ca 0.10 -1.66 -0.13 0.00 -1.23 0.00 0.00 66.70 63.79 3hta h VAL 172 Cb 0.48 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 3hta h VAL 172 CO 0.02 0.54 -0.29 -0.07 -1.23 0.00 0.00 177.57 176.54 3hta h LEU 173 N 0.62 0.81 -1.96 4.19 3.38 -1.40 -1.70 115.31 119.27 3hta h LEU 173 Ca 0.03 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3hta h LEU 173 Cb 1.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3hta h LEU 173 CO 0.10 1.05 -0.09 0.74 0.09 0.00 0.00 178.44 180.32 3hta h THR 174 N 0.67 0.43 0.14 0.22 2.02 -0.74 -0.70 112.91 114.95 3hta h THR 174 Ca 0.08 -0.49 -0.28 0.00 0.77 0.00 0.00 66.41 66.49 3hta h THR 174 Cb 0.82 1.34 0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3hta h THR 174 CO 0.07 0.09 -1.30 0.03 0.37 0.00 0.00 175.52 174.78 3hta h ARG 175 N 0.00 0.30 -0.00 6.66 3.08 -0.66 -3.33 114.38 120.42 3hta h ARG 175 Ca -0.00 -0.51 -0.22 0.00 0.07 0.00 0.00 59.98 59.32 3hta h ARG 175 Cb 0.33 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3hta h ARG 175 CO 0.01 1.23 -0.92 1.25 -1.07 0.00 0.00 179.97 180.48 3hta h LEU 176 N 0.08 0.45 -9.07 3.04 5.85 -0.63 -3.44 115.31 111.60 3hta h LEU 176 Ca -0.16 -0.36 -0.60 0.00 0.84 0.00 0.00 57.88 57.60 3hta h LEU 176 Cb 2.00 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.80 3hta h LEU 176 CO 0.21 1.16 0.29 -0.63 -0.34 0.00 0.00 178.44 179.13 3hta s ILE 177 N -3.26 4.93 0.26 4.05 1.01 -0.33 -4.94 121.20 122.91 3hta s ILE 177 Ca -0.05 1.37 -0.31 0.00 0.00 0.00 0.00 60.65 61.67 3hta s ILE 177 Cb 0.09 -4.03 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 3hta s ILE 177 CO 0.85 0.02 1.63 -2.84 0.00 0.00 0.00 174.94 174.60 3hta s PRO 178 N 2.40 4.13 -0.08 2.79 0.02 -1.26 -4.85 135.00 138.14 3hta s PRO 178 Ca 0.32 2.57 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 3hta s PRO 178 Cb -0.16 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 3hta s PRO 178 CO 0.09 -0.67 1.32 0.08 -0.33 0.00 0.00 177.00 177.49 3hta s VAL 179 N 0.46 4.07 0.22 3.83 1.01 -1.26 -4.96 120.40 123.76 3hta s VAL 179 Ca 0.67 1.36 -0.32 0.00 0.00 0.00 0.00 61.98 63.69 3hta s VAL 179 Cb -0.48 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 31.89 3hta s VAL 179 CO 0.41 -0.06 1.46 -2.65 0.00 0.00 0.00 175.10 174.26 3hta n PRO 180 N 5.97 2.06 0.01 2.72 -0.02 -1.26 -4.92 135.00 139.55 3hta n PRO 180 Ca 0.13 0.74 -0.18 0.00 -2.02 0.00 0.00 63.50 62.17 3hta n PRO 180 Cb 0.45 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 3hta n PRO 180 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hta h ALA 181 N 4.69 0.13 0.00 3.55 0.00 -2.04 -3.56 119.26 122.03 3hta h ALA 181 Ca -0.45 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3hta h ALA 181 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hta h ALA 181 CO 0.79 0.48 0.00 0.25 0.00 0.00 0.00 179.25 180.77