#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 3.72 0.76 1.96 0.11 -1.26 -4.99 120.40 120.70 3hta s VAL -5 Ca 0.00 0.96 -0.15 0.00 -2.93 0.00 0.00 61.98 59.86 3hta s VAL -5 Cb 0.00 -3.62 0.03 0.00 -1.53 0.00 0.00 36.38 31.26 3hta s VAL -5 CO 0.00 -0.06 0.98 -2.65 -3.33 0.00 0.00 175.10 170.04 3hta n PRO -4 N 6.51 0.38 -1.73 1.54 -0.02 -1.26 -4.93 135.00 135.49 3hta n PRO -4 Ca 0.15 0.19 -0.34 0.00 -2.02 0.00 0.00 63.50 61.49 3hta n PRO -4 Cb 0.43 -2.24 0.06 0.00 -0.02 0.00 0.00 33.50 31.72 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 -3.52 2.66 0.00 -0.52 0.52 -1.26 -2.67 118.95 114.16 3hta s ARG -3 Ca 0.72 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 57.49 3hta s ARG -3 Cb -0.32 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.23 3hta s ARG -3 CO 0.52 -1.39 0.00 0.41 0.02 0.00 0.00 175.30 174.86 3hta n GLY -2 N -0.09 0.64 0.10 -3.53 0.00 -1.24 -4.90 105.19 96.18 3hta n GLY -2 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3hta n GLY -2 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hta h SER -1 N 0.00 -0.11 0.00 1.61 0.87 -1.87 -3.38 113.55 110.67 3hta h SER -1 Ca 0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3hta h SER -1 Cb 0.08 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 3hta h SER -1 CO 0.00 0.45 -0.72 1.41 -0.53 0.00 0.00 176.83 177.44 3hta n HIS 0 N -4.88 0.00 -3.67 2.24 8.25 -1.26 -5.05 115.22 110.84 3hta n HIS 0 Ca -0.08 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.31 3hta n HIS 0 Cb 0.28 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.34 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 -2.29 1.28 0.47 -0.41 0.00 -1.26 -5.14 119.30 111.95 3hta s MET 1 Ca 0.04 -0.64 -0.24 0.00 0.00 0.00 0.00 55.69 54.85 3hta s MET 1 Cb 0.09 0.48 -0.07 0.00 0.00 0.00 0.00 34.83 35.33 3hta s MET 1 CO 0.53 -0.58 1.39 -2.14 0.00 0.00 0.00 175.02 174.21 3hta s PRO 2 N -3.49 3.57 0.39 3.16 0.02 -1.26 -3.59 135.00 133.80 3hta s PRO 2 Ca 0.09 2.32 0.18 0.00 0.02 0.00 0.00 61.00 63.60 3hta s PRO 2 Cb -0.02 -2.55 1.09 0.00 0.02 0.00 0.00 34.50 33.04 3hta s PRO 2 CO -0.01 -0.88 1.77 0.00 -0.33 0.00 0.00 177.00 177.55 3hta h ARG 3 N 2.11 0.40 0.00 5.54 3.08 -1.94 -1.32 114.38 122.25 3hta h ARG 3 Ca -0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.52 3hta h ARG 3 Cb 1.27 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3hta h ARG 3 CO 0.60 0.26 0.00 0.07 -1.07 0.00 0.00 179.97 179.83 3hta h ARG 4 N 0.41 0.00 -0.02 0.04 0.11 -2.01 -2.89 114.38 110.03 3hta h ARG 4 Ca 0.59 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.67 3hta h ARG 4 Cb 1.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.54 3hta h ARG 4 CO -0.30 0.00 -0.28 0.72 0.10 0.00 0.00 179.97 180.22 3hta n HIS 5 N -2.72 0.00 -2.40 4.08 8.25 -0.50 -4.84 115.22 117.10 3hta n HIS 5 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 3hta n HIS 5 Cb 0.20 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.35 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 -1.95 5.33 0.60 0.41 3.84 -1.09 -4.96 116.67 118.86 3hta s ASP 6 Ca 0.17 0.53 0.38 0.00 -0.00 0.00 0.00 52.55 53.64 3hta s ASP 6 Cb 0.15 -1.43 2.10 0.00 -1.38 0.00 0.00 42.92 42.36 3hta s ASP 6 CO 0.40 -1.21 2.18 1.55 -0.00 0.00 0.00 175.17 178.08 3hta h PRO 7 N -0.25 0.00 0.00 2.11 0.13 -1.95 -2.08 132.00 129.97 3hta h PRO 7 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 3hta h PRO 7 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 3hta h PRO 7 CO 0.59 0.00 -0.62 0.93 -0.23 0.00 0.00 178.00 178.67 3hta h GLU 8 N 0.00 0.00 0.05 0.86 4.39 -1.93 -0.96 114.58 116.99 3hta h GLU 8 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 3hta h GLU 8 Cb 0.07 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3hta h GLU 8 CO 0.00 0.62 -1.08 -0.09 -1.16 0.00 0.00 179.01 177.31 3hta h ARG 9 N 0.00 0.48 -0.73 2.33 9.65 -1.59 -2.33 114.38 122.19 3hta h ARG 9 Ca -0.01 -0.58 -0.01 0.00 -1.10 0.00 0.00 59.98 58.28 3hta h ARG 9 Cb 1.11 0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 29.84 3hta h ARG 9 CO 0.08 1.22 0.40 -0.09 2.80 0.00 0.00 179.97 184.38 3hta h ARG 10 N 0.24 1.01 -0.22 0.20 2.43 -1.32 -2.30 114.38 114.43 3hta h ARG 10 Ca -0.12 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 58.84 3hta h ARG 10 Cb 1.74 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 3hta h ARG 10 CO 0.19 0.75 -0.25 0.37 -1.51 0.00 0.00 179.97 179.52 3hta h GLN 11 N 1.00 0.41 -0.50 0.20 5.75 -1.11 -2.47 115.11 118.39 3hta h GLN 11 Ca 0.26 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 3hta h GLN 11 Cb 0.03 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3hta h GLN 11 CO -0.04 0.64 0.13 -0.09 -2.65 0.00 0.00 178.83 176.81 3hta h ARG 12 N 0.36 0.80 -0.32 1.69 2.43 -0.91 -0.42 114.38 118.01 3hta h ARG 12 Ca 0.05 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 3hta h ARG 12 Cb 0.64 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3hta h ARG 12 CO 0.05 0.77 0.06 0.82 -1.51 0.00 0.00 179.97 180.16 3hta h ILE 13 N 0.69 1.23 -0.31 1.20 2.04 -1.27 -1.38 117.51 119.72 3hta h ILE 13 Ca 0.16 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3hta h ILE 13 Cb 0.33 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3hta h ILE 13 CO 0.00 0.26 0.17 0.40 0.00 0.00 0.00 178.15 178.98 3hta h ILE 14 N 0.36 1.14 -0.99 -0.67 2.04 -1.33 0.97 117.51 119.02 3hta h ILE 14 Ca 0.10 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.68 3hta h ILE 14 Cb 0.34 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 3hta h ILE 14 CO 0.01 0.14 0.63 0.44 0.00 0.00 0.00 178.15 179.36 3hta h ASP 15 N 0.38 0.95 0.22 1.72 3.45 -0.96 0.21 116.42 122.40 3hta h ASP 15 Ca 0.11 0.03 -0.11 0.00 0.43 0.00 0.00 57.03 57.50 3hta h ASP 15 Cb 0.08 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.67 3hta h ASP 15 CO -0.02 0.55 -0.40 0.00 -1.57 0.00 0.00 179.24 177.80 3hta h ALA 16 N 1.50 1.11 -0.50 3.45 0.00 -0.44 -2.31 119.26 122.07 3hta h ALA 16 Ca 0.47 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hta h ALA 16 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hta h ALA 16 CO -0.23 0.59 0.14 0.00 0.00 0.00 0.00 179.25 179.75 3hta h ALA 17 N 1.37 0.65 -0.67 0.00 0.00 0.12 -1.61 119.26 119.12 3hta h ALA 17 Ca 0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3hta h ALA 17 Cb 0.81 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3hta h ALA 17 CO 0.06 0.33 0.17 0.82 0.00 0.00 0.00 179.25 180.63 3hta h ILE 18 N 0.68 1.25 -0.39 0.00 2.04 -1.10 -0.63 117.51 119.35 3hta h ILE 18 Ca 0.16 -0.93 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 3hta h ILE 18 Cb 0.30 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3hta h ILE 18 CO -0.00 0.36 -0.05 0.03 0.00 0.00 0.00 178.15 178.49 3hta h ARG 19 N 1.00 0.66 0.07 2.37 3.08 -1.15 -1.13 114.38 119.27 3hta h ARG 19 Ca 0.21 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hta h ARG 19 Cb 0.35 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3hta h ARG 19 CO 0.00 0.71 -0.03 0.28 -1.07 0.00 0.00 179.97 179.86 3hta h VAL 20 N 0.61 1.13 -0.96 2.04 2.07 -0.79 -1.47 116.25 118.88 3hta h VAL 20 Ca 0.12 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.00 3hta h VAL 20 Cb 0.46 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 3hta h VAL 20 CO 0.02 0.17 0.62 0.58 0.02 0.00 0.00 177.57 178.98 3hta h VAL 21 N -0.40 1.10 0.22 2.57 2.07 -0.99 -0.04 116.25 120.79 3hta h VAL 21 Ca -0.01 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3hta h VAL 21 Cb 0.35 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3hta h VAL 21 CO 0.01 0.21 -0.11 1.23 0.02 0.00 0.00 177.57 178.94 3hta h GLY 22 N 1.15 -0.31 1.62 2.17 0.00 -1.09 -0.26 103.07 106.35 3hta h GLY 22 Ca 0.41 0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.69 3hta h GLY 22 CO -0.16 -0.11 -0.62 1.46 0.00 0.00 0.00 176.54 177.11 3hta h GLN 23 N -0.45 0.39 0.00 4.80 4.20 -0.95 -3.38 115.11 119.72 3hta h GLN 23 Ca -0.03 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 3hta h GLN 23 Cb 0.34 0.04 -0.15 0.00 0.30 0.00 0.00 27.48 28.02 3hta h GLN 23 CO 0.05 0.88 -0.63 0.36 -0.67 0.00 0.00 178.83 178.82 3hta n LYS 24 N -3.89 0.48 -0.77 1.46 2.85 -0.06 -5.10 118.16 113.13 3hta n LYS 24 Ca -0.03 -2.03 0.07 0.00 -1.05 0.00 0.00 58.31 55.27 3hta n LYS 24 Cb 0.64 -0.66 -0.04 0.00 -0.65 0.00 0.00 35.03 34.32 3hta n LYS 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3hta n GLY 25 N -0.23 -3.14 0.33 2.58 0.00 -0.11 -3.41 105.19 101.22 3hta n GLY 25 Ca 0.08 -1.20 0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.53 0.08 -0.04 -0.61 2.10 -1.88 0.24 117.51 116.87 3hta h ILE 26 Ca -0.08 0.00 -0.07 0.00 1.08 0.00 0.00 64.86 65.79 3hta h ILE 26 Cb 0.66 0.96 -0.01 0.00 -1.09 0.00 0.00 36.82 37.35 3hta h ILE 26 CO 0.03 0.00 -0.32 0.00 -1.08 0.00 0.00 178.15 176.78 3hta h ALA 27 N 1.93 1.39 -0.39 0.18 0.00 -1.94 -2.54 119.26 117.89 3hta h ALA 27 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hta h ALA 27 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hta h ALA 27 CO -0.00 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.11 3hta n GLY 28 N -0.53 1.40 3.67 0.00 0.00 0.07 -4.90 105.19 104.91 3hta n GLY 28 Ca -0.02 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.18 4.19 0.19 0.99 2.96 -0.96 -4.76 118.68 120.11 3hta s LEU 29 Ca 0.29 0.96 -0.23 0.00 -0.22 0.00 0.00 54.13 54.93 3hta s LEU 29 Cb 0.17 -2.98 0.05 0.00 0.50 0.00 0.00 46.19 43.94 3hta s LEU 29 CO 0.16 -0.26 0.68 -0.94 -1.32 0.00 0.00 176.35 174.67 3hta s SER 30 N 1.09 -0.42 0.42 3.68 1.04 -1.26 -4.99 113.70 113.26 3hta s SER 30 Ca 0.32 -0.24 0.12 0.00 0.48 0.00 0.00 55.95 56.62 3hta s SER 30 Cb -0.16 0.63 0.97 0.00 0.10 0.00 0.00 66.02 67.56 3hta s SER 30 CO 0.12 -1.08 1.98 0.45 0.98 0.00 0.00 173.24 175.69 3hta h HIS 31 N 2.00 0.50 -0.25 5.02 3.86 -1.98 -0.15 115.15 124.15 3hta h HIS 31 Ca -0.27 0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 58.80 3hta h HIS 31 Cb 1.28 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 3hta h HIS 31 CO 0.31 0.25 -0.46 0.00 0.86 0.00 0.00 177.93 178.89 3hta h ARG 32 N 0.48 0.66 0.00 2.45 3.08 -1.96 0.96 114.38 120.05 3hta h ARG 32 Ca 0.27 -0.37 -0.19 0.00 0.07 0.00 0.00 59.98 59.76 3hta h ARG 32 Cb 0.45 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3hta h ARG 32 CO -0.08 0.99 -1.02 1.79 -1.07 0.00 0.00 179.97 180.58 3hta h THR 33 N 0.53 1.25 -0.13 2.04 1.35 -1.71 -2.78 112.91 113.46 3hta h THR 33 Ca 0.03 -2.87 -0.12 0.00 -0.55 0.00 0.00 66.41 62.90 3hta h THR 33 Cb 1.01 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 3hta h THR 33 CO 0.09 0.71 -0.37 0.58 -0.25 0.00 0.00 175.52 176.29 3hta h VAL 34 N 0.00 1.37 -0.89 6.82 2.07 -1.01 -0.93 116.25 123.67 3hta h VAL 34 Ca -0.06 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 3hta h VAL 34 Cb 1.69 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 33.50 3hta h VAL 34 CO 0.10 0.50 0.52 0.00 0.02 0.00 0.00 177.57 178.70 3hta h ALA 35 N 0.52 1.14 -0.01 1.67 0.00 -0.89 0.21 119.26 121.90 3hta h ALA 35 Ca -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hta h ALA 35 Cb 0.99 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hta h ALA 35 CO 0.08 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.95 3hta h ALA 36 N 1.28 0.01 0.00 0.00 0.00 -1.43 -0.46 119.26 118.66 3hta h ALA 36 Ca 0.32 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hta h ALA 36 Cb -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hta h ALA 36 CO -0.06 -0.39 -0.19 1.49 0.00 0.00 0.00 179.25 180.10 3hta h GLU 37 N -0.20 0.00 -0.01 0.00 4.57 -0.87 -2.00 114.58 116.07 3hta h GLU 37 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hta h GLU 37 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3hta h GLU 37 CO -0.00 0.19 -0.31 0.00 -1.18 0.00 0.00 179.01 177.71 3hta n ALA 38 N -2.32 3.19 -3.60 2.92 0.00 0.03 -4.92 120.51 115.82 3hta n ALA 38 Ca -0.02 -0.45 -0.24 0.00 0.00 0.00 0.00 53.44 52.73 3hta n ALA 38 Cb 0.31 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.54 -4.14 -4.02 0.00 2.03 -0.28 -4.99 116.55 104.61 3hta n ASP 39 Ca 0.11 -0.89 -0.08 0.00 0.52 0.00 0.00 54.79 54.46 3hta n ASP 39 Cb 0.37 -4.00 -0.10 0.00 -0.72 0.00 0.00 41.12 36.68 3hta n ASP 39 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3hta s VAL 40 N -3.53 0.18 0.69 5.18 1.01 -0.59 -5.05 120.40 118.29 3hta s VAL 40 Ca 0.31 -1.46 -0.16 0.00 0.00 0.00 0.00 61.98 60.68 3hta s VAL 40 Cb -0.09 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.15 3hta s VAL 40 CO 0.82 -0.80 1.18 -2.84 0.00 0.00 0.00 175.10 173.46 3hta s PRO 41 N -3.24 2.43 0.18 2.72 0.02 -1.26 -4.55 135.00 131.31 3hta s PRO 41 Ca 0.01 1.67 -0.12 0.00 0.02 0.00 0.00 61.00 62.58 3hta s PRO 41 Cb 0.03 -1.88 0.09 0.00 0.02 0.00 0.00 34.50 32.76 3hta s PRO 41 CO -0.07 -1.59 1.79 1.25 -0.33 0.00 0.00 177.00 178.04 3hta h LEU 42 N -0.04 0.78 -2.45 -5.54 5.85 -1.92 -1.77 115.31 110.22 3hta h LEU 42 Ca -0.48 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.16 3hta h LEU 42 Cb 1.28 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 3hta h LEU 42 CO 0.52 0.66 0.15 1.23 -0.34 0.00 0.00 178.44 180.66 3hta h GLY 43 N 0.85 0.00 1.62 3.75 0.00 -1.98 -0.31 103.07 106.99 3hta h GLY 43 Ca 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.35 3hta h GLY 43 CO -0.03 0.00 -0.85 0.23 0.00 0.00 0.00 176.54 175.89 3hta h SER 44 N 0.00 0.45 -0.03 0.19 0.87 -1.68 -1.50 113.55 111.86 3hta h SER 44 Ca 0.03 -0.33 -0.19 0.00 -1.23 0.00 0.00 61.79 60.07 3hta h SER 44 Cb 0.34 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3hta h SER 44 CO -0.00 1.11 -0.66 0.71 -0.53 0.00 0.00 176.83 177.46 3hta h THR 45 N 0.22 1.31 0.00 2.23 1.35 -1.05 -3.03 112.91 113.95 3hta h THR 45 Ca -0.05 -1.91 -0.06 0.00 -0.55 0.00 0.00 66.41 63.83 3hta h THR 45 Cb 1.46 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 69.75 3hta h THR 45 CO 0.14 0.60 -0.29 0.71 -0.25 0.00 0.00 175.52 176.43 3hta h THR 46 N 0.47 0.69 -0.53 6.82 1.35 -1.43 0.19 112.91 120.46 3hta h THR 46 Ca -0.02 -1.31 -0.11 0.00 -0.55 0.00 0.00 66.41 64.42 3hta h THR 46 Cb 1.24 1.85 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 3hta h THR 46 CO 0.13 0.28 -0.11 0.22 -0.25 0.00 0.00 175.52 175.79 3hta h TYR 47 N 0.00 1.13 0.00 4.73 3.20 -1.15 -2.91 116.97 121.97 3hta h TYR 47 Ca -0.00 -0.24 -0.24 0.00 3.14 0.00 0.00 58.73 61.39 3hta h TYR 47 Cb 0.83 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 3hta h TYR 47 CO 0.00 1.05 -1.51 0.45 -1.64 0.00 0.00 178.16 176.52 3hta h HIS 48 N 0.88 0.00 -2.65 -3.82 3.86 -1.43 -3.43 115.15 108.57 3hta h HIS 48 Ca 0.14 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.77 3hta h HIS 48 Cb 0.68 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.76 3hta h HIS 48 CO 0.05 0.85 -0.83 -0.06 0.86 0.00 0.00 177.93 178.80 3hta s PHE 49 N -2.72 0.85 0.32 2.45 0.40 0.64 -4.98 117.98 114.94 3hta s PHE 49 Ca -0.03 -1.67 0.06 0.00 -0.60 0.00 0.00 56.93 54.68 3hta s PHE 49 Cb 0.08 -1.03 0.71 0.00 0.51 0.00 0.00 43.02 43.29 3hta s PHE 49 CO 0.82 -0.82 1.84 0.00 0.70 0.00 0.00 175.22 177.75 3hta h ALA 50 N 7.07 1.69 -2.10 5.36 0.00 -1.74 -3.37 119.26 126.17 3hta h ALA 50 Ca 0.04 0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.43 3hta h ALA 50 Cb 0.97 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.47 3hta h ALA 50 CO 0.30 0.03 -0.71 0.95 0.00 0.00 0.00 179.25 179.82 3hta s THR 51 N -5.81 2.02 0.33 0.00 -4.23 -1.26 -4.96 115.64 101.73 3hta s THR 51 Ca -0.11 -2.23 0.01 0.00 -1.18 0.00 0.00 61.69 58.18 3hta s THR 51 Cb 0.23 -2.38 0.24 0.00 1.34 0.00 0.00 72.50 71.92 3hta s THR 51 CO 0.80 -0.36 1.97 0.25 -0.54 0.00 0.00 174.62 176.74 3hta h LEU 52 N 2.27 0.74 -0.18 4.79 6.46 -2.00 -2.31 115.31 125.07 3hta h LEU 52 Ca -0.40 -0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.34 3hta h LEU 52 Cb 1.24 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 3hta h LEU 52 CO 0.65 0.58 0.02 0.44 -0.62 0.00 0.00 178.44 179.51 3hta h ASP 53 N 0.85 -0.02 -0.92 1.25 3.45 -1.96 0.48 116.42 119.55 3hta h ASP 53 Ca 0.22 0.03 0.09 0.00 0.43 0.00 0.00 57.03 57.81 3hta h ASP 53 Cb -0.01 0.05 -0.07 0.00 -0.56 0.00 0.00 39.33 38.73 3hta h ASP 53 CO -0.04 0.02 0.59 0.44 -1.57 0.00 0.00 179.24 178.68 3hta h ASP 54 N 0.09 0.85 -0.19 6.45 3.32 -1.79 0.22 116.42 125.37 3hta h ASP 54 Ca 0.08 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3hta h ASP 54 Cb 0.08 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3hta h ASP 54 CO -0.12 0.50 -0.03 0.25 -1.72 0.00 0.00 179.24 178.13 3hta h LEU 55 N 0.94 0.35 -0.72 1.55 6.46 -1.07 -2.45 115.31 120.37 3hta h LEU 55 Ca 0.43 -0.34 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 3hta h LEU 55 Cb 0.38 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 3hta h LEU 55 CO -0.19 0.61 0.16 -0.03 -0.62 0.00 0.00 178.44 178.37 3hta h MET 56 N 0.09 1.13 -0.66 1.25 4.05 0.01 -0.73 114.93 120.07 3hta h MET 56 Ca 0.05 -0.28 0.01 0.00 -0.28 0.00 0.00 59.70 59.20 3hta h MET 56 Cb 0.45 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 3hta h MET 56 CO 0.01 1.00 0.44 0.28 0.23 0.00 0.00 176.91 178.88 3hta h VAL 57 N 1.07 1.16 -0.48 -5.77 2.07 -0.57 0.16 116.25 113.89 3hta h VAL 57 Ca 0.22 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.33 3hta h VAL 57 Cb 0.39 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3hta h VAL 57 CO 0.00 0.16 -0.11 0.00 0.02 0.00 0.00 177.57 177.65 3hta h ALA 58 N 1.25 0.91 -0.51 1.67 0.00 -0.95 -1.69 119.26 119.93 3hta h ALA 58 Ca 0.24 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3hta h ALA 58 Cb -0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hta h ALA 58 CO -0.06 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.71 3hta h ALA 59 N 1.08 0.83 0.04 0.00 0.00 -0.62 -2.71 119.26 117.88 3hta h ALA 59 Ca 0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3hta h ALA 59 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hta h ALA 59 CO 0.04 0.65 -0.02 1.25 0.00 0.00 0.00 179.25 181.18 3hta h LEU 60 N 0.85 -0.05 -1.61 0.00 5.85 -0.42 -0.43 115.31 119.51 3hta h LEU 60 Ca 0.13 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3hta h LEU 60 Cb 0.66 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3hta h LEU 60 CO 0.05 0.12 0.30 0.03 -0.34 0.00 0.00 178.44 178.60 3hta h ARG 61 N -0.21 0.50 -0.16 1.25 3.08 -1.30 0.92 114.38 118.46 3hta h ARG 61 Ca -0.01 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 3hta h ARG 61 Cb 0.19 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.13 3hta h ARG 61 CO 0.01 0.33 -0.74 0.37 -1.07 0.00 0.00 179.97 178.87 3hta h GLN 62 N 0.52 0.76 -0.59 0.04 5.75 -1.33 -3.24 115.11 117.01 3hta h GLN 62 Ca 0.18 -0.60 -0.04 0.00 -0.15 0.00 0.00 58.65 58.04 3hta h GLN 62 Cb 0.08 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3hta h GLN 62 CO -0.04 1.21 0.21 0.00 -2.65 0.00 0.00 178.83 177.56 3hta h ALA 63 N 0.62 0.77 0.00 3.38 0.00 0.31 -2.30 119.26 122.04 3hta h ALA 63 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hta h ALA 63 Cb 1.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hta h ALA 63 CO 0.15 0.42 0.17 -0.91 0.00 0.00 0.00 179.25 179.08 3hta h ASN 64 N 0.83 0.00 0.32 0.00 -0.26 -0.91 0.11 115.58 115.67 3hta h ASN 64 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 3hta h ASN 64 Cb 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 3hta h ASN 64 CO -0.01 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 175.74 3hta n GLU 65 N -2.86 0.02 0.04 0.81 1.02 -0.87 -1.96 120.64 116.85 3hta n GLU 65 Ca -0.02 0.31 -0.10 0.00 -0.02 0.00 0.00 57.16 57.33 3hta n GLU 65 Cb 0.22 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 3hta n GLU 65 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3hta h GLY 66 N 1.69 -0.21 0.90 0.62 0.00 -1.15 -2.34 103.07 102.57 3hta h GLY 66 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 3hta h GLY 66 CO 0.00 -0.08 -0.19 -2.75 0.00 0.00 0.00 176.54 173.52 3hta h PHE 67 N -0.89 0.70 -0.70 5.60 3.57 -1.72 -3.22 116.94 120.28 3hta h PHE 67 Ca -0.02 -0.19 0.09 0.00 3.53 0.00 0.00 57.97 61.38 3hta h PHE 67 Cb 0.52 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.04 3hta h PHE 67 CO 0.09 0.88 0.34 0.00 -2.23 0.00 0.00 178.31 177.39 3hta h ALA 68 N 0.71 0.96 -0.19 2.41 0.00 -1.51 -1.84 119.26 119.81 3hta h ALA 68 Ca 0.05 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hta h ALA 68 Cb 0.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3hta h ALA 68 CO 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 179.25 179.18 3hta h ARG 69 N 0.58 0.28 -0.19 0.00 3.08 -1.43 -0.14 114.38 116.56 3hta h ARG 69 Ca 0.35 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.20 3hta h ARG 69 Cb 0.38 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3hta h ARG 69 CO -0.28 0.35 -0.47 0.28 -1.07 0.00 0.00 179.97 178.78 3hta h VAL 70 N 0.27 1.32 -0.25 2.04 2.07 -1.37 -2.30 116.25 118.03 3hta h VAL 70 Ca 0.06 -1.68 -0.05 0.00 0.82 0.00 0.00 66.70 65.84 3hta h VAL 70 Cb 0.27 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 3hta h VAL 70 CO 0.01 0.52 -0.05 0.58 0.02 0.00 0.00 177.57 178.65 3hta h VAL 71 N 0.40 1.28 0.00 2.57 2.07 -0.70 -2.80 116.25 119.08 3hta h VAL 71 Ca 0.02 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 3hta h VAL 71 Cb 0.98 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3hta h VAL 71 CO 0.09 0.33 -0.07 0.00 0.02 0.00 0.00 177.57 177.93 3hta h ALA 72 N 0.77 1.24 0.00 1.67 0.00 -0.99 0.01 119.26 121.96 3hta h ALA 72 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hta h ALA 72 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3hta h ALA 72 CO 0.02 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3hta n ALA 73 N -2.24 2.34 -3.26 0.00 0.00 -0.87 -3.84 120.51 112.64 3hta n ALA 73 Ca -0.02 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 3hta n ALA 73 Cb 0.20 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.27 3.76 0.28 0.00 8.25 -0.01 -4.88 115.22 121.36 3hta n HIS 74 Ca 0.13 -4.08 0.07 0.00 -0.26 0.00 0.00 57.72 53.58 3hta n HIS 74 Cb 0.21 -0.55 0.32 0.00 1.12 0.00 0.00 29.99 31.08 3hta n HIS 74 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3hta n PRO 75 N 0.51 0.07 0.05 -0.41 -0.04 -1.25 -1.77 135.00 132.15 3hta n PRO 75 Ca 0.30 0.43 0.04 0.00 -0.04 0.00 0.00 63.50 64.23 3hta n PRO 75 Cb 0.40 -1.67 0.20 0.00 -0.04 0.00 0.00 33.50 32.39 3hta n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hta n ALA 76 N -1.61 1.07 -0.21 0.55 0.00 -1.26 -1.68 120.51 117.37 3hta n ALA 76 Ca 0.01 0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 3hta n ALA 76 Cb 0.11 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.47 3hta n ALA 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hta h LEU 77 N 0.00 1.00 0.00 0.00 4.07 -1.71 -3.09 115.31 115.58 3hta h LEU 77 Ca 0.00 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.67 3hta h LEU 77 Cb 0.03 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.50 3hta h LEU 77 CO 0.00 1.04 -0.09 0.77 -1.08 0.00 0.00 178.44 179.08 3hta h SER 78 N 0.93 0.00 -2.85 -0.43 4.64 -1.57 -3.45 113.55 110.82 3hta h SER 78 Ca 0.18 -0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.89 3hta h SER 78 Cb 0.50 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.68 3hta h SER 78 CO 0.02 0.01 0.53 -0.67 -0.87 0.00 0.00 176.83 175.85 3hta n ASP 79 N -2.47 2.60 0.03 4.97 -0.08 -1.17 -4.85 116.55 115.58 3hta n ASP 79 Ca 0.05 1.17 0.15 0.00 -1.51 0.00 0.00 54.79 54.65 3hta n ASP 79 Cb 0.46 -1.43 0.63 0.00 2.34 0.00 0.00 41.12 43.12 3hta n ASP 79 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hta h PRO 80 N 3.46 0.11 -0.48 -0.67 0.13 -1.90 -1.09 132.00 131.55 3hta h PRO 80 Ca -0.45 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 3hta h PRO 80 Cb 1.29 -0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.28 3hta h PRO 80 CO 0.70 0.07 0.10 0.39 -0.23 0.00 0.00 178.00 179.04 3hta n GLU 81 N -4.44 2.50 -1.83 0.86 1.02 -1.26 -5.03 120.64 112.46 3hta n GLU 81 Ca 0.07 -3.06 -0.39 0.00 -0.02 0.00 0.00 57.16 53.76 3hta n GLU 81 Cb 0.42 -1.94 0.02 0.00 -0.02 0.00 0.00 31.44 29.92 3hta n GLU 81 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hta s ALA 82 N -3.11 3.16 -1.11 0.62 0.00 -0.42 -4.92 121.76 115.98 3hta s ALA 82 Ca 0.48 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.67 3hta s ALA 82 Cb 0.41 -3.57 0.12 0.00 0.00 0.00 0.00 23.12 20.07 3hta s ALA 82 CO 0.06 -1.19 1.40 0.34 0.00 0.00 0.00 175.76 176.38 3hta s ASP 83 N -0.62 6.81 0.13 0.00 2.15 -1.26 -4.88 116.67 119.00 3hta s ASP 83 Ca 0.63 -2.38 -0.21 0.00 0.43 0.00 0.00 52.55 51.02 3hta s ASP 83 Cb -0.42 -2.46 -0.01 0.00 -0.30 0.00 0.00 42.92 39.73 3hta s ASP 83 CO 0.54 -1.04 1.68 -0.07 -0.17 0.00 0.00 175.17 176.11 3hta h LEU 84 N 10.92 -0.38 0.32 -1.34 3.38 -1.92 -1.67 115.31 124.62 3hta h LEU 84 Ca 0.28 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 3hta h LEU 84 Cb 0.94 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 3hta h LEU 84 CO 1.27 -0.15 -0.17 0.28 0.09 0.00 0.00 178.44 179.76 3hta h SER 85 N -0.12 -0.41 -0.17 -0.43 0.02 -1.89 0.18 113.55 110.73 3hta h SER 85 Ca 0.11 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3hta h SER 85 Cb 0.27 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3hta h SER 85 CO -0.25 -0.28 -0.16 1.23 -1.14 0.00 0.00 176.83 176.22 3hta h GLY 86 N -0.45 0.63 0.99 -3.77 0.00 -1.88 -1.06 103.07 97.53 3hta h GLY 86 Ca -0.04 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 3hta h GLY 86 CO 0.06 0.44 -0.50 -2.09 0.00 0.00 0.00 176.54 174.44 3hta h GLU 87 N 0.53 0.66 -0.14 4.80 4.57 -1.21 -1.26 114.58 122.53 3hta h GLU 87 Ca 0.09 -0.47 -0.10 0.00 -1.18 0.00 0.00 59.36 57.70 3hta h GLU 87 Cb 0.59 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 3hta h GLU 87 CO 0.04 1.09 -0.37 -0.07 -1.18 0.00 0.00 179.01 178.52 3hta h LEU 88 N 0.35 0.30 -0.58 1.64 3.38 -0.55 -0.58 115.31 119.26 3hta h LEU 88 Ca -0.01 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3hta h LEU 88 Cb 1.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3hta h LEU 88 CO 0.11 0.65 -0.55 0.00 0.09 0.00 0.00 178.44 178.73 3hta h ALA 89 N 1.37 0.77 -0.37 1.53 0.00 -1.11 -2.36 119.26 119.09 3hta h ALA 89 Ca 0.03 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3hta h ALA 89 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hta h ALA 89 CO 0.06 0.69 -0.25 -0.09 0.00 0.00 0.00 179.25 179.66 3hta h ARG 90 N 0.34 0.76 -0.62 0.00 9.65 -0.84 -2.06 114.38 121.62 3hta h ARG 90 Ca 0.01 -0.32 -0.02 0.00 -1.10 0.00 0.00 59.98 58.55 3hta h ARG 90 Cb 1.08 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.60 3hta h ARG 90 CO 0.10 0.93 0.32 0.28 2.80 0.00 0.00 179.97 184.40 3hta h VAL 91 N 0.66 1.20 0.40 0.20 2.07 -0.88 -2.15 116.25 117.74 3hta h VAL 91 Ca 0.09 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3hta h VAL 91 Cb 0.76 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3hta h VAL 91 CO 0.06 0.23 -0.20 -0.07 0.02 0.00 0.00 177.57 177.61 3hta h LEU 92 N 0.84 -0.47 -1.15 2.57 4.07 -1.15 -1.61 115.31 118.41 3hta h LEU 92 Ca 0.22 0.02 0.22 0.00 0.08 0.00 0.00 57.88 58.42 3hta h LEU 92 Cb 0.07 0.12 -0.10 0.00 1.08 0.00 0.00 40.66 41.83 3hta h LEU 92 CO -0.03 -0.33 0.62 1.23 -1.08 0.00 0.00 178.44 178.85 3hta h GLY 93 N -0.54 1.58 0.82 0.83 0.00 -1.19 0.23 103.07 104.80 3hta h GLY 93 Ca -0.05 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 3hta h GLY 93 CO 0.08 -0.12 -0.25 0.83 0.00 0.00 0.00 176.54 177.08 3hta h GLU 94 N 0.59 0.47 0.46 4.80 5.08 -1.02 -0.75 114.58 124.21 3hta h GLU 94 Ca 0.59 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 3hta h GLU 94 Cb 1.16 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3hta h GLU 94 CO -0.36 0.87 -0.22 2.35 -1.00 0.00 0.00 179.01 180.64 3hta h TRP 95 N 0.12 -0.58 -0.52 4.33 7.01 -0.31 -2.89 115.95 123.11 3hta h TRP 95 Ca 0.02 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.10 3hta h TRP 95 Cb 0.82 0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 28.04 3hta h TRP 95 CO 0.09 -0.27 0.36 -0.07 -2.79 0.00 0.00 178.44 175.76 3hta h LEU 96 N -0.85 0.26 -0.45 0.65 4.07 -0.66 -1.70 115.31 116.62 3hta h LEU 96 Ca -0.06 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3hta h LEU 96 Cb 0.57 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.26 3hta h LEU 96 CO 0.10 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 178.23 3hta n GLY 97 N -1.55 -0.50 0.00 0.83 0.00 -0.29 -4.81 105.19 98.88 3hta n GLY 97 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.99 -1.08 3.64 -0.02 0.00 -0.64 -4.89 105.19 103.20 3hta n GLY 98 Ca 0.18 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.02 6.23 0.55 1.61 -1.08 -1.26 -4.84 116.67 116.86 3hta s ASP 99 Ca 0.00 2.13 0.23 0.00 -0.52 0.00 0.00 52.55 54.39 3hta s ASP 99 Cb 0.00 -2.53 1.49 0.00 -1.46 0.00 0.00 42.92 40.42 3hta s ASP 99 CO 0.00 -1.31 2.13 -0.09 0.52 0.00 0.00 175.17 176.42 3hta h ARG 100 N 11.53 0.00 -0.63 4.34 9.65 -1.90 -1.01 114.38 136.36 3hta h ARG 100 Ca -0.42 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.40 3hta h ARG 100 Cb 1.21 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.76 3hta h ARG 100 CO 0.96 0.00 0.15 1.15 2.80 0.00 0.00 179.97 185.04 3hta h THR 101 N 0.00 1.25 -0.28 0.20 2.02 -1.99 0.85 112.91 114.95 3hta h THR 101 Ca 0.07 -0.90 -0.14 0.00 0.77 0.00 0.00 66.41 66.21 3hta h THR 101 Cb 0.31 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3hta h THR 101 CO -0.00 0.34 -0.37 1.23 0.37 0.00 0.00 175.52 177.09 3hta h GLY 102 N 1.04 0.82 1.02 2.16 0.00 -1.58 -2.02 103.07 104.51 3hta h GLY 102 Ca 0.20 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 3hta h GLY 102 CO 0.00 0.80 0.51 -2.08 0.00 0.00 0.00 176.54 175.77 3hta h VAL 103 N 0.50 1.25 -0.08 4.60 2.07 -1.13 -0.79 116.25 122.67 3hta h VAL 103 Ca 0.03 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3hta h VAL 103 Cb 0.96 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3hta h VAL 103 CO 0.09 0.27 0.00 -0.33 0.02 0.00 0.00 177.57 177.62 3hta h GLU 104 N 1.22 0.13 -0.04 1.57 5.08 -0.71 -0.44 114.58 121.40 3hta h GLU 104 Ca 0.31 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 3hta h GLU 104 Cb -0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hta h GLU 104 CO -0.05 0.39 -0.37 1.37 -1.00 0.00 0.00 179.01 179.35 3hta h LEU 105 N -0.15 0.07 -0.07 1.33 8.10 -1.26 0.34 115.31 123.68 3hta h LEU 105 Ca 0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 3hta h LEU 105 Cb 0.33 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.53 3hta h LEU 105 CO 0.00 0.44 0.00 -0.33 -4.11 0.00 0.00 178.44 174.45 3hta h GLU 106 N 0.06 0.12 -0.25 0.17 5.08 -0.98 -1.82 114.58 116.96 3hta h GLU 106 Ca 0.01 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 3hta h GLU 106 Cb 0.69 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3hta h GLU 106 CO 0.05 0.38 -0.42 -0.92 -1.00 0.00 0.00 179.01 177.10 3hta h TYR 107 N -0.15 0.74 -0.16 4.33 -0.00 -0.73 -2.55 116.97 118.45 3hta h TYR 107 Ca 0.02 -0.22 0.02 0.00 -0.00 0.00 0.00 58.73 58.55 3hta h TYR 107 Cb 0.32 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 36.87 3hta h TYR 107 CO 0.03 0.93 0.02 1.49 -0.00 0.00 0.00 178.16 180.63 3hta h GLU 108 N 0.50 0.08 -0.79 1.82 4.81 -0.25 0.13 114.58 120.87 3hta h GLU 108 Ca 0.04 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3hta h GLU 108 Cb 0.94 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 3hta h GLU 108 CO 0.08 0.05 0.46 -0.07 -0.73 0.00 0.00 179.01 178.80 3hta h LEU 109 N 0.09 0.97 -0.13 1.64 3.38 -1.28 -1.42 115.31 118.55 3hta h LEU 109 Ca 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hta h LEU 109 Cb 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3hta h LEU 109 CO -0.11 0.76 0.04 0.22 0.09 0.00 0.00 178.44 179.44 3hta h TYR 110 N 1.10 0.21 0.00 1.13 3.20 -0.94 -2.94 116.97 118.73 3hta h TYR 110 Ca 0.28 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3hta h TYR 110 Cb -0.01 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3hta h TYR 110 CO 0.01 0.34 0.00 -0.07 -1.64 0.00 0.00 178.16 176.79 3hta h LEU 111 N 0.02 0.00 -0.66 2.82 3.38 -0.59 -3.09 115.31 117.19 3hta h LEU 111 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hta h LEU 111 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hta h LEU 111 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3hta n ALA 112 N -1.82 1.33 0.41 1.53 0.00 -0.55 -1.43 120.51 119.99 3hta n ALA 112 Ca 0.03 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3hta n ALA 112 Cb 0.29 -1.26 0.49 0.00 0.00 0.00 0.00 19.45 18.97 3hta n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hta n ALA 113 N -1.67 1.72 -0.21 0.00 0.00 -1.17 -2.85 120.51 116.33 3hta n ALA 113 Ca 0.01 0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.54 3hta n ALA 113 Cb 0.11 -1.40 0.13 0.00 0.00 0.00 0.00 19.45 18.29 3hta n ALA 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hta h LEU 114 N 0.00 0.14 -0.78 0.00 5.85 -1.51 -3.19 115.31 115.82 3hta h LEU 114 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3hta h LEU 114 Cb 0.40 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3hta h LEU 114 CO 0.00 0.07 -0.11 0.54 -0.34 0.00 0.00 178.44 178.60 3hta n ARG 115 N -5.06 1.90 -3.52 1.25 5.12 -1.21 -4.88 116.66 110.25 3hta n ARG 115 Ca 0.10 -0.57 -0.42 0.00 -1.93 0.00 0.00 57.85 55.04 3hta n ARG 115 Cb 0.33 -1.00 -0.07 0.00 -1.16 0.00 0.00 32.46 30.55 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 -0.98 2.70 0.50 5.56 3.00 -1.13 -4.96 118.95 123.64 3hta s ARG 116 Ca 0.06 -1.98 0.30 0.00 0.00 0.00 0.00 55.73 54.11 3hta s ARG 116 Cb 0.05 -4.00 1.40 0.00 0.00 0.00 0.00 34.95 32.40 3hta s ARG 116 CO 0.15 -1.22 1.81 -1.35 0.00 0.00 0.00 175.30 174.69 3hta h PRO 117 N 8.17 0.12 0.00 3.54 0.11 -1.90 -0.82 132.00 141.22 3hta h PRO 117 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 3hta h PRO 117 Cb 1.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hta h PRO 117 CO 0.84 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 3hta h ALA 118 N 1.50 1.00 0.00 -0.75 0.00 -1.93 -2.96 119.26 116.13 3hta h ALA 118 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3hta h ALA 118 Cb 1.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3hta h ALA 118 CO -0.10 0.00 -1.06 1.28 0.00 0.00 0.00 179.25 179.37 3hta n LEU 119 N -2.50 0.63 0.06 0.00 4.77 -0.31 -4.42 117.00 115.22 3hta n LEU 119 Ca 0.02 -0.12 -0.12 0.00 -0.03 0.00 0.00 56.01 55.75 3hta n LEU 119 Cb 0.26 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3hta n LEU 119 CO 0.22 0.09 0.84 0.03 -1.33 0.00 0.00 177.39 177.24 3hta h ARG 120 N 0.00 -0.05 -0.31 3.23 3.08 -1.58 -1.65 114.38 117.10 3hta h ARG 120 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 3hta h ARG 120 Cb 0.68 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3hta h ARG 120 CO 0.00 -0.00 0.23 -1.00 -1.07 0.00 0.00 179.97 178.13 3hta h PRO 121 N -0.08 0.00 -0.05 0.04 0.13 -1.77 0.29 132.00 130.56 3hta h PRO 121 Ca -0.01 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.98 3hta h PRO 121 Cb 0.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 3hta h PRO 121 CO 0.01 0.00 -0.61 0.28 -0.23 0.00 0.00 178.00 177.45 3hta h VAL 122 N 0.00 1.40 -0.12 1.56 2.07 -1.66 -1.23 116.25 118.27 3hta h VAL 122 Ca 0.15 -2.02 -0.13 0.00 0.82 0.00 0.00 66.70 65.53 3hta h VAL 122 Cb 0.61 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3hta h VAL 122 CO -0.00 0.59 -0.42 0.00 0.02 0.00 0.00 177.57 177.76 3hta h ALA 123 N 1.25 0.21 -0.97 1.67 0.00 0.33 -1.76 119.26 119.99 3hta h ALA 123 Ca -0.01 -0.47 0.08 0.00 0.00 0.00 0.00 54.91 54.51 3hta h ALA 123 Cb 1.10 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 3hta h ALA 123 CO 0.09 0.33 0.61 0.00 0.00 0.00 0.00 179.25 180.29 3hta h ALA 124 N 0.50 1.37 -0.46 0.00 0.00 -0.56 0.45 119.26 120.56 3hta h ALA 124 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hta h ALA 124 Cb 1.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3hta h ALA 124 CO 0.09 0.35 0.27 1.49 0.00 0.00 0.00 179.25 181.45 3hta h GLU 125 N 1.08 0.63 -0.25 0.00 4.81 -1.11 -1.04 114.58 118.70 3hta h GLU 125 Ca 0.43 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3hta h GLU 125 Cb 0.24 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3hta h GLU 125 CO -0.20 0.48 0.16 2.35 -0.73 0.00 0.00 179.01 181.08 3hta h TRP 126 N 0.61 0.33 -0.21 0.92 2.91 -0.24 -0.08 115.95 120.18 3hta h TRP 126 Ca 0.16 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.23 3hta h TRP 126 Cb 0.02 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.52 3hta h TRP 126 CO -0.03 0.22 -0.04 0.00 -1.03 0.00 0.00 178.44 177.57 3hta h ALA 127 N 1.07 0.15 -0.85 2.65 0.00 -0.66 0.74 119.26 122.37 3hta h ALA 127 Ca 0.09 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3hta h ALA 127 Cb -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3hta h ALA 127 CO -0.02 -0.46 0.56 0.93 0.00 0.00 0.00 179.25 180.25 3hta h GLU 128 N 0.02 1.08 -0.71 0.00 5.08 -0.88 -0.01 114.58 119.16 3hta h GLU 128 Ca 0.10 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3hta h GLU 128 Cb 0.15 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3hta h GLU 128 CO -0.20 0.72 0.26 0.78 -1.00 0.00 0.00 179.01 179.56 3hta h GLY 129 N 1.11 1.16 0.88 -3.84 0.00 -0.19 -0.18 103.07 102.02 3hta h GLY 129 Ca 0.32 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 3hta h GLY 129 CO -0.09 0.61 -0.16 -2.08 0.00 0.00 0.00 176.54 174.83 3hta h VAL 130 N 1.03 1.31 -0.35 4.60 2.07 -0.43 -3.20 116.25 121.28 3hta h VAL 130 Ca 0.23 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.51 3hta h VAL 130 Cb 0.25 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3hta h VAL 130 CO -0.01 0.40 0.17 1.23 0.02 0.00 0.00 177.57 179.37 3hta h GLY 131 N 0.28 0.47 1.06 2.17 0.00 -0.74 -1.39 103.07 104.93 3hta h GLY 131 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3hta h GLY 131 CO 0.04 0.09 0.38 0.00 0.00 0.00 0.00 176.54 177.05 3hta h ALA 132 N 1.19 1.30 0.00 3.60 0.00 -1.02 0.17 119.26 124.50 3hta h ALA 132 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hta h ALA 132 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hta h ALA 132 CO -0.11 -0.30 -0.08 1.25 0.00 0.00 0.00 179.25 180.01 3hta h LEU 133 N 0.00 0.00 -1.23 0.00 5.85 -1.30 -3.25 115.31 115.38 3hta h LEU 133 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hta h LEU 133 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3hta h LEU 133 CO 0.00 0.08 -0.15 0.00 -0.34 0.00 0.00 178.44 178.03 3hta n LEU 134 N -4.42 0.00 0.26 2.25 -0.00 0.38 -4.86 117.00 110.61 3hta n LEU 134 Ca -0.03 -0.38 -0.18 0.00 -0.00 0.00 0.00 56.01 55.42 3hta n LEU 134 Cb 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.48 3hta n LEU 134 CO 0.35 0.15 0.54 0.00 -0.00 0.00 0.00 177.39 178.43 3hta h ALA 135 N 0.00 -1.08 -0.34 1.47 0.00 -0.97 -2.99 119.26 115.35 3hta h ALA 135 Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3hta h ALA 135 Cb 1.12 0.73 -0.08 0.00 0.00 0.00 0.00 17.79 19.57 3hta h ALA 135 CO 0.00 -1.15 -0.54 0.00 0.00 0.00 0.00 179.25 177.55 3hta h ALA 136 N -0.76 -0.78 0.00 0.00 0.00 -1.87 -2.19 119.26 113.66 3hta h ALA 136 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hta h ALA 136 Cb 0.84 1.08 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3hta h ALA 136 CO -0.10 -1.05 0.00 2.89 0.00 0.00 0.00 179.25 181.00 3hta n ARG 137 N -5.39 0.91 0.00 0.00 1.85 -1.23 -4.81 116.66 107.98 3hta n ARG 137 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 3hta n ARG 137 Cb 0.35 -1.04 0.00 0.00 -1.05 0.00 0.00 32.46 30.72 3hta n ARG 137 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3hta n THR 138 N -0.54 0.00 -4.14 8.89 -2.24 -0.82 -5.10 114.28 110.33 3hta n THR 138 Ca 0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 3hta n THR 138 Cb 0.01 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.14 3hta n THR 138 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3hta s ASP 139 N 1.00 0.52 0.23 3.42 1.47 -1.25 -5.02 116.67 117.03 3hta s ASP 139 Ca 0.00 -1.11 -0.07 0.00 1.18 0.00 0.00 52.55 52.55 3hta s ASP 139 Cb 0.00 0.23 0.36 0.00 -0.34 0.00 0.00 42.92 43.17 3hta s ASP 139 CO 0.00 -0.65 1.74 -0.65 0.68 0.00 0.00 175.17 176.29 3hta h PRO 140 N 2.96 0.44 -0.31 2.11 0.11 -1.97 0.11 132.00 135.45 3hta h PRO 140 Ca -0.35 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 3hta h PRO 140 Cb 1.18 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3hta h PRO 140 CO 0.62 0.29 0.11 1.15 -0.21 0.00 0.00 178.00 179.96 3hta h THR 141 N 0.45 1.19 -0.87 -1.15 2.02 -1.98 -0.12 112.91 112.45 3hta h THR 141 Ca 0.36 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3hta h THR 141 Cb 0.47 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3hta h THR 141 CO -0.34 0.21 0.44 0.74 0.37 0.00 0.00 175.52 176.94 3hta h THR 142 N 0.35 1.26 -0.08 3.16 2.02 -1.72 -1.68 112.91 116.21 3hta h THR 142 Ca 0.10 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 3hta h THR 142 Cb 0.22 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3hta h THR 142 CO -0.01 0.30 0.00 0.00 0.37 0.00 0.00 175.52 176.19 3hta h ALA 143 N 1.26 0.11 0.00 6.16 0.00 -0.42 -2.25 119.26 124.11 3hta h ALA 143 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hta h ALA 143 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hta h ALA 143 CO -0.04 -0.22 0.00 0.07 0.00 0.00 0.00 179.25 179.06 3hta h ARG 144 N -0.13 0.00 0.00 0.00 0.11 -0.98 -3.22 114.38 110.16 3hta h ARG 144 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 3hta h ARG 144 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 3hta h ARG 144 CO 0.00 0.00 -0.84 0.00 0.10 0.00 0.00 179.97 179.23 3hta h ALA 145 N 2.28 0.56 -0.52 0.08 0.00 -1.20 -3.39 119.26 117.06 3hta h ALA 145 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3hta h ALA 145 Cb 0.68 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 3hta h ALA 145 CO 0.00 0.00 0.02 1.25 0.00 0.00 0.00 179.25 180.52 3hta h LEU 146 N 0.00 -0.19 -0.94 0.00 5.85 -1.41 -1.14 115.31 117.49 3hta h LEU 146 Ca 0.00 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3hta h LEU 146 Cb 0.96 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3hta h LEU 146 CO 0.00 -0.07 0.36 -0.37 -0.34 0.00 0.00 178.44 178.03 3hta h VAL 147 N 0.13 1.25 -0.64 1.05 -1.51 -1.80 -0.65 116.25 114.07 3hta h VAL 147 Ca 0.27 -0.71 -0.02 0.00 -1.23 0.00 0.00 66.70 65.01 3hta h VAL 147 Cb 0.40 0.26 -0.03 0.00 -2.13 0.00 0.00 31.29 29.79 3hta h VAL 147 CO -0.42 0.30 0.33 0.00 -1.23 0.00 0.00 177.57 176.54 3hta h ALA 148 N 1.28 0.83 -0.36 5.19 0.00 -1.55 0.89 119.26 125.53 3hta h ALA 148 Ca 0.27 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3hta h ALA 148 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hta h ALA 148 CO -0.03 0.37 -0.12 0.28 0.00 0.00 0.00 179.25 179.74 3hta h VAL 149 N 0.88 1.28 0.05 0.00 2.07 -0.99 -0.85 116.25 118.70 3hta h VAL 149 Ca 0.22 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3hta h VAL 149 Cb 0.08 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3hta h VAL 149 CO -0.03 0.40 -0.02 -0.07 0.02 0.00 0.00 177.57 177.87 3hta h LEU 150 N 0.51 -0.06 -0.58 2.57 4.07 -0.72 -2.24 115.31 118.87 3hta h LEU 150 Ca 0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 3hta h LEU 150 Cb 0.65 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.38 3hta h LEU 150 CO 0.04 0.18 0.32 0.44 -1.08 0.00 0.00 178.44 178.34 3hta h ASP 151 N -0.29 0.72 -0.59 -0.43 3.32 0.80 -2.27 116.42 117.68 3hta h ASP 151 Ca -0.01 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.01 3hta h ASP 151 Cb 0.26 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 3hta h ASP 151 CO 0.01 0.61 0.31 1.23 -1.72 0.00 0.00 179.24 179.67 3hta h GLY 152 N 0.78 0.85 1.33 2.75 0.00 -1.10 0.36 103.07 108.05 3hta h GLY 152 Ca 0.20 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3hta h GLY 152 CO -0.03 0.11 0.05 -2.22 0.00 0.00 0.00 176.54 174.45 3hta h ILE 153 N 0.57 1.24 -0.05 2.60 2.04 -1.18 -0.15 117.51 122.58 3hta h ILE 153 Ca 0.27 -0.94 -0.11 0.00 1.00 0.00 0.00 64.86 65.08 3hta h ILE 153 Cb 0.19 0.79 0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3hta h ILE 153 CO -0.19 0.34 -0.42 0.00 0.00 0.00 0.00 178.15 177.88 3hta h LEU 155 N -0.14 0.08 -0.99 0.00 5.85 -0.23 0.16 115.31 120.03 3hta h LEU 155 Ca -0.04 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3hta h LEU 155 Cb 1.10 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3hta h LEU 155 CO 0.08 0.12 -0.48 -0.61 -0.34 0.00 0.00 178.44 177.22 3hta h GLN 156 N 0.08 0.00 0.00 1.25 4.15 -0.91 -2.11 115.11 117.58 3hta h GLN 156 Ca 0.02 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 3hta h GLN 156 Cb 0.11 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3hta h GLN 156 CO 0.00 0.48 -0.41 0.28 -1.93 0.00 0.00 178.83 177.25 3hta h VAL 157 N 0.00 0.54 -0.17 2.39 2.07 -0.82 -3.36 116.25 116.89 3hta h VAL 157 Ca -0.00 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 3hta h VAL 157 Cb 0.89 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3hta h VAL 157 CO 0.06 0.18 -0.05 -0.07 0.02 0.00 0.00 177.57 177.71 3hta h LEU 158 N -1.00 0.24 0.00 2.57 3.38 -0.85 -2.73 115.31 116.92 3hta h LEU 158 Ca -0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3hta h LEU 158 Cb 0.61 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hta h LEU 158 CO -0.04 0.33 -0.62 0.18 0.09 0.00 0.00 178.44 178.37 3hta n LEU 159 N -4.34 0.58 0.00 1.67 4.32 -0.79 -4.37 117.00 114.07 3hta n LEU 159 Ca -0.00 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 3hta n LEU 159 Cb 0.21 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 3hta n LEU 159 CO 0.37 0.09 0.26 0.35 -1.22 0.00 0.00 177.39 177.24 3hta n THR 160 N -1.68 0.27 -3.22 -5.08 -2.24 -1.22 -5.01 114.28 96.11 3hta n THR 160 Ca 0.04 -0.43 -0.18 0.00 -2.27 0.00 0.00 64.05 61.21 3hta n THR 160 Cb 0.37 1.08 0.05 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.14 -5.27 -4.83 3.42 8.00 -1.05 -5.01 116.55 111.68 3hta n ASP 161 Ca 0.00 -0.36 -0.37 0.00 0.71 0.00 0.00 54.79 54.76 3hta n ASP 161 Cb 0.22 -3.93 -0.06 0.00 -0.02 0.00 0.00 41.12 37.33 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 -3.19 5.25 0.67 -3.53 2.01 -1.12 -5.06 115.64 110.66 3hta s THR 162 Ca 0.40 0.57 -0.16 0.00 0.31 0.00 0.00 61.69 62.80 3hta s THR 162 Cb -0.17 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3hta s THR 162 CO 0.49 0.56 1.18 -2.84 -0.69 0.00 0.00 174.62 173.32 3hta s PRO 163 N -0.76 2.58 0.29 4.92 0.02 -1.26 -4.64 135.00 136.14 3hta s PRO 163 Ca 0.19 1.69 -0.29 0.00 0.02 0.00 0.00 61.00 62.61 3hta s PRO 163 Cb -0.14 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 3hta s PRO 163 CO 0.08 -1.48 1.05 -0.47 -0.33 0.00 0.00 177.00 175.85 3hta s TYR 164 N -1.95 3.65 -0.36 6.54 5.04 -1.26 -4.93 117.35 124.08 3hta s TYR 164 Ca 0.73 1.75 0.03 0.00 -2.44 0.00 0.00 57.07 57.14 3hta s TYR 164 Cb -0.27 -3.18 0.11 0.00 0.35 0.00 0.00 41.96 38.97 3hta s TYR 164 CO 0.40 -0.28 0.10 0.34 -1.34 0.00 0.00 175.55 174.77 3hta s ASP 165 N -1.06 4.47 0.13 4.32 -1.08 -1.26 -5.01 116.67 117.19 3hta s ASP 165 Ca 0.45 -2.15 -0.17 0.00 -0.52 0.00 0.00 52.55 50.15 3hta s ASP 165 Cb -0.29 -1.41 -0.02 0.00 -1.46 0.00 0.00 42.92 39.74 3hta s ASP 165 CO 0.37 -0.37 1.76 -0.08 0.52 0.00 0.00 175.17 177.37 3hta h GLU 166 N 7.55 0.45 -0.87 4.34 4.81 -1.95 0.96 114.58 129.87 3hta h GLU 166 Ca -0.07 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3hta h GLU 166 Cb 1.00 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.22 3hta h GLU 166 CO 0.52 0.35 0.53 0.93 -0.73 0.00 0.00 179.01 180.62 3hta h GLU 167 N 0.42 0.91 -0.22 1.92 4.39 -1.97 0.43 114.58 120.46 3hta h GLU 167 Ca 0.12 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3hta h GLU 167 Cb 0.02 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 3hta h GLU 167 CO -0.02 0.60 0.06 -0.92 -1.16 0.00 0.00 179.01 177.57 3hta h TYR 168 N 0.94 0.37 -0.55 4.33 3.20 -1.90 0.50 116.97 123.86 3hta h TYR 168 Ca 0.40 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.26 3hta h TYR 168 Cb 0.26 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3hta h TYR 168 CO -0.03 0.45 0.32 0.00 -1.64 0.00 0.00 178.16 177.25 3hta h ALA 169 N 0.88 0.71 -0.19 1.82 0.00 0.27 -0.63 119.26 122.11 3hta h ALA 169 Ca 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hta h ALA 169 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hta h ALA 169 CO -0.00 0.01 0.11 -0.09 0.00 0.00 0.00 179.25 179.28 3hta h ARG 170 N 0.62 0.26 -0.57 0.00 2.43 0.02 -1.01 114.38 116.14 3hta h ARG 170 Ca 0.23 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 3hta h ARG 170 Cb 0.06 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 3hta h ARG 170 CO -0.12 0.25 0.24 1.49 -1.51 0.00 0.00 179.97 180.32 3hta h GLU 171 N 0.21 0.44 -0.45 0.20 4.57 -0.27 0.31 114.58 119.60 3hta h GLU 171 Ca 0.07 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3hta h GLU 171 Cb 0.06 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3hta h GLU 171 CO -0.01 0.29 0.11 0.28 -1.18 0.00 0.00 179.01 178.50 3hta h VAL 172 N 0.46 1.23 -0.30 0.32 2.07 -0.91 -1.42 116.25 117.71 3hta h VAL 172 Ca 0.27 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 3hta h VAL 172 Cb 0.26 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3hta h VAL 172 CO -0.24 0.29 -0.14 -0.07 0.02 0.00 0.00 177.57 177.43 3hta h LEU 173 N 0.59 0.50 -1.29 2.57 3.38 -0.73 -2.01 115.31 118.33 3hta h LEU 173 Ca 0.14 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3hta h LEU 173 Cb 0.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hta h LEU 173 CO 0.00 0.67 -0.30 0.74 0.09 0.00 0.00 178.44 179.64 3hta h THR 174 N 0.48 1.24 0.00 0.22 2.02 -0.01 -0.59 112.91 116.25 3hta h THR 174 Ca 0.09 -1.13 -0.13 0.00 0.77 0.00 0.00 66.41 66.01 3hta h THR 174 Cb 0.53 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 3hta h THR 174 CO 0.03 0.33 -0.62 0.03 0.37 0.00 0.00 175.52 175.66 3hta h ARG 175 N 0.08 0.00 0.01 6.66 3.08 -0.58 -3.34 114.38 120.29 3hta h ARG 175 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hta h ARG 175 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3hta h ARG 175 CO 0.04 0.62 -0.01 1.25 -1.07 0.00 0.00 179.97 180.81 3hta h LEU 176 N 0.00 -0.01 -9.14 3.04 6.46 -0.73 -3.45 115.31 111.47 3hta h LEU 176 Ca -0.01 -0.63 -0.57 0.00 -0.12 0.00 0.00 57.88 56.55 3hta h LEU 176 Cb 1.26 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.15 3hta h LEU 176 CO 0.08 0.79 0.81 -0.63 -0.62 0.00 0.00 178.44 178.86 3hta s ILE 177 N -2.13 4.51 0.15 4.05 1.01 -0.30 -4.90 121.20 123.59 3hta s ILE 177 Ca -0.12 1.82 -0.31 0.00 0.00 0.00 0.00 60.65 62.03 3hta s ILE 177 Cb -0.02 -4.18 -0.11 0.00 0.01 0.00 0.00 42.46 38.17 3hta s ILE 177 CO 0.46 -0.13 1.80 -2.84 0.00 0.00 0.00 174.94 174.22 3hta s PRO 178 N 3.11 4.13 0.11 2.79 0.02 -1.26 -4.82 135.00 139.08 3hta s PRO 178 Ca 0.49 2.59 -0.31 0.00 0.02 0.00 0.00 61.00 63.80 3hta s PRO 178 Cb -0.19 -3.45 -0.09 0.00 0.02 0.00 0.00 34.50 30.79 3hta s PRO 178 CO 0.12 -0.81 1.64 0.08 -0.33 0.00 0.00 177.00 177.69 3hta s VAL 179 N 2.30 2.82 0.35 3.83 1.01 -1.26 -4.94 120.40 124.51 3hta s VAL 179 Ca 0.79 0.43 -0.28 0.00 0.00 0.00 0.00 61.98 62.91 3hta s VAL 179 Cb -0.47 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.53 3hta s VAL 179 CO 0.35 0.01 1.36 -2.16 0.00 0.00 0.00 175.10 174.67 3hta s PRO 180 N 2.04 4.24 -0.03 2.72 0.04 -1.26 -4.94 135.00 137.80 3hta s PRO 180 Ca 0.73 2.32 -0.24 0.00 0.04 0.00 0.00 61.00 63.85 3hta s PRO 180 Cb -0.42 -3.01 -0.21 0.00 0.04 0.00 0.00 34.50 30.91 3hta s PRO 180 CO 0.32 -0.33 1.15 0.00 0.04 0.00 0.00 177.00 178.19 3hta h ALA 181 N 3.18 0.06 -4.99 8.56 0.00 -2.03 -3.46 119.26 120.58 3hta h ALA 181 Ca -0.50 -0.36 -0.55 0.00 0.00 0.00 0.00 54.91 53.50 3hta h ALA 181 Cb 1.23 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 3hta h ALA 181 CO 0.65 -0.04 -0.39 0.25 0.00 0.00 0.00 179.25 179.72 3hta n THR 182 N -4.65 0.00 0.26 0.00 -2.24 -1.26 -5.35 114.28 101.04 3hta n THR 182 Ca -0.09 -2.02 0.03 0.00 -2.27 0.00 0.00 64.05 59.71 3hta n THR 182 Cb 0.38 0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.98 3hta n THR 182 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39