#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htj n ASP 6 N 0.00 -6.20 -0.24 4.39 2.03 -1.26 -4.96 116.55 110.31 3htj n ASP 6 Ca 0.00 -0.56 -0.02 0.00 0.52 0.00 0.00 54.79 54.74 3htj n ASP 6 Cb 0.00 -4.89 0.10 0.00 -0.72 0.00 0.00 41.12 35.61 3htj n ASP 6 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3htj h PRO 7 N -2.57 0.70 -0.36 -0.67 0.13 -2.06 -3.04 132.00 124.13 3htj h PRO 7 Ca -0.57 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.41 3htj h PRO 7 Cb 1.37 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3htj h PRO 7 CO 0.57 0.46 -0.24 1.05 -0.23 0.00 0.00 178.00 179.62 3htj h GLU 8 N 0.72 0.71 -0.55 0.86 9.09 -1.99 0.13 114.58 123.56 3htj h GLU 8 Ca 0.30 -0.29 -0.06 0.00 0.05 0.00 0.00 59.36 59.36 3htj h GLU 8 Cb 0.16 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.20 3htj h GLU 8 CO -0.17 0.88 0.11 -0.09 0.05 0.00 0.00 179.01 179.80 3htj h ARG 9 N 0.62 0.89 0.00 1.06 2.43 -1.98 -2.10 114.38 115.30 3htj h ARG 9 Ca 0.08 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 3htj h ARG 9 Cb 0.73 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3htj h ARG 9 CO 0.06 0.85 -0.30 -0.09 -1.51 0.00 0.00 179.97 178.98 3htj h ARG 10 N 0.79 0.00 -0.05 0.20 2.43 -1.35 -1.39 114.38 115.01 3htj h ARG 10 Ca 0.17 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3htj h ARG 10 Cb 0.37 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3htj h ARG 10 CO 0.01 0.30 -0.05 0.37 -1.51 0.00 0.00 179.97 179.08 3htj h GLN 11 N 0.00 0.12 0.00 0.20 5.75 -0.11 -2.79 115.11 118.28 3htj h GLN 11 Ca -0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3htj h GLN 11 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.11 3htj h GLN 11 CO 0.04 0.57 0.00 2.89 -2.65 0.00 0.00 178.83 179.68 3htj n ARG 12 N -4.76 0.09 -0.03 1.69 1.85 -0.86 -0.95 116.66 113.70 3htj n ARG 12 Ca -0.08 0.35 -0.15 0.00 -1.00 0.00 0.00 57.85 56.97 3htj n ARG 12 Cb 0.28 -1.69 -0.12 0.00 -1.05 0.00 0.00 32.46 29.89 3htj n ARG 12 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3htj h ILE 13 N 0.00 1.60 0.00 8.89 2.04 -1.09 -2.51 117.51 126.43 3htj h ILE 13 Ca 0.00 -2.07 -0.07 0.00 1.00 0.00 0.00 64.86 63.72 3htj h ILE 13 Cb 0.29 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 3htj h ILE 13 CO 0.00 0.56 -0.32 0.40 0.00 0.00 0.00 178.15 178.80 3htj h ILE 14 N -0.61 0.87 -0.11 -0.67 2.04 -1.19 -2.19 117.51 115.65 3htj h ILE 14 Ca -0.03 -1.26 -0.14 0.00 1.00 0.00 0.00 64.86 64.42 3htj h ILE 14 Cb 1.05 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 3htj h ILE 14 CO 0.05 0.31 -0.56 0.44 0.00 0.00 0.00 178.15 178.39 3htj h ASP 15 N 0.00 0.37 0.66 1.72 3.32 -1.06 -3.11 116.42 118.32 3htj h ASP 15 Ca -0.00 -0.20 -0.26 0.00 0.02 0.00 0.00 57.03 56.59 3htj h ASP 15 Cb 0.73 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 3htj h ASP 15 CO 0.04 0.85 -1.18 0.00 -1.72 0.00 0.00 179.24 177.23 3htj h ALA 16 N 1.15 0.16 -0.52 3.45 0.00 -1.18 -3.01 119.26 119.31 3htj h ALA 16 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 54.91 54.06 3htj h ALA 16 Cb 1.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3htj h ALA 16 CO 0.09 1.00 0.34 0.00 0.00 0.00 0.00 179.25 180.68 3htj h ALA 17 N 0.66 1.69 -0.04 0.00 0.00 -1.40 0.34 119.26 120.51 3htj h ALA 17 Ca -0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3htj h ALA 17 Cb 1.91 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.52 3htj h ALA 17 CO 0.19 0.26 -0.39 0.82 0.00 0.00 0.00 179.25 180.13 3htj h ILE 18 N 0.64 1.45 -0.43 0.00 2.04 -1.59 -1.98 117.51 117.64 3htj h ILE 18 Ca 0.20 -1.87 0.05 0.00 1.00 0.00 0.00 64.86 64.24 3htj h ILE 18 Cb 0.01 2.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 3htj h ILE 18 CO -0.05 0.54 0.17 0.03 0.00 0.00 0.00 178.15 178.84 3htj h ARG 19 N -0.19 0.34 0.03 2.37 3.08 -1.20 0.88 114.38 119.68 3htj h ARG 19 Ca -0.04 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3htj h ARG 19 Cb 1.08 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 3htj h ARG 19 CO 0.08 0.22 -0.10 0.28 -1.07 0.00 0.00 179.97 179.38 3htj h VAL 20 N 0.35 0.75 0.00 2.04 2.07 -0.38 -2.31 116.25 118.78 3htj h VAL 20 Ca 0.20 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 3htj h VAL 20 Cb 0.17 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3htj h VAL 20 CO -0.19 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 177.80 3htj h VAL 21 N -0.18 0.81 0.01 2.57 2.07 -0.96 0.31 116.25 120.87 3htj h VAL 21 Ca 0.03 -0.72 -0.20 0.00 0.82 0.00 0.00 66.70 66.64 3htj h VAL 21 Cb 0.22 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3htj h VAL 21 CO -0.08 0.18 -0.89 1.23 0.02 0.00 0.00 177.57 178.03 3htj h GLY 22 N 0.89 0.16 0.00 2.17 0.00 -0.31 0.11 103.07 106.10 3htj h GLY 22 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3htj h GLY 22 CO 0.02 0.26 -0.87 -0.18 0.00 0.00 0.00 176.54 175.77 3htj n GLN 23 N -3.61 2.32 0.00 4.80 7.27 -0.94 -4.65 117.38 122.57 3htj n GLN 23 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.00 3htj n GLN 23 Cb 0.82 -1.10 0.00 0.00 2.41 0.00 0.00 30.24 32.38 3htj n GLN 23 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3htj n LYS 24 N -1.48 1.18 0.00 3.69 4.76 0.11 -5.09 118.16 121.32 3htj n LYS 24 Ca 0.01 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 3htj n LYS 24 Cb 0.21 -0.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 3htj n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3htj n GLY 25 N 0.21 -0.98 0.13 0.72 0.00 0.39 -3.18 105.19 102.48 3htj n GLY 25 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 3htj n GLY 25 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3htj h ILE 26 N 0.00 1.47 -0.88 -0.61 2.04 -1.89 -3.26 117.51 114.39 3htj h ILE 26 Ca 0.00 -2.59 0.24 0.00 1.00 0.00 0.00 64.86 63.51 3htj h ILE 26 Cb 0.00 2.46 -0.15 0.00 -0.74 0.00 0.00 36.82 38.39 3htj h ILE 26 CO 0.00 0.76 0.16 0.00 0.00 0.00 0.00 178.15 179.06 3htj h ALA 27 N 0.91 1.19 -1.06 1.87 0.00 -1.97 0.36 119.26 120.56 3htj h ALA 27 Ca -0.05 0.25 -0.68 0.00 0.00 0.00 0.00 54.91 54.43 3htj h ALA 27 Cb 1.53 0.40 -0.33 0.00 0.00 0.00 0.00 17.79 19.39 3htj h ALA 27 CO 0.14 -0.50 0.41 0.41 0.00 0.00 0.00 179.25 179.71 3htj n GLY 28 N -1.41 5.85 3.09 0.00 0.00 -1.19 -4.93 105.19 106.59 3htj n GLY 28 Ca 0.21 -2.51 -0.30 0.00 0.00 0.00 0.00 46.02 43.41 3htj n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3htj s LEU 29 N -3.84 1.86 0.02 0.99 1.98 0.11 -4.84 118.68 114.97 3htj s LEU 29 Ca 0.55 -0.51 -0.29 0.00 -2.89 0.00 0.00 54.13 50.99 3htj s LEU 29 Cb 0.45 -1.24 0.10 0.00 0.66 0.00 0.00 46.19 46.16 3htj s LEU 29 CO -0.19 0.02 1.14 -0.94 -1.89 0.00 0.00 176.35 174.50 3htj s SER 30 N 1.02 -0.13 0.22 3.68 1.04 -1.26 -5.00 113.70 113.27 3htj s SER 30 Ca -0.04 -0.20 -0.08 0.00 0.48 0.00 0.00 55.95 56.11 3htj s SER 30 Cb -0.15 0.28 0.35 0.00 0.10 0.00 0.00 66.02 66.61 3htj s SER 30 CO -0.04 -0.51 1.71 0.45 0.98 0.00 0.00 173.24 175.83 3htj h HIS 31 N 2.00 0.29 0.22 5.02 3.86 -1.97 0.19 115.15 124.76 3htj h HIS 31 Ca -0.26 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 58.99 3htj h HIS 31 Cb 1.21 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 3htj h HIS 31 CO 0.33 -0.01 -0.19 -0.09 0.86 0.00 0.00 177.93 178.83 3htj h ARG 32 N 0.31 -0.41 -0.36 2.45 2.43 -1.97 0.23 114.38 117.06 3htj h ARG 32 Ca 0.35 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.61 3htj h ARG 32 Cb 0.53 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 3htj h ARG 32 CO -0.41 -0.27 0.01 1.15 -1.51 0.00 0.00 179.97 178.93 3htj h THR 33 N -0.43 0.74 -0.21 0.20 2.02 -1.59 -0.06 112.91 113.58 3htj h THR 33 Ca -0.01 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 3htj h THR 33 Cb 0.38 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3htj h THR 33 CO -0.02 0.02 -0.36 -0.37 0.37 0.00 0.00 175.52 175.16 3htj h VAL 34 N 0.11 1.33 -0.88 3.16 -1.51 -0.55 -2.69 116.25 115.21 3htj h VAL 34 Ca 0.17 -1.58 0.03 0.00 -1.23 0.00 0.00 66.70 64.09 3htj h VAL 34 Cb 0.24 1.82 -0.05 0.00 -2.13 0.00 0.00 31.29 31.17 3htj h VAL 34 CO -0.28 0.49 0.58 0.00 -1.23 0.00 0.00 177.57 177.13 3htj h ALA 35 N 0.61 1.44 -0.07 5.19 0.00 -0.35 0.20 119.26 126.27 3htj h ALA 35 Ca 0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3htj h ALA 35 Cb 0.96 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3htj h ALA 35 CO 0.08 0.48 -0.48 0.00 0.00 0.00 0.00 179.25 179.33 3htj h ALA 36 N 1.48 1.06 0.20 0.00 0.00 -1.02 -1.66 119.26 119.32 3htj h ALA 36 Ca 0.35 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3htj h ALA 36 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3htj h ALA 36 CO -0.10 0.63 -0.10 1.49 0.00 0.00 0.00 179.25 181.18 3htj h GLU 37 N 0.15 -0.26 0.00 0.00 4.57 -0.69 -3.26 114.58 115.08 3htj h GLU 37 Ca 0.01 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3htj h GLU 37 Cb 0.91 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3htj h GLU 37 CO 0.07 0.06 -0.01 0.00 -1.18 0.00 0.00 179.01 177.95 3htj h ALA 38 N -0.65 1.02 -0.96 2.92 0.00 -0.79 -3.46 119.26 117.33 3htj h ALA 38 Ca -0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 3htj h ALA 38 Cb 0.44 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3htj h ALA 38 CO 0.05 0.01 -0.21 -3.47 0.00 0.00 0.00 179.25 175.62 3htj n ASP 39 N -3.11 -3.59 -4.88 0.00 2.03 -0.67 -4.98 116.55 101.34 3htj n ASP 39 Ca -0.01 0.09 -0.23 0.00 0.52 0.00 0.00 54.79 55.16 3htj n ASP 39 Cb 0.18 -2.47 0.06 0.00 -0.72 0.00 0.00 41.12 38.18 3htj n ASP 39 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3htj s VAL 40 N -2.42 2.46 0.00 5.18 -7.23 -0.93 -5.02 120.40 112.43 3htj s VAL 40 Ca 0.00 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3htj s VAL 40 Cb 0.00 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 34.05 3htj s VAL 40 CO 0.00 0.00 0.39 -2.65 -0.31 0.00 0.00 175.10 172.53 3htj n PRO 41 N -2.58 0.00 0.00 4.82 -0.02 -1.26 -4.59 135.00 131.37 3htj n PRO 41 Ca 0.10 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3htj n PRO 41 Cb 0.60 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.19 3htj n PRO 41 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3htj n LEU 42 N -0.45 0.00 0.02 2.45 7.94 -1.26 -4.79 117.00 120.92 3htj n LEU 42 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 3htj n LEU 42 Cb 0.00 0.00 0.31 0.00 0.53 0.00 0.00 43.42 44.26 3htj n LEU 42 CO 0.00 0.00 0.73 0.61 -1.11 0.00 0.00 177.39 177.62 3htj n GLY 43 N 0.00 -0.99 0.13 -3.96 0.00 -1.26 -0.58 105.19 98.52 3htj n GLY 43 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3htj n GLY 43 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3htj h SER 44 N 0.00 0.61 -0.15 1.61 0.87 -1.95 0.13 113.55 114.66 3htj h SER 44 Ca 0.00 -0.93 -0.11 0.00 -1.23 0.00 0.00 61.79 59.52 3htj h SER 44 Cb 0.24 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3htj h SER 44 CO 0.00 1.56 -0.27 0.71 -0.53 0.00 0.00 176.83 178.30 3htj h THR 45 N -0.15 1.27 0.00 2.23 1.35 -1.20 -2.33 112.91 114.08 3htj h THR 45 Ca -0.21 -1.36 -0.12 0.00 -0.55 0.00 0.00 66.41 64.17 3htj h THR 45 Cb 1.87 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 69.61 3htj h THR 45 CO 0.19 0.44 -0.67 0.74 -0.25 0.00 0.00 175.52 175.97 3htj h THR 46 N 0.54 0.91 -0.71 6.82 2.02 -0.95 -2.73 112.91 118.81 3htj h THR 46 Ca 0.07 -2.32 -0.02 0.00 0.77 0.00 0.00 66.41 64.91 3htj h THR 46 Cb 0.74 2.42 -0.03 0.00 -1.74 0.00 0.00 68.15 69.54 3htj h THR 46 CO 0.06 0.52 0.36 0.22 0.37 0.00 0.00 175.52 177.05 3htj h TYR 47 N 0.00 1.00 0.09 3.16 3.20 -0.28 -3.17 116.97 120.98 3htj h TYR 47 Ca -0.02 -0.04 -0.31 0.00 3.14 0.00 0.00 58.73 61.50 3htj h TYR 47 Cb 1.45 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 3htj h TYR 47 CO 0.00 0.73 -1.62 0.45 -1.64 0.00 0.00 178.16 176.08 3htj h HIS 48 N 0.98 0.36 -3.27 -3.82 3.86 -1.50 -3.43 115.15 108.33 3htj h HIS 48 Ca 0.25 -0.26 -0.62 0.00 -1.16 0.00 0.00 60.37 58.57 3htj h HIS 48 Cb 0.08 -0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.14 3htj h HIS 48 CO 0.00 1.37 -0.72 -0.06 0.86 0.00 0.00 177.93 179.38 3htj s PHE 49 N -2.61 2.54 0.13 2.45 0.40 -1.03 -4.99 117.98 114.87 3htj s PHE 49 Ca -0.10 -2.50 -0.32 0.00 -0.60 0.00 0.00 56.93 53.40 3htj s PHE 49 Cb 0.07 -2.25 -0.10 0.00 0.51 0.00 0.00 43.02 41.25 3htj s PHE 49 CO 0.83 -0.84 1.55 0.00 0.70 0.00 0.00 175.22 177.46 3htj h ALA 50 N 7.28 -0.74 -1.98 5.36 0.00 -1.82 -3.40 119.26 123.95 3htj h ALA 50 Ca -0.06 0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.38 3htj h ALA 50 Cb 0.97 1.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.86 3htj h ALA 50 CO 0.52 -1.04 -0.44 0.95 0.00 0.00 0.00 179.25 179.25 3htj s THR 51 N -5.66 4.18 0.10 0.00 -4.23 -1.26 -4.97 115.64 103.80 3htj s THR 51 Ca -0.14 -1.23 -0.17 0.00 -1.18 0.00 0.00 61.69 58.97 3htj s THR 51 Cb 0.09 -3.41 -0.06 0.00 1.34 0.00 0.00 72.50 70.46 3htj s THR 51 CO 0.62 -0.24 1.54 0.25 -0.54 0.00 0.00 174.62 176.25 3htj h LEU 52 N 1.21 0.51 -1.72 4.79 5.85 -2.01 -2.10 115.31 121.85 3htj h LEU 52 Ca -0.47 -0.30 0.37 0.00 0.84 0.00 0.00 57.88 58.31 3htj h LEU 52 Cb 1.25 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.06 3htj h LEU 52 CO 0.58 0.69 0.87 0.44 -0.34 0.00 0.00 178.44 180.68 3htj h ASP 53 N 0.32 0.16 -0.03 1.25 3.45 -1.96 0.18 116.42 119.80 3htj h ASP 53 Ca 0.09 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 3htj h ASP 53 Cb 0.42 0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3htj h ASP 53 CO 0.01 -0.01 -0.00 0.44 -1.57 0.00 0.00 179.24 178.11 3htj h ASP 54 N 0.12 0.06 -0.53 6.45 3.32 -1.74 -0.86 116.42 123.24 3htj h ASP 54 Ca 0.66 -0.34 -0.09 0.00 0.02 0.00 0.00 57.03 57.28 3htj h ASP 54 Cb 2.29 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 41.81 3htj h ASP 54 CO -0.16 0.39 -0.02 0.25 -1.72 0.00 0.00 179.24 177.98 3htj h LEU 55 N -0.26 0.94 0.09 1.55 5.85 -0.67 -1.96 115.31 120.83 3htj h LEU 55 Ca 0.01 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3htj h LEU 55 Cb 0.36 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3htj h LEU 55 CO 0.00 1.03 -0.09 0.24 -0.34 0.00 0.00 178.44 179.28 3htj h MET 56 N 0.82 -0.19 -0.84 1.25 2.86 -1.13 0.62 114.93 118.31 3htj h MET 56 Ca 0.15 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.99 3htj h MET 56 Cb 0.56 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.15 3htj h MET 56 CO 0.03 -0.13 0.34 0.28 1.06 0.00 0.00 176.91 178.50 3htj h VAL 57 N -0.20 0.54 0.40 -2.22 2.07 -1.01 -1.03 116.25 114.80 3htj h VAL 57 Ca 0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3htj h VAL 57 Cb 0.20 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3htj h VAL 57 CO -0.03 0.08 -0.19 0.00 0.02 0.00 0.00 177.57 177.45 3htj h ALA 58 N 1.65 -0.53 -0.49 1.67 0.00 -0.43 -2.64 119.26 118.50 3htj h ALA 58 Ca 0.50 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.32 3htj h ALA 58 Cb 0.87 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3htj h ALA 58 CO -0.49 -0.63 -0.10 0.00 0.00 0.00 0.00 179.25 178.04 3htj h ALA 59 N -0.45 0.35 0.25 0.00 0.00 0.76 -2.57 119.26 117.60 3htj h ALA 59 Ca -0.05 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3htj h ALA 59 Cb 0.55 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3htj h ALA 59 CO 0.09 -0.43 -0.40 1.25 0.00 0.00 0.00 179.25 179.76 3htj h LEU 60 N 0.02 -1.13 -2.23 0.00 5.85 -1.24 -2.55 115.31 114.03 3htj h LEU 60 Ca 0.24 0.11 0.05 0.00 0.84 0.00 0.00 57.88 59.12 3htj h LEU 60 Cb 0.36 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3htj h LEU 60 CO -0.48 -0.51 0.21 -0.09 -0.34 0.00 0.00 178.44 177.23 3htj h ARG 61 N -0.72 0.00 0.24 1.25 2.43 -1.14 -0.38 114.38 116.07 3htj h ARG 61 Ca -0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 3htj h ARG 61 Cb 0.69 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3htj h ARG 61 CO -0.15 0.00 -1.49 0.37 -1.51 0.00 0.00 179.97 177.19 3htj h GLN 62 N 0.00 0.51 -0.13 0.20 4.15 -1.11 -3.26 115.11 115.48 3htj h GLN 62 Ca 0.09 -0.87 -0.11 0.00 0.77 0.00 0.00 58.65 58.53 3htj h GLN 62 Cb 0.51 0.32 0.00 0.00 0.21 0.00 0.00 27.48 28.53 3htj h GLN 62 CO -0.00 1.42 -0.34 0.00 -1.93 0.00 0.00 178.83 177.98 3htj h ALA 63 N 0.14 0.21 0.00 3.38 0.00 -0.99 -3.13 119.26 118.86 3htj h ALA 63 Ca -0.27 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3htj h ALA 63 Cb 2.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.89 3htj h ALA 63 CO 0.25 0.27 0.00 -1.71 0.00 0.00 0.00 179.25 178.06 3htj n ASN 64 N -4.37 0.00 -0.19 0.00 4.05 -0.22 -1.36 115.26 113.18 3htj n ASN 64 Ca -0.07 0.06 0.14 0.00 0.45 0.00 0.00 54.58 55.16 3htj n ASN 64 Cb 0.50 -0.16 0.55 0.00 1.23 0.00 0.00 39.78 41.90 3htj n ASN 64 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3htj n GLU 65 N -1.16 0.85 0.20 1.20 -0.58 -1.18 -3.14 120.64 116.82 3htj n GLU 65 Ca 0.03 -0.38 0.10 0.00 -0.42 0.00 0.00 57.16 56.49 3htj n GLU 65 Cb 0.03 -1.49 0.19 0.00 -0.57 0.00 0.00 31.44 29.59 3htj n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3htj h GLY 66 N 4.94 0.00 0.97 0.62 0.00 -1.42 -3.11 103.07 105.08 3htj h GLY 66 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3htj h GLY 66 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 176.54 173.79 3htj h PHE 67 N 0.00 0.83 0.00 5.60 -0.00 -1.75 -1.56 116.94 120.06 3htj h PHE 67 Ca -0.00 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.97 57.82 3htj h PHE 67 Cb 1.06 -0.22 -0.00 0.00 -0.00 0.00 0.00 35.95 36.79 3htj h PHE 67 CO 0.00 0.82 -0.03 0.00 -0.00 0.00 0.00 178.31 179.11 3htj h ALA 68 N 0.90 1.01 0.00 2.41 0.00 -1.73 -2.46 119.26 119.39 3htj h ALA 68 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3htj h ALA 68 Cb 0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3htj h ALA 68 CO 0.02 0.03 -0.38 -0.09 0.00 0.00 0.00 179.25 178.83 3htj h ARG 69 N 0.00 0.00 0.11 0.00 2.43 -1.24 -3.16 114.38 112.51 3htj h ARG 69 Ca -0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 3htj h ARG 69 Cb 0.51 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 3htj h ARG 69 CO 0.00 0.38 -1.84 -0.39 -1.51 0.00 0.00 179.97 176.62 3htj h VAL 70 N 0.00 0.70 -0.11 0.20 -1.51 -1.02 -3.12 116.25 111.39 3htj h VAL 70 Ca -0.00 -2.32 0.03 0.00 -1.23 0.00 0.00 66.70 63.18 3htj h VAL 70 Cb 1.22 2.48 -0.00 0.00 -2.13 0.00 0.00 31.29 32.85 3htj h VAL 70 CO 0.05 0.79 0.21 0.58 -1.23 0.00 0.00 177.57 177.97 3htj h VAL 71 N -0.13 0.24 0.18 7.19 2.07 -1.55 0.46 116.25 124.72 3htj h VAL 71 Ca -0.40 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 66.78 3htj h VAL 71 Cb 1.90 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 3htj h VAL 71 CO 0.04 0.00 -1.66 0.00 0.02 0.00 0.00 177.57 175.97 3htj h ALA 72 N 1.68 0.12 0.00 1.67 0.00 -1.67 -3.34 119.26 117.73 3htj h ALA 72 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3htj h ALA 72 Cb 0.48 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3htj h ALA 72 CO -0.00 0.95 0.00 0.00 0.00 0.00 0.00 179.25 180.20 3htj n ALA 73 N -2.87 1.86 -3.15 0.00 0.00 0.16 -3.72 120.51 112.80 3htj n ALA 73 Ca -0.24 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 52.97 3htj n ALA 73 Cb 1.04 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.34 3htj n ALA 73 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3htj n HIS 74 N -0.80 -1.79 0.17 0.00 8.25 -0.97 -4.98 115.22 115.11 3htj n HIS 74 Ca 0.05 -2.72 0.15 0.00 -0.26 0.00 0.00 57.72 54.93 3htj n HIS 74 Cb 0.02 0.59 0.74 0.00 1.12 0.00 0.00 29.99 32.46 3htj n HIS 74 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3htj h PRO 75 N 5.13 0.00 0.00 -0.41 0.13 -1.79 -1.93 132.00 133.13 3htj h PRO 75 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3htj h PRO 75 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3htj h PRO 75 CO 0.29 0.00 0.53 0.00 -0.23 0.00 0.00 178.00 178.59 3htj h ALA 76 N 1.85 1.50 0.00 -0.56 0.00 -1.93 0.77 119.26 120.89 3htj h ALA 76 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3htj h ALA 76 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3htj h ALA 76 CO -0.00 -0.50 0.00 -0.07 0.00 0.00 0.00 179.25 178.68 3htj h LEU 77 N 0.00 0.00 0.00 0.00 3.38 -1.70 -2.94 115.31 114.05 3htj h LEU 77 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3htj h LEU 77 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3htj h LEU 77 CO 0.00 0.00 -2.08 -1.20 0.09 0.00 0.00 178.44 175.25 3htj n SER 78 N -3.07 0.19 -4.49 -0.43 7.64 0.27 -4.91 113.62 108.82 3htj n SER 78 Ca -0.00 0.00 -0.51 0.00 1.01 0.00 0.00 58.87 59.37 3htj n SER 78 Cb 0.23 1.65 -0.07 0.00 -1.01 0.00 0.00 64.21 65.01 3htj n SER 78 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3htj n ASP 79 N -2.39 2.28 0.00 6.43 4.64 -1.11 -4.73 116.55 121.67 3htj n ASP 79 Ca -0.13 0.51 0.02 0.00 -1.38 0.00 0.00 54.79 53.81 3htj n ASP 79 Cb 0.74 -1.27 0.10 0.00 -1.04 0.00 0.00 41.12 39.65 3htj n ASP 79 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3htj n PRO 80 N 7.85 0.12 -0.10 -0.67 -0.02 -1.26 -1.60 135.00 139.32 3htj n PRO 80 Ca 0.38 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.69 3htj n PRO 80 Cb 0.23 -1.44 -0.08 0.00 -0.02 0.00 0.00 33.50 32.19 3htj n PRO 80 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3htj n GLU 81 N -0.94 0.46 -1.47 -0.52 -0.58 -1.26 -5.01 120.64 111.32 3htj n GLU 81 Ca 0.02 0.15 -0.40 0.00 -0.42 0.00 0.00 57.16 56.51 3htj n GLU 81 Cb 0.01 -1.31 0.02 0.00 -0.57 0.00 0.00 31.44 29.59 3htj n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3htj n ALA 82 N -3.45 -1.23 -2.76 0.62 0.00 -0.63 -4.88 120.51 108.18 3htj n ALA 82 Ca -0.37 0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 3htj n ALA 82 Cb 0.83 -1.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 3htj n ALA 82 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3htj s ASP 83 N -1.04 6.27 0.21 0.00 2.15 -1.26 -4.91 116.67 118.09 3htj s ASP 83 Ca 0.66 -1.05 -0.10 0.00 0.43 0.00 0.00 52.55 52.48 3htj s ASP 83 Cb -0.51 -2.47 0.31 0.00 -0.30 0.00 0.00 42.92 39.95 3htj s ASP 83 CO 0.56 -1.49 1.67 0.25 -0.17 0.00 0.00 175.17 175.99 3htj h LEU 84 N 11.78 -0.20 -0.66 -1.34 5.85 -1.91 -1.94 115.31 126.90 3htj h LEU 84 Ca -0.17 0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.78 3htj h LEU 84 Cb 1.05 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 3htj h LEU 84 CO 1.22 -0.09 0.30 0.28 -0.34 0.00 0.00 178.44 179.81 3htj h SER 85 N 0.15 0.36 -0.27 1.25 0.02 -1.91 0.39 113.55 113.56 3htj h SER 85 Ca 0.33 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.29 3htj h SER 85 Cb 0.53 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3htj h SER 85 CO -0.50 0.21 -0.04 1.23 -1.14 0.00 0.00 176.83 176.59 3htj h GLY 86 N 0.52 0.54 1.00 -3.77 0.00 -1.68 -0.74 103.07 98.94 3htj h GLY 86 Ca 0.33 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 3htj h GLY 86 CO -0.28 0.39 0.17 -2.09 0.00 0.00 0.00 176.54 174.74 3htj h GLU 87 N 0.26 0.91 -0.62 4.80 4.57 -0.91 -1.28 114.58 122.30 3htj h GLU 87 Ca 0.07 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 3htj h GLU 87 Cb 0.49 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 3htj h GLU 87 CO 0.02 0.82 0.32 -0.07 -1.18 0.00 0.00 179.01 178.92 3htj h LEU 88 N 0.82 0.80 -0.84 1.64 3.38 -0.17 -2.10 115.31 118.84 3htj h LEU 88 Ca 0.19 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 3htj h LEU 88 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3htj h LEU 88 CO -0.00 0.69 -0.56 0.00 0.09 0.00 0.00 178.44 178.66 3htj h ALA 89 N 1.14 1.02 0.14 1.53 0.00 -0.86 -2.84 119.26 119.39 3htj h ALA 89 Ca 0.22 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3htj h ALA 89 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3htj h ALA 89 CO -0.03 0.70 -0.07 -0.09 0.00 0.00 0.00 179.25 179.76 3htj h ARG 90 N 0.00 -0.18 -0.23 0.00 2.43 -1.07 -2.26 114.38 113.07 3htj h ARG 90 Ca -0.01 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3htj h ARG 90 Cb 1.02 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3htj h ARG 90 CO 0.07 0.21 0.19 -0.39 -1.51 0.00 0.00 179.97 178.54 3htj h VAL 91 N -0.94 0.71 -0.11 0.20 -1.51 -1.48 -0.72 116.25 112.39 3htj h VAL 91 Ca -0.02 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.35 3htj h VAL 91 Cb 0.47 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 3htj h VAL 91 CO 0.03 0.00 -0.33 0.25 -1.23 0.00 0.00 177.57 176.29 3htj h LEU 92 N 0.00 0.48 -1.98 4.19 5.85 -1.52 -2.28 115.31 120.05 3htj h LEU 92 Ca 0.11 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3htj h LEU 92 Cb 0.48 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3htj h LEU 92 CO -0.00 1.00 0.00 1.23 -0.34 0.00 0.00 178.44 180.33 3htj h GLY 93 N -0.01 0.00 0.81 3.75 0.00 -0.55 -1.71 103.07 105.36 3htj h GLY 93 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.07 3htj h GLY 93 CO 0.07 0.00 -1.12 0.83 0.00 0.00 0.00 176.54 176.32 3htj h GLU 94 N 0.00 0.36 -0.45 4.80 5.08 -0.89 -3.28 114.58 120.20 3htj h GLU 94 Ca 0.00 -0.61 0.03 0.00 -1.00 0.00 0.00 59.36 57.78 3htj h GLU 94 Cb 0.08 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3htj h GLU 94 CO 0.00 1.29 0.30 2.35 -1.00 0.00 0.00 179.01 181.95 3htj h TRP 95 N -0.21 0.48 -1.91 4.33 7.01 -0.77 -3.02 115.95 121.86 3htj h TRP 95 Ca -0.21 0.01 -0.77 0.00 2.11 0.00 0.00 58.89 60.03 3htj h TRP 95 Cb 1.81 -0.16 -0.19 0.00 -2.10 0.00 0.00 29.16 28.52 3htj h TRP 95 CO 0.16 0.28 1.60 1.28 -2.79 0.00 0.00 178.44 178.97 3htj n LEU 96 N -4.48 6.52 -1.95 0.65 4.77 -0.91 -4.81 117.00 116.79 3htj n LEU 96 Ca 0.05 -4.82 -0.00 0.00 -0.03 0.00 0.00 56.01 51.21 3htj n LEU 96 Cb 0.15 -1.42 0.35 0.00 -2.33 0.00 0.00 43.42 40.17 3htj n LEU 96 CO 0.35 1.45 0.97 0.61 -1.33 0.00 0.00 177.39 179.44 3htj n GLY 97 N 2.39 3.39 0.00 -0.72 0.00 -1.14 -4.91 105.19 104.20 3htj n GLY 97 Ca 0.35 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3htj n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3htj n GLY 98 N 0.17 2.91 3.73 -0.02 0.00 -1.26 -4.98 105.19 105.75 3htj n GLY 98 Ca 0.35 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 3htj n GLY 98 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3htj n ASP 99 N 0.00 -4.42 -4.30 1.61 4.64 -1.26 -4.56 116.55 108.26 3htj n ASP 99 Ca 0.00 -0.93 -0.23 0.00 -1.38 0.00 0.00 54.79 52.24 3htj n ASP 99 Cb 0.00 -1.48 -0.11 0.00 -1.04 0.00 0.00 41.12 38.49 3htj n ASP 99 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3htj n ARG 100 N -2.60 0.24 0.10 -0.67 3.00 -1.26 -4.56 116.66 110.91 3htj n ARG 100 Ca -0.30 -1.61 -0.21 0.00 -0.01 0.00 0.00 57.85 55.72 3htj n ARG 100 Cb 0.65 -3.57 -0.13 0.00 0.00 0.00 0.00 32.46 29.41 3htj n ARG 100 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 3htj h THR 101 N 6.19 1.32 0.85 0.55 2.02 -1.93 -1.71 112.91 120.21 3htj h THR 101 Ca 0.09 -2.56 -0.04 0.00 0.77 0.00 0.00 66.41 64.67 3htj h THR 101 Cb 0.91 2.75 0.01 0.00 -1.74 0.00 0.00 68.15 70.08 3htj h THR 101 CO 1.29 0.77 -0.41 1.23 0.37 0.00 0.00 175.52 178.78 3htj h GLY 102 N 0.51 -1.20 0.72 2.16 0.00 -1.94 -3.14 103.07 100.18 3htj h GLY 102 Ca -0.18 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3htj h GLY 102 CO 0.23 -0.44 -0.39 -2.08 0.00 0.00 0.00 176.54 173.87 3htj h VAL 103 N -1.17 0.21 -0.97 4.60 2.07 -1.88 -2.92 116.25 116.19 3htj h VAL 103 Ca -0.12 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.59 3htj h VAL 103 Cb 0.88 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.76 3htj h VAL 103 CO 0.19 0.00 0.56 -0.33 0.02 0.00 0.00 177.57 178.02 3htj h GLU 104 N -0.88 0.68 0.08 1.57 5.08 -1.40 -1.66 114.58 118.05 3htj h GLU 104 Ca -0.05 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 58.00 3htj h GLU 104 Cb 0.75 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.85 3htj h GLU 104 CO 0.01 0.45 -1.13 1.37 -1.00 0.00 0.00 179.01 178.71 3htj h LEU 105 N 0.70 0.53 0.29 1.33 8.10 -1.58 -2.74 115.31 121.95 3htj h LEU 105 Ca 0.56 -0.50 -0.01 0.00 0.11 0.00 0.00 57.88 58.04 3htj h LEU 105 Cb 0.88 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.94 3htj h LEU 105 CO -0.40 1.34 -0.14 -0.33 -4.11 0.00 0.00 178.44 174.81 3htj h GLU 106 N 0.16 -0.37 -0.90 0.17 5.08 -1.22 -2.60 114.58 114.89 3htj h GLU 106 Ca -0.12 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3htj h GLU 106 Cb 1.81 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 31.09 3htj h GLU 106 CO 0.19 -0.13 0.58 1.88 -1.00 0.00 0.00 179.01 180.54 3htj h TYR 107 N -0.58 1.04 -0.04 4.33 -1.99 -1.44 0.26 116.97 118.56 3htj h TYR 107 Ca -0.04 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 3htj h TYR 107 Cb 0.42 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 3htj h TYR 107 CO -0.01 0.55 -0.16 1.49 -0.00 0.00 0.00 178.16 180.03 3htj h GLU 108 N 1.03 0.06 0.02 4.88 4.81 -1.40 0.68 114.58 124.66 3htj h GLU 108 Ca 0.38 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3htj h GLU 108 Cb 0.19 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.57 3htj h GLU 108 CO -0.14 0.22 -0.39 -0.07 -0.73 0.00 0.00 179.01 177.91 3htj h LEU 109 N 0.05 0.30 -0.49 1.64 3.38 -0.77 -2.34 115.31 117.08 3htj h LEU 109 Ca 0.01 -0.83 0.08 0.00 0.09 0.00 0.00 57.88 57.23 3htj h LEU 109 Cb 0.33 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3htj h LEU 109 CO 0.02 1.10 0.12 0.22 0.09 0.00 0.00 178.44 179.99 3htj h TYR 110 N -0.46 0.20 0.00 1.13 3.20 0.22 -2.46 116.97 118.79 3htj h TYR 110 Ca -0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3htj h TYR 110 Cb 1.18 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.43 3htj h TYR 110 CO 0.19 0.02 0.00 -0.07 -1.64 0.00 0.00 178.16 176.66 3htj h LEU 111 N 0.26 0.00 -1.92 2.82 3.38 0.26 -3.28 115.31 116.83 3htj h LEU 111 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3htj h LEU 111 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3htj h LEU 111 CO -0.30 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.11 3htj h ALA 112 N 2.44 1.38 -0.07 1.53 0.00 -0.91 -2.13 119.26 121.49 3htj h ALA 112 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3htj h ALA 112 Cb 0.76 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3htj h ALA 112 CO 0.00 0.15 0.09 0.00 0.00 0.00 0.00 179.25 179.48 3htj h ALA 113 N 1.88 1.63 -1.00 0.00 0.00 -1.66 -2.77 119.26 117.34 3htj h ALA 113 Ca -0.00 -0.00 0.37 0.00 0.00 0.00 0.00 54.91 55.28 3htj h ALA 113 Cb 0.30 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.92 3htj h ALA 113 CO 0.02 -0.12 0.52 1.25 0.00 0.00 0.00 179.25 180.92 3htj h LEU 114 N 0.00 0.35 -1.97 0.00 5.85 -1.65 -1.28 115.31 116.62 3htj h LEU 114 Ca 0.04 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3htj h LEU 114 Cb 0.21 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3htj h LEU 114 CO -0.00 -0.32 0.00 0.54 -0.34 0.00 0.00 178.44 178.32 3htj n ARG 115 N -5.19 0.97 -3.88 1.25 5.12 -1.06 -4.93 116.66 108.95 3htj n ARG 115 Ca 0.35 -0.98 -0.30 0.00 -1.93 0.00 0.00 57.85 54.98 3htj n ARG 115 Cb 1.15 -0.99 -0.15 0.00 -1.16 0.00 0.00 32.46 31.31 3htj n ARG 115 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3htj s ARG 116 N -0.49 1.28 0.34 5.56 0.52 -0.48 -5.01 118.95 120.67 3htj s ARG 116 Ca 0.00 -1.75 0.11 0.00 -0.52 0.00 0.00 55.73 53.57 3htj s ARG 116 Cb 0.00 -2.72 0.93 0.00 0.52 0.00 0.00 34.95 33.68 3htj s ARG 116 CO 0.00 -1.01 1.74 -1.35 0.02 0.00 0.00 175.30 174.70 3htj h PRO 117 N 7.47 0.52 0.00 3.54 0.11 -1.92 -1.60 132.00 140.13 3htj h PRO 117 Ca -0.07 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3htj h PRO 117 Cb 0.99 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 3htj h PRO 117 CO 0.52 0.35 -0.06 0.00 -0.21 0.00 0.00 178.00 178.60 3htj h ALA 118 N 1.71 1.47 -0.03 -0.75 0.00 -1.94 -1.91 119.26 117.81 3htj h ALA 118 Ca 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3htj h ALA 118 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3htj h ALA 118 CO -0.44 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.16 3htj n LEU 119 N -3.85 1.61 0.21 0.00 4.77 -0.60 -4.18 117.00 114.96 3htj n LEU 119 Ca -0.03 -0.55 0.06 0.00 -0.03 0.00 0.00 56.01 55.47 3htj n LEU 119 Cb 0.15 -0.01 0.47 0.00 -2.33 0.00 0.00 43.42 41.70 3htj n LEU 119 CO 0.29 0.27 0.80 0.03 -1.33 0.00 0.00 177.39 177.46 3htj h ARG 120 N 2.49 0.00 -0.08 3.23 3.08 -1.40 -2.49 114.38 119.20 3htj h ARG 120 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3htj h ARG 120 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3htj h ARG 120 CO 0.00 0.28 -0.01 -1.35 -1.07 0.00 0.00 179.97 177.82 3htj h PRO 121 N 0.00 0.16 -0.05 0.04 0.11 -1.78 -2.40 132.00 128.08 3htj h PRO 121 Ca -0.00 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 3htj h PRO 121 Cb 0.58 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3htj h PRO 121 CO 0.04 0.46 -0.54 0.28 -0.21 0.00 0.00 178.00 178.03 3htj h VAL 122 N -0.16 1.37 0.00 3.15 2.07 -1.85 -2.16 116.25 118.68 3htj h VAL 122 Ca 0.02 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3htj h VAL 122 Cb 0.40 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3htj h VAL 122 CO 0.01 0.54 0.00 0.00 0.02 0.00 0.00 177.57 178.13 3htj h ALA 123 N 1.35 1.00 0.00 1.67 0.00 -1.37 0.17 119.26 122.08 3htj h ALA 123 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3htj h ALA 123 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3htj h ALA 123 CO 0.08 0.00 -0.48 0.00 0.00 0.00 0.00 179.25 178.85 3htj n ALA 124 N -2.00 3.36 0.34 0.00 0.00 -0.81 -3.87 120.51 117.53 3htj n ALA 124 Ca -0.01 -0.32 0.09 0.00 0.00 0.00 0.00 53.44 53.20 3htj n ALA 124 Cb 0.13 -1.16 0.15 0.00 0.00 0.00 0.00 19.45 18.57 3htj n ALA 124 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3htj n GLU 125 N -1.58 2.03 -0.24 0.00 1.02 0.57 -4.67 120.64 117.77 3htj n GLU 125 Ca 0.05 -1.91 0.01 0.00 -0.02 0.00 0.00 57.16 55.29 3htj n GLU 125 Cb 0.35 -1.38 0.08 0.00 -0.02 0.00 0.00 31.44 30.47 3htj n GLU 125 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3htj h TRP 126 N 3.45 -0.34 -0.64 -0.32 2.91 -1.62 -2.23 115.95 117.16 3htj h TRP 126 Ca 0.00 0.06 -0.35 0.00 1.13 0.00 0.00 58.89 59.73 3htj h TRP 126 Cb 0.80 0.26 -0.20 0.00 -0.51 0.00 0.00 29.16 29.51 3htj h TRP 126 CO 0.15 -0.29 0.22 0.00 -1.03 0.00 0.00 178.44 177.49 3htj n ALA 127 N -3.14 4.95 -0.11 2.65 0.00 -1.26 -4.66 120.51 118.95 3htj n ALA 127 Ca 0.09 -3.10 -0.06 0.00 0.00 0.00 0.00 53.44 50.38 3htj n ALA 127 Cb 0.36 -1.05 0.12 0.00 0.00 0.00 0.00 19.45 18.89 3htj n ALA 127 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3htj h GLU 128 N 1.08 0.80 -0.50 0.00 3.07 -1.70 -3.20 114.58 114.14 3htj h GLU 128 Ca 0.41 -0.26 0.10 0.00 -0.50 0.00 0.00 59.36 59.11 3htj h GLU 128 Cb 2.09 -0.07 -0.10 0.00 -0.84 0.00 0.00 28.75 29.82 3htj h GLU 128 CO 0.74 0.86 -0.22 0.78 -1.40 0.00 0.00 179.01 179.77 3htj h GLY 129 N 0.98 0.14 -0.36 -3.84 0.00 -1.83 -1.26 103.07 96.90 3htj h GLY 129 Ca 0.13 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3htj h GLY 129 CO 0.03 -0.21 0.00 3.33 0.00 0.00 0.00 176.54 179.69 3htj n VAL 130 N -5.41 0.16 0.18 4.60 0.24 -1.22 -4.53 118.33 112.35 3htj n VAL 130 Ca 0.04 -0.21 -0.16 0.00 -2.04 0.00 0.00 64.34 61.97 3htj n VAL 130 Cb 0.32 0.09 -0.08 0.00 -1.47 0.00 0.00 33.84 32.70 3htj n VAL 130 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3htj h GLY 131 N 5.32 -0.95 1.87 7.63 0.00 -1.22 0.77 103.07 116.50 3htj h GLY 131 Ca 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.78 3htj h GLY 131 CO 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 176.54 176.03 3htj h ALA 132 N -0.37 1.48 -0.07 3.60 0.00 -1.80 -1.73 119.26 120.37 3htj h ALA 132 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3htj h ALA 132 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3htj h ALA 132 CO -0.16 0.37 -0.54 1.25 0.00 0.00 0.00 179.25 180.17 3htj h LEU 133 N 0.15 0.23 0.00 0.00 5.85 -1.77 -2.26 115.31 117.50 3htj h LEU 133 Ca 0.03 -0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.44 3htj h LEU 133 Cb 0.45 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3htj h LEU 133 CO 0.03 0.73 -1.24 -0.07 -0.34 0.00 0.00 178.44 177.54 3htj h LEU 134 N 0.16 0.00 -0.13 2.25 3.38 -0.42 -2.84 115.31 117.70 3htj h LEU 134 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3htj h LEU 134 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3htj h LEU 134 CO 0.08 0.72 -0.23 0.00 0.09 0.00 0.00 178.44 179.10 3htj h ALA 135 N 1.28 0.21 0.00 1.53 0.00 -1.35 -2.40 119.26 118.53 3htj h ALA 135 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3htj h ALA 135 Cb 1.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3htj h ALA 135 CO 0.07 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3htj h ALA 136 N 0.56 1.00 -0.14 0.00 0.00 -1.54 -3.33 119.26 115.80 3htj h ALA 136 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3htj h ALA 136 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3htj h ALA 136 CO 0.05 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.17 3htj n ARG 137 N -3.08 1.41 0.00 0.00 0.63 -1.07 -5.03 116.66 109.51 3htj n ARG 137 Ca 0.03 -1.50 0.00 0.00 -0.92 0.00 0.00 57.85 55.46 3htj n ARG 137 Cb 0.47 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 32.14 3htj n ARG 137 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 3htj n THR 138 N 0.62 0.00 -4.35 5.15 5.66 -0.91 -5.03 114.28 115.42 3htj n THR 138 Ca 0.09 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.90 3htj n THR 138 Cb 0.34 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.02 3htj n THR 138 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3htj s ASP 139 N 1.88 2.51 0.41 1.09 -4.77 -1.26 -4.78 116.67 111.75 3htj s ASP 139 Ca 0.00 -1.05 0.19 0.00 -3.30 0.00 0.00 52.55 48.38 3htj s ASP 139 Cb 0.00 -0.12 1.11 0.00 -1.09 0.00 0.00 42.92 42.81 3htj s ASP 139 CO 0.00 -0.22 1.81 1.55 0.70 0.00 0.00 175.17 179.01 3htj h PRO 140 N 2.53 0.38 0.15 2.11 0.13 -1.87 0.62 132.00 136.06 3htj h PRO 140 Ca -0.38 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.53 3htj h PRO 140 Cb 1.22 -0.09 0.02 0.00 0.13 0.00 0.00 31.00 32.29 3htj h PRO 140 CO 0.63 0.25 -0.87 0.00 -0.23 0.00 0.00 178.00 177.78 3htj h THR 141 N 0.39 1.49 -0.49 1.56 1.03 -1.98 -2.72 112.91 112.19 3htj h THR 141 Ca 0.53 -2.55 -0.03 0.00 -0.01 0.00 0.00 66.41 64.35 3htj h THR 141 Cb 1.37 3.19 -0.02 0.00 -1.07 0.00 0.00 68.15 71.61 3htj h THR 141 CO -0.23 0.73 0.18 0.74 -0.01 0.00 0.00 175.52 176.93 3htj h THR 142 N -0.33 1.19 -0.35 0.00 2.02 -1.74 -2.90 112.91 110.79 3htj h THR 142 Ca -0.15 -0.59 0.07 0.00 0.77 0.00 0.00 66.41 66.51 3htj h THR 142 Cb 1.69 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 68.64 3htj h THR 142 CO 0.16 0.23 -0.10 0.00 0.37 0.00 0.00 175.52 176.18 3htj h ALA 143 N 1.51 0.21 -0.56 6.16 0.00 0.23 -2.75 119.26 124.06 3htj h ALA 143 Ca 0.17 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3htj h ALA 143 Cb 0.16 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3htj h ALA 143 CO -0.01 -0.47 0.21 0.00 0.00 0.00 0.00 179.25 178.97 3htj h ARG 144 N -0.02 0.85 -0.60 0.00 3.08 -1.27 -3.09 114.38 113.32 3htj h ARG 144 Ca 0.17 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3htj h ARG 144 Cb 0.28 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3htj h ARG 144 CO -0.37 0.75 0.35 0.00 -1.07 0.00 0.00 179.97 179.62 3htj h ALA 145 N 1.06 1.49 -0.84 0.04 0.00 -1.48 0.32 119.26 119.85 3htj h ALA 145 Ca 0.19 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3htj h ALA 145 Cb 0.23 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3htj h ALA 145 CO -0.01 0.44 0.54 -0.07 0.00 0.00 0.00 179.25 180.14 3htj h LEU 146 N 0.83 0.89 0.41 0.00 3.38 -1.41 0.39 115.31 119.80 3htj h LEU 146 Ca 0.22 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3htj h LEU 146 Cb -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3htj h LEU 146 CO -0.04 0.61 -0.20 0.58 0.09 0.00 0.00 178.44 179.48 3htj h VAL 147 N 1.04 0.39 -0.78 1.22 2.07 -1.41 -0.10 116.25 118.68 3htj h VAL 147 Ca 0.34 -0.61 0.18 0.00 0.82 0.00 0.00 66.70 67.43 3htj h VAL 147 Cb 0.03 0.59 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 3htj h VAL 147 CO -0.12 0.08 0.16 0.00 0.02 0.00 0.00 177.57 177.70 3htj h ALA 148 N -0.70 1.01 0.00 1.67 0.00 -0.53 0.23 119.26 120.95 3htj h ALA 148 Ca -0.06 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3htj h ALA 148 Cb 0.55 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3htj h ALA 148 CO 0.09 -0.39 -0.68 -0.24 0.00 0.00 0.00 179.25 178.03 3htj h VAL 149 N 0.22 1.46 -0.37 0.00 3.04 -0.24 -1.76 116.25 118.60 3htj h VAL 149 Ca 0.46 -2.36 -0.06 0.00 -1.01 0.00 0.00 66.70 63.72 3htj h VAL 149 Cb 0.83 2.28 -0.01 0.00 -2.01 0.00 0.00 31.29 32.38 3htj h VAL 149 CO -0.59 0.67 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.56 3htj h LEU 150 N 0.00 0.65 -0.84 3.16 4.07 0.13 0.18 115.31 122.66 3htj h LEU 150 Ca -0.01 -0.32 -0.10 0.00 0.08 0.00 0.00 57.88 57.54 3htj h LEU 150 Cb 1.23 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 3htj h LEU 150 CO 0.09 0.81 -0.20 0.44 -1.08 0.00 0.00 178.44 178.50 3htj h ASP 151 N 0.47 0.64 0.06 -0.43 3.32 -0.90 -1.18 116.42 118.39 3htj h ASP 151 Ca 0.10 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3htj h ASP 151 Cb 0.49 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3htj h ASP 151 CO 0.02 0.84 -0.03 1.23 -1.72 0.00 0.00 179.24 179.58 3htj h GLY 152 N 0.99 -0.08 0.92 2.75 0.00 -1.09 -1.72 103.07 104.83 3htj h GLY 152 Ca 0.09 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.51 3htj h GLY 152 CO 0.05 -0.03 0.55 -2.22 0.00 0.00 0.00 176.54 174.89 3htj h ILE 153 N -0.41 1.05 -0.43 2.60 2.04 -0.55 -2.21 117.51 119.60 3htj h ILE 153 Ca -0.01 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 3htj h ILE 153 Cb 0.36 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3htj h ILE 153 CO 0.01 0.17 -0.08 0.00 0.00 0.00 0.00 178.15 178.25 3htj h LEU 155 N 0.69 0.62 -0.42 0.00 3.38 -0.68 -2.36 115.31 116.54 3htj h LEU 155 Ca 0.12 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.92 3htj h LEU 155 Cb 0.54 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 3htj h LEU 155 CO 0.03 0.73 -0.29 1.56 0.09 0.00 0.00 178.44 180.56 3htj h GLN 156 N 0.50 -0.20 -0.54 1.13 1.08 -1.49 0.37 115.11 115.95 3htj h GLN 156 Ca 0.12 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 3htj h GLN 156 Cb 0.37 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 3htj h GLN 156 CO 0.01 -0.13 0.23 0.28 -0.95 0.00 0.00 178.83 178.27 3htj h VAL 157 N -0.21 1.21 0.14 -0.54 2.07 -1.55 -1.72 116.25 115.66 3htj h VAL 157 Ca 0.19 -0.64 -0.23 0.00 0.82 0.00 0.00 66.70 66.84 3htj h VAL 157 Cb 0.52 0.62 0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3htj h VAL 157 CO -0.54 0.25 -0.99 -0.07 0.02 0.00 0.00 177.57 176.23 3htj h LEU 158 N 0.73 0.62 -0.34 2.57 3.38 -0.96 -3.15 115.31 118.17 3htj h LEU 158 Ca 0.18 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.25 3htj h LEU 158 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3htj h LEU 158 CO -0.02 1.47 0.00 -0.07 0.09 0.00 0.00 178.44 179.91 3htj h LEU 159 N -0.13 0.00 -3.70 1.67 4.07 -0.34 -3.36 115.31 113.52 3htj h LEU 159 Ca -0.17 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.59 3htj h LEU 159 Cb 1.75 0.00 -0.32 0.00 1.08 0.00 0.00 40.66 43.17 3htj h LEU 159 CO 0.19 0.00 -0.94 0.35 -1.08 0.00 0.00 178.44 176.96 3htj n THR 160 N -2.82 1.00 -0.68 0.22 -2.24 -0.65 -5.01 114.28 104.11 3htj n THR 160 Ca 0.04 -2.25 0.00 0.00 -2.27 0.00 0.00 64.05 59.57 3htj n THR 160 Cb 0.44 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 3htj n THR 160 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3htj n ASP 161 N -0.21 0.00 -4.82 3.42 5.75 -1.19 -4.84 116.55 114.66 3htj n ASP 161 Ca 0.13 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.54 3htj n ASP 161 Cb 0.96 -0.36 -0.06 0.00 -1.03 0.00 0.00 41.12 40.62 3htj n ASP 161 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3htj s THR 162 N -0.68 4.63 0.49 2.12 2.01 -1.25 -5.04 115.64 117.92 3htj s THR 162 Ca 0.00 1.21 -0.19 0.00 0.31 0.00 0.00 61.69 63.02 3htj s THR 162 Cb 0.00 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 3htj s THR 162 CO 0.00 0.27 0.99 -2.16 -0.69 0.00 0.00 174.62 173.03 3htj s PRO 163 N -1.82 3.97 0.10 4.92 0.04 -1.26 -4.37 135.00 136.58 3htj s PRO 163 Ca 0.40 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 62.23 3htj s PRO 163 Cb -0.17 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 3htj s PRO 163 CO 0.21 -0.25 1.29 -0.47 0.04 0.00 0.00 177.00 177.81 3htj s TYR 164 N -2.36 3.35 -0.68 0.56 5.04 -1.26 -4.94 117.35 117.06 3htj s TYR 164 Ca 0.62 1.15 -0.01 0.00 -2.44 0.00 0.00 57.07 56.39 3htj s TYR 164 Cb -0.11 -3.54 0.17 0.00 0.35 0.00 0.00 41.96 38.83 3htj s TYR 164 CO 0.23 -1.78 0.49 0.34 -1.34 0.00 0.00 175.55 173.50 3htj s ASP 165 N 1.01 5.20 0.41 4.32 2.15 -1.26 -4.93 116.67 123.56 3htj s ASP 165 Ca 0.61 -3.20 0.17 0.00 0.43 0.00 0.00 52.55 50.56 3htj s ASP 165 Cb -0.33 -1.81 1.08 0.00 -0.30 0.00 0.00 42.92 41.56 3htj s ASP 165 CO 0.30 -0.27 1.83 -0.08 -0.17 0.00 0.00 175.17 176.78 3htj h GLU 166 N 6.51 0.41 -0.63 4.34 4.81 -1.94 0.36 114.58 128.43 3htj h GLU 166 Ca 0.03 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 3htj h GLU 166 Cb 0.89 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 3htj h GLU 166 CO 0.74 0.27 0.15 0.93 -0.73 0.00 0.00 179.01 180.37 3htj h GLU 167 N 0.42 1.00 -0.07 1.92 3.07 -1.94 0.90 114.58 119.89 3htj h GLU 167 Ca 0.51 -0.22 -0.19 0.00 -0.50 0.00 0.00 59.36 58.95 3htj h GLU 167 Cb 1.25 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3htj h GLU 167 CO -0.21 0.89 -0.76 -0.92 -1.40 0.00 0.00 179.01 176.61 3htj h TYR 168 N 0.95 0.54 0.00 4.33 3.20 -0.83 -3.14 116.97 122.02 3htj h TYR 168 Ca 0.20 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 3htj h TYR 168 Cb 0.34 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3htj h TYR 168 CO 0.02 1.01 -0.19 0.00 -1.64 0.00 0.00 178.16 177.36 3htj h ALA 169 N 0.92 1.04 0.00 1.82 0.00 -0.39 -2.87 119.26 119.78 3htj h ALA 169 Ca -0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 3htj h ALA 169 Cb 1.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3htj h ALA 169 CO 0.13 0.24 -0.65 -0.09 0.00 0.00 0.00 179.25 178.88 3htj h ARG 170 N 0.00 0.00 -0.04 0.00 2.43 -0.78 -2.90 114.38 113.09 3htj h ARG 170 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 3htj h ARG 170 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3htj h ARG 170 CO 0.02 0.65 -0.21 1.49 -1.51 0.00 0.00 179.97 180.41 3htj h GLU 171 N 0.00 0.21 0.82 0.20 4.22 -1.54 -1.87 114.58 116.61 3htj h GLU 171 Ca -0.01 -0.17 -0.04 0.00 0.08 0.00 0.00 59.36 59.22 3htj h GLU 171 Cb 1.47 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.76 3htj h GLU 171 CO 0.08 0.84 -0.39 0.28 -2.18 0.00 0.00 179.01 177.64 3htj h VAL 172 N -0.37 0.19 -0.94 0.32 2.07 -1.62 0.86 116.25 116.76 3htj h VAL 172 Ca -0.02 -0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 3htj h VAL 172 Cb 0.88 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 3htj h VAL 172 CO 0.04 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.16 3htj h LEU 173 N -1.10 0.72 0.34 2.57 3.38 -1.61 -1.74 115.31 117.86 3htj h LEU 173 Ca -0.11 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3htj h LEU 173 Cb 0.84 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3htj h LEU 173 CO 0.18 0.34 -0.16 0.74 0.09 0.00 0.00 178.44 179.63 3htj h THR 174 N 0.75 0.68 0.00 0.22 2.02 -1.03 -2.98 112.91 112.57 3htj h THR 174 Ca 0.49 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3htj h THR 174 Cb 0.75 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3htj h THR 174 CO -0.25 0.08 0.71 0.03 0.37 0.00 0.00 175.52 176.46 3htj h ARG 175 N -0.67 0.00 0.00 6.66 3.08 0.11 0.21 114.38 123.77 3htj h ARG 175 Ca -0.05 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.80 3htj h ARG 175 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 3htj h ARG 175 CO 0.08 0.00 -1.88 1.28 -1.07 0.00 0.00 179.97 178.38 3htj n LEU 176 N -2.65 0.39 0.00 3.04 4.77 -1.13 -5.10 117.00 116.31 3htj n LEU 176 Ca -0.01 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3htj n LEU 176 Cb 0.73 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 3htj n LEU 176 CO 0.06 0.24 0.18 0.00 -1.33 0.00 0.00 177.39 176.54