#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j n GLU 2 N 0.00 1.54 -3.28 1.61 1.02 -1.26 -4.86 120.64 115.41 3h1j n GLU 2 Ca 0.00 -0.52 -0.38 0.00 -0.02 0.00 0.00 57.16 56.24 3h1j n GLU 2 Cb 0.00 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 3h1j n GLU 2 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h1j s LEU 3 N -0.67 4.40 -0.11 -4.62 1.43 -1.26 -5.06 118.68 112.79 3h1j s LEU 3 Ca 0.09 1.05 -0.17 0.00 -1.03 0.00 0.00 54.13 54.07 3h1j s LEU 3 Cb 0.06 -2.81 0.04 0.00 0.03 0.00 0.00 46.19 43.51 3h1j s LEU 3 CO 0.04 0.12 0.44 -1.83 0.23 0.00 0.00 176.35 175.35 3h1j s GLU 4 N -0.16 0.64 -0.40 1.70 -1.05 -1.26 -4.83 118.70 113.33 3h1j s GLU 4 Ca 0.29 0.36 -0.17 0.00 -0.15 0.00 0.00 54.97 55.29 3h1j s GLU 4 Cb -0.17 0.30 0.01 0.00 -0.44 0.00 0.00 34.13 33.83 3h1j s GLU 4 CO 0.15 -0.13 0.44 -1.17 0.95 0.00 0.00 175.26 175.50 3h1j s LEU 5 N -0.37 4.73 0.30 1.83 2.96 -1.26 -5.06 118.68 121.81 3h1j s LEU 5 Ca -0.05 -0.53 -0.27 0.00 -0.22 0.00 0.00 54.13 53.05 3h1j s LEU 5 Cb -0.03 -2.40 -0.10 0.00 0.50 0.00 0.00 46.19 44.16 3h1j s LEU 5 CO 0.03 -0.54 0.95 -1.00 -1.32 0.00 0.00 176.35 174.47 3h1j s HIS 6 N 2.16 3.76 0.68 5.38 3.76 -1.26 -4.67 115.29 125.10 3h1j s HIS 6 Ca 0.13 1.82 -0.12 0.00 -0.15 0.00 0.00 55.06 56.73 3h1j s HIS 6 Cb -0.17 -2.94 0.01 0.00 1.11 0.00 0.00 32.58 30.59 3h1j s HIS 6 CO 0.13 0.25 1.07 -1.25 -0.85 0.00 0.00 174.74 174.10 3h1j s PRO 7 N -1.84 2.86 0.77 8.40 0.04 -1.26 -5.06 135.00 138.91 3h1j s PRO 7 Ca 0.48 1.12 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 3h1j s PRO 7 Cb -0.21 -1.97 0.18 0.00 0.04 0.00 0.00 34.50 32.54 3h1j s PRO 7 CO 0.26 -1.17 0.94 -0.35 0.04 0.00 0.00 177.00 176.72 3h1j n PRO 8 N -2.85 -1.39 -3.81 0.56 -0.04 -1.26 -4.98 135.00 121.23 3h1j n PRO 8 Ca 0.09 -1.46 -0.35 0.00 -0.04 0.00 0.00 63.50 61.73 3h1j n PRO 8 Cb 0.53 -1.06 -0.12 0.00 -0.04 0.00 0.00 33.50 32.81 3h1j n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1j s ALA 9 N -3.72 3.17 0.37 0.55 0.00 -1.26 -4.81 121.76 116.06 3h1j s ALA 9 Ca 0.55 -2.62 -0.25 0.00 0.00 0.00 0.00 51.96 49.64 3h1j s ALA 9 Cb -0.02 -2.37 -0.09 0.00 0.00 0.00 0.00 23.12 20.63 3h1j s ALA 9 CO 0.39 -1.82 1.02 -0.06 0.00 0.00 0.00 175.76 175.29 3h1j s PHE 10 N 0.96 3.41 -1.49 0.00 0.40 -1.26 -4.93 117.98 115.07 3h1j s PHE 10 Ca 0.10 1.69 -0.12 0.00 -0.60 0.00 0.00 56.93 57.99 3h1j s PHE 10 Cb -0.22 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.22 3h1j s PHE 10 CO -0.05 -0.36 2.54 -0.35 0.70 0.00 0.00 175.22 177.70 3h1j n PRO 11 N 0.16 3.15 -1.69 0.24 -0.04 -1.26 -4.98 135.00 130.58 3h1j n PRO 11 Ca 0.04 -2.36 -0.43 0.00 -0.04 0.00 0.00 63.50 60.71 3h1j n PRO 11 Cb 0.50 -3.03 -0.01 0.00 -0.04 0.00 0.00 33.50 30.91 3h1j n PRO 11 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3h1j n TRP 12 N 4.99 2.28 0.09 0.54 7.02 -1.26 -4.83 117.44 126.26 3h1j n TRP 12 Ca 0.63 0.49 0.06 0.00 -1.02 0.00 0.00 57.50 57.66 3h1j n TRP 12 Cb 0.31 -2.44 0.31 0.00 -2.42 0.00 0.00 31.31 27.07 3h1j n TRP 12 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3h1j n SER 13 N 1.33 0.29 -0.65 -0.99 3.41 -1.26 -0.84 113.62 114.91 3h1j n SER 13 Ca 0.07 0.64 0.06 0.00 -0.26 0.00 0.00 58.87 59.38 3h1j n SER 13 Cb 0.35 -0.68 0.15 0.00 -0.26 0.00 0.00 64.21 63.77 3h1j n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1j n HIS 14 N -1.90 0.45 -0.27 7.33 -0.00 -1.25 -4.50 115.22 115.07 3h1j n HIS 14 Ca -0.01 -0.47 -0.06 0.00 -0.00 0.00 0.00 57.72 57.19 3h1j n HIS 14 Cb 0.02 -0.02 0.06 0.00 -0.00 0.00 0.00 29.99 30.04 3h1j n HIS 14 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3h1j h GLY 15 N 2.10 1.20 -3.44 -1.39 0.00 -1.22 -3.44 103.07 96.88 3h1j h GLY 15 Ca 0.00 -0.64 -0.53 0.00 0.00 0.00 0.00 47.33 46.16 3h1j h GLY 15 CO 0.00 0.61 0.62 -0.32 0.00 0.00 0.00 176.54 177.45 3h1j s GLY 16 N -3.28 2.93 0.64 4.60 0.00 -1.26 -4.89 107.32 106.05 3h1j s GLY 16 Ca -0.13 1.26 0.25 0.00 0.00 0.00 0.00 44.72 46.10 3h1j s GLY 16 CO 0.83 1.85 1.74 -0.56 0.00 0.00 0.00 173.10 176.95 3h1j h PRO 17 N 2.67 0.00 -0.06 2.90 0.13 -2.00 0.62 132.00 136.26 3h1j h PRO 17 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3h1j h PRO 17 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3h1j h PRO 17 CO 0.63 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.68 3h1j n LEU 18 N -3.06 1.83 -4.56 1.56 4.77 -1.26 -4.80 117.00 111.48 3h1j n LEU 18 Ca 0.02 -1.29 -0.43 0.00 -0.03 0.00 0.00 56.01 54.29 3h1j n LEU 18 Cb 0.61 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 3h1j n LEU 18 CO 0.16 0.41 0.64 -0.44 -1.33 0.00 0.00 177.39 176.82 3h1j s SER 19 N -0.67 6.47 1.01 -1.43 0.01 0.22 -4.97 113.70 114.33 3h1j s SER 19 Ca 0.09 0.06 -0.13 0.00 1.31 0.00 0.00 55.95 57.28 3h1j s SER 19 Cb 0.06 -2.41 0.19 0.00 0.21 0.00 0.00 66.02 64.07 3h1j s SER 19 CO 0.08 -0.93 1.12 0.00 0.41 0.00 0.00 173.24 173.92 3h1j s ALA 20 N 3.43 1.15 0.55 1.44 0.00 -1.26 -4.49 121.76 122.57 3h1j s ALA 20 Ca 0.33 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.60 3h1j s ALA 20 Cb -0.12 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 3h1j s ALA 20 CO 0.23 -2.80 1.01 -0.51 0.00 0.00 0.00 175.76 173.69 3h1j s LEU 21 N -6.40 3.55 -0.72 0.00 1.43 -1.26 -3.85 118.68 111.43 3h1j s LEU 21 Ca 0.66 1.61 -0.22 0.00 -1.03 0.00 0.00 54.13 55.16 3h1j s LEU 21 Cb -0.16 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.63 3h1j s LEU 21 CO 0.56 -0.76 0.99 -0.62 0.23 0.00 0.00 176.35 176.75 3h1j s ASP 22 N -3.11 6.27 0.53 2.29 2.15 -1.26 -4.90 116.67 118.63 3h1j s ASP 22 Ca 0.60 -1.22 0.22 0.00 0.43 0.00 0.00 52.55 52.58 3h1j s ASP 22 Cb -0.11 -2.41 1.36 0.00 -0.30 0.00 0.00 42.92 41.46 3h1j s ASP 22 CO 0.35 -1.36 2.05 0.45 -0.17 0.00 0.00 175.17 176.49 3h1j h HIS 23 N 9.42 0.00 -0.16 -5.34 3.86 -1.93 -0.41 115.15 120.59 3h1j h HIS 23 Ca -0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 3h1j h HIS 23 Cb 1.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 3h1j h HIS 23 CO 1.01 0.00 0.08 0.77 0.86 0.00 0.00 177.93 180.64 3h1j h SER 24 N 0.00 0.20 0.24 2.45 0.02 -1.91 0.21 113.55 114.77 3h1j h SER 24 Ca 0.16 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3h1j h SER 24 Cb 0.65 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3h1j h SER 24 CO -0.00 0.26 -0.26 -1.28 -1.14 0.00 0.00 176.83 174.41 3h1j h SER 25 N 0.13 0.04 0.07 3.07 0.87 -1.53 -1.11 113.55 115.09 3h1j h SER 25 Ca 0.05 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 3h1j h SER 25 Cb 0.11 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3h1j h SER 25 CO -0.01 0.30 -0.56 0.58 -0.53 0.00 0.00 176.83 176.61 3h1j h VAL 26 N 0.03 1.33 0.11 2.23 2.07 -0.53 -0.31 116.25 121.18 3h1j h VAL 26 Ca 0.00 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 3h1j h VAL 26 Cb 0.49 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3h1j h VAL 26 CO 0.04 0.56 -0.05 -0.09 0.02 0.00 0.00 177.57 178.05 3h1j h ARG 27 N 0.40 -0.15 0.02 1.57 2.43 0.12 -2.16 114.38 116.61 3h1j h ARG 27 Ca 0.00 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3h1j h ARG 27 Cb 1.11 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 3h1j h ARG 27 CO 0.10 0.01 -0.24 0.00 -1.51 0.00 0.00 179.97 178.34 3h1j h ARG 28 N -0.28 -0.37 -0.84 0.20 3.08 -1.12 -2.16 114.38 112.89 3h1j h ARG 28 Ca -0.02 0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.26 3h1j h ARG 28 Cb 0.23 0.08 -0.12 0.00 0.08 0.00 0.00 29.97 30.24 3h1j h ARG 28 CO 0.03 -0.25 0.31 0.78 -1.07 0.00 0.00 179.97 179.77 3h1j h GLY 29 N -0.38 1.35 -0.05 0.04 0.00 -0.93 0.49 103.07 103.59 3h1j h GLY 29 Ca 0.06 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.34 3h1j h GLY 29 CO -0.20 -0.24 -0.31 -2.75 0.00 0.00 0.00 176.54 173.04 3h1j h PHE 30 N 0.36 -0.84 -0.45 5.60 3.57 -0.72 0.16 116.94 124.61 3h1j h PHE 30 Ca 0.51 0.05 0.09 0.00 3.53 0.00 0.00 57.97 62.15 3h1j h PHE 30 Cb 0.92 0.42 -0.09 0.00 2.79 0.00 0.00 35.95 39.99 3h1j h PHE 30 CO -0.19 -0.37 -0.20 0.37 -2.23 0.00 0.00 178.31 175.69 3h1j h GLN 31 N -0.28 -0.10 -0.77 1.11 4.15 -0.76 0.74 115.11 119.20 3h1j h GLN 31 Ca 0.15 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.68 3h1j h GLN 31 Cb 0.52 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.16 3h1j h GLN 31 CO -0.48 -0.07 0.41 0.28 -1.93 0.00 0.00 178.83 177.04 3h1j h VAL 32 N -0.11 0.86 0.21 2.39 2.07 -0.56 0.87 116.25 121.98 3h1j h VAL 32 Ca 0.22 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3h1j h VAL 32 Cb 0.44 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3h1j h VAL 32 CO -0.52 0.12 -0.10 0.22 0.02 0.00 0.00 177.57 177.31 3h1j h TYR 33 N 0.67 -0.26 0.62 1.57 3.20 0.17 -0.46 116.97 122.48 3h1j h TYR 33 Ca 0.38 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 3h1j h TYR 33 Cb 0.40 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3h1j h TYR 33 CO -0.09 0.05 -0.47 -0.22 -1.64 0.00 0.00 178.16 175.80 3h1j h LYS 34 N -0.60 -1.01 0.00 1.82 3.64 0.12 0.56 116.57 121.09 3h1j h LYS 34 Ca -0.03 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3h1j h LYS 34 Cb 0.44 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3h1j h LYS 34 CO 0.05 -0.67 0.00 1.04 -2.27 0.00 0.00 179.45 177.59 3h1j n GLN 35 N -5.57 0.10 0.08 1.90 6.02 0.29 -4.22 117.38 115.97 3h1j n GLN 35 Ca -0.13 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3h1j n GLN 35 Cb 0.46 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3h1j n GLN 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h1j n VAL 36 N -1.45 0.52 -0.14 5.09 0.31 -0.21 -4.94 118.33 117.51 3h1j n VAL 36 Ca 0.08 0.17 -0.11 0.00 -0.01 0.00 0.00 64.34 64.47 3h1j n VAL 36 Cb 0.28 -0.96 -0.01 0.00 -0.91 0.00 0.00 33.84 32.24 3h1j n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h1j h SER 38 N 0.63 0.00 0.30 0.00 4.64 -0.06 0.66 113.55 119.71 3h1j h SER 38 Ca 0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3h1j h SER 38 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3h1j h SER 38 CO 0.04 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.94 3h1j h ALA 39 N 1.21 1.24 0.00 5.18 0.00 -1.81 -3.32 119.26 121.77 3h1j h ALA 39 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h1j h ALA 39 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3h1j h ALA 39 CO 0.00 0.08 -0.31 0.00 0.00 0.00 0.00 179.25 179.02 3h1j s HIS 41 N -0.64 3.01 0.22 0.00 3.76 -0.11 -4.70 115.29 116.82 3h1j s HIS 41 Ca 0.00 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 54.67 3h1j s HIS 41 Cb 0.00 -1.87 -0.06 0.00 1.11 0.00 0.00 32.58 31.76 3h1j s HIS 41 CO 0.00 0.11 0.50 -1.54 -0.85 0.00 0.00 174.74 172.96 3h1j s SER 42 N -0.08 6.53 -0.47 1.40 1.04 -1.26 -4.20 113.70 116.66 3h1j s SER 42 Ca 0.02 0.76 0.08 0.00 0.48 0.00 0.00 55.95 57.29 3h1j s SER 42 Cb -0.13 -2.16 0.28 0.00 0.10 0.00 0.00 66.02 64.11 3h1j s SER 42 CO 0.03 -0.07 0.67 0.80 0.98 0.00 0.00 173.24 175.64 3h1j n MET 43 N -0.32 1.51 -0.05 4.02 0.00 -1.26 -1.10 117.12 119.92 3h1j n MET 43 Ca -0.01 -3.81 0.24 0.00 0.00 0.00 0.00 57.70 54.12 3h1j n MET 43 Cb 0.53 -1.69 0.72 0.00 0.00 0.00 0.00 33.22 32.78 3h1j n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3h1j h ASP 44 N 3.75 0.00 -0.56 6.12 3.32 -1.96 -2.85 116.42 124.23 3h1j h ASP 44 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h1j h ASP 44 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3h1j h ASP 44 CO 0.60 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.90 3h1j n TYR 45 N -4.13 0.97 -5.10 4.55 4.02 -1.26 -4.77 117.16 111.45 3h1j n TYR 45 Ca 0.13 -0.43 -0.29 0.00 -0.01 0.00 0.00 57.90 57.30 3h1j n TYR 45 Cb 0.76 -0.09 -0.16 0.00 -0.02 0.00 0.00 39.34 39.84 3h1j n TYR 45 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h1j s VAL 46 N -1.46 1.83 0.18 -0.72 1.01 -1.08 -5.06 120.40 115.09 3h1j s VAL 46 Ca 0.40 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.44 3h1j s VAL 46 Cb 0.23 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3h1j s VAL 46 CO 0.24 0.48 -0.16 0.00 0.00 0.00 0.00 175.10 175.66 3h1j s ALA 47 N -0.57 1.97 0.52 5.51 0.00 -1.26 -0.74 121.76 127.19 3h1j s ALA 47 Ca 0.09 -1.54 0.27 0.00 0.00 0.00 0.00 51.96 50.78 3h1j s ALA 47 Cb -0.09 -0.14 1.40 0.00 0.00 0.00 0.00 23.12 24.29 3h1j s ALA 47 CO -0.01 0.16 1.94 0.74 0.00 0.00 0.00 175.76 178.59 3h1j h PHE 48 N 3.01 0.05 -0.18 0.00 -1.00 -1.56 0.40 116.94 117.66 3h1j h PHE 48 Ca -0.40 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.33 3h1j h PHE 48 Cb 1.21 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.74 3h1j h PHE 48 CO 0.69 0.02 -0.12 0.07 -1.61 0.00 0.00 178.31 177.36 3h1j h ARG 49 N 0.04 0.28 -0.00 1.51 0.11 -1.36 -2.08 114.38 112.87 3h1j h ARG 49 Ca 0.35 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.36 3h1j h ARG 49 Cb 1.33 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.37 3h1j h ARG 49 CO -0.02 0.41 0.00 -0.91 0.10 0.00 0.00 179.97 179.55 3h1j h ASN 50 N 0.27 0.00 -0.27 0.08 2.35 -0.48 -1.81 115.58 115.71 3h1j h ASN 50 Ca 0.05 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 3h1j h ASN 50 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 3h1j h ASN 50 CO 0.02 0.00 -0.45 -0.07 -1.65 0.00 0.00 177.43 175.28 3h1j h LEU 51 N 0.00 0.87 -9.18 1.61 3.38 -1.44 -3.42 115.31 107.12 3h1j h LEU 51 Ca 0.00 -0.52 -0.72 0.00 0.09 0.00 0.00 57.88 56.73 3h1j h LEU 51 Cb 0.01 -0.25 0.04 0.00 0.09 0.00 0.00 40.66 40.54 3h1j h LEU 51 CO -0.00 1.22 0.61 -0.38 0.09 0.00 0.00 178.44 179.99 3h1j n ILE 52 N -4.12 0.12 -0.96 1.22 5.41 -0.68 -0.97 119.36 119.38 3h1j n ILE 52 Ca -0.04 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.68 3h1j n ILE 52 Cb 0.57 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 3h1j n ILE 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3h1j n GLY 53 N 3.19 0.46 1.04 7.39 0.00 0.05 -4.76 105.19 112.55 3h1j n GLY 53 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3h1j n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h1j n VAL 54 N -2.52 0.84 -0.01 1.61 0.31 -0.14 -4.95 118.33 113.46 3h1j n VAL 54 Ca 0.00 0.28 -0.01 0.00 -0.01 0.00 0.00 64.34 64.59 3h1j n VAL 54 Cb 0.10 -1.40 -0.02 0.00 -0.91 0.00 0.00 33.84 31.61 3h1j n VAL 54 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3h1j n THR 55 N -3.18 0.20 -4.39 2.52 -2.24 -0.31 -4.90 114.28 101.97 3h1j n THR 55 Ca 0.00 -0.12 -0.20 0.00 -2.27 0.00 0.00 64.05 61.46 3h1j n THR 55 Cb 0.00 -0.91 -0.10 0.00 -2.10 0.00 0.00 70.33 67.22 3h1j n THR 55 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3h1j s HIS 56 N -2.07 1.82 0.54 4.78 4.02 -1.02 -4.87 115.29 118.50 3h1j s HIS 56 Ca -0.02 -0.67 -0.10 0.00 1.02 0.00 0.00 55.06 55.29 3h1j s HIS 56 Cb 0.01 -0.97 -0.05 0.00 -1.02 0.00 0.00 32.58 30.55 3h1j s HIS 56 CO 0.11 0.28 0.93 0.95 1.02 0.00 0.00 174.74 178.04 3h1j s THR 57 N -3.03 4.75 0.24 1.30 -4.23 -1.26 -0.77 115.64 112.64 3h1j s THR 57 Ca 0.27 0.71 -0.05 0.00 -1.18 0.00 0.00 61.69 61.44 3h1j s THR 57 Cb 0.02 -3.83 0.21 0.00 1.34 0.00 0.00 72.50 70.24 3h1j s THR 57 CO 0.10 -0.94 1.74 -0.08 -0.54 0.00 0.00 174.62 174.89 3h1j h GLU 58 N 0.17 0.45 0.37 3.99 4.81 -1.96 -1.24 114.58 121.16 3h1j h GLU 58 Ca -0.46 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 3h1j h GLU 58 Cb 1.19 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 3h1j h GLU 58 CO 0.62 0.29 -0.31 0.00 -0.73 0.00 0.00 179.01 178.88 3h1j h ALA 59 N 1.53 -0.69 -0.83 2.92 0.00 -1.99 -0.56 119.26 119.63 3h1j h ALA 59 Ca 0.40 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.38 3h1j h ALA 59 Cb 0.58 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 3h1j h ALA 59 CO -0.38 -0.92 0.33 0.93 0.00 0.00 0.00 179.25 179.21 3h1j h GLU 60 N -0.69 0.39 -0.28 0.00 5.08 -1.72 0.13 114.58 117.49 3h1j h GLU 60 Ca -0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3h1j h GLU 60 Cb 0.60 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3h1j h GLU 60 CO -0.03 0.25 0.03 0.00 -1.00 0.00 0.00 179.01 178.27 3h1j h ALA 61 N 1.65 0.38 -0.37 3.43 0.00 -0.84 -0.62 119.26 122.89 3h1j h ALA 61 Ca 0.49 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3h1j h ALA 61 Cb 0.86 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3h1j h ALA 61 CO -0.49 0.09 0.13 -0.22 0.00 0.00 0.00 179.25 178.76 3h1j h LYS 62 N 0.28 0.28 0.29 0.00 3.64 0.31 0.05 116.57 121.42 3h1j h LYS 62 Ca 0.08 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3h1j h LYS 62 Cb 0.38 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3h1j h LYS 62 CO 0.01 0.18 -0.41 0.00 -2.27 0.00 0.00 179.45 176.96 3h1j h ALA 63 N 1.23 -1.02 -0.98 5.00 0.00 -0.57 -0.86 119.26 122.07 3h1j h ALA 63 Ca 0.17 -0.13 0.28 0.00 0.00 0.00 0.00 54.91 55.22 3h1j h ALA 63 Cb 0.14 0.70 -0.14 0.00 0.00 0.00 0.00 17.79 18.50 3h1j h ALA 63 CO -0.17 -1.07 0.53 -0.07 0.00 0.00 0.00 179.25 178.47 3h1j h LEU 64 N -0.73 0.51 0.52 0.00 3.38 -0.85 -1.41 115.31 116.73 3h1j h LEU 64 Ca -0.03 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3h1j h LEU 64 Cb 0.67 0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.53 3h1j h LEU 64 CO -0.12 -0.04 -0.25 0.00 0.09 0.00 0.00 178.44 178.13 3h1j h ALA 65 N 1.79 -0.70 -0.03 1.53 0.00 -0.08 -3.01 119.26 118.75 3h1j h ALA 65 Ca 0.67 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.42 3h1j h ALA 65 Cb 1.39 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 3h1j h ALA 65 CO -0.56 -0.88 0.04 0.93 0.00 0.00 0.00 179.25 178.79 3h1j h GLU 66 N -0.73 0.00 0.00 0.00 5.08 -0.08 -1.85 114.58 117.00 3h1j h GLU 66 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3h1j h GLU 66 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3h1j h GLU 66 CO 0.12 0.00 0.01 0.39 -1.00 0.00 0.00 179.01 178.52 3h1j n GLU 67 N -3.60 0.00 -4.90 2.33 1.02 -1.01 -3.92 120.64 110.56 3h1j n GLU 67 Ca -0.02 0.49 -0.33 0.00 -0.02 0.00 0.00 57.16 57.28 3h1j n GLU 67 Cb 0.12 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 3h1j n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h1j s VAL 68 N -2.98 2.98 0.01 2.62 1.01 -0.70 -5.02 120.40 118.33 3h1j s VAL 68 Ca 0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 3h1j s VAL 68 Cb 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 3h1j s VAL 68 CO 0.00 0.58 0.69 -1.61 0.00 0.00 0.00 175.10 174.76 3h1j s GLU 69 N -0.47 4.42 0.05 2.72 0.41 -1.26 -1.31 118.70 123.26 3h1j s GLU 69 Ca 0.06 0.92 0.09 0.00 -0.41 0.00 0.00 54.97 55.63 3h1j s GLU 69 Cb -0.12 -3.37 -0.03 0.00 -1.78 0.00 0.00 34.13 28.83 3h1j s GLU 69 CO 0.02 0.28 -0.26 0.08 -0.49 0.00 0.00 175.26 174.89 3h1j s VAL 70 N 0.03 2.08 -0.14 2.63 1.01 0.27 -4.88 120.40 121.40 3h1j s VAL 70 Ca 0.36 -1.39 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 3h1j s VAL 70 Cb -0.19 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3h1j s VAL 70 CO 0.20 0.33 0.55 -1.58 0.00 0.00 0.00 175.10 174.60 3h1j s GLN 71 N -1.28 4.30 0.00 2.72 0.74 -1.26 -0.41 119.66 124.47 3h1j s GLN 71 Ca 0.11 0.54 0.00 0.00 0.05 0.00 0.00 55.36 56.06 3h1j s GLN 71 Cb -0.10 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 30.52 3h1j s GLN 71 CO 0.02 0.00 0.00 -3.47 -0.55 0.00 0.00 175.29 171.29 3h1j n ASP 72 N 4.19 1.04 0.00 6.67 4.64 0.10 -4.94 116.55 128.25 3h1j n ASP 72 Ca -0.05 -0.92 0.00 0.00 -1.38 0.00 0.00 54.79 52.44 3h1j n ASP 72 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 3h1j n ASP 72 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h1j n GLY 73 N 2.61 -0.37 3.67 0.27 0.00 -1.26 -1.67 105.19 108.45 3h1j n GLY 73 Ca 0.00 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 3h1j n GLY 73 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h1j s PRO 74 N 0.00 0.56 0.00 1.61 0.04 -1.26 -5.01 135.00 130.94 3h1j s PRO 74 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.67 3h1j s PRO 74 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 3h1j s PRO 74 CO 0.00 -2.67 0.00 -0.40 0.04 0.00 0.00 177.00 173.97 3h1j n ASP 75 N -4.15 0.00 0.27 6.66 5.68 0.12 -4.76 116.55 120.37 3h1j n ASP 75 Ca 0.06 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.49 3h1j n ASP 75 Cb 0.56 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.24 3h1j n ASP 75 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3h1j h GLU 76 N 0.00 0.00 -0.36 0.11 3.07 -2.02 -2.19 114.58 113.19 3h1j h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3h1j h GLU 76 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3h1j h GLU 76 CO 0.00 0.09 0.00 0.09 -1.40 0.00 0.00 179.01 177.79 3h1j n ASN 77 N -3.32 3.03 -0.68 1.42 3.02 -1.26 -4.93 115.26 112.54 3h1j n ASN 77 Ca -0.01 -1.91 -0.04 0.00 -0.03 0.00 0.00 54.58 52.60 3h1j n ASN 77 Cb 0.29 -0.24 0.01 0.00 -0.61 0.00 0.00 39.78 39.23 3h1j n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1j n GLY 78 N 0.89 0.46 3.74 7.41 0.00 -0.82 -5.04 105.19 111.83 3h1j n GLY 78 Ca 0.14 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 3h1j n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h1j s GLU 79 N -4.67 2.96 0.72 1.61 0.41 -1.26 -4.65 118.70 113.83 3h1j s GLU 79 Ca 0.05 -0.52 -0.08 0.00 -0.41 0.00 0.00 54.97 54.01 3h1j s GLU 79 Cb -0.02 -2.79 0.06 0.00 -1.78 0.00 0.00 34.13 29.60 3h1j s GLU 79 CO 0.06 0.65 1.05 -0.51 -0.49 0.00 0.00 175.26 176.01 3h1j s LEU 80 N -1.60 2.76 -0.11 1.80 1.43 -1.26 0.15 118.68 121.85 3h1j s LEU 80 Ca 0.21 0.55 -0.33 0.00 -1.03 0.00 0.00 54.13 53.53 3h1j s LEU 80 Cb -0.12 -3.17 0.13 0.00 0.03 0.00 0.00 46.19 43.06 3h1j s LEU 80 CO 0.11 -1.64 1.16 0.72 0.23 0.00 0.00 176.35 176.94 3h1j s PHE 81 N -3.31 -0.14 0.55 0.29 -0.12 -0.67 -4.89 117.98 109.69 3h1j s PHE 81 Ca 0.60 0.05 -0.02 0.00 -0.05 0.00 0.00 56.93 57.51 3h1j s PHE 81 Cb -0.11 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 42.83 3h1j s PHE 81 CO 0.46 -0.30 0.81 -1.64 -0.05 0.00 0.00 175.22 174.50 3h1j s MET 82 N -2.57 2.79 -0.01 1.99 -1.94 -1.26 0.01 119.30 118.31 3h1j s MET 82 Ca 0.10 -0.36 -0.28 0.00 -1.71 0.00 0.00 55.69 53.43 3h1j s MET 82 Cb 0.00 -2.40 0.10 0.00 2.01 0.00 0.00 34.83 34.54 3h1j s MET 82 CO -0.05 -0.63 0.86 -0.98 -0.01 0.00 0.00 175.02 174.21 3h1j s ARG 83 N -4.83 0.85 1.09 2.03 1.70 0.45 -4.83 118.95 115.42 3h1j s ARG 83 Ca 0.54 -0.22 -0.13 0.00 -0.47 0.00 0.00 55.73 55.45 3h1j s ARG 83 Cb -0.10 0.39 0.24 0.00 -0.57 0.00 0.00 34.95 34.91 3h1j s ARG 83 CO 0.41 -0.35 1.06 -1.25 -1.08 0.00 0.00 175.30 174.09 3h1j s PRO 84 N -2.78 -0.36 0.38 3.89 0.04 -1.26 0.98 135.00 135.89 3h1j s PRO 84 Ca 0.03 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 61.68 3h1j s PRO 84 Cb -0.01 -1.63 -0.08 0.00 0.04 0.00 0.00 34.50 32.83 3h1j s PRO 84 CO -0.07 -3.32 0.78 0.20 0.04 0.00 0.00 177.00 174.63 3h1j s GLY 85 N -2.88 2.16 0.23 0.56 0.00 -0.43 -4.46 107.32 102.50 3h1j s GLY 85 Ca 0.67 -0.03 0.10 0.00 0.00 0.00 0.00 44.72 45.46 3h1j s GLY 85 CO 0.62 0.18 -0.07 0.54 0.00 0.00 0.00 173.10 174.37 3h1j s LYS 86 N -3.43 2.11 0.35 2.90 1.02 -1.26 -3.51 119.74 117.91 3h1j s LYS 86 Ca 0.54 -1.39 0.25 0.00 0.02 0.00 0.00 55.97 55.39 3h1j s LYS 86 Cb -0.10 -2.11 1.23 0.00 -0.52 0.00 0.00 37.83 36.33 3h1j s LYS 86 CO 0.24 0.39 1.76 -0.84 -0.92 0.00 0.00 175.35 175.98 3h1j h ILE 87 N 2.35 0.00 0.00 2.17 3.07 -1.88 -0.44 117.51 122.78 3h1j h ILE 87 Ca -0.45 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 65.85 3h1j h ILE 87 Cb 1.23 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 3h1j h ILE 87 CO 0.57 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 176.13 3h1j n SER 88 N -2.38 0.82 -4.82 2.16 3.41 -1.26 -1.06 113.62 110.50 3h1j n SER 88 Ca -0.00 0.59 -0.32 0.00 -0.26 0.00 0.00 58.87 58.88 3h1j n SER 88 Cb 0.12 -0.80 0.02 0.00 -0.26 0.00 0.00 64.21 63.28 3h1j n SER 88 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h1j s ASP 89 N -4.54 5.78 0.45 4.04 1.01 -0.17 -4.90 116.67 118.34 3h1j s ASP 89 Ca 0.10 1.67 0.02 0.00 0.71 0.00 0.00 52.55 55.05 3h1j s ASP 89 Cb 0.12 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.54 3h1j s ASP 89 CO 0.58 -1.17 0.65 -0.31 0.21 0.00 0.00 175.17 175.13 3h1j s TYR 90 N -2.76 3.13 0.23 4.23 1.51 -1.26 -2.77 117.35 119.65 3h1j s TYR 90 Ca 0.60 0.09 -0.31 0.00 -1.01 0.00 0.00 57.07 56.44 3h1j s TYR 90 Cb -0.14 -2.33 -0.11 0.00 -0.11 0.00 0.00 41.96 39.26 3h1j s TYR 90 CO 0.44 -0.39 1.64 -0.06 -1.11 0.00 0.00 175.55 176.07 3h1j s PHE 91 N -2.52 2.88 -0.04 2.71 0.08 0.09 -4.87 117.98 116.32 3h1j s PHE 91 Ca 0.49 0.59 -0.36 0.00 0.12 0.00 0.00 56.93 57.77 3h1j s PHE 91 Cb -0.10 -4.06 -0.14 0.00 -0.57 0.00 0.00 43.02 38.15 3h1j s PHE 91 CO 0.37 -3.82 1.68 -2.30 -0.10 0.00 0.00 175.22 171.04 3h1j n PRO 92 N 3.23 1.76 -2.45 0.24 -0.02 -1.26 -4.49 135.00 132.01 3h1j n PRO 92 Ca 0.12 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 3h1j n PRO 92 Cb 0.37 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 3h1j n PRO 92 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3h1j s LYS 93 N 2.50 4.42 0.43 -0.52 1.02 -1.26 -4.73 119.74 121.60 3h1j s LYS 93 Ca 0.89 1.72 0.30 0.00 0.02 0.00 0.00 55.97 58.90 3h1j s LYS 93 Cb -0.82 -3.41 1.25 0.00 -0.52 0.00 0.00 37.83 34.33 3h1j s LYS 93 CO 0.50 -0.29 1.88 -1.00 -0.92 0.00 0.00 175.35 175.53 3h1j h PRO 94 N 6.97 0.00 -3.99 -1.68 0.13 -1.84 -3.43 132.00 128.15 3h1j h PRO 94 Ca -0.40 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.57 3h1j h PRO 94 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 3h1j h PRO 94 CO 0.82 0.00 -0.69 0.71 -0.23 0.00 0.00 178.00 178.61 3h1j s TYR 95 N -3.54 0.28 -1.39 1.56 1.51 -1.26 -5.02 117.35 109.50 3h1j s TYR 95 Ca 0.02 -0.57 0.25 0.00 -1.01 0.00 0.00 57.07 55.76 3h1j s TYR 95 Cb 0.09 -0.20 1.24 0.00 -0.11 0.00 0.00 41.96 42.97 3h1j s TYR 95 CO 0.47 -0.21 1.83 -0.35 -1.11 0.00 0.00 175.55 176.17 3h1j n PRO 96 N 1.44 0.32 0.00 -1.71 -0.04 -1.26 -4.88 135.00 128.86 3h1j n PRO 96 Ca -0.23 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3h1j n PRO 96 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3h1j n PRO 96 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3h1j n ASN 97 N -1.31 0.00 -0.28 3.54 0.23 -1.26 -5.03 115.26 111.16 3h1j n ASN 97 Ca 0.11 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.26 3h1j n ASN 97 Cb 0.21 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.15 3h1j n ASN 97 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 3h1j h PRO 98 N 0.00 0.21 -0.69 -0.53 0.13 -1.99 -0.14 132.00 129.00 3h1j h PRO 98 Ca 0.00 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 65.26 3h1j h PRO 98 Cb 0.00 -0.05 -0.11 0.00 0.13 0.00 0.00 31.00 30.98 3h1j h PRO 98 CO 0.00 0.14 0.11 0.93 -0.23 0.00 0.00 178.00 178.95 3h1j h GLU 99 N 0.22 0.21 -0.28 0.86 3.07 -1.98 0.73 114.58 117.40 3h1j h GLU 99 Ca 0.50 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.29 3h1j h GLU 99 Cb 0.95 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 3h1j h GLU 99 CO -0.62 0.14 -0.05 0.00 -1.40 0.00 0.00 179.01 177.08 3h1j h ALA 100 N 1.58 0.39 0.36 3.43 0.00 -1.45 -0.40 119.26 123.17 3h1j h ALA 100 Ca 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3h1j h ALA 100 Cb 0.63 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3h1j h ALA 100 CO -0.51 0.19 -0.21 0.00 0.00 0.00 0.00 179.25 178.72 3h1j h ALA 101 N 0.79 -0.52 -0.51 0.00 0.00 -0.45 -1.34 119.26 117.23 3h1j h ALA 101 Ca 0.07 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3h1j h ALA 101 Cb 0.52 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 3h1j h ALA 101 CO 0.03 -0.80 0.13 0.00 0.00 0.00 0.00 179.25 178.61 3h1j h ARG 102 N -0.53 0.28 -1.01 0.00 3.08 0.42 0.60 114.38 117.22 3h1j h ARG 102 Ca -0.04 -0.02 0.22 0.00 0.07 0.00 0.00 59.98 60.22 3h1j h ARG 102 Cb 0.43 -0.06 -0.12 0.00 0.08 0.00 0.00 29.97 30.30 3h1j h ARG 102 CO 0.05 0.18 0.61 0.00 -1.07 0.00 0.00 179.97 179.74 3h1j h ALA 103 N 1.38 1.77 -0.36 0.04 0.00 -0.56 0.29 119.26 121.80 3h1j h ALA 103 Ca 0.25 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3h1j h ALA 103 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h1j h ALA 103 CO -0.30 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 178.75 3h1j n ALA 104 N -2.33 2.87 -2.50 0.00 0.00 0.16 -4.23 120.51 114.49 3h1j n ALA 104 Ca 0.25 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3h1j n ALA 104 Cb 0.68 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 19.13 3h1j n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h1j n ASN 105 N 0.50 0.42 -0.88 0.00 3.02 0.31 -4.98 115.26 113.66 3h1j n ASN 105 Ca 0.14 -2.03 -0.11 0.00 -0.03 0.00 0.00 54.58 52.55 3h1j n ASN 105 Cb 0.57 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.60 3h1j n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h1j n ASN 106 N -0.12 -4.21 0.00 6.41 3.02 -1.15 -1.61 115.26 117.61 3h1j n ASN 106 Ca -0.04 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 3h1j n ASN 106 Cb 0.94 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 37.34 3h1j n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h1j n GLY 107 N -1.57 1.37 3.76 7.41 0.00 0.74 -5.01 105.19 111.89 3h1j n GLY 107 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3h1j n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j s ALA 108 N -2.66 3.32 -0.35 4.61 0.00 -0.63 -4.79 121.76 121.26 3h1j s ALA 108 Ca 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.62 3h1j s ALA 108 Cb 0.00 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 19.93 3h1j s ALA 108 CO 0.00 0.04 0.11 -1.17 0.00 0.00 0.00 175.76 174.74 3h1j s LEU 109 N -1.54 4.49 0.09 0.00 2.96 -1.26 -3.94 118.68 119.47 3h1j s LEU 109 Ca 0.45 -1.39 -0.31 0.00 -0.22 0.00 0.00 54.13 52.67 3h1j s LEU 109 Cb -0.27 -1.83 -0.08 0.00 0.50 0.00 0.00 46.19 44.51 3h1j s LEU 109 CO 0.33 -0.38 1.54 -2.16 -1.32 0.00 0.00 176.35 174.37 3h1j s PRO 110 N 1.32 4.24 0.59 0.98 0.04 -1.26 -4.97 135.00 135.93 3h1j s PRO 110 Ca -0.00 2.23 -0.14 0.00 0.04 0.00 0.00 61.00 63.13 3h1j s PRO 110 Cb -0.21 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 3h1j s PRO 110 CO 0.00 -0.62 1.03 -1.25 0.04 0.00 0.00 177.00 176.20 3h1j s PRO 111 N 1.95 3.50 0.15 0.56 0.04 -1.26 -4.85 135.00 135.09 3h1j s PRO 111 Ca 0.70 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 3h1j s PRO 111 Cb -0.39 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 3h1j s PRO 111 CO 0.31 -0.65 1.30 0.34 0.04 0.00 0.00 177.00 178.34 3h1j s ASP 112 N -3.31 6.93 0.00 6.66 -1.08 -1.26 -4.47 116.67 120.13 3h1j s ASP 112 Ca 0.59 2.30 0.28 0.00 -0.52 0.00 0.00 52.55 55.21 3h1j s ASP 112 Cb -0.13 -2.60 1.16 0.00 -1.46 0.00 0.00 42.92 39.89 3h1j s ASP 112 CO 0.41 -0.53 1.82 0.18 0.52 0.00 0.00 175.17 177.58 3h1j n LEU 113 N 3.17 0.47 -0.38 -1.34 4.77 -0.26 -4.43 117.00 119.00 3h1j n LEU 113 Ca 0.08 0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 3h1j n LEU 113 Cb 0.43 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 3h1j n LEU 113 CO 0.57 0.09 0.51 0.28 -1.33 0.00 0.00 177.39 177.51 3h1j h SER 114 N 0.53 -1.95 -0.53 -1.43 0.02 -1.89 -1.56 113.55 106.74 3h1j h SER 114 Ca 0.00 0.31 -0.28 0.00 -0.84 0.00 0.00 61.79 60.99 3h1j h SER 114 Cb 0.38 0.88 -0.16 0.00 0.14 0.00 0.00 62.40 63.64 3h1j h SER 114 CO 0.00 -0.26 0.11 -1.22 -1.14 0.00 0.00 176.83 174.32 3h1j n TYR 115 N -5.32 1.63 -0.01 3.45 4.02 -1.26 -2.77 117.16 116.90 3h1j n TYR 115 Ca 0.03 -1.69 -0.10 0.00 -0.01 0.00 0.00 57.90 56.13 3h1j n TYR 115 Cb 0.30 -0.62 -0.04 0.00 -0.02 0.00 0.00 39.34 38.96 3h1j n TYR 115 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 176.86 176.82 3h1j h ILE 116 N 1.00 0.96 -0.02 -0.72 6.09 -1.49 -1.71 117.51 121.62 3h1j h ILE 116 Ca 0.34 -0.03 0.01 0.00 -1.37 0.00 0.00 64.86 63.80 3h1j h ILE 116 Cb 1.99 0.86 -0.00 0.00 0.47 0.00 0.00 36.82 40.14 3h1j h ILE 116 CO 0.59 0.02 0.02 -0.37 -3.07 0.00 0.00 178.15 175.33 3h1j h VAL 117 N 0.10 0.88 -0.00 2.19 -1.51 -1.83 -0.68 116.25 115.39 3h1j h VAL 117 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 3h1j h VAL 117 Cb 0.04 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.18 3h1j h VAL 117 CO -0.06 0.00 -0.42 0.59 -1.23 0.00 0.00 177.57 176.45 3h1j n ASN 118 N -4.37 0.69 -0.81 4.19 3.02 -1.01 -3.51 115.26 113.47 3h1j n ASN 118 Ca -0.02 -0.49 0.12 0.00 -0.03 0.00 0.00 54.58 54.16 3h1j n ASN 118 Cb 0.11 0.22 0.29 0.00 -0.61 0.00 0.00 39.78 39.79 3h1j n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1j n ALA 119 N -1.20 2.49 -3.43 5.41 0.00 -0.28 -4.87 120.51 118.64 3h1j n ALA 119 Ca 0.08 -0.68 -0.15 0.00 0.00 0.00 0.00 53.44 52.69 3h1j n ALA 119 Cb 0.34 -0.97 -0.15 0.00 0.00 0.00 0.00 19.45 18.66 3h1j n ALA 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1j s ARG 120 N -1.81 0.11 0.16 0.00 1.81 -1.12 -5.06 118.95 113.03 3h1j s ARG 120 Ca 0.34 0.07 -0.32 0.00 -1.72 0.00 0.00 55.73 54.11 3h1j s ARG 120 Cb 0.20 -0.26 -0.10 0.00 -0.45 0.00 0.00 34.95 34.34 3h1j s ARG 120 CO 0.30 -0.09 1.61 -1.01 -0.68 0.00 0.00 175.30 175.43 3h1j s HIS 121 N 0.67 2.94 0.00 -0.53 3.76 -1.26 -1.64 115.29 119.22 3h1j s HIS 121 Ca -0.06 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.38 3h1j s HIS 121 Cb -0.09 -3.97 0.00 0.00 1.11 0.00 0.00 32.58 29.63 3h1j s HIS 121 CO -0.02 -3.65 0.00 0.41 -0.85 0.00 0.00 174.74 170.64 3h1j n GLY 122 N 3.83 2.20 7.00 -2.22 0.00 -1.26 -4.69 105.19 110.04 3h1j n GLY 122 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3h1j n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1j n GLY 123 N -0.41 2.81 0.26 -0.02 0.00 -0.65 -1.00 105.19 106.19 3h1j n GLY 123 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.92 3h1j n GLY 123 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3h1j h GLU 124 N 0.00 0.10 -0.90 1.61 9.09 -1.91 0.25 114.58 122.83 3h1j h GLU 124 Ca 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 59.39 3h1j h GLU 124 Cb 0.00 -0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.04 3h1j h GLU 124 CO 0.00 0.12 0.52 -0.44 0.05 0.00 0.00 179.01 179.26 3h1j h ASP 125 N 0.11 1.10 0.04 3.06 3.45 -1.38 0.30 116.42 123.09 3h1j h ASP 125 Ca 0.03 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.41 3h1j h ASP 125 Cb 0.09 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.58 3h1j h ASP 125 CO 0.00 0.86 -0.02 0.22 -1.57 0.00 0.00 179.24 178.73 3h1j h TYR 126 N 1.25 -0.06 -0.85 4.55 3.20 -0.51 -2.29 116.97 122.26 3h1j h TYR 126 Ca 0.32 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.28 3h1j h TYR 126 Cb -0.02 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 3h1j h TYR 126 CO 0.01 0.57 0.51 0.28 -1.64 0.00 0.00 178.16 177.89 3h1j h VAL 127 N -0.78 0.95 0.20 1.81 2.07 -0.49 -0.63 116.25 119.37 3h1j h VAL 127 Ca -0.01 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3h1j h VAL 127 Cb 0.66 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3h1j h VAL 127 CO 0.01 0.16 -0.10 0.15 0.02 0.00 0.00 177.57 177.81 3h1j h PHE 128 N 0.86 -0.25 -0.72 1.57 3.57 -0.47 -1.27 116.94 120.23 3h1j h PHE 128 Ca 0.40 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 62.01 3h1j h PHE 128 Cb 0.33 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 3h1j h PHE 128 CO -0.05 -0.02 0.48 0.77 -2.23 0.00 0.00 178.31 177.26 3h1j h SER 129 N -0.45 0.49 0.06 0.41 0.02 -1.02 -2.20 113.55 110.86 3h1j h SER 129 Ca -0.03 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3h1j h SER 129 Cb 0.35 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3h1j h SER 129 CO 0.05 0.28 -0.03 0.25 -1.14 0.00 0.00 176.83 176.24 3h1j h LEU 130 N 0.54 -0.07 -1.08 5.07 5.85 -0.86 0.55 115.31 125.31 3h1j h LEU 130 Ca 0.34 -0.50 0.14 0.00 0.84 0.00 0.00 57.88 58.70 3h1j h LEU 130 Cb 0.60 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.56 3h1j h LEU 130 CO -0.12 0.50 0.62 -0.07 -0.34 0.00 0.00 178.44 179.03 3h1j h LEU 131 N -0.67 0.83 0.00 2.25 3.38 -0.88 -2.63 115.31 117.58 3h1j h LEU 131 Ca -0.01 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3h1j h LEU 131 Cb 0.57 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3h1j h LEU 131 CO 0.01 0.41 -1.76 0.35 0.09 0.00 0.00 178.44 177.54 3h1j n THR 132 N -4.64 0.48 1.13 0.22 -2.24 -0.86 -4.48 114.28 103.89 3h1j n THR 132 Ca 0.20 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3h1j n THR 132 Cb 0.43 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3h1j n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h1j n GLY 133 N 1.33 0.02 3.77 3.38 0.00 0.19 -4.89 105.19 108.99 3h1j n GLY 133 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3h1j n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1j s TYR 134 N -1.59 2.78 0.07 1.61 1.51 -1.25 -4.25 117.35 116.23 3h1j s TYR 134 Ca 0.00 1.44 -0.27 0.00 -1.01 0.00 0.00 57.07 57.23 3h1j s TYR 134 Cb 0.00 -3.62 0.09 0.00 -0.11 0.00 0.00 41.96 38.33 3h1j s TYR 134 CO 0.00 -2.04 1.16 0.00 -1.11 0.00 0.00 175.55 173.57 3h1j s ASP 136 N -3.26 6.91 0.50 0.00 1.01 -1.26 -4.38 116.67 116.20 3h1j s ASP 136 Ca 0.19 2.09 -0.23 0.00 0.71 0.00 0.00 52.55 55.31 3h1j s ASP 136 Cb 0.01 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 3h1j s ASP 136 CO 0.00 -0.39 1.34 -2.16 0.21 0.00 0.00 175.17 174.17 3h1j s PRO 137 N -2.21 3.40 0.87 8.23 0.04 -1.26 -5.00 135.00 139.07 3h1j s PRO 137 Ca 0.54 2.19 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 3h1j s PRO 137 Cb -0.24 -2.39 0.11 0.00 0.04 0.00 0.00 34.50 32.01 3h1j s PRO 137 CO 0.31 -0.97 1.12 -1.25 0.04 0.00 0.00 177.00 176.25 3h1j s PRO 138 N -2.74 1.50 0.14 0.56 0.04 -1.26 -4.89 135.00 128.35 3h1j s PRO 138 Ca 0.67 0.47 -0.35 0.00 0.04 0.00 0.00 61.00 61.84 3h1j s PRO 138 Cb -0.39 -1.86 -0.15 0.00 0.04 0.00 0.00 34.50 32.14 3h1j s PRO 138 CO 0.47 -1.99 1.50 0.00 0.04 0.00 0.00 177.00 177.03 3h1j n ALA 139 N -3.66 0.69 -0.04 8.56 0.00 -1.26 -1.82 120.51 122.98 3h1j n ALA 139 Ca 0.07 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3h1j n ALA 139 Cb 0.58 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3h1j n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1j n GLY 140 N 3.12 0.80 3.44 0.00 0.00 -1.26 -5.04 105.19 106.25 3h1j n GLY 140 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3h1j n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1j s VAL 141 N -2.32 4.51 -0.26 1.61 1.01 -0.76 -5.08 120.40 119.12 3h1j s VAL 141 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3h1j s VAL 141 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 3h1j s VAL 141 CO 0.00 0.16 0.05 0.68 0.00 0.00 0.00 175.10 176.00 3h1j s VAL 142 N 1.61 4.08 -0.40 2.92 -7.23 -1.26 -4.69 120.40 115.43 3h1j s VAL 142 Ca 0.05 -0.34 -0.24 0.00 -1.81 0.00 0.00 61.98 59.63 3h1j s VAL 142 Cb -0.16 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.85 3h1j s VAL 142 CO 0.05 0.29 0.85 -0.69 -0.31 0.00 0.00 175.10 175.30 3h1j s VAL 143 N 1.57 4.63 0.28 1.32 1.01 -1.26 -5.00 120.40 122.94 3h1j s VAL 143 Ca 0.05 0.85 -0.27 0.00 0.00 0.00 0.00 61.98 62.62 3h1j s VAL 143 Cb -0.15 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.77 3h1j s VAL 143 CO 0.02 -0.59 0.63 -1.14 0.00 0.00 0.00 175.10 174.02 3h1j n ARG 144 N 6.72 0.48 -1.68 2.72 0.63 -1.26 -4.76 116.66 119.50 3h1j n ARG 144 Ca 0.05 0.17 -0.49 0.00 -0.92 0.00 0.00 57.85 56.66 3h1j n ARG 144 Cb 0.48 -1.32 -0.05 0.00 0.45 0.00 0.00 32.46 32.02 3h1j n ARG 144 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3h1j n GLU 145 N 0.88 2.14 0.00 -0.14 2.13 -1.26 -1.43 120.64 122.96 3h1j n GLU 145 Ca 0.14 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.75 3h1j n GLU 145 Cb 0.30 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.39 3h1j n GLU 145 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h1j n GLY 146 N 4.37 2.23 3.86 8.31 0.00 -1.26 -5.07 105.19 117.63 3h1j n GLY 146 Ca 0.23 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 3h1j n GLY 146 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1j s LEU 147 N 0.00 4.15 0.19 0.99 1.43 -0.52 -4.85 118.68 120.08 3h1j s LEU 147 Ca 0.00 1.05 0.08 0.00 -1.03 0.00 0.00 54.13 54.23 3h1j s LEU 147 Cb 0.00 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 3h1j s LEU 147 CO 0.00 -0.10 -0.04 -1.00 0.23 0.00 0.00 176.35 175.44 3h1j s HIS 148 N -1.84 2.74 0.21 0.29 3.76 0.39 -4.71 115.29 116.12 3h1j s HIS 148 Ca 0.49 -0.19 -0.27 0.00 -0.15 0.00 0.00 55.06 54.94 3h1j s HIS 148 Cb -0.11 -1.31 -0.09 0.00 1.11 0.00 0.00 32.58 32.19 3h1j s HIS 148 CO 0.20 0.54 0.85 -0.47 -0.85 0.00 0.00 174.74 175.01 3h1j s TYR 149 N -1.84 3.92 -0.30 1.40 5.04 -1.26 -1.43 117.35 122.88 3h1j s TYR 149 Ca 0.27 1.75 -0.02 0.00 -2.44 0.00 0.00 57.07 56.64 3h1j s TYR 149 Cb -0.09 -2.86 0.19 0.00 0.35 0.00 0.00 41.96 39.55 3h1j s TYR 149 CO 0.18 0.47 0.62 1.21 -1.34 0.00 0.00 175.55 176.68 3h1j s ASN 150 N -1.21 -1.34 0.52 4.32 3.84 0.49 -3.44 114.94 118.11 3h1j s ASN 150 Ca 0.39 0.90 0.26 0.00 0.21 0.00 0.00 52.86 54.62 3h1j s ASN 150 Cb -0.24 2.15 1.46 0.00 -0.55 0.00 0.00 41.25 44.07 3h1j s ASN 150 CO 0.28 -0.25 2.09 1.55 -2.79 0.00 0.00 177.10 177.98 3h1j h PRO 151 N 8.00 0.00 0.00 0.43 0.13 -1.78 -2.98 132.00 135.80 3h1j h PRO 151 Ca -0.22 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.82 3h1j h PRO 151 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3h1j h PRO 151 CO 0.24 0.11 -0.43 1.88 -0.23 0.00 0.00 178.00 179.57 3h1j h TYR 152 N 0.00 0.00 -3.43 1.56 0.05 -1.85 -3.36 116.97 109.93 3h1j h TYR 152 Ca -0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.24 3h1j h TYR 152 Cb 0.28 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3h1j h TYR 152 CO 0.00 0.43 0.37 0.12 -1.05 0.00 0.00 178.16 178.03 3h1j s PHE 153 N -3.04 3.68 -0.21 4.88 5.36 -1.12 -4.82 117.98 122.70 3h1j s PHE 153 Ca 0.04 1.71 -0.33 0.00 -0.96 0.00 0.00 56.93 57.39 3h1j s PHE 153 Cb 0.07 -3.12 -0.10 0.00 -0.34 0.00 0.00 43.02 39.54 3h1j s PHE 153 CO 0.73 -0.01 2.07 -0.35 -1.46 0.00 0.00 175.22 176.20 3h1j n PRO 154 N 3.70 1.75 0.00 10.12 -0.04 -1.26 0.11 135.00 149.37 3h1j n PRO 154 Ca 0.05 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3h1j n PRO 154 Cb 0.51 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 3h1j n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h1j n GLY 155 N 5.45 2.36 4.35 0.55 0.00 -1.26 -4.67 105.19 111.98 3h1j n GLY 155 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3h1j n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h1j n GLN 156 N -1.22 0.00 -3.74 1.61 3.00 0.30 -4.91 117.38 112.42 3h1j n GLN 156 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 3h1j n GLN 156 Cb 0.00 -3.31 -0.10 0.00 0.00 0.00 0.00 30.24 26.83 3h1j n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h1j s ALA 157 N -1.62 3.41 0.46 -1.58 0.00 -1.26 -0.38 121.76 120.79 3h1j s ALA 157 Ca 0.00 -2.97 -0.02 0.00 0.00 0.00 0.00 51.96 48.97 3h1j s ALA 157 Cb 0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 3h1j s ALA 157 CO 0.00 -1.98 0.72 -1.50 0.00 0.00 0.00 175.76 173.00 3h1j s ILE 158 N 0.42 4.48 -2.05 0.00 2.07 -0.52 -4.79 121.20 120.82 3h1j s ILE 158 Ca 0.13 -0.18 0.24 0.00 -1.41 0.00 0.00 60.65 59.43 3h1j s ILE 158 Cb -0.21 -3.68 0.14 0.00 0.13 0.00 0.00 42.46 38.83 3h1j s ILE 158 CO -0.04 -0.57 1.31 0.61 -1.91 0.00 0.00 174.94 174.34 3h1j n GLY 159 N -2.16 -0.10 3.71 1.50 0.00 -1.26 -0.46 105.19 106.41 3h1j n GLY 159 Ca 0.00 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 3h1j n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h1j s MET 160 N -2.42 4.18 0.50 1.61 0.00 -1.26 -4.85 119.30 117.06 3h1j s MET 160 Ca 0.22 -0.11 -0.18 0.00 0.00 0.00 0.00 55.69 55.62 3h1j s MET 160 Cb 0.19 -3.46 -0.08 0.00 0.00 0.00 0.00 34.83 31.48 3h1j s MET 160 CO 0.52 0.21 0.99 0.00 0.00 0.00 0.00 175.02 176.73 3h1j s ALA 161 N 0.61 3.01 -0.55 4.11 0.00 -1.26 -4.76 121.76 122.92 3h1j s ALA 161 Ca 0.11 0.29 -0.34 0.00 0.00 0.00 0.00 51.96 52.01 3h1j s ALA 161 Cb -0.12 -3.15 -0.15 0.00 0.00 0.00 0.00 23.12 19.70 3h1j s ALA 161 CO 0.02 -0.20 2.34 -2.30 0.00 0.00 0.00 175.76 175.61 3h1j n PRO 162 N -1.33 0.61 0.18 0.00 -0.02 -1.26 -4.79 135.00 128.39 3h1j n PRO 162 Ca 0.07 0.12 0.03 0.00 -2.02 0.00 0.00 63.50 61.70 3h1j n PRO 162 Cb 0.54 -2.20 0.38 0.00 -0.02 0.00 0.00 33.50 32.20 3h1j n PRO 162 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h1j h PRO 163 N 12.78 0.06 -6.01 0.52 0.13 -1.89 -3.45 132.00 134.14 3h1j h PRO 163 Ca -0.18 -0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.40 3h1j h PRO 163 Cb 1.33 -0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.25 3h1j h PRO 163 CO 1.14 0.35 -0.80 0.96 -0.23 0.00 0.00 178.00 179.42 3h1j s ILE 164 N -4.36 1.71 0.12 -3.56 -4.36 -1.26 -5.02 121.20 104.47 3h1j s ILE 164 Ca -0.04 -1.68 -0.16 0.00 -0.26 0.00 0.00 60.65 58.51 3h1j s ILE 164 Cb 0.15 -1.64 0.04 0.00 1.25 0.00 0.00 42.46 42.25 3h1j s ILE 164 CO 0.72 -0.18 0.40 -0.72 0.24 0.00 0.00 174.94 175.41 3h1j s TYR 165 N -1.54 -0.21 0.15 1.37 1.13 -1.26 -4.98 117.35 112.01 3h1j s TYR 165 Ca 0.10 -0.10 -0.33 0.00 -1.41 0.00 0.00 57.07 55.33 3h1j s TYR 165 Cb -0.08 0.26 -0.17 0.00 -1.10 0.00 0.00 41.96 40.87 3h1j s TYR 165 CO 0.05 -0.70 0.93 0.09 -2.51 0.00 0.00 175.55 173.42 3h1j n ASN 166 N -0.20 0.22 -2.98 -0.18 3.02 -1.26 -1.99 115.26 111.90 3h1j n ASN 166 Ca -0.16 1.15 -0.20 0.00 -0.03 0.00 0.00 54.58 55.33 3h1j n ASN 166 Cb 0.64 -1.07 0.01 0.00 -0.61 0.00 0.00 39.78 38.74 3h1j n ASN 166 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3h1j n GLU 167 N 1.39 -3.45 0.00 3.52 1.02 0.63 -4.81 120.64 118.93 3h1j n GLU 167 Ca 0.17 0.67 0.09 0.00 -0.02 0.00 0.00 57.16 58.06 3h1j n GLU 167 Cb 0.21 -5.40 0.39 0.00 -0.02 0.00 0.00 31.44 26.62 3h1j n GLU 167 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3h1j n ILE 168 N -3.98 0.75 -3.83 -3.67 3.06 -0.84 -4.80 119.36 106.05 3h1j n ILE 168 Ca -0.09 0.19 -0.09 0.00 -2.50 0.00 0.00 62.75 60.26 3h1j n ILE 168 Cb 0.59 -0.88 0.01 0.00 0.54 0.00 0.00 39.64 39.91 3h1j n ILE 168 CO 0.00 0.00 0.00 -1.48 -2.50 0.00 0.00 176.55 172.57 3h1j s LEU 169 N -2.99 0.02 -0.27 9.51 2.34 -1.26 -5.06 118.68 120.97 3h1j s LEU 169 Ca 0.09 -1.08 0.00 0.00 0.06 0.00 0.00 54.13 53.20 3h1j s LEU 169 Cb 0.12 2.74 0.08 0.00 -0.56 0.00 0.00 46.19 48.57 3h1j s LEU 169 CO 0.33 -1.61 0.03 -1.61 -1.06 0.00 0.00 176.35 172.42 3h1j s GLU 170 N -2.61 1.13 -0.08 1.48 2.02 -1.26 -4.80 118.70 114.57 3h1j s GLU 170 Ca 0.16 -1.04 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 3h1j s GLU 170 Cb -0.05 -2.39 -0.07 0.00 0.10 0.00 0.00 34.13 31.72 3h1j s GLU 170 CO 0.11 -0.78 2.03 0.71 0.02 0.00 0.00 175.26 177.35 3h1j s TYR 171 N 1.48 1.31 -2.00 1.61 4.12 -1.26 -4.80 117.35 117.81 3h1j s TYR 171 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.07 57.12 3h1j s TYR 171 Cb -0.18 -4.10 0.01 0.00 -1.52 0.00 0.00 41.96 36.17 3h1j s TYR 171 CO -0.13 -4.78 0.37 -0.40 0.02 0.00 0.00 175.55 170.62 3h1j n ASP 172 N 9.20 0.00 -0.65 2.29 5.68 -1.26 -0.72 116.55 131.09 3h1j n ASP 172 Ca 0.24 -0.71 0.08 0.00 -0.50 0.00 0.00 54.79 53.90 3h1j n ASP 172 Cb 0.43 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.48 3h1j n ASP 172 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3h1j n ASP 173 N -0.51 2.35 0.00 -1.12 5.75 -1.26 -4.97 116.55 116.79 3h1j n ASP 173 Ca 0.00 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 3h1j n ASP 173 Cb 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3h1j n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1j n GLY 174 N 0.94 0.57 3.72 6.12 0.00 0.10 -5.04 105.19 111.60 3h1j n GLY 174 Ca 0.10 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3h1j n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1j s THR 175 N -2.00 4.55 -0.24 2.61 2.01 -1.26 -4.94 115.64 116.37 3h1j s THR 175 Ca 0.00 1.97 -0.29 0.00 0.31 0.00 0.00 61.69 63.68 3h1j s THR 175 Cb 0.00 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 3h1j s THR 175 CO 0.00 0.23 2.22 -2.65 -0.69 0.00 0.00 174.62 173.74 3h1j n PRO 176 N 3.30 1.82 -0.36 4.92 -0.02 -1.26 -4.43 135.00 138.97 3h1j n PRO 176 Ca 0.04 0.49 -0.06 0.00 -2.02 0.00 0.00 63.50 61.96 3h1j n PRO 176 Cb 0.49 -3.13 -0.05 0.00 -0.02 0.00 0.00 33.50 30.80 3h1j n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h1j n ALA 177 N 11.50 2.89 -1.79 3.55 0.00 -1.26 -4.84 120.51 130.57 3h1j n ALA 177 Ca 0.32 -0.72 -0.35 0.00 0.00 0.00 0.00 53.44 52.68 3h1j n ALA 177 Cb 0.42 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 3h1j n ALA 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3h1j s THR 178 N 2.64 3.63 0.22 0.00 -4.23 -1.26 -0.27 115.64 116.37 3h1j s THR 178 Ca 0.23 1.13 -0.09 0.00 -1.18 0.00 0.00 61.69 61.78 3h1j s THR 178 Cb 0.10 -3.53 0.20 0.00 1.34 0.00 0.00 72.50 70.61 3h1j s THR 178 CO -0.00 -0.11 1.68 -0.03 -0.54 0.00 0.00 174.62 175.62 3h1j h MET 179 N 1.97 0.19 -0.39 3.99 1.85 -1.91 -0.71 114.93 119.91 3h1j h MET 179 Ca -0.49 -0.01 -0.12 0.00 -0.61 0.00 0.00 59.70 58.47 3h1j h MET 179 Cb 1.22 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.20 3h1j h MET 179 CO 0.60 0.12 -0.21 0.66 -0.40 0.00 0.00 176.91 177.69 3h1j h SER 180 N 0.19 0.87 -0.70 1.39 4.64 -1.97 -1.06 113.55 116.92 3h1j h SER 180 Ca 0.35 -0.41 0.13 0.00 -0.47 0.00 0.00 61.79 61.39 3h1j h SER 180 Cb 0.56 -0.24 -0.09 0.00 -0.31 0.00 0.00 62.40 62.32 3h1j h SER 180 CO -0.49 1.09 0.22 -0.61 -0.87 0.00 0.00 176.83 176.17 3h1j h GLN 181 N 0.64 0.35 0.44 4.77 5.75 -1.62 0.16 115.11 125.61 3h1j h GLN 181 Ca 0.08 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 3h1j h GLN 181 Cb 0.77 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.25 3h1j h GLN 181 CO 0.06 0.23 -0.21 0.82 -2.65 0.00 0.00 178.83 177.08 3h1j h ILE 182 N 0.36 0.57 -0.62 2.39 2.04 -0.81 -1.59 117.51 119.85 3h1j h ILE 182 Ca 0.38 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 66.35 3h1j h ILE 182 Cb 0.58 0.58 -0.10 0.00 -0.74 0.00 0.00 36.82 37.14 3h1j h ILE 182 CO -0.42 0.00 0.08 0.00 0.00 0.00 0.00 178.15 177.82 3h1j h ALA 183 N -0.03 0.70 -0.99 1.87 0.00 -0.19 0.43 119.26 121.04 3h1j h ALA 183 Ca -0.06 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3h1j h ALA 183 Cb 0.46 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3h1j h ALA 183 CO 0.10 -0.35 0.65 -0.22 0.00 0.00 0.00 179.25 179.42 3h1j h LYS 184 N 0.20 1.20 -0.04 0.00 3.11 -0.46 -0.09 116.57 120.49 3h1j h LYS 184 Ca 0.33 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 58.06 3h1j h LYS 184 Cb 0.53 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 3h1j h LYS 184 CO -0.47 0.79 -0.13 -0.44 -2.81 0.00 0.00 179.45 176.39 3h1j h ASP 185 N 1.23 0.18 -0.38 4.20 3.32 -0.09 -2.33 116.42 122.55 3h1j h ASP 185 Ca 0.40 -0.63 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 3h1j h ASP 185 Cb 0.04 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3h1j h ASP 185 CO -0.14 0.78 0.14 1.62 -1.72 0.00 0.00 179.24 179.92 3h1j h VAL 186 N -0.41 1.18 -0.27 -1.35 3.04 -0.82 0.61 116.25 118.24 3h1j h VAL 186 Ca -0.01 -0.62 -0.04 0.00 -1.01 0.00 0.00 66.70 65.02 3h1j h VAL 186 Cb 0.76 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 30.73 3h1j h VAL 186 CO 0.03 0.23 -0.00 0.00 -1.01 0.00 0.00 177.57 176.82 3h1j h THR 188 N 0.26 0.96 -0.08 0.00 2.02 -0.78 -1.09 112.91 114.20 3h1j h THR 188 Ca 0.08 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 3h1j h THR 188 Cb 0.43 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3h1j h THR 188 CO 0.01 0.11 -0.06 0.15 0.37 0.00 0.00 175.52 176.10 3h1j h PHE 189 N 0.60 0.23 0.00 3.16 3.57 -0.24 -2.96 116.94 121.29 3h1j h PHE 189 Ca 0.30 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3h1j h PHE 189 Cb 0.40 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3h1j h PHE 189 CO -0.00 0.60 0.08 -0.07 -2.23 0.00 0.00 178.31 176.69 3h1j h LEU 190 N -0.21 0.00 0.00 0.59 3.38 0.71 0.49 115.31 120.27 3h1j h LEU 190 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h1j h LEU 190 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3h1j h LEU 190 CO 0.02 0.00 -0.00 -0.09 0.09 0.00 0.00 178.44 178.46 3h1j h ARG 191 N 0.00 -0.00 -0.57 1.13 9.65 -1.27 -2.74 114.38 120.57 3h1j h ARG 191 Ca 0.00 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.95 3h1j h ARG 191 Cb 0.16 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.68 3h1j h ARG 191 CO 0.00 0.75 0.25 2.35 2.80 0.00 0.00 179.97 186.12 3h1j h TRP 192 N -1.00 0.44 -0.79 2.20 7.01 -1.13 -1.48 115.95 121.20 3h1j h TRP 192 Ca -0.00 0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.11 3h1j h TRP 192 Cb 0.75 -0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 27.63 3h1j h TRP 192 CO 0.21 0.16 0.45 0.00 -2.79 0.00 0.00 178.44 176.47 3h1j h ALA 193 N 1.36 1.11 0.00 2.65 0.00 -1.04 -1.11 119.26 122.23 3h1j h ALA 193 Ca 0.28 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3h1j h ALA 193 Cb 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h1j h ALA 193 CO -0.24 0.09 -0.08 0.00 0.00 0.00 0.00 179.25 179.01 3h1j h ALA 194 N 1.43 0.99 -0.70 0.00 0.00 -0.99 -3.41 119.26 116.59 3h1j h ALA 194 Ca 0.37 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 3h1j h ALA 194 Cb 0.32 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.94 3h1j h ALA 194 CO -0.23 0.10 -0.42 -0.85 0.00 0.00 0.00 179.25 177.84 3h1j n GLU 195 N -3.18 0.50 -0.33 0.00 0.28 -0.54 -4.93 120.64 112.45 3h1j n GLU 195 Ca 0.01 -1.77 0.09 0.00 -0.16 0.00 0.00 57.16 55.33 3h1j n GLU 195 Cb 0.40 -1.20 0.26 0.00 1.43 0.00 0.00 31.44 32.33 3h1j n GLU 195 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3h1j h PRO 196 N 4.68 0.73 0.00 3.44 0.11 -1.49 0.43 132.00 139.90 3h1j h PRO 196 Ca 0.01 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3h1j h PRO 196 Cb 1.11 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3h1j h PRO 196 CO 0.04 0.48 0.34 1.05 -0.21 0.00 0.00 178.00 179.69 3h1j h GLU 197 N 0.75 0.00 -0.29 1.05 9.09 -1.95 -3.26 114.58 119.98 3h1j h GLU 197 Ca 0.51 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.96 3h1j h GLU 197 Cb 0.71 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.77 3h1j h GLU 197 CO -0.35 0.00 -0.15 1.58 0.05 0.00 0.00 179.01 180.14 3h1j n HIS 198 N -2.76 -0.08 0.03 2.06 -0.00 0.15 0.03 115.22 114.65 3h1j n HIS 198 Ca -0.02 0.36 -0.13 0.00 0.46 0.00 0.00 57.72 58.39 3h1j n HIS 198 Cb 0.38 -0.55 -0.09 0.00 -0.12 0.00 0.00 29.99 29.61 3h1j n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3h1j h ASP 199 N 0.00 -0.05 -0.72 0.26 5.19 -1.82 -2.77 116.42 116.51 3h1j h ASP 199 Ca 0.06 -0.30 -0.05 0.00 -0.62 0.00 0.00 57.03 56.12 3h1j h ASP 199 Cb 0.14 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 3h1j h ASP 199 CO -0.28 0.27 0.26 -0.61 -3.12 0.00 0.00 179.24 175.77 3h1j h GLN 200 N -0.38 1.11 -0.76 3.56 4.15 -1.02 -0.93 115.11 120.83 3h1j h GLN 200 Ca -0.01 -0.21 0.14 0.00 0.77 0.00 0.00 58.65 59.34 3h1j h GLN 200 Cb 0.35 -0.17 -0.09 0.00 0.21 0.00 0.00 27.48 27.77 3h1j h GLN 200 CO 0.01 0.92 0.32 -0.09 -1.93 0.00 0.00 178.83 178.06 3h1j h ARG 201 N 1.07 0.45 -0.03 1.69 2.43 -0.39 0.12 114.38 119.72 3h1j h ARG 201 Ca 0.24 -0.03 -0.25 0.00 -0.81 0.00 0.00 59.98 59.13 3h1j h ARG 201 Cb 0.25 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 29.72 3h1j h ARG 201 CO -0.01 0.30 -0.98 0.87 -1.51 0.00 0.00 179.97 178.63 3h1j h LYS 202 N 0.47 0.68 -0.59 0.20 1.57 -1.13 -2.13 116.57 115.62 3h1j h LYS 202 Ca 0.42 -0.69 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3h1j h LYS 202 Cb 0.63 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 3h1j h LYS 202 CO -0.40 1.28 0.30 -0.09 -0.57 0.00 0.00 179.45 179.98 3h1j h ARG 203 N 0.40 0.83 -0.27 3.15 2.43 -0.31 -1.08 114.38 119.52 3h1j h ARG 203 Ca -0.11 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3h1j h ARG 203 Cb 1.63 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 31.00 3h1j h ARG 203 CO 0.19 0.63 0.02 0.52 -1.51 0.00 0.00 179.97 179.82 3h1j h MET 204 N 0.83 0.47 -0.91 0.20 2.86 -0.77 -2.50 114.93 115.12 3h1j h MET 204 Ca 0.21 -0.14 0.20 0.00 -2.06 0.00 0.00 59.70 57.91 3h1j h MET 204 Cb 0.06 -0.05 -0.12 0.00 0.06 0.00 0.00 31.60 31.56 3h1j h MET 204 CO -0.03 0.61 0.45 0.78 1.06 0.00 0.00 176.91 179.78 3h1j h GLY 205 N 0.27 1.58 0.95 8.32 0.00 -0.53 0.46 103.07 114.11 3h1j h GLY 205 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3h1j h GLY 205 CO 0.01 -0.19 -0.12 -2.00 0.00 0.00 0.00 176.54 174.24 3h1j h LEU 206 N 0.52 -0.28 -0.54 3.11 5.85 -0.96 -0.50 115.31 122.50 3h1j h LEU 206 Ca 0.55 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.25 3h1j h LEU 206 Cb 0.97 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3h1j h LEU 206 CO -0.47 -0.16 0.35 0.11 -0.34 0.00 0.00 178.44 177.94 3h1j h LYS 207 N -0.39 0.70 -0.02 1.25 1.57 -0.74 -2.55 116.57 116.39 3h1j h LYS 207 Ca -0.03 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3h1j h LYS 207 Cb 0.30 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 3h1j h LYS 207 CO 0.06 0.46 -0.32 1.98 -0.57 0.00 0.00 179.45 181.05 3h1j h MET 208 N 0.72 -0.45 -0.45 3.15 4.05 0.12 -1.42 114.93 120.65 3h1j h MET 208 Ca 0.20 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.73 3h1j h MET 208 Cb -0.06 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 30.77 3h1j h MET 208 CO -0.05 -0.30 0.06 -0.07 0.23 0.00 0.00 176.91 176.77 3h1j h LEU 209 N -0.46 -0.07 0.56 3.39 3.38 -0.92 0.30 115.31 121.48 3h1j h LEU 209 Ca 0.06 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3h1j h LEU 209 Cb 0.56 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3h1j h LEU 209 CO -0.28 -0.00 -0.47 -0.07 0.09 0.00 0.00 178.44 177.71 3h1j h LEU 210 N 0.18 -1.26 -0.27 1.67 3.38 -1.03 -0.24 115.31 117.73 3h1j h LEU 210 Ca 0.22 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.34 3h1j h LEU 210 Cb 0.30 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 3h1j h LEU 210 CO -0.32 -0.66 -0.05 0.40 0.09 0.00 0.00 178.44 177.90 3h1j h ILE 211 N -1.01 0.74 -0.99 1.22 1.08 -1.06 -1.05 117.51 116.44 3h1j h ILE 211 Ca -0.07 -0.01 0.20 0.00 -0.39 0.00 0.00 64.86 64.60 3h1j h ILE 211 Cb 0.86 0.72 -0.10 0.00 -3.07 0.00 0.00 36.82 35.23 3h1j h ILE 211 CO -0.02 0.00 0.62 -1.28 -0.69 0.00 0.00 178.15 176.78 3h1j h SER 212 N 0.02 0.70 0.50 1.72 0.87 -0.15 0.52 113.55 117.71 3h1j h SER 212 Ca 0.13 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 3h1j h SER 212 Cb 0.20 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3h1j h SER 212 CO -0.27 0.24 -0.24 0.00 -0.53 0.00 0.00 176.83 176.03 3h1j h ALA 213 N 1.64 -0.73 -0.55 6.23 0.00 0.05 0.96 119.26 126.85 3h1j h ALA 213 Ca 0.57 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.44 3h1j h ALA 213 Cb 1.00 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 3h1j h ALA 213 CO -0.34 -0.68 -0.22 1.25 0.00 0.00 0.00 179.25 179.25 3h1j h LEU 214 N -1.06 -0.79 -0.30 0.00 5.85 -0.78 -0.92 115.31 117.32 3h1j h LEU 214 Ca -0.07 0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3h1j h LEU 214 Cb 0.51 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3h1j h LEU 214 CO 0.11 -0.25 0.01 0.25 -0.34 0.00 0.00 178.44 178.23 3h1j h LEU 215 N -0.09 0.50 -1.33 2.25 5.85 -0.01 -1.65 115.31 120.82 3h1j h LEU 215 Ca 0.25 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3h1j h LEU 215 Cb 0.49 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3h1j h LEU 215 CO -0.62 0.67 0.28 0.74 -0.34 0.00 0.00 178.44 179.18 3h1j h THR 216 N 0.31 1.17 0.71 1.05 2.02 -0.37 -0.78 112.91 117.02 3h1j h THR 216 Ca 0.09 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 3h1j h THR 216 Cb 0.41 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3h1j h THR 216 CO 0.01 0.19 -0.34 0.28 0.37 0.00 0.00 175.52 176.03 3h1j h SER 217 N 0.74 -0.81 -0.85 4.18 0.02 -1.00 -0.32 113.55 115.52 3h1j h SER 217 Ca 0.19 0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.36 3h1j h SER 217 Cb 0.04 0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 3h1j h SER 217 CO -0.03 -0.44 0.58 -0.07 -1.14 0.00 0.00 176.83 175.73 3h1j h LEU 218 N -1.21 0.24 0.00 5.07 3.38 -1.12 0.28 115.31 121.95 3h1j h LEU 218 Ca -0.10 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3h1j h LEU 218 Cb 0.75 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3h1j h LEU 218 CO 0.16 0.10 -0.31 -0.07 0.09 0.00 0.00 178.44 178.41 3h1j h LEU 219 N 0.24 0.00 -0.12 1.67 3.38 -0.99 -1.83 115.31 117.65 3h1j h LEU 219 Ca 0.43 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.19 3h1j h LEU 219 Cb 1.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.06 3h1j h LEU 219 CO -0.10 0.24 -0.73 0.22 0.09 0.00 0.00 178.44 178.15 3h1j h TYR 220 N 0.00 0.98 -0.11 1.13 5.03 0.13 -1.32 116.97 122.81 3h1j h TYR 220 Ca -0.01 -0.44 -0.00 0.00 2.58 0.00 0.00 58.73 60.86 3h1j h TYR 220 Cb 1.19 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 39.32 3h1j h TYR 220 CO 0.00 1.27 0.07 -0.92 -1.32 0.00 0.00 178.16 177.26 3h1j h TYR 221 N 0.41 0.15 -0.55 -3.82 3.20 -1.15 -1.72 116.97 113.49 3h1j h TYR 221 Ca -0.06 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.84 3h1j h TYR 221 Cb 1.37 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.56 3h1j h TYR 221 CO 0.10 0.12 0.32 0.52 -1.64 0.00 0.00 178.16 177.58 3h1j h MET 222 N 0.13 0.61 -0.53 1.82 2.86 -1.29 0.85 114.93 119.38 3h1j h MET 222 Ca 0.04 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3h1j h MET 222 Cb 0.01 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3h1j h MET 222 CO -0.01 0.40 0.31 -0.22 1.06 0.00 0.00 176.91 178.46 3h1j h LYS 223 N 0.63 0.73 0.28 1.72 3.11 -1.06 -2.87 116.57 119.11 3h1j h LYS 223 Ca 0.22 -0.07 -0.01 0.00 -2.81 0.00 0.00 60.65 57.98 3h1j h LYS 223 Cb 0.05 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.13 3h1j h LYS 223 CO -0.11 0.54 -0.14 0.00 -2.81 0.00 0.00 179.45 176.94 3h1j h ARG 224 N 0.72 -0.36 -0.28 1.90 2.47 -0.85 -2.13 114.38 115.84 3h1j h ARG 224 Ca 0.19 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.96 3h1j h ARG 224 Cb 0.01 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.37 3h1j h ARG 224 CO -0.03 -0.21 -0.19 1.25 0.56 0.00 0.00 179.97 181.35 3h1j h HIS 225 N -0.43 -0.61 -0.56 3.04 2.76 -0.68 0.22 115.15 118.89 3h1j h HIS 225 Ca -0.04 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 3h1j h HIS 225 Cb 0.33 0.30 -0.07 0.00 1.55 0.00 0.00 27.41 29.52 3h1j h HIS 225 CO -0.04 -0.13 0.16 0.87 -1.30 0.00 0.00 177.93 177.48 3h1j h LYS 226 N -0.03 0.30 0.00 5.26 1.79 -1.54 -2.28 116.57 120.06 3h1j h LYS 226 Ca 0.05 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3h1j h LYS 226 Cb 0.15 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3h1j h LYS 226 CO -0.28 0.20 -0.02 -1.49 -1.08 0.00 0.00 179.45 176.78 3h1j h TRP 227 N 0.31 0.00 -1.00 -1.35 4.06 -0.45 -3.13 115.95 114.40 3h1j h TRP 227 Ca 0.28 0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.43 3h1j h TRP 227 Cb 0.37 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 28.43 3h1j h TRP 227 CO -0.20 0.02 0.61 0.66 -3.56 0.00 0.00 178.44 175.97 3h1j h SER 228 N 0.00 0.74 -0.95 -3.49 4.64 -0.01 0.23 113.55 114.71 3h1j h SER 228 Ca -0.00 0.09 0.27 0.00 -0.47 0.00 0.00 61.79 61.68 3h1j h SER 228 Cb 0.36 -0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 62.27 3h1j h SER 228 CO 0.00 0.26 0.42 0.58 -0.87 0.00 0.00 176.83 177.22 3h1j h VAL 229 N 0.72 0.33 0.14 0.95 2.07 -1.71 -1.70 116.25 117.04 3h1j h VAL 229 Ca 0.57 -0.10 -0.34 0.00 0.82 0.00 0.00 66.70 67.65 3h1j h VAL 229 Cb 0.94 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3h1j h VAL 229 CO -0.35 0.05 -1.75 -0.07 0.02 0.00 0.00 177.57 175.47 3h1j h LEU 230 N 0.30 0.47 -0.23 2.57 3.38 -0.86 -3.22 115.31 117.71 3h1j h LEU 230 Ca 0.64 -0.77 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3h1j h LEU 230 Cb 1.37 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3h1j h LEU 230 CO -0.62 1.66 0.10 0.11 0.09 0.00 0.00 178.44 179.78 3h1j h LYS 231 N 0.08 0.22 -0.01 1.13 1.79 -0.24 -2.76 116.57 116.78 3h1j h LYS 231 Ca -0.33 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 3h1j h LYS 231 Cb 2.06 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.66 3h1j h LYS 231 CO 0.15 0.14 -0.20 -1.13 -1.08 0.00 0.00 179.45 177.33 3h1j n SER 232 N -5.01 0.84 -4.65 0.86 3.41 -0.79 -4.94 113.62 103.33 3h1j n SER 232 Ca -0.02 -0.78 -0.52 0.00 -0.26 0.00 0.00 58.87 57.29 3h1j n SER 232 Cb 0.07 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 3h1j n SER 232 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3h1j n ARG 233 N -0.74 1.53 -4.31 4.33 0.63 -1.04 -4.97 116.66 112.08 3h1j n ARG 233 Ca 0.13 0.55 -0.31 0.00 -0.92 0.00 0.00 57.85 57.30 3h1j n ARG 233 Cb 0.32 -2.27 -0.09 0.00 0.45 0.00 0.00 32.46 30.87 3h1j n ARG 233 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3h1j s LYS 234 N 1.98 2.53 0.16 -0.14 1.02 -1.26 -5.05 119.74 118.99 3h1j s LYS 234 Ca 0.88 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 56.09 3h1j s LYS 234 Cb -0.89 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 3h1j s LYS 234 CO 0.51 0.58 0.10 0.00 -0.92 0.00 0.00 175.35 175.62 3h1j s MET 235 N -1.78 1.06 -0.09 1.68 0.23 -1.26 -5.17 119.30 113.97 3h1j s MET 235 Ca 0.20 -1.50 -0.22 0.00 -1.03 0.00 0.00 55.69 53.14 3h1j s MET 235 Cb -0.11 0.26 0.05 0.00 -1.53 0.00 0.00 34.83 33.50 3h1j s MET 235 CO 0.12 -0.33 0.52 0.00 -2.03 0.00 0.00 175.02 173.30 3h1j s ALA 236 N -4.09 -1.34 -0.51 3.16 0.00 -1.26 -5.12 121.76 112.60 3h1j s ALA 236 Ca 0.30 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 53.19 3h1j s ALA 236 Cb 0.07 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 23.04 3h1j s ALA 236 CO 0.06 -0.30 0.46 -0.47 0.00 0.00 0.00 175.76 175.51 3h1j s TYR 237 N -0.77 3.25 -0.94 0.00 5.04 -1.26 -4.99 117.35 117.68 3h1j s TYR 237 Ca -0.08 -1.18 -0.02 0.00 -2.44 0.00 0.00 57.07 53.35 3h1j s TYR 237 Cb -0.03 -3.57 0.27 0.00 0.35 0.00 0.00 41.96 38.98 3h1j s TYR 237 CO 0.05 -0.94 1.09 0.54 -1.34 0.00 0.00 175.55 174.96 3h1j n ARG 238 N 5.22 3.46 -1.08 4.97 1.74 -1.26 -5.06 116.66 124.65 3h1j n ARG 238 Ca -0.13 -4.55 -0.33 0.00 -0.77 0.00 0.00 57.85 52.06 3h1j n ARG 238 Cb 0.41 -2.43 0.13 0.00 -1.02 0.00 0.00 32.46 29.55 3h1j n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3h1j s PRO 239 N -2.19 1.60 0.79 5.56 0.04 -1.26 -4.98 135.00 134.55 3h1j s PRO 239 Ca 0.32 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 3h1j s PRO 239 Cb 0.02 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.85 3h1j s PRO 239 CO -0.00 -2.23 1.14 -1.25 0.04 0.00 0.00 177.00 174.70 3h1j s PRO 240 N -4.23 2.17 0.00 0.56 0.04 -1.26 -5.33 135.00 126.96 3h1j s PRO 240 Ca 0.72 0.29 0.00 0.00 0.04 0.00 0.00 61.00 62.05 3h1j s PRO 240 Cb -0.27 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3h1j s PRO 240 CO 0.51 -1.48 0.00 1.17 0.04 0.00 0.00 177.00 177.24