#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qni n HIS 23 N 0.00 0.00 -4.41 1.61 8.25 -1.26 -4.63 115.22 114.77 2qni n HIS 23 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2qni n HIS 23 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 2qni n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qni s ALA 24 N 0.00 2.45 0.05 -1.41 0.00 0.60 -4.49 121.76 118.96 2qni s ALA 24 Ca 0.00 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.31 2qni s ALA 24 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2qni s ALA 24 CO 0.00 0.32 0.01 -0.51 0.00 0.00 0.00 175.76 175.58 2qni s LEU 25 N -2.95 3.53 -0.14 0.00 1.43 -1.02 -0.80 118.68 118.73 2qni s LEU 25 Ca 0.22 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2qni s LEU 25 Cb -0.06 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 44.01 2qni s LEU 25 CO 0.10 0.22 -0.21 -0.47 0.23 0.00 0.00 176.35 176.23 2qni s TYR 26 N -1.23 2.61 -0.08 0.29 5.04 -0.32 0.14 117.35 123.79 2qni s TYR 26 Ca 0.24 -1.35 0.02 0.00 -2.44 0.00 0.00 57.07 53.54 2qni s TYR 26 Cb -0.12 -1.79 0.01 0.00 0.35 0.00 0.00 41.96 40.42 2qni s TYR 26 CO 0.15 -0.63 -0.15 0.42 -1.34 0.00 0.00 175.55 174.00 2qni s ILE 27 N 0.92 1.40 0.24 3.14 1.01 0.65 -1.52 121.20 127.04 2qni s ILE 27 Ca -0.05 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 2qni s ILE 27 Cb -0.15 -1.26 -0.08 0.00 0.01 0.00 0.00 42.46 40.98 2qni s ILE 27 CO -0.04 0.42 0.64 0.42 0.00 0.00 0.00 174.94 176.38 2qni s THR 28 N 0.70 4.77 0.51 2.92 -4.23 0.10 -0.72 115.64 119.69 2qni s THR 28 Ca -0.13 0.85 -0.23 0.00 -1.18 0.00 0.00 61.69 61.00 2qni s THR 28 Cb -0.16 -3.69 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 2qni s THR 28 CO 0.03 0.02 1.39 0.00 -0.54 0.00 0.00 174.62 175.52 2qni n HIS 29 N 0.17 2.47 -0.53 3.99 1.44 -0.47 -1.89 115.22 120.42 2qni n HIS 29 Ca -0.00 0.43 0.00 0.00 -2.01 0.00 0.00 57.72 56.14 2qni n HIS 29 Cb 0.52 -2.40 0.00 0.00 0.12 0.00 0.00 29.99 28.23 2qni n HIS 29 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2qni n PRO 30 N -0.67 1.94 -1.82 -1.40 -0.04 -1.26 -1.49 135.00 130.26 2qni n PRO 30 Ca 0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.15 2qni n PRO 30 Cb 0.43 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.92 2qni n PRO 30 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2qni s GLN 31 N 0.95 3.47 -0.03 0.54 1.11 -1.15 -4.75 119.66 119.79 2qni s GLN 31 Ca 0.00 2.30 -0.00 0.00 0.01 0.00 0.00 55.36 57.67 2qni s GLN 31 Cb 0.00 -2.48 -0.04 0.00 -1.01 0.00 0.00 33.01 29.49 2qni s GLN 31 CO 0.00 -0.95 0.02 0.08 0.01 0.00 0.00 175.29 174.44 2qni s VAL 32 N -1.26 4.32 -0.35 1.09 1.01 -1.26 -0.88 120.40 123.07 2qni s VAL 32 Ca 0.65 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 2qni s VAL 32 Cb -0.41 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 2qni s VAL 32 CO 0.51 0.45 0.61 -0.75 0.00 0.00 0.00 175.10 175.92 2qni s LYS 33 N -1.35 3.69 0.73 2.72 2.20 0.32 -4.35 119.74 123.70 2qni s LYS 33 Ca 0.18 0.03 -0.11 0.00 -0.36 0.00 0.00 55.97 55.71 2qni s LYS 33 Cb -0.12 -3.80 0.03 0.00 -1.51 0.00 0.00 37.83 32.43 2qni s LYS 33 CO 0.08 -0.70 1.08 0.96 -0.36 0.00 0.00 175.35 176.41 2qni s ILE 34 N 2.63 3.63 -0.16 5.43 -4.36 -1.26 -4.28 121.20 122.83 2qni s ILE 34 Ca 0.23 0.53 -0.15 0.00 -0.26 0.00 0.00 60.65 61.00 2qni s ILE 34 Cb -0.15 -3.35 0.04 0.00 1.25 0.00 0.00 42.46 40.26 2qni s ILE 34 CO 0.14 -0.69 0.43 -0.62 0.24 0.00 0.00 174.94 174.44 2qni s ASP 35 N -3.98 -0.45 0.32 4.36 2.15 -1.26 -5.05 116.67 112.75 2qni s ASP 35 Ca 0.59 0.87 0.26 0.00 0.43 0.00 0.00 52.55 54.70 2qni s ASP 35 Cb -0.13 0.88 1.05 0.00 -0.30 0.00 0.00 42.92 44.41 2qni s ASP 35 CO 0.54 -0.15 1.77 1.55 -0.17 0.00 0.00 175.17 178.71 2qni h PRO 36 N 5.54 0.00 0.00 4.34 0.13 -2.02 -3.38 132.00 136.61 2qni h PRO 36 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2qni h PRO 36 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2qni h PRO 36 CO 0.24 0.00 -0.81 0.00 -0.23 0.00 0.00 178.00 177.19 2qni n ALA 37 N -1.85 1.98 -1.81 -0.56 0.00 -1.26 -5.03 120.51 111.99 2qni n ALA 37 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 2qni n ALA 37 Cb 0.26 0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 2qni n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qni s VAL 38 N -1.81 2.30 0.21 0.00 1.01 -1.26 -4.90 120.40 115.94 2qni s VAL 38 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2qni s VAL 38 Cb 0.00 -3.12 -0.16 0.00 0.00 0.00 0.00 36.38 33.10 2qni s VAL 38 CO 0.00 0.01 0.95 -2.65 0.00 0.00 0.00 175.10 173.41 2qni n PRO 39 N 4.13 0.89 -0.23 2.72 -0.02 -1.26 -4.79 135.00 136.43 2qni n PRO 39 Ca 0.15 0.31 0.01 0.00 -2.02 0.00 0.00 63.50 61.96 2qni n PRO 39 Cb 0.37 -1.65 0.13 0.00 -0.02 0.00 0.00 33.50 32.33 2qni n PRO 39 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2qni h VAL 40 N 2.05 0.83 0.00 -1.45 2.07 -1.93 -0.92 116.25 116.90 2qni h VAL 40 Ca -0.39 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2qni h VAL 40 Cb 1.37 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2qni h VAL 40 CO 0.63 0.10 0.00 -0.65 0.02 0.00 0.00 177.57 177.67 2qni h PRO 41 N 0.56 0.00 -0.05 1.57 0.11 -2.03 -2.46 132.00 129.69 2qni h PRO 41 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 2qni h PRO 41 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 2qni h PRO 41 CO -0.28 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 177.90 2qni n GLU 42 N -2.89 1.81 -2.05 1.05 1.02 -0.35 -3.78 120.64 115.46 2qni n GLU 42 Ca -0.02 -1.19 -0.41 0.00 -0.02 0.00 0.00 57.16 55.53 2qni n GLU 42 Cb 0.13 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 2qni n GLU 42 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2qni s TRP 43 N -1.96 2.93 0.00 -0.32 0.51 -0.93 -4.82 118.94 114.35 2qni s TRP 43 Ca 0.36 1.37 0.00 0.00 -2.12 0.00 0.00 56.10 55.70 2qni s TRP 43 Cb 0.20 -3.74 0.00 0.00 -0.81 0.00 0.00 33.47 29.12 2qni s TRP 43 CO 0.32 -2.10 0.00 0.41 -0.51 0.00 0.00 176.95 175.07 2qni n GLY 44 N 0.72 1.72 3.84 0.98 0.00 -1.26 -2.96 105.19 108.23 2qni n GLY 44 Ca 0.01 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 2qni n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qni s LEU 45 N 0.00 4.01 0.97 0.99 1.43 -1.26 -0.52 118.68 124.30 2qni s LEU 45 Ca 0.00 1.41 -0.13 0.00 -1.03 0.00 0.00 54.13 54.38 2qni s LEU 45 Cb 0.00 -4.23 0.17 0.00 0.03 0.00 0.00 46.19 42.16 2qni s LEU 45 CO 0.00 -0.26 1.13 -0.94 0.23 0.00 0.00 176.35 176.51 2qni s SER 46 N -2.27 2.94 0.20 2.29 1.04 -0.05 -4.20 113.70 113.65 2qni s SER 46 Ca 0.57 0.94 -0.12 0.00 0.48 0.00 0.00 55.95 57.82 2qni s SER 46 Cb -0.10 -1.48 0.24 0.00 0.10 0.00 0.00 66.02 64.78 2qni s SER 46 CO 0.16 -2.90 1.68 -0.08 0.98 0.00 0.00 173.24 173.08 2qni h GLU 47 N -1.74 0.14 -0.15 4.02 4.81 -1.95 0.12 114.58 119.84 2qni h GLU 47 Ca -0.51 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2qni h GLU 47 Cb 1.32 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2qni h GLU 47 CO 0.57 0.09 0.02 -0.09 -0.73 0.00 0.00 179.01 178.87 2qni h ARG 48 N 0.15 0.26 -0.17 1.92 9.65 -1.92 -1.13 114.38 123.13 2qni h ARG 48 Ca 0.28 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 59.12 2qni h ARG 48 Cb 0.43 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 2qni h ARG 48 CO -0.44 0.45 0.01 0.78 2.80 0.00 0.00 179.97 183.57 2qni h GLY 49 N 0.03 0.17 0.94 2.80 0.00 -1.62 -1.59 103.07 103.80 2qni h GLY 49 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.40 2qni h GLY 49 CO 0.00 -0.02 0.34 0.00 0.00 0.00 0.00 176.54 176.87 2qni h ALA 50 N 1.14 0.69 -0.55 3.60 0.00 -0.73 -1.79 119.26 121.63 2qni h ALA 50 Ca 0.08 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2qni h ALA 50 Cb 0.09 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 2qni h ALA 50 CO -0.13 0.09 0.07 1.49 0.00 0.00 0.00 179.25 180.77 2qni h GLU 51 N 0.69 0.19 -0.55 0.00 4.81 -0.96 -0.42 114.58 118.34 2qni h GLU 51 Ca 0.21 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2qni h GLU 51 Cb -0.03 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2qni h GLU 51 CO -0.07 0.12 -0.08 0.00 -0.73 0.00 0.00 179.01 178.25 2qni h ARG 52 N 0.19 1.03 -0.28 1.92 3.08 -0.73 0.40 114.38 119.99 2qni h ARG 52 Ca 0.29 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2qni h ARG 52 Cb 0.43 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2qni h ARG 52 CO -0.41 1.06 0.07 0.00 -1.07 0.00 0.00 179.97 179.62 2qni h ALA 53 N 0.94 0.37 -0.68 0.04 0.00 -1.02 -0.84 119.26 118.07 2qni h ALA 53 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qni h ALA 53 Cb 0.65 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2qni h ALA 53 CO 0.04 0.03 0.44 0.00 0.00 0.00 0.00 179.25 179.77 2qni h ARG 54 N 0.29 0.86 -0.38 0.00 3.08 -0.83 -0.70 114.38 116.70 2qni h ARG 54 Ca 0.09 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.12 2qni h ARG 54 Cb 0.29 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2qni h ARG 54 CO 0.00 0.57 0.17 0.93 -1.07 0.00 0.00 179.97 180.57 2qni h GLU 55 N 0.89 0.33 -0.74 0.04 5.08 -0.71 -2.13 114.58 117.34 2qni h GLU 55 Ca 0.26 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2qni h GLU 55 Cb -0.06 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2qni h GLU 55 CO -0.07 0.22 0.45 0.00 -1.00 0.00 0.00 179.01 178.61 2qni h ALA 56 N 1.22 1.40 0.00 3.43 0.00 -0.77 -2.86 119.26 121.69 2qni h ALA 56 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2qni h ALA 56 Cb 0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qni h ALA 56 CO -0.14 0.52 -0.03 0.66 0.00 0.00 0.00 179.25 180.26 2qni h SER 57 N 1.02 0.00 0.06 0.00 4.64 -0.44 -1.20 113.55 117.63 2qni h SER 57 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2qni h SER 57 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2qni h SER 57 CO -0.05 0.03 -0.13 0.54 -0.87 0.00 0.00 176.83 176.35 2qni n ARG 58 N -3.55 1.45 -2.87 4.77 1.74 -1.08 -4.04 116.66 113.08 2qni n ARG 58 Ca -0.02 -0.96 -0.34 0.00 -0.77 0.00 0.00 57.85 55.75 2qni n ARG 58 Cb 0.13 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.46 30.02 2qni n ARG 58 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qni s LEU 59 N -2.21 4.09 0.23 0.55 1.43 -0.45 -4.87 118.68 117.44 2qni s LEU 59 Ca 0.30 1.65 -0.07 0.00 -1.03 0.00 0.00 54.13 54.98 2qni s LEU 59 Cb 0.20 -4.28 0.39 0.00 0.03 0.00 0.00 46.19 42.53 2qni s LEU 59 CO 0.41 -0.24 1.70 -0.65 0.23 0.00 0.00 176.35 177.80 2qni h PRO 60 N 2.38 0.27 -0.83 1.29 0.11 -1.91 0.02 132.00 133.33 2qni h PRO 60 Ca -0.48 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.66 2qni h PRO 60 Cb 1.18 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 2qni h PRO 60 CO 0.63 0.18 0.54 0.11 -0.21 0.00 0.00 178.00 179.25 2qni h TRP 61 N 0.28 0.96 -0.05 0.65 5.08 -1.91 -1.87 115.95 119.09 2qni h TRP 61 Ca 0.37 0.02 -0.24 0.00 1.08 0.00 0.00 58.89 60.12 2qni h TRP 61 Cb 0.60 -0.32 0.01 0.00 -3.00 0.00 0.00 29.16 26.45 2qni h TRP 61 CO -0.25 0.53 -0.93 0.00 -1.28 0.00 0.00 178.44 176.50 2qni h ALA 62 N 1.53 0.25 0.00 0.11 0.00 -1.43 -3.09 119.26 116.63 2qni h ALA 62 Ca 0.35 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2qni h ALA 62 Cb 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2qni h ALA 62 CO -0.12 0.71 -0.06 0.87 0.00 0.00 0.00 179.25 180.65 2qni h LYS 63 N 0.41 0.00 0.00 0.00 1.57 -0.61 -2.51 116.57 115.43 2qni h LYS 63 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2qni h LYS 63 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.88 2qni h LYS 63 CO 0.18 0.06 -0.14 0.00 -0.57 0.00 0.00 179.45 178.98 2qni h ALA 64 N 1.94 0.91 -2.90 3.86 0.00 -1.28 -3.41 119.26 118.38 2qni h ALA 64 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2qni h ALA 64 Cb 0.12 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.00 2qni h ALA 64 CO 0.01 0.00 0.75 -0.51 0.00 0.00 0.00 179.25 179.49 2qni s LEU 65 N -4.79 4.36 -0.01 0.00 1.43 -0.95 -4.45 118.68 114.27 2qni s LEU 65 Ca 0.09 2.91 0.03 0.00 -1.03 0.00 0.00 54.13 56.14 2qni s LEU 65 Cb 0.11 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 2qni s LEU 65 CO 0.64 -0.77 0.07 0.54 0.23 0.00 0.00 176.35 177.06 2qni n ARG 66 N 0.84 0.47 -3.81 1.70 1.74 -0.06 -4.34 116.66 113.19 2qni n ARG 66 Ca 0.02 -0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 2qni n ARG 66 Cb 0.40 -1.08 -0.15 0.00 -1.02 0.00 0.00 32.46 30.60 2qni n ARG 66 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2qni s ARG 67 N -2.23 -0.01 -0.11 5.56 3.52 -0.98 -1.38 118.95 123.31 2qni s ARG 67 Ca -0.01 0.12 0.03 0.00 -0.13 0.00 0.00 55.73 55.74 2qni s ARG 67 Cb 0.02 -0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.28 2qni s ARG 67 CO 0.14 -0.09 -0.22 0.42 -0.81 0.00 0.00 175.30 174.74 2qni s ILE 68 N 0.61 1.94 -0.25 4.11 1.01 0.56 -1.80 121.20 127.38 2qni s ILE 68 Ca -0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 2qni s ILE 68 Cb -0.07 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.72 2qni s ILE 68 CO -0.02 0.53 -0.04 -0.69 0.00 0.00 0.00 174.94 174.72 2qni s VAL 69 N 0.60 3.07 0.08 2.92 1.01 0.58 -1.02 120.40 127.65 2qni s VAL 69 Ca -0.13 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.02 2qni s VAL 69 Cb -0.17 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2qni s VAL 69 CO 0.04 0.22 -0.16 -0.55 0.00 0.00 0.00 175.10 174.64 2qni s SER 70 N 1.37 3.99 1.06 3.32 0.15 0.23 -0.29 113.70 123.53 2qni s SER 70 Ca 0.01 -0.46 -0.12 0.00 0.70 0.00 0.00 55.95 56.09 2qni s SER 70 Cb -0.16 -0.65 0.22 0.00 -1.71 0.00 0.00 66.02 63.72 2qni s SER 70 CO -0.04 0.21 1.07 -0.94 1.20 0.00 0.00 173.24 174.74 2qni s SER 71 N -1.86 1.95 0.00 5.45 1.04 -0.97 -0.62 113.70 118.69 2qni s SER 71 Ca 0.17 1.47 0.30 0.00 0.48 0.00 0.00 55.95 58.37 2qni s SER 71 Cb -0.11 -2.17 1.55 0.00 0.10 0.00 0.00 66.02 65.39 2qni s SER 71 CO 0.09 -3.59 2.02 0.00 0.98 0.00 0.00 173.24 172.74 2qni n ALA 72 N -4.51 2.64 -1.80 5.32 0.00 -1.25 -4.25 120.51 116.66 2qni n ALA 72 Ca 0.05 -0.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.80 2qni n ALA 72 Cb 0.55 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 2qni n ALA 72 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qni s GLU 73 N -1.99 4.72 0.24 0.00 2.02 -1.26 -4.87 118.70 117.55 2qni s GLU 73 Ca 0.43 1.67 -0.05 0.00 0.02 0.00 0.00 54.97 57.04 2qni s GLU 73 Cb 0.21 -3.24 0.43 0.00 0.10 0.00 0.00 34.13 31.64 2qni s GLU 73 CO 0.35 0.31 1.71 1.15 0.02 0.00 0.00 175.26 178.80 2qni h THR 74 N 3.21 0.59 -0.27 3.63 2.02 -1.83 0.77 112.91 121.04 2qni h THR 74 Ca -0.46 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 2qni h THR 74 Cb 1.21 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2qni h THR 74 CO 0.68 0.06 0.13 0.07 0.37 0.00 0.00 175.52 176.84 2qni h LYS 75 N 0.34 0.37 -0.01 6.66 2.10 -1.79 0.25 116.57 124.48 2qni h LYS 75 Ca 0.40 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 58.86 2qni h LYS 75 Cb 0.64 -0.08 0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2qni h LYS 75 CO -0.45 0.29 -0.59 0.00 -2.00 0.00 0.00 179.45 176.70 2qni h ALA 76 N 1.78 0.09 -0.72 0.07 0.00 -1.21 -2.62 119.26 116.64 2qni h ALA 76 Ca 0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2qni h ALA 76 Cb 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2qni h ALA 76 CO -0.01 0.35 0.33 0.82 0.00 0.00 0.00 179.25 180.74 2qni h ILE 77 N -0.08 1.24 -0.86 0.00 2.04 -0.84 -0.68 117.51 118.32 2qni h ILE 77 Ca -0.07 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2qni h ILE 77 Cb 1.30 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 2qni h ILE 77 CO 0.12 0.29 0.50 -0.33 0.00 0.00 0.00 178.15 178.73 2qni h GLU 78 N 1.01 1.17 -0.14 2.37 5.08 -1.01 -0.21 114.58 122.86 2qni h GLU 78 Ca 0.24 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2qni h GLU 78 Cb 0.15 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2qni h GLU 78 CO -0.03 0.84 0.08 1.15 -1.00 0.00 0.00 179.01 180.05 2qni h THR 79 N 1.18 1.08 -0.25 1.13 2.02 -1.00 -3.04 112.91 114.03 2qni h THR 79 Ca 0.31 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.32 2qni h THR 79 Cb -0.02 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2qni h THR 79 CO -0.05 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.91 2qni h ALA 80 N 1.00 0.22 0.00 6.16 0.00 -0.75 0.30 119.26 126.19 2qni h ALA 80 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qni h ALA 80 Cb 0.04 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2qni h ALA 80 CO -0.01 -0.42 0.00 0.72 0.00 0.00 0.00 179.25 179.54 2qni n HIS 81 N -5.15 0.00 0.00 0.00 -0.00 -0.13 -1.67 115.22 108.28 2qni n HIS 81 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2qni n HIS 81 Cb 0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 2qni n HIS 81 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2qni n LEU 83 N 0.63 0.00 -0.83 2.41 4.77 0.09 -2.72 117.00 121.36 2qni n LEU 83 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2qni n LEU 83 Cb 0.00 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.38 2qni n LEU 83 CO 0.00 0.00 0.73 0.00 -1.33 0.00 0.00 177.39 176.79 2qni n ALA 84 N 0.00 2.47 -0.13 -1.18 0.00 -0.67 -4.55 120.51 116.45 2qni n ALA 84 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 53.44 52.73 2qni n ALA 84 Cb 0.00 -0.99 0.33 0.00 0.00 0.00 0.00 19.45 18.79 2qni n ALA 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qni h GLU 85 N 3.21 0.78 0.01 0.00 5.08 -1.80 0.20 114.58 122.06 2qni h GLU 85 Ca 0.00 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.04 2qni h GLU 85 Cb 0.71 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2qni h GLU 85 CO 0.00 0.52 -1.48 2.41 -1.00 0.00 0.00 179.01 179.46 2qni n THR 86 N -4.45 1.55 -0.14 1.13 -1.04 -1.26 -4.54 114.28 105.53 2qni n THR 86 Ca 0.07 -0.11 -0.03 0.00 -2.04 0.00 0.00 64.05 61.94 2qni n THR 86 Cb 0.08 -2.00 0.19 0.00 -1.82 0.00 0.00 70.33 66.78 2qni n THR 86 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2qni h SER 87 N -0.94 0.78 -1.25 8.00 4.64 -1.79 -3.47 113.55 119.53 2qni h SER 87 Ca -0.40 -0.13 -0.33 0.00 -0.47 0.00 0.00 61.79 60.46 2qni h SER 87 Cb 1.39 -0.20 -0.09 0.00 -0.31 0.00 0.00 62.40 63.18 2qni h SER 87 CO -0.22 0.75 -0.33 0.61 -0.87 0.00 0.00 176.83 176.76 2qni n GLY 88 N -0.89 1.01 3.54 -0.77 0.00 0.70 -4.98 105.19 103.80 2qni n GLY 88 Ca 0.04 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 2qni n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qni n ALA 89 N 0.32 -0.51 -1.77 4.61 0.00 -1.26 -4.93 120.51 116.97 2qni n ALA 89 Ca -0.17 0.13 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 2qni n ALA 89 Cb 0.56 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 2qni n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qni s ALA 90 N -1.45 3.45 -0.15 0.00 0.00 -0.48 -4.79 121.76 118.35 2qni s ALA 90 Ca 0.66 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.67 2qni s ALA 90 Cb -0.53 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.17 2qni s ALA 90 CO 0.55 -0.39 -0.09 0.42 0.00 0.00 0.00 175.76 176.25 2qni s ILE 91 N -1.11 3.40 -0.08 0.00 1.01 -1.26 -0.32 121.20 122.84 2qni s ILE 91 Ca 0.47 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.63 2qni s ILE 91 Cb -0.36 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 2qni s ILE 91 CO 0.46 0.50 -0.21 -0.70 0.00 0.00 0.00 174.94 175.00 2qni s GLU 92 N 0.44 2.80 -0.18 2.79 2.12 -0.19 -4.98 118.70 121.51 2qni s GLU 92 Ca -0.07 -0.83 -0.07 0.00 0.36 0.00 0.00 54.97 54.36 2qni s GLU 92 Cb -0.15 -2.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 2qni s GLU 92 CO 0.04 0.34 0.06 0.42 -0.54 0.00 0.00 175.26 175.58 2qni s ILE 93 N -0.04 4.74 -0.27 -3.70 -1.09 -1.26 -0.60 121.20 118.97 2qni s ILE 93 Ca -0.06 -0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.32 2qni s ILE 93 Cb -0.15 -3.13 0.08 0.00 -1.58 0.00 0.00 42.46 37.68 2qni s ILE 93 CO 0.05 0.46 0.01 -0.63 -1.23 0.00 0.00 174.94 173.59 2qni s ILE 94 N 0.42 1.42 0.35 2.92 -1.09 0.21 -4.95 121.20 120.48 2qni s ILE 94 Ca 0.03 -1.42 0.12 0.00 -2.23 0.00 0.00 60.65 57.15 2qni s ILE 94 Cb -0.13 -1.86 0.34 0.00 -1.58 0.00 0.00 42.46 39.24 2qni s ILE 94 CO 0.00 -0.35 1.78 -0.08 -1.23 0.00 0.00 174.94 175.07 2qni h GLU 95 N 7.95 0.55 -3.69 2.79 4.57 -1.93 -3.34 114.58 121.49 2qni h GLU 95 Ca -0.14 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 57.77 2qni h GLU 95 Cb 1.05 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2qni h GLU 95 CO 0.44 0.36 1.96 0.00 -1.18 0.00 0.00 179.01 180.60 2qni n ALA 96 N -2.40 3.20 0.00 2.92 0.00 -1.26 -4.68 120.51 118.29 2qni n ALA 96 Ca 0.24 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2qni n ALA 96 Cb 0.71 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.35 2qni n ALA 96 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2qni n HIS 98 N 4.60 0.00 -1.53 0.00 -0.00 -1.26 -4.57 115.22 112.46 2qni n HIS 98 Ca 0.27 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.65 2qni n HIS 98 Cb 0.08 -0.06 0.08 0.00 -0.00 0.00 0.00 29.99 30.09 2qni n HIS 98 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2qni s GLU 99 N -3.39 2.31 -0.22 -1.40 2.56 -1.26 -4.87 118.70 112.43 2qni s GLU 99 Ca 0.00 1.70 -0.31 0.00 0.00 0.00 0.00 54.97 56.36 2qni s GLU 99 Cb 0.00 -1.86 -0.14 0.00 2.00 0.00 0.00 34.13 34.13 2qni s GLU 99 CO 0.00 -1.69 0.98 0.09 -0.56 0.00 0.00 175.26 174.08 2qni n ASN 100 N -2.60 0.53 -4.69 -1.70 3.02 -1.26 -4.82 115.26 103.74 2qni n ASN 100 Ca 0.13 0.83 -0.42 0.00 -0.03 0.00 0.00 54.58 55.08 2qni n ASN 100 Cb 0.50 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 2qni n ASN 100 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2qni s ASP 101 N 1.31 7.07 -0.12 6.41 2.15 -1.26 -4.89 116.67 127.34 2qni s ASP 101 Ca 0.70 1.77 0.19 0.00 0.43 0.00 0.00 52.55 55.64 2qni s ASP 101 Cb -0.99 -2.56 0.38 0.00 -0.30 0.00 0.00 42.92 39.45 2qni s ASP 101 CO 0.51 -0.58 1.17 -2.11 -0.17 0.00 0.00 175.17 173.99 2qni n ARG 102 N 5.29 0.71 0.16 4.34 1.85 -1.26 -0.94 116.66 126.80 2qni n ARG 102 Ca 0.11 -2.20 0.04 0.00 -1.00 0.00 0.00 57.85 54.80 2qni n ARG 102 Cb 0.46 -0.36 0.13 0.00 -1.05 0.00 0.00 32.46 31.64 2qni n ARG 102 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2qni h SER 103 N 1.34 0.00 0.42 2.89 4.64 -1.92 -3.29 113.55 117.63 2qni h SER 103 Ca -0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 2qni h SER 103 Cb 1.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2qni h SER 103 CO 0.02 0.43 -0.07 0.00 -0.87 0.00 0.00 176.83 176.35 2qni h ALA 104 N 1.57 1.16 0.00 5.18 0.00 -1.85 -3.05 119.26 122.27 2qni h ALA 104 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2qni h ALA 104 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2qni h ALA 104 CO 0.06 0.08 -0.28 0.00 0.00 0.00 0.00 179.25 179.11 2qni h THR 105 N 0.00 0.50 -0.25 0.00 1.03 -1.73 -3.48 112.91 108.98 2qni h THR 105 Ca -0.00 -1.62 0.00 0.00 -0.01 0.00 0.00 66.41 64.78 2qni h THR 105 Cb 0.30 2.18 0.00 0.00 -1.07 0.00 0.00 68.15 69.56 2qni h THR 105 CO 0.01 0.28 0.00 0.61 -0.01 0.00 0.00 175.52 176.40 2qni n GLY 106 N 1.03 -0.51 3.74 2.99 0.00 -1.16 -4.81 105.19 106.47 2qni n GLY 106 Ca 0.02 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 2qni n GLY 106 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qni s PHE 107 N 0.00 3.28 -0.10 1.61 5.36 -1.26 -4.99 117.98 121.89 2qni s PHE 107 Ca 0.00 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 2qni s PHE 107 Cb 0.00 -3.58 0.02 0.00 -0.34 0.00 0.00 43.02 39.12 2qni s PHE 107 CO 0.00 -1.80 -0.09 -0.51 -1.46 0.00 0.00 175.22 171.36 2qni s LEU 108 N -0.01 1.36 0.70 6.12 1.43 -1.26 -5.13 118.68 121.89 2qni s LEU 108 Ca 0.57 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 53.20 2qni s LEU 108 Cb -0.36 -0.85 0.02 0.00 0.03 0.00 0.00 46.19 45.03 2qni s LEU 108 CO 0.37 -0.07 1.20 -2.16 0.23 0.00 0.00 176.35 175.92 2qni s PRO 109 N 1.36 2.36 0.26 1.29 0.04 -1.26 -4.60 135.00 134.45 2qni s PRO 109 Ca -0.01 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 2qni s PRO 109 Cb -0.14 -1.86 0.56 0.00 0.04 0.00 0.00 34.50 33.10 2qni s PRO 109 CO -0.05 -1.66 1.70 -1.35 0.04 0.00 0.00 177.00 175.68 2qni h PRO 110 N -0.05 0.36 -0.81 0.56 0.11 -2.01 0.33 132.00 130.49 2qni h PRO 110 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2qni h PRO 110 Cb 1.29 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2qni h PRO 110 CO 0.51 0.24 0.45 -1.35 -0.21 0.00 0.00 178.00 177.64 2qni h PRO 111 N 0.37 1.13 -0.30 1.05 0.11 -2.00 0.03 132.00 132.38 2qni h PRO 111 Ca 0.47 -0.13 -0.18 0.00 0.11 0.00 0.00 66.00 66.27 2qni h PRO 111 Cb 0.81 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 2qni h PRO 111 CO -0.49 0.82 -0.52 0.93 -0.21 0.00 0.00 178.00 178.53 2qni h GLU 112 N 1.13 0.89 -0.39 1.05 3.07 -1.75 -3.02 114.58 115.56 2qni h GLU 112 Ca 0.29 -0.55 0.06 0.00 -0.50 0.00 0.00 59.36 58.65 2qni h GLU 112 Cb 0.02 0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 27.94 2qni h GLU 112 CO -0.05 1.19 0.09 0.35 -1.40 0.00 0.00 179.01 179.19 2qni h PHE 113 N 0.69 0.14 -0.66 4.33 3.57 -0.47 -0.23 116.94 124.31 2qni h PHE 113 Ca 0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2qni h PHE 113 Cb 1.13 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 2qni h PHE 113 CO 0.07 0.02 0.36 0.93 -2.23 0.00 0.00 178.31 177.47 2qni h GLU 114 N 0.22 0.65 -0.41 1.11 4.39 -0.97 0.43 114.58 120.00 2qni h GLU 114 Ca 0.19 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 2qni h GLU 114 Cb 0.22 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2qni h GLU 114 CO -0.24 0.43 -0.27 0.87 -1.16 0.00 0.00 179.01 178.65 2qni h LYS 115 N 0.67 0.86 -0.65 2.33 1.57 -1.37 -0.59 116.57 119.38 2qni h LYS 115 Ca 0.30 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2qni h LYS 115 Cb 0.19 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2qni h LYS 115 CO -0.18 1.02 0.34 0.00 -0.57 0.00 0.00 179.45 180.06 2qni h ALA 116 N 0.96 0.84 -0.14 3.86 0.00 -0.38 0.54 119.26 124.93 2qni h ALA 116 Ca 0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qni h ALA 116 Cb 0.81 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2qni h ALA 116 CO 0.07 0.37 0.08 0.00 0.00 0.00 0.00 179.25 179.77 2qni h ALA 117 N 1.16 0.18 -0.58 0.00 0.00 0.01 0.12 119.26 120.14 2qni h ALA 117 Ca 0.23 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2qni h ALA 117 Cb 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 2qni h ALA 117 CO -0.03 -0.29 0.09 -0.44 0.00 0.00 0.00 179.25 178.58 2qni h ASP 118 N 0.14 -0.06 -0.38 0.00 3.32 -0.85 -2.16 116.42 116.43 2qni h ASP 118 Ca 0.05 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2qni h ASP 118 Cb 0.06 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2qni h ASP 118 CO -0.01 -0.02 0.20 -0.25 -1.72 0.00 0.00 179.24 177.44 2qni h TRP 119 N 0.22 0.53 -0.51 4.55 7.01 -0.36 -0.14 115.95 127.26 2qni h TRP 119 Ca 0.30 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.39 2qni h TRP 119 Cb 0.46 -0.17 -0.10 0.00 -2.10 0.00 0.00 29.16 27.25 2qni h TRP 119 CO -0.27 0.43 -0.12 0.35 -2.79 0.00 0.00 178.44 176.04 2qni h PHE 120 N 0.48 -0.26 -0.11 2.65 3.57 -0.21 0.71 116.94 123.78 2qni h PHE 120 Ca 0.13 0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 2qni h PHE 120 Cb 0.08 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2qni h PHE 120 CO -0.02 -0.21 -0.70 0.74 -2.23 0.00 0.00 178.31 175.89 2qni h PHE 121 N 0.00 0.63 0.00 0.41 0.04 -1.18 -3.27 116.94 113.57 2qni h PHE 121 Ca 0.25 -0.27 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 2qni h PHE 121 Cb 0.37 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2qni h PHE 121 CO -0.43 1.02 -0.45 0.00 -0.60 0.00 0.00 178.31 177.86 2qni h ALA 122 N 0.91 0.99 -2.14 2.45 0.00 -0.21 -3.35 119.26 117.90 2qni h ALA 122 Ca -0.03 -0.41 -0.58 0.00 0.00 0.00 0.00 54.91 53.89 2qni h ALA 122 Cb 1.27 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.58 2qni h ALA 122 CO 0.12 0.56 -0.77 0.72 0.00 0.00 0.00 179.25 179.89 2qni n HIS 123 N -3.62 2.48 0.28 0.00 8.25 0.17 -4.96 115.22 117.82 2qni n HIS 123 Ca -0.00 -3.97 0.16 0.00 -0.26 0.00 0.00 57.72 53.65 2qni n HIS 123 Cb 0.54 -0.49 0.83 0.00 1.12 0.00 0.00 29.99 31.99 2qni n HIS 123 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qni h PRO 124 N 3.90 0.00 -0.30 -0.41 0.13 -1.69 -2.21 132.00 131.42 2qni h PRO 124 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2qni h PRO 124 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2qni h PRO 124 CO 0.72 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.95 2qni n GLU 125 N -3.43 1.94 -4.31 0.86 1.02 -1.26 -0.98 120.64 114.48 2qni n GLU 125 Ca -0.02 -1.43 -0.24 0.00 -0.02 0.00 0.00 57.16 55.46 2qni n GLU 125 Cb 0.21 -1.39 -0.12 0.00 -0.02 0.00 0.00 31.44 30.12 2qni n GLU 125 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2qni s GLU 126 N -1.61 1.19 -0.23 3.49 2.02 -0.83 -5.04 118.70 117.69 2qni s GLU 126 Ca 0.32 -1.25 -0.15 0.00 0.02 0.00 0.00 54.97 53.91 2qni s GLU 126 Cb 0.17 -1.41 -0.04 0.00 0.10 0.00 0.00 34.13 32.95 2qni s GLU 126 CO 0.24 0.32 0.38 0.45 0.02 0.00 0.00 175.26 176.67 2qni s SER 127 N -2.14 6.36 -0.43 -0.19 0.15 -1.26 -4.48 113.70 111.71 2qni s SER 127 Ca 0.10 0.41 -0.28 0.00 0.70 0.00 0.00 55.95 56.88 2qni s SER 127 Cb -0.09 -2.22 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 2qni s SER 127 CO 0.05 -0.11 1.06 0.12 1.20 0.00 0.00 173.24 175.56 2qni s PHE 128 N 1.57 2.93 -1.31 3.44 5.36 -1.26 -4.34 117.98 124.36 2qni s PHE 128 Ca 0.17 0.74 -0.02 0.00 -0.96 0.00 0.00 56.93 56.86 2qni s PHE 128 Cb -0.15 -4.12 0.01 0.00 -0.34 0.00 0.00 43.02 38.42 2qni s PHE 128 CO 0.08 -1.09 0.17 1.04 -1.46 0.00 0.00 175.22 173.96 2qni n GLN 129 N 7.41 -2.69 -0.72 10.12 1.13 -1.26 0.28 117.38 131.65 2qni n GLN 129 Ca 0.10 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.86 2qni n GLN 129 Cb 0.48 -5.37 0.00 0.00 0.11 0.00 0.00 30.24 25.46 2qni n GLN 129 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qni n GLY 130 N -1.01 0.83 3.71 1.08 0.00 -1.26 -4.22 105.19 104.32 2qni n GLY 130 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2qni n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qni s TRP 131 N -3.27 1.89 0.27 1.61 0.52 0.14 -4.73 118.94 115.37 2qni s TRP 131 Ca 0.00 1.63 -0.30 0.00 0.02 0.00 0.00 56.10 57.45 2qni s TRP 131 Cb 0.00 -3.51 -0.13 0.00 -1.15 0.00 0.00 33.47 28.68 2qni s TRP 131 CO 0.00 -2.82 1.37 -1.91 0.02 0.00 0.00 176.95 173.61 2qni n GLU 132 N -2.99 2.05 -2.04 4.98 2.13 -0.12 -4.29 120.64 120.36 2qni n GLU 132 Ca 0.14 0.73 -0.40 0.00 0.66 0.00 0.00 57.16 58.28 2qni n GLU 132 Cb 0.50 -2.36 -0.01 0.00 0.27 0.00 0.00 31.44 29.84 2qni n GLU 132 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2qni s ARG 133 N -0.84 4.17 0.27 5.31 0.52 -1.26 -4.74 118.95 122.38 2qni s ARG 133 Ca 0.64 2.26 -0.01 0.00 -0.52 0.00 0.00 55.73 58.10 2qni s ARG 133 Cb -0.63 -2.94 0.46 0.00 0.52 0.00 0.00 34.95 32.36 2qni s ARG 133 CO 0.53 -0.36 1.87 0.00 0.02 0.00 0.00 175.30 177.37 2qni h ALA 134 N 3.06 1.45 -0.78 2.13 0.00 -1.75 0.45 119.26 123.83 2qni h ALA 134 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2qni h ALA 134 Cb 1.24 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2qni h ALA 134 CO 0.64 0.37 0.50 0.97 0.00 0.00 0.00 179.25 181.74 2qni h ILE 135 N 1.12 1.21 -0.07 0.00 6.09 -1.41 0.97 117.51 125.42 2qni h ILE 135 Ca 0.45 -0.40 -0.12 0.00 -1.37 0.00 0.00 64.86 63.42 2qni h ILE 135 Cb 0.27 0.07 0.01 0.00 0.47 0.00 0.00 36.82 37.64 2qni h ILE 135 CO -0.20 0.20 -0.45 0.44 -3.07 0.00 0.00 178.15 175.08 2qni h ASP 136 N 1.06 0.51 -0.93 2.19 3.32 -1.58 -1.62 116.42 119.37 2qni h ASP 136 Ca 0.28 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2qni h ASP 136 Cb -0.10 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 2qni h ASP 136 CO -0.06 1.10 0.60 0.00 -1.72 0.00 0.00 179.24 179.16 2qni h ALA 137 N 0.42 1.30 -0.19 3.45 0.00 -0.76 -0.08 119.26 123.39 2qni h ALA 137 Ca -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2qni h ALA 137 Cb 1.11 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2qni h ALA 137 CO 0.09 0.63 0.06 0.37 0.00 0.00 0.00 179.25 180.40 2qni h GLN 138 N 1.27 0.30 -0.73 0.00 4.15 -0.78 -0.85 115.11 118.47 2qni h GLN 138 Ca 0.34 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.76 2qni h GLN 138 Cb -0.12 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.47 2qni h GLN 138 CO -0.07 0.40 0.41 0.00 -1.93 0.00 0.00 178.83 177.64 2qni h ALA 139 N 0.88 0.99 0.16 3.38 0.00 -0.98 -0.55 119.26 123.14 2qni h ALA 139 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qni h ALA 139 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qni h ALA 139 CO -0.00 0.08 -0.08 -0.09 0.00 0.00 0.00 179.25 179.16 2qni h ARG 140 N 0.74 -0.21 -0.53 0.00 2.43 -0.76 0.12 114.38 116.17 2qni h ARG 140 Ca 0.33 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.42 2qni h ARG 140 Cb 0.23 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2qni h ARG 140 CO -0.20 -0.05 -0.05 0.97 -1.51 0.00 0.00 179.97 179.12 2qni h ILE 141 N -0.33 1.26 -0.26 1.20 6.09 -0.91 -0.71 117.51 123.85 2qni h ILE 141 Ca -0.02 -1.16 -0.02 0.00 -1.37 0.00 0.00 64.86 62.28 2qni h ILE 141 Cb 0.26 0.91 -0.01 0.00 0.47 0.00 0.00 36.82 38.45 2qni h ILE 141 CO 0.04 0.41 0.07 0.58 -3.07 0.00 0.00 178.15 176.18 2qni h VAL 142 N 0.85 1.21 -0.99 2.19 2.07 -1.04 -0.58 116.25 119.96 2qni h VAL 142 Ca 0.15 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 67.02 2qni h VAL 142 Cb 0.58 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2qni h VAL 142 CO 0.03 0.22 0.65 -0.08 0.02 0.00 0.00 177.57 178.41 2qni h GLU 143 N 0.25 1.26 -0.21 1.57 4.81 -0.79 0.13 114.58 121.59 2qni h GLU 143 Ca 0.08 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2qni h GLU 143 Cb 0.27 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2qni h GLU 143 CO -0.00 0.83 -0.16 0.00 -0.73 0.00 0.00 179.01 178.95 2qni h ALA 144 N 1.38 0.31 -0.52 2.92 0.00 -0.83 -0.04 119.26 122.47 2qni h ALA 144 Ca 0.38 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2qni h ALA 144 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2qni h ALA 144 CO -0.10 0.20 0.08 0.28 0.00 0.00 0.00 179.25 179.71 2qni h VAL 145 N 0.17 1.25 -0.39 0.00 2.07 -0.96 -2.54 116.25 115.85 2qni h VAL 145 Ca 0.04 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.64 2qni h VAL 145 Cb 0.69 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2qni h VAL 145 CO 0.04 0.34 0.18 0.50 0.02 0.00 0.00 177.57 178.66 2qni h LYS 146 N 0.75 0.37 -0.49 1.57 3.64 -0.61 0.33 116.57 122.13 2qni h LYS 146 Ca 0.16 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2qni h LYS 146 Cb 0.41 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2qni h LYS 146 CO 0.01 0.24 0.30 0.00 -2.27 0.00 0.00 179.45 177.73 2qni h ALA 147 N 1.21 0.62 -0.20 5.00 0.00 -0.86 0.29 119.26 125.33 2qni h ALA 147 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2qni h ALA 147 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qni h ALA 147 CO -0.12 0.01 0.08 0.28 0.00 0.00 0.00 179.25 179.49 2qni h VAL 148 N 0.60 1.16 -0.21 0.00 2.07 -1.16 -3.00 116.25 115.71 2qni h VAL 148 Ca 0.19 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 2qni h VAL 148 Cb -0.00 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2qni h VAL 148 CO -0.08 0.15 -0.32 -0.07 0.02 0.00 0.00 177.57 177.27 2qni h LEU 149 N 0.17 0.44 -1.23 2.57 3.38 -0.53 -2.47 115.31 117.63 2qni h LEU 149 Ca 0.07 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.92 2qni h LEU 149 Cb 0.16 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2qni h LEU 149 CO -0.01 0.74 0.54 0.44 0.09 0.00 0.00 178.44 180.24 2qni h ASP 150 N 0.37 0.84 -0.68 -0.43 3.32 -0.33 -2.20 116.42 117.32 2qni h ASP 150 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2qni h ASP 150 Cb 0.75 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2qni h ASP 150 CO 0.06 0.57 0.00 -2.11 -1.72 0.00 0.00 179.24 176.03 2qni n ARG 151 N -4.46 3.60 -2.79 3.56 1.85 -1.07 -4.98 116.66 112.38 2qni n ARG 151 Ca 0.11 -2.86 -0.40 0.00 -1.00 0.00 0.00 57.85 53.70 2qni n ARG 151 Cb 0.15 -1.86 -0.06 0.00 -1.05 0.00 0.00 32.46 29.64 2qni n ARG 151 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2qni s HIS 152 N -1.72 3.94 -0.44 2.89 2.46 -0.83 -5.01 115.29 116.58 2qni s HIS 152 Ca 0.52 1.86 -0.26 0.00 0.47 0.00 0.00 55.06 57.64 2qni s HIS 152 Cb 0.32 -2.94 0.02 0.00 -0.13 0.00 0.00 32.58 29.86 2qni s HIS 152 CO 0.26 0.44 0.96 0.34 -2.47 0.00 0.00 174.74 174.28 2qni s ASP 153 N -1.23 6.57 0.53 9.88 -1.08 -1.26 -4.94 116.67 125.15 2qni s ASP 153 Ca 0.41 0.31 0.31 0.00 -0.52 0.00 0.00 52.55 53.07 2qni s ASP 153 Cb -0.25 -2.47 1.69 0.00 -1.46 0.00 0.00 42.92 40.43 2qni s ASP 153 CO 0.30 -1.03 1.94 0.00 0.52 0.00 0.00 175.17 176.89 2qni h ALA 154 N 8.93 1.11 0.00 3.66 0.00 -1.95 -1.48 119.26 129.53 2qni h ALA 154 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qni h ALA 154 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qni h ALA 154 CO 1.03 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 180.18 2qni h ARG 155 N 0.00 0.00 -4.67 0.00 3.08 -1.92 -1.10 114.38 109.78 2qni h ARG 155 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 2qni h ARG 155 Cb 0.24 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.05 2qni h ARG 155 CO 0.00 0.00 -0.54 -0.65 -1.07 0.00 0.00 179.97 177.71 2qni s GLN 156 N -3.19 2.97 0.33 0.04 -1.52 -0.56 -3.82 119.66 113.91 2qni s GLN 156 Ca 0.08 -0.97 -0.29 0.00 -1.95 0.00 0.00 55.36 52.24 2qni s GLN 156 Cb 0.10 -3.63 -0.12 0.00 -0.22 0.00 0.00 33.01 29.14 2qni s GLN 156 CO 0.57 -0.59 1.45 -2.30 -0.25 0.00 0.00 175.29 174.17 2qni n PRO 157 N 4.97 2.46 -4.35 2.91 -0.02 -1.26 -4.64 135.00 135.06 2qni n PRO 157 Ca -0.13 0.87 -0.19 0.00 -2.02 0.00 0.00 63.50 62.03 2qni n PRO 157 Cb 0.47 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 2qni n PRO 157 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2qni s ILE 158 N -0.68 0.92 0.03 4.25 2.07 -1.26 -0.88 121.20 125.65 2qni s ILE 158 Ca 0.59 -0.78 0.03 0.00 -1.41 0.00 0.00 60.65 59.08 2qni s ILE 158 Cb -0.53 -0.83 -0.02 0.00 0.13 0.00 0.00 42.46 41.22 2qni s ILE 158 CO 0.58 0.05 -0.11 0.00 -1.91 0.00 0.00 174.94 173.55 2qni s ALA 159 N -0.66 0.86 -0.12 1.50 0.00 -0.74 -2.42 121.76 120.18 2qni s ALA 159 Ca 0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 2qni s ALA 159 Cb -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2qni s ALA 159 CO 0.00 0.14 0.04 -0.06 0.00 0.00 0.00 175.76 175.89 2qni s PHE 160 N -0.78 3.27 -0.13 0.00 0.08 0.12 -0.31 117.98 120.24 2qni s PHE 160 Ca -0.01 0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.28 2qni s PHE 160 Cb -0.07 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2qni s PHE 160 CO 0.01 0.44 -0.18 0.08 -0.10 0.00 0.00 175.22 175.46 2qni s VAL 161 N -0.59 1.77 0.00 -0.44 1.01 0.61 -0.25 120.40 122.51 2qni s VAL 161 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2qni s VAL 161 Cb -0.12 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.67 2qni s VAL 161 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2qni n GLY 162 N 4.16 1.38 3.21 4.51 0.00 0.10 -2.29 105.19 116.26 2qni n GLY 162 Ca -0.19 0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 2qni n GLY 162 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qni s HIS 163 N 1.95 1.37 0.26 1.61 3.76 -1.26 -1.36 115.29 121.61 2qni s HIS 163 Ca 0.00 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 2qni s HIS 163 Cb 0.00 -0.76 0.35 0.00 1.11 0.00 0.00 32.58 33.28 2qni s HIS 163 CO 0.00 0.10 1.69 0.78 -0.85 0.00 0.00 174.74 176.46 2qni h GLY 164 N 4.17 0.60 0.60 -2.22 0.00 -1.95 -0.76 103.07 103.52 2qni h GLY 164 Ca -0.42 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.38 2qni h GLY 164 CO 0.41 0.46 -0.29 -1.33 0.00 0.00 0.00 176.54 175.79 2qni h GLY 165 N 1.01 -0.84 1.89 4.60 0.00 -1.99 -0.06 103.07 107.69 2qni h GLY 165 Ca 0.07 0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 2qni h GLY 165 CO 0.05 -0.31 -0.21 -0.39 0.00 0.00 0.00 176.54 175.68 2qni h VAL 166 N -1.17 1.19 -0.76 4.60 -1.51 -1.90 -2.43 116.25 114.27 2qni h VAL 166 Ca -0.08 -0.90 0.01 0.00 -1.23 0.00 0.00 66.70 64.49 2qni h VAL 166 Cb 0.62 1.38 -0.04 0.00 -2.13 0.00 0.00 31.29 31.11 2qni h VAL 166 CO 0.13 0.27 0.50 1.23 -1.23 0.00 0.00 177.57 178.47 2qni h GLY 167 N 0.80 1.07 1.00 5.19 0.00 -1.09 0.79 103.07 110.84 2qni h GLY 167 Ca 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 2qni h GLY 167 CO 0.03 0.40 0.32 -0.84 0.00 0.00 0.00 176.54 176.45 2qni h THR 168 N 1.03 1.22 -0.62 4.70 2.02 -0.54 -0.64 112.91 120.08 2qni h THR 168 Ca 0.28 -0.60 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 2qni h THR 168 Cb -0.11 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 2qni h THR 168 CO -0.06 0.25 0.16 -0.07 0.37 0.00 0.00 175.52 176.17 2qni h LEU 169 N 0.88 0.93 -0.18 2.58 3.38 -0.97 -0.36 115.31 121.57 2qni h LEU 169 Ca 0.22 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qni h LEU 169 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2qni h LEU 169 CO -0.03 0.92 0.08 0.25 0.09 0.00 0.00 178.44 179.75 2qni h LEU 170 N 0.90 0.10 -0.62 1.67 5.85 -0.67 -2.08 115.31 120.47 2qni h LEU 170 Ca 0.20 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.98 2qni h LEU 170 Cb 0.35 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2qni h LEU 170 CO 0.00 0.09 0.34 0.50 -0.34 0.00 0.00 178.44 179.03 2qni h LYS 171 N 0.17 0.62 -0.37 1.25 3.64 -0.68 -0.65 116.57 120.56 2qni h LYS 171 Ca 0.08 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2qni h LYS 171 Cb 0.03 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2qni h LYS 171 CO -0.07 0.41 0.16 0.00 -2.27 0.00 0.00 179.45 177.69 2qni h HIS 173 N 0.34 0.04 -0.59 0.00 -0.00 -0.75 -1.74 115.15 112.46 2qni h HIS 173 Ca 0.16 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.56 2qni h HIS 173 Cb 0.09 0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 2qni h HIS 173 CO -0.11 0.00 0.37 0.82 -0.00 0.00 0.00 177.93 179.01 2qni h ILE 174 N 0.10 1.11 0.00 6.26 2.04 -0.91 -2.28 117.51 123.83 2qni h ILE 174 Ca 0.09 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2qni h ILE 174 Cb 0.09 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2qni h ILE 174 CO -0.13 0.14 0.00 -0.62 0.00 0.00 0.00 178.15 177.54 2qni n GLU 175 N -4.71 0.41 -1.92 2.37 1.02 -0.65 -0.93 120.64 116.23 2qni n GLU 175 Ca 0.05 0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 57.08 2qni n GLU 175 Cb 0.05 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.95 2qni n GLU 175 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qni n GLY 176 N 1.21 0.34 3.75 0.62 0.00 -0.72 -4.36 105.19 106.03 2qni n GLY 176 Ca 0.14 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 2qni n GLY 176 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qni s ARG 177 N -4.03 2.67 0.83 1.61 1.70 -0.83 -5.00 118.95 115.90 2qni s ARG 177 Ca 0.00 -1.17 -0.10 0.00 -0.47 0.00 0.00 55.73 53.98 2qni s ARG 177 Cb 0.00 -2.41 0.10 0.00 -0.57 0.00 0.00 34.95 32.06 2qni s ARG 177 CO 0.00 0.40 1.12 0.20 -1.08 0.00 0.00 175.30 175.93 2qni s GLY 178 N -3.68 1.68 0.06 3.88 0.00 -1.26 -4.40 107.32 103.59 2qni s GLY 178 Ca 0.32 0.41 -0.30 0.00 0.00 0.00 0.00 44.72 45.14 2qni s GLY 178 CO 0.23 0.78 1.83 -0.42 0.00 0.00 0.00 173.10 175.52 2qni s ILE 179 N -2.80 2.94 -0.01 0.90 1.01 -1.26 -4.92 121.20 117.06 2qni s ILE 179 Ca 0.64 0.20 -0.16 0.00 0.00 0.00 0.00 60.65 61.32 2qni s ILE 179 Cb -0.20 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.17 2qni s ILE 179 CO 0.57 -0.01 0.35 -0.94 0.00 0.00 0.00 174.94 174.91 2qni s SER 180 N 3.39 -0.24 0.75 3.58 1.04 -1.26 -4.82 113.70 116.14 2qni s SER 180 Ca 0.82 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 57.27 2qni s SER 180 Cb -0.42 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.08 2qni s SER 180 CO 0.37 -0.48 1.08 -0.60 0.98 0.00 0.00 173.24 174.59 2qni s ARG 181 N -1.43 2.43 0.00 4.02 3.52 -1.26 -4.94 118.95 121.29 2qni s ARG 181 Ca -0.13 1.12 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 2qni s ARG 181 Cb -0.04 -1.92 0.00 0.00 -1.56 0.00 0.00 34.95 31.43 2qni s ARG 181 CO 0.04 -1.51 0.00 0.45 -0.81 0.00 0.00 175.30 173.47 2qni n SER 182 N -3.42 -1.59 -4.86 -2.12 2.88 -1.26 -5.19 113.62 98.06 2qni n SER 182 Ca 0.09 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.32 2qni n SER 182 Cb 0.53 -0.80 -0.04 0.00 -0.75 0.00 0.00 64.21 63.16 2qni n SER 182 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qni s GLN 185 N -2.35 3.86 0.78 -1.46 -2.07 -1.26 -4.93 119.66 112.23 2qni s GLN 185 Ca 0.00 0.58 -0.12 0.00 -1.82 0.00 0.00 55.36 54.00 2qni s GLN 185 Cb 0.00 -2.37 0.07 0.00 -1.09 0.00 0.00 33.01 29.62 2qni s GLN 185 CO 0.00 -0.02 1.14 -2.14 -1.32 0.00 0.00 175.29 172.95 2qni s PRO 186 N -3.66 1.96 0.36 9.60 0.02 -1.26 -4.98 135.00 137.04 2qni s PRO 186 Ca 0.53 1.46 -0.28 0.00 0.02 0.00 0.00 61.00 62.72 2qni s PRO 186 Cb -0.10 -1.84 -0.11 0.00 0.02 0.00 0.00 34.50 32.46 2qni s PRO 186 CO 0.28 -1.91 1.52 0.00 -0.33 0.00 0.00 177.00 176.56 2qni n ALA 187 N -3.35 2.47 0.00 -1.55 0.00 -1.26 -3.47 120.51 113.35 2qni n ALA 187 Ca 0.11 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2qni n ALA 187 Cb 0.52 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2qni n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qni n GLY 188 N 0.85 0.76 7.00 0.00 0.00 -1.26 -5.01 105.19 107.54 2qni n GLY 188 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2qni n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qni n GLY 189 N -1.37 0.40 3.49 -0.02 0.00 -1.23 -2.91 105.19 103.55 2qni n GLY 189 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 2qni n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qni n GLY 190 N 0.00 -0.47 3.63 -0.02 0.00 -0.56 -4.74 105.19 103.03 2qni n GLY 190 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 2qni n GLY 190 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qni s ASN 191 N -3.34 4.64 0.08 1.61 0.01 -1.24 -4.49 114.94 112.21 2qni s ASN 191 Ca 0.54 -0.37 0.01 0.00 -0.71 0.00 0.00 52.86 52.33 2qni s ASN 191 Cb -0.24 -0.96 -0.04 0.00 0.41 0.00 0.00 41.25 40.42 2qni s ASN 191 CO 0.69 0.14 -0.06 -1.48 -1.51 0.00 0.00 177.10 174.88 2qni s LEU 192 N -2.58 2.49 0.08 0.60 0.05 0.39 0.03 118.68 119.75 2qni s LEU 192 Ca 0.25 -0.98 0.01 0.00 0.05 0.00 0.00 54.13 53.46 2qni s LEU 192 Cb -0.10 -0.02 -0.04 0.00 -2.05 0.00 0.00 46.19 43.98 2qni s LEU 192 CO 0.17 -0.48 -0.06 0.72 -0.55 0.00 0.00 176.35 176.15 2qni s PHE 193 N -3.57 0.79 -0.04 3.48 -0.12 -0.58 -1.35 117.98 116.59 2qni s PHE 193 Ca 0.10 -0.95 0.03 0.00 -0.05 0.00 0.00 56.93 56.05 2qni s PHE 193 Cb 0.05 -0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 2qni s PHE 193 CO -0.06 -0.21 -0.12 0.50 -0.05 0.00 0.00 175.22 175.28 2qni s ARG 194 N -3.85 2.54 0.03 1.99 3.52 -1.26 -1.18 118.95 120.74 2qni s ARG 194 Ca 0.10 -0.68 -0.00 0.00 -0.13 0.00 0.00 55.73 55.02 2qni s ARG 194 Cb 0.06 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.99 2qni s ARG 194 CO -0.06 0.63 -0.03 -0.59 -0.81 0.00 0.00 175.30 174.43 2qni s PHE 195 N -0.80 0.35 -0.05 5.12 -0.12 0.02 -3.77 117.98 118.74 2qni s PHE 195 Ca 0.13 -0.67 -0.30 0.00 -0.05 0.00 0.00 56.93 56.04 2qni s PHE 195 Cb -0.11 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 2qni s PHE 195 CO 0.02 -0.23 1.26 0.45 -0.05 0.00 0.00 175.22 176.67 2qni s SER 196 N -1.85 6.99 0.09 1.98 0.15 -1.26 -0.29 113.70 119.51 2qni s SER 196 Ca -0.10 1.88 -0.18 0.00 0.70 0.00 0.00 55.95 58.25 2qni s SER 196 Cb -0.05 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.63 2qni s SER 196 CO -0.03 -0.64 1.56 0.40 1.20 0.00 0.00 173.24 175.73 2qni h ILE 197 N 5.04 1.23 -0.37 6.45 2.04 -1.94 -2.27 117.51 127.70 2qni h ILE 197 Ca -0.34 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 64.78 2qni h ILE 197 Cb 1.16 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.43 2qni h ILE 197 CO 0.90 0.26 0.05 0.00 0.00 0.00 0.00 178.15 179.35 2qni h ALA 198 N 0.86 0.37 -0.18 1.87 0.00 -1.96 -2.69 119.26 117.53 2qni h ALA 198 Ca 0.08 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2qni h ALA 198 Cb 0.34 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2qni h ALA 198 CO 0.01 -0.35 -0.38 0.93 0.00 0.00 0.00 179.25 179.45 2qni h GLU 199 N 0.16 0.40 -0.76 0.00 4.39 -1.91 -3.01 114.58 113.86 2qni h GLU 199 Ca 0.18 -0.19 0.14 0.00 0.34 0.00 0.00 59.36 59.83 2qni h GLU 199 Cb 0.22 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.77 2qni h GLU 199 CO -0.25 0.72 0.31 0.35 -1.16 0.00 0.00 179.01 178.98 2qni h PHE 200 N 0.33 0.53 0.00 4.33 3.57 -1.06 -2.90 116.94 121.76 2qni h PHE 200 Ca 0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2qni h PHE 200 Cb 0.83 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2qni h PHE 200 CO 0.02 0.08 0.00 0.43 -2.23 0.00 0.00 178.31 176.61 2qni n SER 201 N -4.99 0.47 0.00 0.41 7.64 -1.14 -5.05 113.62 110.96 2qni n SER 201 Ca 0.14 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2qni n SER 201 Cb 0.41 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2qni n SER 201 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qni n ALA 203 N 0.56 0.00 -1.57 -0.43 0.00 -1.09 -5.04 120.51 112.94 2qni n ALA 203 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.94 2qni n ALA 203 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 2qni n ALA 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qni n ALA 204 N 1.61 -1.04 -2.76 0.00 0.00 -1.26 -4.91 120.51 112.14 2qni n ALA 204 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2qni n ALA 204 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2qni n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qni n ALA 205 N 1.57 0.00 -3.55 0.00 0.00 -0.10 -4.95 120.51 113.47 2qni n ALA 205 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.53 2qni n ALA 205 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 2qni n ALA 205 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qni s THR 208 N 1.07 0.00 0.81 0.00 -4.23 -1.26 -4.78 115.64 107.24 2qni s THR 208 Ca 0.00 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 2qni s THR 208 Cb 0.00 -1.00 0.08 0.00 1.34 0.00 0.00 72.50 72.92 2qni s THR 208 CO 0.00 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.18 2qni s ASP 210 N -3.31 4.05 0.23 0.00 1.11 -1.26 -4.73 116.67 112.77 2qni s ASP 210 Ca 0.62 2.50 -0.32 0.00 0.18 0.00 0.00 52.55 55.53 2qni s ASP 210 Cb -0.18 -2.60 -0.13 0.00 1.07 0.00 0.00 42.92 41.08 2qni s ASP 210 CO 0.56 -2.37 1.53 0.79 1.18 0.00 0.00 175.17 176.87 2qni n TRP 211 N -2.64 2.44 -4.00 4.23 7.02 -1.26 -4.70 117.44 118.52 2qni n TRP 211 Ca 0.15 0.31 -0.11 0.00 -1.02 0.00 0.00 57.50 56.82 2qni n TRP 211 Cb 0.49 -2.54 -0.11 0.00 -2.42 0.00 0.00 31.31 26.73 2qni n TRP 211 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2qni s THR 212 N 0.30 0.25 0.00 -0.99 -1.32 -0.46 -4.91 115.64 108.52 2qni s THR 212 Ca 0.70 -0.88 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 2qni s THR 212 Cb -0.60 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 2qni s THR 212 CO 0.45 -0.41 0.00 0.00 -2.21 0.00 0.00 174.62 172.45 2qni n ALA 213 N 1.70 0.00 0.00 11.08 0.00 -1.26 -0.46 120.51 131.57 2qni n ALA 213 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2qni n ALA 213 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2qni n ALA 213 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qni n GLU 215 N 0.00 0.00 -0.01 0.00 0.00 -1.26 -2.64 120.64 116.73 2qni n GLU 215 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 2qni n GLU 215 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 31.44 31.48 2qni n GLU 215 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2qni n THR 216 N 0.00 0.07 -2.57 3.84 -2.24 -1.26 -4.72 114.28 107.40 2qni n THR 216 Ca 0.00 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 2qni n THR 216 Cb 0.00 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 2qni n THR 216 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2qni s TRP 217 N -0.74 3.35 -1.21 4.78 -0.00 -1.08 -4.91 118.94 119.13 2qni s TRP 217 Ca 0.11 1.41 0.19 0.00 -0.00 0.00 0.00 56.10 57.80 2qni s TRP 217 Cb 0.07 -3.30 0.68 0.00 -0.00 0.00 0.00 33.47 30.92 2qni s TRP 217 CO 0.11 -0.77 1.59 1.04 -0.00 0.00 0.00 176.95 178.93 2qni n GLN 218 N 5.10 3.52 0.00 5.86 3.00 -1.26 -4.92 117.38 128.69 2qni n GLN 218 Ca 0.10 -2.82 0.15 0.00 -0.01 0.00 0.00 57.00 54.42 2qni n GLN 218 Cb 0.47 -1.81 0.87 0.00 0.00 0.00 0.00 30.24 29.78 2qni n GLN 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47