#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zho s VAL 7 N 0.00 5.05 -0.49 0.00 -7.23 -1.26 -0.92 120.40 115.54 2zho s VAL 7 Ca 0.00 -0.09 0.07 0.00 -1.81 0.00 0.00 61.98 60.14 2zho s VAL 7 Cb 0.00 -3.23 0.23 0.00 0.56 0.00 0.00 36.38 33.94 2zho s VAL 7 CO 0.00 0.51 0.57 0.35 -0.31 0.00 0.00 175.10 176.22 2zho n THR 8 N 1.67 0.34 0.00 5.32 -2.24 -0.64 -4.96 114.28 113.78 2zho n THR 8 Ca -0.17 -4.37 0.00 0.00 -2.27 0.00 0.00 64.05 57.24 2zho n THR 8 Cb 0.54 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 2zho n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2zho n GLY 9 N 1.45 2.60 3.04 3.38 0.00 -1.26 -4.69 105.19 109.71 2zho n GLY 9 Ca 0.25 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 2zho n GLY 9 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2zho s VAL 10 N -2.95 0.17 -0.12 1.61 -7.23 -1.26 -2.78 120.40 107.84 2zho s VAL 10 Ca 0.00 -1.37 -0.04 0.00 -1.81 0.00 0.00 61.98 58.76 2zho s VAL 10 Cb 0.00 -0.92 0.05 0.00 0.56 0.00 0.00 36.38 36.07 2zho s VAL 10 CO 0.00 -0.76 0.07 0.00 -0.31 0.00 0.00 175.10 174.10 2zho s ALA 11 N -2.74 0.42 0.03 1.32 0.00 -0.70 -4.96 121.76 115.14 2zho s ALA 11 Ca -0.04 -0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.60 2zho s ALA 11 Cb -0.01 -0.88 -0.29 0.00 0.00 0.00 0.00 23.12 21.95 2zho s ALA 11 CO -0.06 -0.88 1.08 1.25 0.00 0.00 0.00 175.76 177.14 2zho h LEU 12 N 8.41 0.79 0.00 0.00 5.85 -1.84 0.18 115.31 128.70 2zho h LEU 12 Ca -0.14 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 57.75 2zho h LEU 12 Cb 1.14 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2zho h LEU 12 CO 0.24 1.54 0.00 -0.67 -0.34 0.00 0.00 178.44 179.21 2zho n ASP 13 N -3.89 0.00 -4.73 1.25 -0.08 -1.26 -4.31 116.55 103.53 2zho n ASP 13 Ca -0.13 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.76 2zho n ASP 13 Cb 0.92 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.43 2zho n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2zho n LEU 14 N 0.00 5.25 -4.94 -2.67 -0.00 -1.26 -4.88 117.00 108.49 2zho n LEU 14 Ca 0.00 0.98 -0.24 0.00 -0.00 0.00 0.00 56.01 56.75 2zho n LEU 14 Cb 0.00 -1.56 0.06 0.00 -0.00 0.00 0.00 43.42 41.92 2zho n LEU 14 CO 0.00 -0.68 0.54 -0.62 -0.00 0.00 0.00 177.39 176.63 2zho s ASP 15 N -0.90 4.97 0.00 1.45 2.15 -1.26 -4.96 116.67 118.12 2zho s ASP 15 Ca 0.71 0.32 0.00 0.00 0.43 0.00 0.00 52.55 54.01 2zho s ASP 15 Cb -0.43 -1.05 0.00 0.00 -0.30 0.00 0.00 42.92 41.15 2zho s ASP 15 CO 0.50 -1.45 0.00 1.41 -0.17 0.00 0.00 175.17 175.46 2zho n HIS 16 N -2.74 0.00 -4.83 -5.34 8.25 -1.24 -4.39 115.22 104.93 2zho n HIS 16 Ca 0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.28 2zho n HIS 16 Cb 0.60 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.55 2zho n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2zho s ALA 17 N -4.54 1.52 -0.32 -1.41 0.00 -0.55 -4.36 121.76 112.11 2zho s ALA 17 Ca 0.00 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 2zho s ALA 17 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2zho s ALA 17 CO 0.00 0.28 0.33 -1.14 0.00 0.00 0.00 175.76 175.22 2zho s GLN 18 N 0.04 3.72 -0.39 0.00 0.74 -1.26 -1.62 119.66 120.89 2zho s GLN 18 Ca -0.04 -0.32 -0.00 0.00 0.05 0.00 0.00 55.36 55.05 2zho s GLN 18 Cb -0.11 -3.75 0.11 0.00 1.10 0.00 0.00 33.01 30.35 2zho s GLN 18 CO 0.02 -0.41 0.15 -1.50 -0.55 0.00 0.00 175.29 173.00 2zho s ILE 19 N 1.97 2.92 0.09 -2.34 -1.16 -0.28 -2.41 121.20 120.00 2zho s ILE 19 Ca 0.11 -2.17 0.03 0.00 -0.51 0.00 0.00 60.65 58.12 2zho s ILE 19 Cb -0.16 -3.05 -0.04 0.00 0.61 0.00 0.00 42.46 39.81 2zho s ILE 19 CO 0.11 -0.66 0.07 -0.83 -2.81 0.00 0.00 174.94 170.82 2zho s GLY 20 N 1.48 1.98 -0.18 1.50 0.00 -1.05 -3.04 107.32 108.01 2zho s GLY 20 Ca 0.09 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.69 2zho s GLY 20 CO -0.06 -1.03 0.06 1.08 0.00 0.00 0.00 173.10 173.15 2zho s LEU 21 N -2.45 3.80 0.09 0.66 2.01 -0.89 -1.74 118.68 120.15 2zho s LEU 21 Ca 0.29 0.08 0.05 0.00 0.01 0.00 0.00 54.13 54.56 2zho s LEU 21 Cb -0.12 -1.96 -0.04 0.00 0.01 0.00 0.00 46.19 44.08 2zho s LEU 21 CO 0.22 0.18 -0.02 -0.63 1.01 0.00 0.00 176.35 177.10 2zho s ILE 22 N 0.36 3.91 -0.79 -0.59 -1.09 -0.91 -1.59 121.20 120.50 2zho s ILE 22 Ca 0.03 -1.03 -0.01 0.00 -2.23 0.00 0.00 60.65 57.41 2zho s ILE 22 Cb -0.12 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 2zho s ILE 22 CO 0.00 0.12 0.10 0.61 -1.23 0.00 0.00 174.94 174.54 2zho n GLY 23 N 0.59 0.02 3.91 6.18 0.00 -1.11 -1.56 105.19 113.21 2zho n GLY 23 Ca -0.11 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 2zho n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2zho s ILE 24 N -2.60 5.09 0.39 -0.61 -5.25 -0.82 -1.85 121.20 115.53 2zho s ILE 24 Ca 0.05 -0.03 -0.25 0.00 -0.99 0.00 0.00 60.65 59.43 2zho s ILE 24 Cb -0.02 -3.71 -0.09 0.00 2.95 0.00 0.00 42.46 41.59 2zho s ILE 24 CO 0.06 -0.21 1.08 -2.16 -1.79 0.00 0.00 174.94 171.92 2zho s PRO 25 N -3.30 4.19 -1.40 0.37 0.04 -1.26 0.13 135.00 133.76 2zho s PRO 25 Ca 0.42 1.60 -0.09 0.00 0.04 0.00 0.00 61.00 62.98 2zho s PRO 25 Cb -0.11 -2.63 0.07 0.00 0.04 0.00 0.00 34.50 31.87 2zho s PRO 25 CO 0.28 -0.14 2.36 -3.47 0.04 0.00 0.00 177.00 176.07 2zho n ASP 26 N 0.08 6.77 -4.28 6.66 4.64 0.10 -4.66 116.55 125.86 2zho n ASP 26 Ca 0.04 -2.96 -0.26 0.00 -1.38 0.00 0.00 54.79 50.24 2zho n ASP 26 Cb 0.49 -1.48 -0.14 0.00 -1.04 0.00 0.00 41.12 38.94 2zho n ASP 26 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 2zho s GLN 27 N 0.69 1.37 0.41 -0.67 -1.52 -1.26 -4.97 119.66 113.71 2zho s GLN 27 Ca 0.53 -1.05 -0.21 0.00 -1.95 0.00 0.00 55.36 52.68 2zho s GLN 27 Cb 0.15 -1.56 -0.14 0.00 -0.22 0.00 0.00 33.01 31.24 2zho s GLN 27 CO -0.06 0.39 0.25 -2.30 -0.25 0.00 0.00 175.29 173.32 2zho n PRO 28 N 1.58 0.20 -1.07 2.91 -0.02 -1.26 -3.07 135.00 134.26 2zho n PRO 28 Ca -0.18 0.07 -0.03 0.00 -2.02 0.00 0.00 63.50 61.35 2zho n PRO 28 Cb 0.53 -1.19 -0.01 0.00 -0.02 0.00 0.00 33.50 32.81 2zho n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2zho n GLY 29 N 2.14 0.48 0.08 -1.23 0.00 -1.26 -4.87 105.19 100.52 2zho n GLY 29 Ca 0.11 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2zho n GLY 29 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2zho h ILE 30 N 0.00 1.30 -0.01 -0.61 5.03 -1.89 -3.14 117.51 118.18 2zho h ILE 30 Ca -0.05 -1.32 0.00 0.00 -0.12 0.00 0.00 64.86 63.38 2zho h ILE 30 Cb 0.55 2.15 -0.00 0.00 -3.03 0.00 0.00 36.82 36.48 2zho h ILE 30 CO 0.08 0.32 0.01 0.00 -0.68 0.00 0.00 178.15 177.88 2zho h ALA 31 N 0.21 1.62 0.08 1.87 0.00 -1.89 -1.94 119.26 119.22 2zho h ALA 31 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2zho h ALA 31 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2zho h ALA 31 CO 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.20 2zho h ALA 32 N 1.98 -0.11 -0.68 0.00 0.00 -1.95 -1.81 119.26 116.70 2zho h ALA 32 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2zho h ALA 32 Cb 0.04 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2zho h ALA 32 CO -0.00 -0.40 0.39 0.87 0.00 0.00 0.00 179.25 180.11 2zho h LYS 33 N -0.43 0.94 0.56 0.00 1.57 -1.33 0.12 116.57 118.01 2zho h LYS 33 Ca -0.01 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2zho h LYS 33 Cb 0.37 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2zho h LYS 33 CO 0.02 0.69 -0.47 0.28 -0.57 0.00 0.00 179.45 179.40 2zho h VAL 34 N 0.93 0.08 0.00 0.50 2.07 -1.42 -2.35 116.25 116.06 2zho h VAL 34 Ca 0.24 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 2zho h VAL 34 Cb 0.01 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2zho h VAL 34 CO -0.04 0.00 -0.12 -0.26 0.02 0.00 0.00 177.57 177.17 2zho h PHE 35 N -1.01 0.00 0.40 1.57 -1.00 -1.20 -2.76 116.94 112.93 2zho h PHE 35 Ca -0.07 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 2zho h PHE 35 Cb 0.85 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.42 2zho h PHE 35 CO -0.20 0.12 -0.19 0.37 -1.61 0.00 0.00 178.31 176.80 2zho h GLN 36 N 0.00 -0.51 0.00 1.51 5.75 -0.44 -2.37 115.11 119.05 2zho h GLN 36 Ca -0.00 0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.50 2zho h GLN 36 Cb 0.37 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 2zho h GLN 36 CO 0.02 -0.29 -0.18 0.00 -2.65 0.00 0.00 178.83 175.72 2zho h ALA 37 N -0.04 1.34 0.00 3.38 0.00 -1.16 -0.44 119.26 122.35 2zho h ALA 37 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2zho h ALA 37 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2zho h ALA 37 CO 0.09 0.23 -0.22 1.28 0.00 0.00 0.00 179.25 180.63 2zho n LEU 38 N -3.80 0.27 -0.04 0.00 4.77 -1.10 -3.72 117.00 113.38 2zho n LEU 38 Ca -0.02 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 56.05 2zho n LEU 38 Cb 0.29 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 2zho n LEU 38 CO 0.33 0.03 -0.49 0.00 -1.33 0.00 0.00 177.39 175.93 2zho h ALA 39 N 2.95 0.25 -0.98 -1.18 0.00 -0.57 -1.69 119.26 118.04 2zho h ALA 39 Ca 0.00 -1.16 0.29 0.00 0.00 0.00 0.00 54.91 54.04 2zho h ALA 39 Cb 0.53 0.60 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 2zho h ALA 39 CO 0.00 0.83 0.13 0.93 0.00 0.00 0.00 179.25 181.13 2zho h GLU 40 N -0.53 0.02 0.00 0.00 4.39 -1.35 0.49 114.58 117.60 2zho h GLU 40 Ca -0.33 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2zho h GLU 40 Cb 1.60 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 2zho h GLU 40 CO -0.04 0.01 -0.30 0.00 -1.16 0.00 0.00 179.01 177.52 2zho h ARG 41 N 0.02 0.00 -4.39 2.33 2.47 -1.70 -3.49 114.38 109.63 2zho h ARG 41 Ca 0.64 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 59.20 2zho h ARG 41 Cb 1.39 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 29.82 2zho h ARG 41 CO -0.88 0.00 -0.50 0.41 0.56 0.00 0.00 179.97 179.56 2zho n GLY 42 N 1.20 -0.26 3.32 0.04 0.00 0.17 -5.06 105.19 104.60 2zho n GLY 42 Ca 0.03 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2zho n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2zho s ILE 43 N -3.23 2.92 0.67 -0.61 1.01 -0.65 -5.04 121.20 116.28 2zho s ILE 43 Ca 0.22 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 2zho s ILE 43 Cb -0.03 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2zho s ILE 43 CO 0.43 0.51 1.22 0.00 0.00 0.00 0.00 174.94 177.10 2zho s ALA 44 N 0.65 2.32 -0.33 9.38 0.00 -1.26 -4.75 121.76 127.77 2zho s ALA 44 Ca -0.07 0.96 0.03 0.00 0.00 0.00 0.00 51.96 52.89 2zho s ALA 44 Cb -0.16 -3.47 0.09 0.00 0.00 0.00 0.00 23.12 19.59 2zho s ALA 44 CO 0.03 -1.57 0.03 0.08 0.00 0.00 0.00 175.76 174.33 2zho s VAL 45 N -1.78 2.15 0.04 0.00 1.01 -1.26 -4.63 120.40 115.94 2zho s VAL 45 Ca 0.76 -2.17 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 2zho s VAL 45 Cb -0.31 -2.55 -0.15 0.00 0.00 0.00 0.00 36.38 33.37 2zho s VAL 45 CO 0.40 -0.52 1.29 -0.78 0.00 0.00 0.00 175.10 175.49 2zho h ASP 46 N 7.67 0.52 -5.08 3.32 -0.00 -1.78 -3.47 116.42 117.59 2zho h ASP 46 Ca -0.07 -0.56 -0.19 0.00 -0.00 0.00 0.00 57.03 56.21 2zho h ASP 46 Cb 1.02 -0.15 -0.15 0.00 -0.00 0.00 0.00 39.33 40.06 2zho h ASP 46 CO 0.51 0.98 -0.67 -0.04 -0.00 0.00 0.00 179.24 180.02 2zho s MET 47 N -4.00 0.87 -0.27 0.28 -1.94 -1.25 -4.99 119.30 108.01 2zho s MET 47 Ca -0.13 -1.39 -0.23 0.00 -1.71 0.00 0.00 55.69 52.23 2zho s MET 47 Cb 0.06 0.07 0.07 0.00 2.01 0.00 0.00 34.83 37.04 2zho s MET 47 CO 0.79 -0.16 0.70 -1.50 -0.01 0.00 0.00 175.02 174.84 2zho s ILE 48 N -3.88 -0.00 -0.03 2.53 -1.16 -1.26 -1.93 121.20 115.47 2zho s ILE 48 Ca 0.18 0.00 -0.03 0.00 -0.51 0.00 0.00 60.65 60.29 2zho s ILE 48 Cb 0.07 -0.98 0.01 0.00 0.61 0.00 0.00 42.46 42.17 2zho s ILE 48 CO -0.02 0.00 0.09 -0.63 -2.81 0.00 0.00 174.94 171.57 2zho s ILE 49 N 0.60 0.02 0.00 2.00 -1.09 -0.27 -4.99 121.20 117.47 2zho s ILE 49 Ca -0.02 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 2zho s ILE 49 Cb -0.05 -0.18 0.00 0.00 -1.58 0.00 0.00 42.46 40.65 2zho s ILE 49 CO -0.03 -0.09 0.00 0.00 -1.23 0.00 0.00 174.94 173.59 2zho n GLN 50 N 2.72 0.00 0.00 2.79 1.13 -1.26 -1.30 117.38 121.46 2zho n GLN 50 Ca -0.15 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.91 2zho n GLN 50 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.94 2zho n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2zho n GLY 51 N 5.00 -0.02 2.60 1.08 0.00 -1.25 -4.30 105.19 108.29 2zho n GLY 51 Ca 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 2zho n GLY 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2zho n VAL 52 N -1.26 -0.33 0.00 1.61 3.14 -1.26 -4.96 118.33 115.26 2zho n VAL 52 Ca 0.00 -2.08 0.00 0.00 -2.96 0.00 0.00 64.34 59.30 2zho n VAL 52 Cb 0.00 0.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 2zho n VAL 52 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2zho n PRO 53 N 2.26 0.00 0.01 1.45 -0.02 -1.26 -5.18 135.00 132.26 2zho n PRO 53 Ca 0.18 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.64 2zho n PRO 53 Cb 0.56 -0.05 -0.01 0.00 -0.02 0.00 0.00 33.50 33.99 2zho n PRO 53 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2zho n PRO 57 N 0.00 0.04 0.11 0.52 -0.02 -1.26 -5.12 135.00 129.28 2zho n PRO 57 Ca 0.00 0.02 0.06 0.00 -2.02 0.00 0.00 63.50 61.56 2zho n PRO 57 Cb 0.00 -0.58 0.01 0.00 -0.02 0.00 0.00 33.50 32.92 2zho n PRO 57 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2zho h SER 58 N -0.08 0.00 -2.47 2.55 4.64 -1.97 -3.43 113.55 112.79 2zho h SER 58 Ca -0.03 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.76 2zho h SER 58 Cb 0.57 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.62 2zho h SER 58 CO -0.02 0.30 -0.50 -0.60 -0.87 0.00 0.00 176.83 175.14 2zho s ARG 59 N -3.11 3.17 0.36 4.77 3.00 -1.26 -0.72 118.95 125.16 2zho s ARG 59 Ca 0.01 -0.80 -0.06 0.00 -1.00 0.00 0.00 55.73 53.88 2zho s ARG 59 Cb 0.08 -2.77 0.02 0.00 0.00 0.00 0.00 34.95 32.28 2zho s ARG 59 CO 0.76 0.47 0.58 -1.14 0.00 0.00 0.00 175.30 175.97 2zho s GLN 60 N -3.44 2.03 -0.20 5.12 0.74 0.34 -4.54 119.66 119.72 2zho s GLN 60 Ca 0.33 -1.67 -0.24 0.00 0.05 0.00 0.00 55.36 53.83 2zho s GLN 60 Cb -0.10 0.50 0.06 0.00 1.10 0.00 0.00 33.01 34.58 2zho s GLN 60 CO 0.26 -0.88 0.64 1.14 -0.55 0.00 0.00 175.29 175.90 2zho s GLN 61 N -2.79 0.80 0.42 1.67 0.00 -1.26 -1.95 119.66 116.55 2zho s GLN 61 Ca 0.26 0.73 0.04 0.00 -0.00 0.00 0.00 55.36 56.39 2zho s GLN 61 Cb -0.02 0.39 -0.02 0.00 0.00 0.00 0.00 33.01 33.35 2zho s GLN 61 CO 0.18 -0.14 0.12 -1.64 0.00 0.00 0.00 175.29 173.81 2zho s MET 62 N -0.01 1.96 -0.30 9.60 -1.94 -0.62 -3.89 119.30 124.10 2zho s MET 62 Ca -0.03 -2.20 -0.12 0.00 -1.71 0.00 0.00 55.69 51.64 2zho s MET 62 Cb -0.04 -0.71 0.18 0.00 2.01 0.00 0.00 34.83 36.27 2zho s MET 62 CO 0.03 -0.46 0.97 0.00 -0.01 0.00 0.00 175.02 175.55 2zho s ALA 63 N -3.17 -3.13 0.22 3.03 0.00 -0.42 -2.10 121.76 116.20 2zho s ALA 63 Ca 0.22 1.61 0.07 0.00 0.00 0.00 0.00 51.96 53.86 2zho s ALA 63 Cb 0.02 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 2zho s ALA 63 CO 0.13 -1.35 -0.11 -0.59 0.00 0.00 0.00 175.76 173.85 2zho s PHE 64 N 2.84 1.73 -0.08 0.00 -0.12 -1.17 -1.11 117.98 120.06 2zho s PHE 64 Ca 0.02 -0.65 0.04 0.00 -0.05 0.00 0.00 56.93 56.30 2zho s PHE 64 Cb -0.10 -0.87 -0.01 0.00 -0.63 0.00 0.00 43.02 41.40 2zho s PHE 64 CO -0.14 0.28 -0.22 0.95 -0.05 0.00 0.00 175.22 176.04 2zho s THR 65 N -3.05 2.27 0.44 -4.49 -4.23 -0.81 -1.12 115.64 104.64 2zho s THR 65 Ca 0.24 -0.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 2zho s THR 65 Cb 0.01 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 2zho s THR 65 CO 0.08 0.56 0.12 0.68 -0.54 0.00 0.00 174.62 175.52 2zho s VAL 66 N 0.04 0.61 0.47 2.29 -7.23 -0.64 -1.93 120.40 114.01 2zho s VAL 66 Ca -0.09 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.86 2zho s VAL 66 Cb -0.15 -2.27 -0.07 0.00 0.56 0.00 0.00 36.38 34.45 2zho s VAL 66 CO 0.06 0.00 1.12 -1.59 -0.31 0.00 0.00 175.10 174.38 2zho s LYS 67 N -3.70 3.74 0.02 4.82 0.00 -1.26 -1.48 119.74 121.88 2zho s LYS 67 Ca 0.20 1.64 -0.08 0.00 0.00 0.00 0.00 55.97 57.72 2zho s LYS 67 Cb 0.02 -2.30 -0.04 0.00 0.00 0.00 0.00 37.83 35.51 2zho s LYS 67 CO 0.13 -0.53 1.13 0.87 0.00 0.00 0.00 175.35 176.95 2zho h LYS 68 N 1.87 -0.21 -0.48 1.78 1.79 -1.91 0.67 116.57 120.09 2zho h LYS 68 Ca -0.49 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2zho h LYS 68 Cb 1.24 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2zho h LYS 68 CO 0.60 -0.14 0.00 -0.40 -1.08 0.00 0.00 179.45 178.43 2zho n ASP 69 N -3.06 0.48 0.00 0.86 3.85 -1.26 -0.28 116.55 117.14 2zho n ASP 69 Ca -0.03 -0.98 0.00 0.00 -0.71 0.00 0.00 54.79 53.07 2zho n ASP 69 Cb 0.10 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 2zho n ASP 69 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2zho n PHE 70 N 0.24 0.00 0.05 2.11 3.01 -0.66 -4.83 117.46 117.38 2zho n PHE 70 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.47 2zho n PHE 70 Cb 0.12 0.00 0.34 0.00 -0.01 0.00 0.00 39.48 39.93 2zho n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2zho h ALA 71 N 0.00 1.43 0.62 4.37 0.00 0.34 -1.81 119.26 124.22 2zho h ALA 71 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2zho h ALA 71 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.68 2zho h ALA 71 CO 0.00 0.40 -0.30 1.96 0.00 0.00 0.00 179.25 181.31 2zho h GLN 72 N 0.38 -0.81 -0.61 0.00 1.08 -1.85 -1.63 115.11 111.67 2zho h GLN 72 Ca 0.08 0.06 0.18 0.00 -1.45 0.00 0.00 58.65 57.51 2zho h GLN 72 Cb 0.35 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 2zho h GLN 72 CO 0.02 -0.54 0.55 1.49 -0.95 0.00 0.00 178.83 179.40 2zho h GLU 73 N -1.06 0.00 0.21 1.46 4.81 -1.90 -1.54 114.58 116.57 2zho h GLU 73 Ca -0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2zho h GLU 73 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2zho h GLU 73 CO 0.14 0.00 -0.10 0.00 -0.73 0.00 0.00 179.01 178.32 2zho h ALA 74 N 1.47 -0.37 -0.22 2.92 0.00 -1.19 0.20 119.26 122.08 2zho h ALA 74 Ca 0.29 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2zho h ALA 74 Cb 1.39 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2zho h ALA 74 CO -0.00 -0.35 0.23 1.37 0.00 0.00 0.00 179.25 180.50 2zho h LEU 75 N -0.78 0.00 0.08 0.00 -0.00 -1.12 0.70 115.31 114.18 2zho h LEU 75 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2zho h LEU 75 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2zho h LEU 75 CO 0.05 0.00 -0.04 -0.08 -0.00 0.00 0.00 178.44 178.37 2zho h GLU 76 N 0.00 -0.10 0.00 0.17 4.22 -1.34 -3.30 114.58 114.23 2zho h GLU 76 Ca 0.10 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 2zho h GLU 76 Cb 0.57 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2zho h GLU 76 CO -0.00 0.39 -0.04 0.00 -2.18 0.00 0.00 179.01 177.18 2zho h ALA 77 N 0.18 1.31 0.00 2.92 0.00 0.12 -2.36 119.26 121.43 2zho h ALA 77 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2zho h ALA 77 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2zho h ALA 77 CO 0.02 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.59 2zho n LEU 78 N -3.58 0.16 -4.05 0.00 7.99 -0.33 -4.66 117.00 112.53 2zho n LEU 78 Ca -0.02 -0.08 -0.27 0.00 -0.01 0.00 0.00 56.01 55.62 2zho n LEU 78 Cb 0.14 -0.08 -0.17 0.00 -0.11 0.00 0.00 43.42 43.20 2zho n LEU 78 CO 0.27 0.04 -0.49 -0.70 -1.51 0.00 0.00 177.39 175.00 2zho s GLU 79 N -1.58 2.05 0.00 3.23 2.12 -0.89 -0.86 118.70 122.78 2zho s GLU 79 Ca 0.00 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.82 2zho s GLU 79 Cb 0.00 -1.71 0.00 0.00 0.26 0.00 0.00 34.13 32.68 2zho s GLU 79 CO 0.00 -0.01 0.10 -2.30 -0.54 0.00 0.00 175.26 172.51 2zho n PRO 80 N 4.01 0.00 0.13 4.30 -0.02 -1.26 -5.03 135.00 137.12 2zho n PRO 80 Ca -0.20 0.10 0.12 0.00 -2.02 0.00 0.00 63.50 61.50 2zho n PRO 80 Cb 0.52 -0.41 0.09 0.00 -0.02 0.00 0.00 33.50 33.68 2zho n PRO 80 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2zho h VAL 81 N 0.00 0.00 -0.92 -1.45 -1.51 -1.29 -2.91 116.25 108.16 2zho h VAL 81 Ca 0.00 -0.89 0.20 0.00 -1.23 0.00 0.00 66.70 64.78 2zho h VAL 81 Cb 0.00 1.56 -0.07 0.00 -2.13 0.00 0.00 31.29 30.65 2zho h VAL 81 CO 0.00 0.00 0.60 -0.07 -1.23 0.00 0.00 177.57 176.87 2zho h LEU 82 N 0.00 0.49 -0.61 4.19 4.07 -1.84 0.92 115.31 122.53 2zho h LEU 82 Ca 0.00 0.05 0.06 0.00 0.08 0.00 0.00 57.88 58.07 2zho h LEU 82 Cb 0.94 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.59 2zho h LEU 82 CO 0.00 0.19 0.31 0.00 -1.08 0.00 0.00 178.44 177.87 2zho h ALA 83 N 1.61 0.81 -0.00 1.53 0.00 -1.81 1.65 119.26 123.05 2zho h ALA 83 Ca 0.49 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.24 2zho h ALA 83 Cb 1.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2zho h ALA 83 CO -0.21 -0.04 -0.86 1.49 0.00 0.00 0.00 179.25 179.63 2zho h GLU 84 N 0.58 0.21 0.00 0.00 4.81 -1.49 -3.41 114.58 115.28 2zho h GLU 84 Ca 0.28 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2zho h GLU 84 Cb 0.21 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2zho h GLU 84 CO -0.20 0.95 -0.42 0.82 -0.73 0.00 0.00 179.01 179.42 2zho h ILE 85 N 0.12 0.00 0.00 2.32 1.08 0.17 -3.52 117.51 117.68 2zho h ILE 85 Ca -0.04 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2zho h ILE 85 Cb 1.48 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 2zho h ILE 85 CO 0.13 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.20 2zho n GLY 86 N 1.64 4.12 0.26 5.37 0.00 0.56 -4.63 105.19 112.51 2zho n GLY 86 Ca -0.06 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.44 2zho n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zho n GLY 87 N -1.66 -1.41 3.07 -0.02 0.00 -0.77 -4.36 105.19 100.03 2zho n GLY 87 Ca 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 2zho n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2zho s GLU 88 N -1.26 0.55 0.75 1.61 1.03 -0.60 -4.76 118.70 116.01 2zho s GLU 88 Ca 0.00 -1.05 -0.11 0.00 0.03 0.00 0.00 54.97 53.83 2zho s GLU 88 Cb 0.00 0.19 0.04 0.00 -0.80 0.00 0.00 34.13 33.56 2zho s GLU 88 CO 0.00 -0.10 1.10 0.00 -1.33 0.00 0.00 175.26 174.93 2zho s ALA 89 N -3.30 2.60 -0.27 -0.84 0.00 -1.26 -2.15 121.76 116.54 2zho s ALA 89 Ca 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 2zho s ALA 89 Cb 0.03 -3.06 0.15 0.00 0.00 0.00 0.00 23.12 20.24 2zho s ALA 89 CO -0.08 -1.42 0.37 0.42 0.00 0.00 0.00 175.76 175.06 2zho s ILE 90 N -3.27 -0.58 0.41 0.00 1.01 -0.71 -4.92 121.20 113.15 2zho s ILE 90 Ca 0.59 -0.25 -0.24 0.00 0.00 0.00 0.00 60.65 60.75 2zho s ILE 90 Cb -0.13 -0.92 -0.08 0.00 0.01 0.00 0.00 42.46 41.34 2zho s ILE 90 CO 0.53 -0.26 1.14 -0.22 0.00 0.00 0.00 174.94 176.12 2zho s LEU 91 N 2.51 4.13 0.10 2.97 2.96 -1.26 -2.53 118.68 127.56 2zho s LEU 91 Ca 0.11 2.25 0.00 0.00 -0.22 0.00 0.00 54.13 56.27 2zho s LEU 91 Cb -0.14 -4.12 0.00 0.00 0.50 0.00 0.00 46.19 42.43 2zho s LEU 91 CO -0.25 -0.69 0.00 -2.11 -1.32 0.00 0.00 176.35 171.98 2zho n ARG 92 N -0.10 -0.58 0.00 1.98 1.85 -1.01 -4.99 116.66 113.80 2zho n ARG 92 Ca 0.05 0.45 0.00 0.00 -1.00 0.00 0.00 57.85 57.35 2zho n ARG 92 Cb 0.48 -0.69 0.00 0.00 -1.05 0.00 0.00 32.46 31.19 2zho n ARG 92 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2zho n PRO 93 N -2.73 0.00 -3.13 2.89 -0.02 -1.26 -4.92 135.00 125.83 2zho n PRO 93 Ca -0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.26 2zho n PRO 93 Cb 0.12 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.61 2zho n PRO 93 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2zho n ASP 94 N 0.00 -4.45 -4.17 2.55 8.00 -1.26 -4.74 116.55 112.47 2zho n ASP 94 Ca 0.00 -0.28 -0.25 0.00 0.71 0.00 0.00 54.79 54.98 2zho n ASP 94 Cb 0.00 -3.66 -0.15 0.00 -0.02 0.00 0.00 41.12 37.28 2zho n ASP 94 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2zho s ILE 95 N -2.96 1.40 0.16 0.53 -5.25 -1.26 0.30 121.20 114.11 2zho s ILE 95 Ca 0.31 -0.80 0.07 0.00 -0.99 0.00 0.00 60.65 59.24 2zho s ILE 95 Cb -0.16 -1.17 -0.04 0.00 2.95 0.00 0.00 42.46 44.04 2zho s ILE 95 CO 0.39 0.36 -0.00 0.00 -1.79 0.00 0.00 174.94 173.89 2zho s ALA 96 N -0.46 3.21 -0.34 2.27 0.00 0.20 -4.56 121.76 122.08 2zho s ALA 96 Ca 0.07 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.72 2zho s ALA 96 Cb -0.07 -1.02 0.09 0.00 0.00 0.00 0.00 23.12 22.12 2zho s ALA 96 CO -0.00 0.52 0.06 0.21 0.00 0.00 0.00 175.76 176.54 2zho s LYS 97 N -2.82 1.77 -0.29 0.00 2.20 -1.26 -1.66 119.74 117.69 2zho s LYS 97 Ca 0.27 -1.75 -0.18 0.00 -0.36 0.00 0.00 55.97 53.95 2zho s LYS 97 Cb -0.10 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.96 2zho s LYS 97 CO 0.18 -0.89 0.54 0.08 -0.36 0.00 0.00 175.35 174.90 2zho s VAL 98 N 1.01 5.03 0.12 4.02 1.01 -0.53 -4.31 120.40 126.75 2zho s VAL 98 Ca 0.06 0.75 0.07 0.00 0.00 0.00 0.00 61.98 62.86 2zho s VAL 98 Cb -0.20 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2zho s VAL 98 CO -0.06 -0.03 -0.08 -0.44 0.00 0.00 0.00 175.10 174.49 2zho s SER 99 N 1.62 4.48 0.11 3.32 0.01 0.64 -0.11 113.70 123.77 2zho s SER 99 Ca 0.21 -0.39 0.09 0.00 1.31 0.00 0.00 55.95 57.17 2zho s SER 99 Cb -0.15 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.16 2zho s SER 99 CO 0.11 0.16 -0.22 0.27 0.41 0.00 0.00 173.24 173.97 2zho s ILE 100 N -1.32 1.80 0.13 1.44 -4.36 0.25 -1.72 121.20 117.43 2zho s ILE 100 Ca 0.23 -1.59 0.04 0.00 -0.26 0.00 0.00 60.65 59.07 2zho s ILE 100 Cb -0.11 -1.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 2zho s ILE 100 CO 0.15 -0.04 -0.10 0.68 0.24 0.00 0.00 174.94 175.86 2zho s VAL 101 N -1.17 1.14 -5.00 8.37 -7.23 -1.12 -3.06 120.40 112.32 2zho s VAL 101 Ca 0.08 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2zho s VAL 101 Cb -0.10 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.12 2zho s VAL 101 CO 0.05 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 2zho n GLY 102 N 0.03 -0.14 3.32 2.32 0.00 -1.21 -1.62 105.19 107.88 2zho n GLY 102 Ca -0.12 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 2zho n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zho s VAL 103 N -3.84 3.15 -0.85 1.61 0.11 -0.10 -4.59 120.40 115.89 2zho s VAL 103 Ca 0.00 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 58.42 2zho s VAL 103 Cb 0.00 -2.38 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 2zho s VAL 103 CO 0.00 0.47 0.66 0.61 -3.33 0.00 0.00 175.10 173.52 2zho n GLY 104 N 4.27 -1.24 0.11 6.54 0.00 -1.14 -4.78 105.19 108.95 2zho n GLY 104 Ca -0.18 0.54 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 2zho n GLY 104 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2zho h LEU 105 N -0.31 0.23 -1.86 0.99 3.38 -1.29 -3.16 115.31 113.30 2zho h LEU 105 Ca -0.43 -0.79 -0.03 0.00 0.09 0.00 0.00 57.88 56.72 2zho h LEU 105 Cb 1.26 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2zho h LEU 105 CO 0.36 1.50 -0.13 0.00 0.09 0.00 0.00 178.44 180.27 2zho h ALA 106 N -0.15 1.28 0.00 1.53 0.00 -1.76 -3.23 119.26 116.93 2zho h ALA 106 Ca -0.27 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 2zho h ALA 106 Cb 1.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 2zho h ALA 106 CO -0.01 0.16 -1.11 0.77 0.00 0.00 0.00 179.25 179.05 2zho h SER 107 N 0.00 0.00 -3.72 0.00 0.02 -1.90 -3.37 113.55 104.58 2zho h SER 107 Ca -0.00 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 60.17 2zho h SER 107 Cb 0.36 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.63 2zho h SER 107 CO 0.02 0.60 0.00 -0.89 -1.14 0.00 0.00 176.83 175.42 2zho s THR 108 N -2.91 5.38 -1.08 -2.27 2.01 -1.19 -4.95 115.64 110.64 2zho s THR 108 Ca -0.01 -2.34 0.08 0.00 0.31 0.00 0.00 61.69 59.73 2zho s THR 108 Cb 0.08 -4.36 0.08 0.00 0.01 0.00 0.00 72.50 68.32 2zho s THR 108 CO 0.79 -0.99 1.23 -0.81 -0.69 0.00 0.00 174.62 174.16 2zho n PRO 109 N 4.15 0.02 0.12 4.92 -0.04 -1.26 -1.29 135.00 141.62 2zho n PRO 109 Ca 0.09 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 2zho n PRO 109 Cb 0.45 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.87 2zho n PRO 109 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2zho n GLU 110 N -1.46 0.22 0.18 0.54 4.71 -1.26 -3.19 120.64 120.38 2zho n GLU 110 Ca 0.02 0.32 -0.09 0.00 -0.01 0.00 0.00 57.16 57.40 2zho n GLU 110 Cb 0.09 -1.83 -0.05 0.00 -1.01 0.00 0.00 31.44 28.64 2zho n GLU 110 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2zho h VAL 111 N 0.00 0.11 -0.17 2.62 2.07 -1.47 -2.48 116.25 116.93 2zho h VAL 111 Ca 0.00 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 66.93 2zho h VAL 111 Cb 0.53 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2zho h VAL 111 CO 0.00 0.03 0.12 1.55 0.02 0.00 0.00 177.57 179.29 2zho h PRO 112 N -1.11 0.03 -0.37 1.57 0.13 -1.75 -1.59 132.00 128.91 2zho h PRO 112 Ca -0.06 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2zho h PRO 112 Cb 0.46 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 2zho h PRO 112 CO 0.09 0.02 0.22 0.00 -0.23 0.00 0.00 178.00 178.10 2zho h ALA 113 N 1.91 0.47 -0.55 -0.56 0.00 -1.61 -2.57 119.26 116.36 2zho h ALA 113 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2zho h ALA 113 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2zho h ALA 113 CO -0.00 -0.03 -0.06 0.87 0.00 0.00 0.00 179.25 180.03 2zho h LYS 114 N 0.48 1.01 0.61 0.00 1.57 -0.87 -2.70 116.57 116.68 2zho h LYS 114 Ca 0.13 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 2zho h LYS 114 Cb 0.01 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.26 2zho h LYS 114 CO -0.02 1.04 -0.29 1.98 -0.57 0.00 0.00 179.45 181.58 2zho h MET 115 N 0.89 -0.79 -0.04 3.15 4.05 -1.16 -0.90 114.93 120.13 2zho h MET 115 Ca 0.15 0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.52 2zho h MET 115 Cb 0.62 0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 2zho h MET 115 CO 0.04 -0.50 -0.44 0.74 0.23 0.00 0.00 176.91 176.98 2zho h PHE 116 N -0.89 0.11 -0.45 1.39 0.04 -1.56 0.17 116.94 115.76 2zho h PHE 116 Ca -0.08 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.62 2zho h PHE 116 Cb 0.65 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 2zho h PHE 116 CO -0.02 0.53 0.13 0.37 -0.60 0.00 0.00 178.31 178.72 2zho h GLN 117 N 0.08 0.71 -0.56 1.51 4.15 -1.42 0.25 115.11 119.83 2zho h GLN 117 Ca 0.00 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 2zho h GLN 117 Cb 0.82 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 2zho h GLN 117 CO 0.06 0.69 0.20 0.00 -1.93 0.00 0.00 178.83 177.85 2zho h ALA 118 N 0.98 0.73 -0.83 3.38 0.00 -0.89 -2.11 119.26 120.53 2zho h ALA 118 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2zho h ALA 118 Cb 0.29 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2zho h ALA 118 CO -0.00 0.36 0.47 0.28 0.00 0.00 0.00 179.25 180.36 2zho h VAL 119 N 0.77 1.24 0.00 0.00 2.07 -0.76 -2.81 116.25 116.76 2zho h VAL 119 Ca 0.18 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 2zho h VAL 119 Cb 0.24 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2zho h VAL 119 CO -0.01 0.26 -0.16 0.00 0.02 0.00 0.00 177.57 177.68 2zho h ALA 120 N 1.37 0.95 -0.82 1.67 0.00 -0.32 -2.85 119.26 119.25 2zho h ALA 120 Ca 0.30 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.27 2zho h ALA 120 Cb -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2zho h ALA 120 CO -0.05 0.20 0.57 0.77 0.00 0.00 0.00 179.25 180.74 2zho h SER 121 N 0.00 0.17 0.35 0.00 0.02 -1.10 1.00 113.55 113.98 2zho h SER 121 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2zho h SER 121 Cb 0.88 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2zho h SER 121 CO 0.02 0.07 -0.39 0.35 -1.14 0.00 0.00 176.83 175.75 2zho n THR 122 N -4.39 0.00 -1.68 -2.27 -2.24 -1.08 -4.94 114.28 97.68 2zho n THR 122 Ca 0.17 -0.07 -0.07 0.00 -2.27 0.00 0.00 64.05 61.81 2zho n THR 122 Cb 0.77 0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 2zho n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2zho n GLY 123 N 1.42 0.50 3.70 3.38 0.00 0.34 -5.01 105.19 109.52 2zho n GLY 123 Ca 0.09 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2zho n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zho s ALA 124 N -2.32 3.33 -0.42 4.61 0.00 -1.24 -5.00 121.76 120.73 2zho s ALA 124 Ca 0.00 0.52 -0.29 0.00 0.00 0.00 0.00 51.96 52.20 2zho s ALA 124 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2zho s ALA 124 CO 0.00 -0.48 1.49 1.21 0.00 0.00 0.00 175.76 177.98 2zho s ASN 125 N 1.12 6.21 -0.33 0.00 2.47 -1.26 -4.61 114.94 118.54 2zho s ASN 125 Ca 0.52 0.85 -0.28 0.00 0.42 0.00 0.00 52.86 54.36 2zho s ASN 125 Cb -0.21 -2.54 -0.02 0.00 -1.45 0.00 0.00 41.25 37.03 2zho s ASN 125 CO 0.23 -1.53 1.75 -0.63 -3.72 0.00 0.00 177.10 173.20 2zho s ILE 126 N 5.84 3.53 -0.02 -5.21 1.09 -1.26 -4.22 121.20 120.94 2zho s ILE 126 Ca 0.64 0.54 0.10 0.00 -1.10 0.00 0.00 60.65 60.83 2zho s ILE 126 Cb -0.15 -3.70 -0.16 0.00 -1.06 0.00 0.00 42.46 37.39 2zho s ILE 126 CO 0.32 -0.44 0.21 -1.84 -0.10 0.00 0.00 174.94 173.09 2zho n GLU 127 N 8.36 0.54 -4.09 2.79 0.28 0.23 -4.98 120.64 123.76 2zho n GLU 127 Ca 0.22 -0.09 -0.14 0.00 -0.16 0.00 0.00 57.16 57.00 2zho n GLU 127 Cb 0.47 -1.25 -0.12 0.00 1.43 0.00 0.00 31.44 31.96 2zho n GLU 127 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2zho s MET 128 N -2.68 0.48 -0.05 3.44 -1.94 -1.14 -4.97 119.30 112.43 2zho s MET 128 Ca -0.04 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.40 2zho s MET 128 Cb 0.06 -0.32 0.02 0.00 2.01 0.00 0.00 34.83 36.61 2zho s MET 128 CO 0.43 0.07 -0.04 0.42 -0.01 0.00 0.00 175.02 175.89 2zho s ILE 129 N -0.93 0.58 -0.13 2.53 1.01 -1.26 -1.32 121.20 121.68 2zho s ILE 129 Ca -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.48 2zho s ILE 129 Cb -0.07 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.81 2zho s ILE 129 CO 0.00 0.25 -0.13 0.00 0.00 0.00 0.00 174.94 175.06 2zho s ALA 130 N 1.10 1.68 -0.06 9.38 0.00 -1.07 -5.03 121.76 127.76 2zho s ALA 130 Ca -0.08 -0.76 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2zho s ALA 130 Cb -0.14 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 2zho s ALA 130 CO -0.01 -0.29 -0.22 -0.08 0.00 0.00 0.00 175.76 175.17 2zho s THR 131 N 1.37 1.81 0.12 0.00 -1.32 -1.26 -1.46 115.64 114.90 2zho s THR 131 Ca 0.01 -0.92 -0.08 0.00 -1.21 0.00 0.00 61.69 59.49 2zho s THR 131 Cb -0.13 -1.55 -0.01 0.00 -1.51 0.00 0.00 72.50 69.30 2zho s THR 131 CO -0.07 0.51 0.22 -0.94 -2.21 0.00 0.00 174.62 172.12 2zho s SER 132 N 0.02 0.11 0.46 8.08 1.04 -0.82 -4.94 113.70 117.64 2zho s SER 132 Ca -0.06 -0.77 0.31 0.00 0.48 0.00 0.00 55.95 55.90 2zho s SER 132 Cb -0.14 0.37 1.42 0.00 0.10 0.00 0.00 66.02 67.77 2zho s SER 132 CO 0.04 -0.79 1.67 1.05 0.98 0.00 0.00 173.24 176.19 2zho h GLU 133 N 2.68 0.12 0.00 4.02 9.09 -1.97 -2.73 114.58 125.79 2zho h GLU 133 Ca -0.33 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.05 2zho h GLU 133 Cb 1.21 -0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 28.28 2zho h GLU 133 CO 0.53 0.08 -1.11 1.55 0.05 0.00 0.00 179.01 180.12 2zho n VAL 134 N -4.51 0.07 -3.89 -1.06 3.14 -1.26 -0.96 118.33 109.85 2zho n VAL 134 Ca 0.34 -0.06 -0.30 0.00 -2.96 0.00 0.00 64.34 61.36 2zho n VAL 134 Cb 1.37 -0.30 -0.14 0.00 -1.06 0.00 0.00 33.84 33.71 2zho n VAL 134 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2zho s ARG 135 N -2.09 1.54 -0.20 1.45 3.52 -1.03 -3.34 118.95 118.81 2zho s ARG 135 Ca -0.01 -2.09 -0.05 0.00 -0.13 0.00 0.00 55.73 53.45 2zho s ARG 135 Cb 0.01 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.46 2zho s ARG 135 CO 0.08 -1.06 -0.00 -1.50 -0.81 0.00 0.00 175.30 172.01 2zho s ILE 136 N 0.41 3.97 -0.14 4.11 2.07 -1.17 -1.95 121.20 128.50 2zho s ILE 136 Ca 0.15 -0.31 -0.08 0.00 -1.41 0.00 0.00 60.65 58.99 2zho s ILE 136 Cb -0.23 -2.79 0.05 0.00 0.13 0.00 0.00 42.46 39.62 2zho s ILE 136 CO -0.05 0.44 0.33 -0.94 -1.91 0.00 0.00 174.94 172.81 2zho s SER 137 N 0.92 -0.39 0.23 4.50 1.04 -0.53 -0.58 113.70 118.88 2zho s SER 137 Ca 0.01 0.71 0.05 0.00 0.48 0.00 0.00 55.95 57.20 2zho s SER 137 Cb -0.14 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 2zho s SER 137 CO 0.02 -0.17 0.33 0.68 0.98 0.00 0.00 173.24 175.08 2zho s VAL 138 N 1.12 5.14 -0.18 5.02 -7.23 0.84 -2.60 120.40 122.51 2zho s VAL 138 Ca -0.08 -1.02 -0.02 0.00 -1.81 0.00 0.00 61.98 59.05 2zho s VAL 138 Cb -0.08 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.07 2zho s VAL 138 CO -0.09 -0.31 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.69 2zho s ILE 139 N -1.97 3.33 0.18 -0.62 -1.09 -0.44 -1.45 121.20 119.15 2zho s ILE 139 Ca 0.34 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 58.24 2zho s ILE 139 Cb -0.09 -2.47 -0.05 0.00 -1.58 0.00 0.00 42.46 38.28 2zho s ILE 139 CO 0.28 0.47 0.01 0.27 -1.23 0.00 0.00 174.94 174.75 2zho s ILE 140 N 0.89 0.66 0.26 2.92 -0.00 -0.66 -0.60 121.20 124.67 2zho s ILE 140 Ca -0.02 -1.98 -0.30 0.00 -0.00 0.00 0.00 60.65 58.35 2zho s ILE 140 Cb -0.15 -2.18 -0.09 0.00 -0.00 0.00 0.00 42.46 40.04 2zho s ILE 140 CO 0.01 -0.41 1.04 -2.84 -0.00 0.00 0.00 174.94 172.73 2zho s PRO 141 N -3.93 4.72 0.35 0.37 0.02 -1.26 0.62 135.00 135.89 2zho s PRO 141 Ca 0.26 1.69 0.18 0.00 0.02 0.00 0.00 61.00 63.14 2zho s PRO 141 Cb 0.06 -3.23 1.23 0.00 0.02 0.00 0.00 34.50 32.58 2zho s PRO 141 CO 0.05 0.32 1.54 0.00 -0.33 0.00 0.00 177.00 178.58 2zho n ALA 142 N 1.37 0.93 0.27 -1.55 0.00 0.15 -1.54 120.51 120.13 2zho n ALA 142 Ca -0.01 1.01 0.02 0.00 0.00 0.00 0.00 53.44 54.45 2zho n ALA 142 Cb 0.46 -0.96 0.11 0.00 0.00 0.00 0.00 19.45 19.06 2zho n ALA 142 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2zho n GLU 143 N -5.25 0.13 -0.00 0.00 0.00 -1.26 -0.84 120.64 113.41 2zho n GLU 143 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.51 2zho n GLU 143 Cb 1.18 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 31.18 2zho n GLU 143 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2zho n TYR 144 N -0.94 0.00 0.05 -1.84 4.01 -0.59 -4.90 117.16 112.95 2zho n TYR 144 Ca 0.03 -0.28 -0.03 0.00 -0.16 0.00 0.00 57.90 57.46 2zho n TYR 144 Cb 0.01 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 2zho n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2zho h ALA 145 N 0.02 -0.80 -0.37 -0.72 0.00 -1.16 0.15 119.26 116.38 2zho h ALA 145 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2zho h ALA 145 Cb 0.28 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2zho h ALA 145 CO 0.00 -0.81 0.22 0.93 0.00 0.00 0.00 179.25 179.59 2zho h GLU 146 N -0.18 0.43 -0.00 0.00 3.07 -1.91 -0.56 114.58 115.43 2zho h GLU 146 Ca -0.01 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2zho h GLU 146 Cb 0.15 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2zho h GLU 146 CO -0.02 0.28 -0.12 0.00 -1.40 0.00 0.00 179.01 177.76 2zho h ALA 147 N 1.17 1.80 0.02 3.43 0.00 -1.90 -2.70 119.26 121.08 2zho h ALA 147 Ca 0.15 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2zho h ALA 147 Cb 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2zho h ALA 147 CO -0.07 0.15 -0.28 0.00 0.00 0.00 0.00 179.25 179.05 2zho h ALA 148 N 1.88 0.01 -0.25 0.00 0.00 0.16 -3.23 119.26 117.83 2zho h ALA 148 Ca -0.00 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.47 2zho h ALA 148 Cb 0.21 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2zho h ALA 148 CO 0.02 0.11 -0.20 1.25 0.00 0.00 0.00 179.25 180.42 2zho h LEU 149 N -0.58 -0.66 -2.38 0.00 6.46 -0.95 -0.90 115.31 116.30 2zho h LEU 149 Ca -0.04 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2zho h LEU 149 Cb 1.09 0.32 -0.00 0.00 -0.73 0.00 0.00 40.66 41.34 2zho h LEU 149 CO 0.05 -0.24 -0.03 0.03 -0.62 0.00 0.00 178.44 177.63 2zho h ARG 150 N -0.20 0.00 0.10 1.25 3.08 -1.63 0.23 114.38 117.22 2zho h ARG 150 Ca 0.14 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.91 2zho h ARG 150 Cb 0.41 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.48 2zho h ARG 150 CO -0.37 0.03 -1.19 0.00 -1.07 0.00 0.00 179.97 177.37 2zho h ALA 151 N 1.97 0.09 0.10 0.04 0.00 -1.21 -2.62 119.26 117.63 2zho h ALA 151 Ca -0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 54.91 53.95 2zho h ALA 151 Cb 0.16 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.04 2zho h ALA 151 CO 0.00 0.77 -0.77 0.28 0.00 0.00 0.00 179.25 179.54 2zho h VAL 152 N 0.22 1.48 -0.92 0.00 2.07 -0.40 -0.92 116.25 117.79 2zho h VAL 152 Ca -0.16 -2.40 0.18 0.00 0.82 0.00 0.00 66.70 65.14 2zho h VAL 152 Cb 1.86 3.01 -0.11 0.00 -1.52 0.00 0.00 31.29 34.54 2zho h VAL 152 CO 0.22 0.69 0.49 -0.74 0.02 0.00 0.00 177.57 178.25 2zho h HIS 153 N -0.28 0.86 0.00 1.57 6.17 -0.73 0.23 115.15 122.98 2zho h HIS 153 Ca -0.12 0.04 0.00 0.00 0.71 0.00 0.00 60.37 60.99 2zho h HIS 153 Cb 1.56 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 31.24 2zho h HIS 153 CO 0.18 0.15 0.00 0.37 0.71 0.00 0.00 177.93 179.34 2zho h GLN 154 N 0.63 0.00 0.00 5.26 4.15 -1.38 -2.68 115.11 121.08 2zho h GLN 154 Ca 0.53 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.95 2zho h GLN 154 Cb 0.83 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.52 2zho h GLN 154 CO -0.40 0.00 -0.51 0.00 -1.93 0.00 0.00 178.83 175.99 2zho n ALA 155 N -2.05 2.92 -2.57 3.38 0.00 -0.02 -4.27 120.51 117.89 2zho n ALA 155 Ca 0.03 -0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 2zho n ALA 155 Cb 0.42 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.69 2zho n ALA 155 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2zho n PHE 156 N -2.01 1.92 0.00 0.00 0.99 -0.64 -5.07 117.46 112.66 2zho n PHE 156 Ca 0.04 -2.63 0.00 0.00 -0.00 0.00 0.00 57.45 54.86 2zho n PHE 156 Cb 0.42 -0.27 0.00 0.00 -1.00 0.00 0.00 39.48 38.63 2zho n PHE 156 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15