#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h6l s VAL 3 N 0.00 1.82 -0.20 -0.18 1.01 -1.26 -5.11 120.40 116.49 2h6l s VAL 3 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2h6l s VAL 3 Cb 0.00 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.77 2h6l s VAL 3 CO 0.00 0.50 -0.15 -0.36 0.00 0.00 0.00 175.10 175.10 2h6l s PHE 4 N 0.82 2.86 -0.02 5.22 0.40 -1.26 -5.11 117.98 120.88 2h6l s PHE 4 Ca -0.08 -1.49 -0.08 0.00 -0.60 0.00 0.00 56.93 54.68 2h6l s PHE 4 Cb -0.16 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.35 2h6l s PHE 4 CO -0.00 -0.74 0.26 -2.00 0.70 0.00 0.00 175.22 173.43 2h6l s GLU 5 N 1.33 3.59 0.30 0.44 2.12 -1.26 -5.09 118.70 120.13 2h6l s GLU 5 Ca 0.04 -0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.33 2h6l s GLU 5 Cb -0.14 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 2h6l s GLU 5 CO -0.10 0.68 0.38 -0.06 -0.54 0.00 0.00 175.26 175.62 2h6l s PHE 6 N -1.21 1.09 0.06 5.30 0.40 -1.26 -4.29 117.98 118.06 2h6l s PHE 6 Ca 0.24 -1.28 0.07 0.00 -0.60 0.00 0.00 56.93 55.36 2h6l s PHE 6 Cb -0.13 -0.24 -0.03 0.00 0.51 0.00 0.00 43.02 43.13 2h6l s PHE 6 CO 0.13 -0.98 -0.19 -1.21 0.70 0.00 0.00 175.22 173.68 2h6l s GLU 7 N -3.48 1.19 0.09 0.44 2.02 -0.57 -4.93 118.70 113.45 2h6l s GLU 7 Ca 0.33 -0.94 0.05 0.00 0.02 0.00 0.00 54.97 54.43 2h6l s GLU 7 Cb 0.01 -1.30 -0.04 0.00 0.10 0.00 0.00 34.13 32.90 2h6l s GLU 7 CO 0.18 0.32 -0.01 0.14 0.02 0.00 0.00 175.26 175.91 2h6l s VAL 8 N -0.91 3.93 0.31 2.63 -7.23 -1.26 -1.57 120.40 116.30 2h6l s VAL 8 Ca 0.05 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 2h6l s VAL 8 Cb -0.09 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.99 2h6l s VAL 8 CO 0.02 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 2h6l n GLY 9 N 0.62 -1.13 3.95 2.32 0.00 -1.26 -5.04 105.19 104.65 2h6l n GLY 9 Ca -0.11 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2h6l n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h6l s LYS 10 N -2.00 2.92 -0.06 1.61 3.01 -1.26 -5.12 119.74 118.84 2h6l s LYS 10 Ca 0.00 -0.41 -0.15 0.00 -1.01 0.00 0.00 55.97 54.40 2h6l s LYS 10 Cb 0.00 -2.47 0.03 0.00 -1.01 0.00 0.00 37.83 34.38 2h6l s LYS 10 CO 0.00 -0.47 0.35 0.20 0.51 0.00 0.00 175.35 175.94 2h6l s GLY 11 N -4.28 -0.22 0.00 -3.33 0.00 -1.26 -4.25 107.32 93.98 2h6l s GLY 11 Ca 0.51 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.89 2h6l s GLY 11 CO 0.40 0.45 -0.04 -1.36 0.00 0.00 0.00 173.10 172.54 2h6l s PHE 12 N -0.76 0.38 -0.11 1.90 0.08 -0.53 -5.00 117.98 113.94 2h6l s PHE 12 Ca -0.08 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 56.88 2h6l s PHE 12 Cb -0.04 -0.24 0.01 0.00 -0.57 0.00 0.00 43.02 42.17 2h6l s PHE 12 CO 0.03 -0.02 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.41 2h6l s LEU 13 N -0.25 2.00 0.06 -0.37 1.43 -1.26 -0.77 118.68 119.52 2h6l s LEU 13 Ca 0.00 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2h6l s LEU 13 Cb -0.02 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 2h6l s LEU 13 CO -0.00 0.10 -0.25 -0.76 0.23 0.00 0.00 176.35 175.67 2h6l s LEU 14 N 0.62 2.20 -0.36 1.79 1.43 0.75 -4.95 118.68 120.16 2h6l s LEU 14 Ca -0.13 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.31 2h6l s LEU 14 Cb -0.17 -1.18 0.06 0.00 0.03 0.00 0.00 46.19 44.94 2h6l s LEU 14 CO 0.03 0.21 0.14 -0.60 0.23 0.00 0.00 176.35 176.37 2h6l s ARG 15 N -1.38 2.47 0.64 1.70 3.52 -1.26 -1.20 118.95 123.44 2h6l s ARG 15 Ca 0.11 -1.38 -0.14 0.00 -0.13 0.00 0.00 55.73 54.18 2h6l s ARG 15 Cb -0.10 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2h6l s ARG 15 CO 0.03 -0.80 1.08 -0.51 -0.81 0.00 0.00 175.30 174.29 2h6l s LEU 16 N 1.33 3.37 0.21 -0.88 1.02 -0.55 -5.02 118.68 118.17 2h6l s LEU 16 Ca 0.01 1.86 -0.30 0.00 0.02 0.00 0.00 54.13 55.71 2h6l s LEU 16 Cb -0.21 -4.53 -0.08 0.00 0.02 0.00 0.00 46.19 41.38 2h6l s LEU 16 CO 0.01 -1.44 0.94 -1.81 0.02 0.00 0.00 176.35 174.07 2h6l s ASP 17 N -2.89 7.62 0.48 2.29 1.01 -1.26 -4.55 116.67 119.37 2h6l s ASP 17 Ca 0.64 1.92 -0.24 0.00 0.71 0.00 0.00 52.55 55.58 2h6l s ASP 17 Cb -0.17 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.08 2h6l s ASP 17 CO 0.42 0.11 1.33 -0.47 0.21 0.00 0.00 175.17 176.78 2h6l s TYR 18 N -0.93 2.54 0.00 4.23 6.14 -1.26 -3.12 117.35 124.94 2h6l s TYR 18 Ca 0.42 1.38 0.00 0.00 0.64 0.00 0.00 57.07 59.51 2h6l s TYR 18 Cb -0.25 -3.74 0.00 0.00 0.42 0.00 0.00 41.96 38.39 2h6l s TYR 18 CO 0.32 -2.52 0.00 0.41 0.64 0.00 0.00 175.55 174.40 2h6l n GLY 19 N 0.63 0.47 3.67 8.97 0.00 0.07 -4.96 105.19 114.05 2h6l n GLY 19 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 2h6l n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h6l s LYS 20 N -0.57 2.33 0.23 1.61 -0.14 -1.18 -4.81 119.74 117.21 2h6l s LYS 20 Ca 0.00 -1.45 -0.30 0.00 -1.36 0.00 0.00 55.97 52.86 2h6l s LYS 20 Cb 0.00 -2.17 -0.09 0.00 -1.68 0.00 0.00 37.83 33.89 2h6l s LYS 20 CO 0.00 0.29 1.36 0.34 -0.76 0.00 0.00 175.35 176.58 2h6l s ASP 21 N -3.73 6.80 0.04 2.83 2.15 -1.26 -1.40 116.67 122.10 2h6l s ASP 21 Ca 0.33 2.52 -0.27 0.00 0.43 0.00 0.00 52.55 55.56 2h6l s ASP 21 Cb -0.05 -2.62 -0.17 0.00 -0.30 0.00 0.00 42.92 39.78 2h6l s ASP 21 CO 0.21 -0.59 1.42 0.25 -0.17 0.00 0.00 175.17 176.29 2h6l h LEU 22 N 5.07 -0.47 -0.52 -1.34 6.46 -0.64 -2.38 115.31 121.49 2h6l h LEU 22 Ca -0.46 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.25 2h6l h LEU 22 Cb 1.22 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 41.23 2h6l h LEU 22 CO 0.76 -0.19 0.31 0.58 -0.62 0.00 0.00 178.44 179.28 2h6l h VAL 23 N -0.73 1.05 -0.94 1.05 2.07 -1.91 -2.64 116.25 114.20 2h6l h VAL 23 Ca -0.06 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.27 2h6l h VAL 23 Cb 0.52 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2h6l h VAL 23 CO 0.09 0.11 0.62 0.03 0.02 0.00 0.00 177.57 178.45 2h6l h ARG 24 N 0.62 1.21 -0.48 1.57 2.47 -1.94 -1.71 114.38 116.12 2h6l h ARG 24 Ca 0.21 -0.07 -0.05 0.00 -1.26 0.00 0.00 59.98 58.80 2h6l h ARG 24 Cb 0.02 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.05 2h6l h ARG 24 CO -0.10 0.80 0.10 1.96 0.56 0.00 0.00 179.97 183.30 2h6l h GLN 25 N 1.25 0.78 -0.35 0.04 4.20 -1.13 -0.94 115.11 118.97 2h6l h GLN 25 Ca 0.35 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2h6l h GLN 25 Cb -0.11 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2h6l h GLN 25 CO -0.09 0.78 0.19 0.82 -0.67 0.00 0.00 178.83 179.86 2h6l h ILE 26 N 0.66 1.14 -0.26 2.54 2.04 -1.20 -1.19 117.51 121.24 2h6l h ILE 26 Ca 0.15 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2h6l h ILE 26 Cb 0.36 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2h6l h ILE 26 CO 0.01 0.15 0.09 -0.33 0.00 0.00 0.00 178.15 178.07 2h6l h GLU 27 N 0.44 0.37 -0.41 2.37 5.08 -1.11 0.74 114.58 122.05 2h6l h GLU 27 Ca 0.12 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 2h6l h GLU 27 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2h6l h GLU 27 CO -0.02 0.32 -0.33 0.93 -1.00 0.00 0.00 179.01 178.91 2h6l h GLU 28 N 0.37 0.94 -0.31 2.33 5.08 -0.62 -1.64 114.58 120.73 2h6l h GLU 28 Ca 0.09 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2h6l h GLU 28 Cb 0.10 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2h6l h GLU 28 CO -0.01 1.12 0.14 0.35 -1.00 0.00 0.00 179.01 179.61 2h6l h PHE 29 N 0.78 0.44 -0.62 4.33 3.57 -0.07 -2.01 116.94 123.36 2h6l h PHE 29 Ca 0.08 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2h6l h PHE 29 Cb 0.91 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 2h6l h PHE 29 CO 0.06 0.40 0.36 -0.07 -2.23 0.00 0.00 178.31 176.83 2h6l h LEU 30 N 0.36 0.57 -0.66 0.59 3.38 -0.73 -1.76 115.31 117.06 2h6l h LEU 30 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2h6l h LEU 30 Cb 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2h6l h LEU 30 CO -0.01 0.39 0.34 -0.33 0.09 0.00 0.00 178.44 178.92 2h6l h GLU 31 N 0.70 0.94 -0.73 1.13 4.39 -1.15 0.30 114.58 120.15 2h6l h GLU 31 Ca 0.26 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 2h6l h GLU 31 Cb 0.08 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2h6l h GLU 31 CO -0.13 0.73 0.39 1.49 -1.16 0.00 0.00 179.01 180.32 2h6l h GLU 32 N 0.91 1.02 0.00 2.33 4.81 -0.88 -2.81 114.58 119.96 2h6l h GLU 32 Ca 0.23 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2h6l h GLU 32 Cb 0.08 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2h6l h GLU 32 CO -0.03 0.77 -0.54 1.63 -0.73 0.00 0.00 179.01 180.11 2h6l n LYS 33 N -4.46 0.09 -2.97 1.92 4.76 -0.71 -4.96 118.16 111.84 2h6l n LYS 33 Ca 0.06 0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.42 2h6l n LYS 33 Cb 0.10 -1.55 0.03 0.00 -1.84 0.00 0.00 35.03 31.77 2h6l n LYS 33 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2h6l n GLY 34 N 1.45 0.28 3.60 0.72 0.00 0.89 -4.99 105.19 107.14 2h6l n GLY 34 Ca 0.05 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2h6l n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h6l s ILE 35 N -3.13 5.04 -0.53 -0.61 -1.09 -0.33 -4.93 121.20 115.63 2h6l s ILE 35 Ca 0.26 0.76 0.16 0.00 -2.23 0.00 0.00 60.65 59.60 2h6l s ILE 35 Cb -0.11 -3.87 -0.20 0.00 -1.58 0.00 0.00 42.46 36.69 2h6l s ILE 35 CO 0.32 -0.00 0.59 1.41 -1.23 0.00 0.00 174.94 176.02 2h6l n HIS 36 N 5.62 0.00 -3.74 3.97 8.25 -1.26 -4.68 115.22 123.38 2h6l n HIS 36 Ca -0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.30 2h6l n HIS 36 Cb 0.49 -0.12 -0.12 0.00 1.12 0.00 0.00 29.99 31.36 2h6l n HIS 36 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h6l s ALA 37 N -2.71 -0.63 0.05 -1.41 0.00 -1.26 -3.20 121.76 112.60 2h6l s ALA 37 Ca 0.02 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 2h6l s ALA 37 Cb 0.12 -0.59 0.09 0.00 0.00 0.00 0.00 23.12 22.74 2h6l s ALA 37 CO 0.67 -0.18 1.07 0.00 0.00 0.00 0.00 175.76 177.33 2h6l s ALA 38 N 0.91 -1.90 -0.10 0.00 0.00 -1.10 0.03 121.76 119.61 2h6l s ALA 38 Ca -0.06 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 2h6l s ALA 38 Cb -0.07 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 2h6l s ALA 38 CO -0.06 -0.96 -0.06 -1.58 0.00 0.00 0.00 175.76 173.10 2h6l s HIS 39 N -2.92 2.96 0.02 0.00 5.65 -0.49 -0.49 115.29 120.03 2h6l s HIS 39 Ca 0.12 -0.12 0.08 0.00 0.25 0.00 0.00 55.06 55.38 2h6l s HIS 39 Cb 0.01 -1.80 -0.02 0.00 -1.18 0.00 0.00 32.58 29.59 2h6l s HIS 39 CO -0.02 0.19 -0.23 0.42 -0.65 0.00 0.00 174.74 174.45 2h6l s ILE 40 N -0.38 1.86 -0.00 0.89 1.01 0.45 -1.60 121.20 123.43 2h6l s ILE 40 Ca 0.06 -1.17 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 2h6l s ILE 40 Cb -0.12 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.78 2h6l s ILE 40 CO 0.02 0.37 0.26 -0.55 0.00 0.00 0.00 174.94 175.04 2h6l s SER 41 N -0.94 -0.11 0.05 3.58 0.15 -0.85 -1.09 113.70 114.48 2h6l s SER 41 Ca 0.09 -0.04 -0.27 0.00 0.70 0.00 0.00 55.95 56.44 2h6l s SER 41 Cb -0.09 0.28 0.09 0.00 -1.71 0.00 0.00 66.02 64.59 2h6l s SER 41 CO 0.01 -0.44 0.82 0.00 1.20 0.00 0.00 173.24 174.83 2h6l s ALA 42 N -1.48 -1.75 0.17 5.45 0.00 -0.69 -0.13 121.76 123.33 2h6l s ALA 42 Ca -0.13 0.80 -0.08 0.00 0.00 0.00 0.00 51.96 52.55 2h6l s ALA 42 Cb -0.05 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 2h6l s ALA 42 CO 0.03 -0.74 0.27 0.96 0.00 0.00 0.00 175.76 176.28 2h6l s ILE 43 N -3.30 0.05 0.00 0.00 -4.36 -1.05 -3.16 121.20 109.38 2h6l s ILE 43 Ca 0.05 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 2h6l s ILE 43 Cb -0.01 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 41.73 2h6l s ILE 43 CO -0.09 -0.25 0.00 0.61 0.24 0.00 0.00 174.94 175.45 2h6l n GLY 44 N -0.23 0.41 3.29 6.27 0.00 -1.25 -2.02 105.19 111.66 2h6l n GLY 44 Ca -0.06 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 2h6l n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h6l s ALA 45 N -1.00 -0.85 0.15 4.61 0.00 0.64 -0.11 121.76 125.19 2h6l s ALA 45 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.17 2h6l s ALA 45 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 2h6l s ALA 45 CO 0.00 -0.44 -0.14 0.14 0.00 0.00 0.00 175.76 175.32 2h6l s VAL 46 N -2.57 1.44 -0.20 0.00 -7.23 -0.14 -1.47 120.40 110.23 2h6l s VAL 46 Ca -0.05 -1.90 0.20 0.00 -1.81 0.00 0.00 61.98 58.42 2h6l s VAL 46 Cb -0.01 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 2h6l s VAL 46 CO -0.03 -0.50 1.04 0.03 -0.31 0.00 0.00 175.10 175.32 2h6l h ARG 47 N 3.17 0.00 -1.83 4.82 3.08 -0.81 -1.59 114.38 121.22 2h6l h ARG 47 Ca -0.39 0.00 0.27 0.00 0.07 0.00 0.00 59.98 59.93 2h6l h ARG 47 Cb 1.20 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.15 2h6l h ARG 47 CO 0.55 0.14 0.71 -1.54 -1.07 0.00 0.00 179.97 178.76 2h6l s SER 48 N -5.66 -0.09 0.16 7.04 1.04 -1.25 -3.24 113.70 111.71 2h6l s SER 48 Ca -0.00 -0.26 -0.24 0.00 0.48 0.00 0.00 55.95 55.93 2h6l s SER 48 Cb 0.09 0.29 0.07 0.00 0.10 0.00 0.00 66.02 66.56 2h6l s SER 48 CO 0.79 -0.53 0.98 0.00 0.98 0.00 0.00 173.24 175.45 2h6l s ALA 49 N -2.67 -1.62 -0.13 5.32 0.00 -0.24 -1.52 121.76 120.91 2h6l s ALA 49 Ca 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.10 2h6l s ALA 49 Cb 0.02 0.66 0.04 0.00 0.00 0.00 0.00 23.12 23.84 2h6l s ALA 49 CO -0.01 -1.05 0.03 0.08 0.00 0.00 0.00 175.76 174.81 2h6l s VAL 50 N -3.02 0.30 0.18 0.00 1.01 0.11 -1.54 120.40 117.44 2h6l s VAL 50 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2h6l s VAL 50 Cb -0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.69 2h6l s VAL 50 CO 0.03 0.00 0.00 2.30 0.00 0.00 0.00 175.10 177.44 2h6l n ILE 51 N 5.15 0.00 0.00 2.22 -5.35 -0.76 -0.89 119.36 119.74 2h6l n ILE 51 Ca -0.07 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.56 2h6l n ILE 51 Cb 0.49 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 2h6l n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2h6l n GLY 52 N 2.73 0.37 3.36 3.28 0.00 -0.70 -0.05 105.19 114.18 2h6l n GLY 52 Ca -0.07 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 2h6l n GLY 52 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2h6l s TYR 53 N -2.00 1.74 -0.26 1.61 -0.85 -0.04 -0.32 117.35 117.24 2h6l s TYR 53 Ca 0.00 -0.64 -0.09 0.00 -0.52 0.00 0.00 57.07 55.82 2h6l s TYR 53 Cb 0.00 -0.88 -0.04 0.00 0.38 0.00 0.00 41.96 41.42 2h6l s TYR 53 CO 0.00 0.30 0.12 -0.47 -1.52 0.00 0.00 175.55 173.98 2h6l s TYR 54 N -3.03 3.15 -0.34 -3.49 5.04 -1.26 -0.29 117.35 117.13 2h6l s TYR 54 Ca 0.24 -0.17 -0.29 0.00 -2.44 0.00 0.00 57.07 54.42 2h6l s TYR 54 Cb 0.01 -2.29 0.00 0.00 0.35 0.00 0.00 41.96 40.04 2h6l s TYR 54 CO 0.08 -0.24 1.34 0.34 -1.34 0.00 0.00 175.55 175.72 2h6l s ASP 55 N 1.59 6.56 0.07 4.32 -1.08 -0.05 -4.86 116.67 123.21 2h6l s ASP 55 Ca 0.06 1.07 0.22 0.00 -0.52 0.00 0.00 52.55 53.38 2h6l s ASP 55 Cb -0.15 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.66 2h6l s ASP 55 CO 0.06 -1.20 1.69 0.00 0.52 0.00 0.00 175.17 176.24 2h6l n GLN 56 N 7.58 0.07 -0.12 4.34 6.02 -1.26 -1.31 117.38 132.70 2h6l n GLN 56 Ca 0.15 0.20 -0.22 0.00 -0.01 0.00 0.00 57.00 57.12 2h6l n GLN 56 Cb 0.47 -1.60 -0.08 0.00 1.02 0.00 0.00 30.24 30.05 2h6l n GLN 56 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2h6l n GLU 57 N -1.73 0.56 0.04 -1.09 4.71 -1.26 -4.35 120.64 117.52 2h6l n GLU 57 Ca 0.05 0.34 0.11 0.00 -0.01 0.00 0.00 57.16 57.64 2h6l n GLU 57 Cb 0.27 -1.55 0.46 0.00 -1.01 0.00 0.00 31.44 29.61 2h6l n GLU 57 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2h6l n LYS 58 N -4.36 0.08 -3.51 3.49 5.02 -1.25 -4.92 118.16 112.72 2h6l n LYS 58 Ca -0.38 0.19 -0.19 0.00 -2.02 0.00 0.00 58.31 55.91 2h6l n LYS 58 Cb 0.72 -1.62 0.08 0.00 -0.02 0.00 0.00 35.03 34.19 2h6l n LYS 58 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2h6l n LYS 59 N -1.77 -6.45 -3.73 1.97 5.02 -0.43 -5.01 118.16 107.76 2h6l n LYS 59 Ca 0.05 0.80 -0.13 0.00 -2.02 0.00 0.00 58.31 57.01 2h6l n LYS 59 Cb 0.28 -5.74 -0.08 0.00 -0.02 0.00 0.00 35.03 29.48 2h6l n LYS 59 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2h6l s GLU 60 N -5.61 0.77 0.46 1.97 -1.05 -1.12 -4.95 118.70 109.18 2h6l s GLU 60 Ca 0.08 -0.29 -0.18 0.00 -0.15 0.00 0.00 54.97 54.43 2h6l s GLU 60 Cb -0.04 0.34 -0.09 0.00 -0.44 0.00 0.00 34.13 33.90 2h6l s GLU 60 CO 0.75 -0.24 0.95 0.71 0.95 0.00 0.00 175.26 178.38 2h6l s TYR 61 N -1.88 3.38 -0.20 4.83 2.02 -1.26 -0.87 117.35 123.37 2h6l s TYR 61 Ca -0.09 1.50 -0.00 0.00 -0.37 0.00 0.00 57.07 58.11 2h6l s TYR 61 Cb -0.03 -2.79 0.05 0.00 -0.40 0.00 0.00 41.96 38.79 2h6l s TYR 61 CO 0.01 -0.22 -0.04 0.08 -1.57 0.00 0.00 175.55 173.81 2h6l s VAL 62 N -2.38 1.20 0.23 0.71 1.01 0.60 -4.90 120.40 116.87 2h6l s VAL 62 Ca 0.60 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2h6l s VAL 62 Cb -0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2h6l s VAL 62 CO 0.22 -0.01 0.36 -1.59 0.00 0.00 0.00 175.10 174.09 2h6l s LYS 63 N 1.57 3.45 -0.03 2.72 -2.85 -1.26 -0.86 119.74 122.47 2h6l s LYS 63 Ca -0.02 -0.69 0.03 0.00 -1.00 0.00 0.00 55.97 54.29 2h6l s LYS 63 Cb -0.17 -2.89 0.00 0.00 -2.06 0.00 0.00 37.83 32.71 2h6l s LYS 63 CO -0.07 0.43 -0.11 0.21 0.10 0.00 0.00 175.35 175.90 2h6l s LYS 64 N -3.84 1.19 -0.12 1.78 2.20 0.92 -4.93 119.74 116.95 2h6l s LYS 64 Ca 0.35 -0.40 -0.09 0.00 -0.36 0.00 0.00 55.97 55.47 2h6l s LYS 64 Cb -0.09 -1.08 -0.04 0.00 -1.51 0.00 0.00 37.83 35.10 2h6l s LYS 64 CO 0.29 0.16 0.20 -1.21 -0.36 0.00 0.00 175.35 174.43 2h6l s GLU 65 N 0.13 3.72 0.33 4.03 2.02 -1.26 -1.82 118.70 125.85 2h6l s GLU 65 Ca -0.03 -0.03 0.03 0.00 0.02 0.00 0.00 54.97 54.96 2h6l s GLU 65 Cb -0.09 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 2h6l s GLU 65 CO 0.01 0.64 0.08 -0.51 0.02 0.00 0.00 175.26 175.50 2h6l s LEU 66 N -0.67 2.03 0.33 1.80 1.43 -0.59 -5.03 118.68 117.99 2h6l s LEU 66 Ca 0.15 -1.45 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 2h6l s LEU 66 Cb -0.13 -0.24 0.00 0.00 0.03 0.00 0.00 46.19 45.85 2h6l s LEU 66 CO 0.05 -0.71 0.00 1.21 0.23 0.00 0.00 176.35 177.13 2h6l n GLU 68 N -0.70 -2.56 -1.92 1.70 2.13 -1.25 -1.08 120.64 116.96 2h6l n GLU 68 Ca -0.03 1.94 -0.41 0.00 0.66 0.00 0.00 57.16 59.32 2h6l n GLU 68 Cb 0.66 -2.29 -0.02 0.00 0.27 0.00 0.00 31.44 30.06 2h6l n GLU 68 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2h6l s PRO 69 N -4.73 4.21 0.05 5.31 0.02 -1.20 -4.20 135.00 134.46 2h6l s PRO 69 Ca 0.00 2.41 -0.00 0.00 0.02 0.00 0.00 61.00 63.43 2h6l s PRO 69 Cb 0.00 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.42 2h6l s PRO 69 CO 0.00 -0.49 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.63 2h6l s LEU 70 N -0.55 2.42 0.28 -5.54 2.01 -0.60 -4.97 118.68 111.72 2h6l s LEU 70 Ca 0.60 -0.85 -0.17 0.00 0.01 0.00 0.00 54.13 53.72 2h6l s LEU 70 Cb -0.44 0.12 -0.09 0.00 0.01 0.00 0.00 46.19 45.79 2h6l s LEU 70 CO 0.46 -0.48 0.73 -1.61 1.01 0.00 0.00 176.35 176.46 2h6l s GLU 71 N -3.15 4.12 -0.76 1.70 0.41 -0.61 -0.96 118.70 119.45 2h6l s GLU 71 Ca 0.01 0.76 -0.23 0.00 -0.41 0.00 0.00 54.97 55.11 2h6l s GLU 71 Cb 0.02 -2.64 0.07 0.00 -1.78 0.00 0.00 34.13 29.80 2h6l s GLU 71 CO -0.06 0.27 1.09 0.42 -0.49 0.00 0.00 175.26 176.48 2h6l s ILE 72 N -1.77 4.27 0.24 -1.63 1.01 0.84 -2.02 121.20 122.14 2h6l s ILE 72 Ca 0.49 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.66 2h6l s ILE 72 Cb -0.13 -4.77 -0.02 0.00 0.01 0.00 0.00 42.46 37.55 2h6l s ILE 72 CO 0.19 -1.57 1.59 -0.07 0.00 0.00 0.00 174.94 175.08 2h6l h LEU 73 N 11.57 0.35 -7.00 2.97 3.38 -0.84 -3.31 115.31 122.43 2h6l h LEU 73 Ca -0.16 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.64 2h6l h LEU 73 Cb 1.05 -0.10 -0.22 0.00 0.09 0.00 0.00 40.66 41.49 2h6l h LEU 73 CO 1.21 0.81 0.11 -0.55 0.09 0.00 0.00 178.44 180.10 2h6l s SER 74 N -6.89 -0.82 -0.09 -0.43 0.15 -0.91 -4.96 113.70 99.75 2h6l s SER 74 Ca -0.05 1.41 -0.03 0.00 0.70 0.00 0.00 55.95 57.98 2h6l s SER 74 Cb 0.12 1.38 0.05 0.00 -1.71 0.00 0.00 66.02 65.86 2h6l s SER 74 CO 0.80 -0.23 0.15 -0.22 1.20 0.00 0.00 173.24 174.94 2h6l s LEU 75 N 1.08 -0.04 0.02 3.45 0.20 -1.19 -0.96 118.68 121.25 2h6l s LEU 75 Ca -0.06 0.23 -0.07 0.00 0.69 0.00 0.00 54.13 54.93 2h6l s LEU 75 Cb -0.05 0.21 -0.00 0.00 -0.43 0.00 0.00 46.19 45.92 2h6l s LEU 75 CO -0.11 -0.26 0.13 -0.55 -0.29 0.00 0.00 176.35 175.27 2h6l s SER 76 N 2.28 0.10 0.00 3.68 0.15 -0.77 -1.71 113.70 117.42 2h6l s SER 76 Ca 0.04 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2h6l s SER 76 Cb -0.12 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2h6l s SER 76 CO -0.06 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2h6l n GLY 77 N 1.02 -0.83 3.36 9.45 0.00 -0.25 -0.98 105.19 116.96 2h6l n GLY 77 Ca -0.20 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 2h6l n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h6l s ASN 78 N -4.00 0.05 0.00 1.61 2.20 -0.55 -0.41 114.94 113.84 2h6l s ASN 78 Ca 0.00 -1.10 0.07 0.00 -0.94 0.00 0.00 52.86 50.89 2h6l s ASN 78 Cb 0.00 0.46 -0.03 0.00 -2.00 0.00 0.00 41.25 39.68 2h6l s ASN 78 CO 0.00 -0.95 -0.21 -0.69 -2.94 0.00 0.00 177.10 172.31 2h6l s VAL 79 N -4.06 2.48 0.00 3.54 1.01 0.36 -1.68 120.40 122.05 2h6l s VAL 79 Ca 0.27 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2h6l s VAL 79 Cb 0.03 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2h6l s VAL 79 CO 0.08 0.48 0.00 -1.54 0.00 0.00 0.00 175.10 174.11 2h6l n SER 80 N 2.05 0.00 0.00 3.32 3.41 -0.92 -2.70 113.62 118.78 2h6l n SER 80 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2h6l n SER 80 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2h6l n SER 80 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2h6l n LYS 82 N 0.00 0.00 -3.80 4.33 4.81 -0.95 0.68 118.16 123.23 2h6l n LYS 82 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.18 2h6l n LYS 82 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 2h6l n LYS 82 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2h6l n ASP 83 N 0.00 -3.24 -0.65 3.14 8.00 -1.26 -2.27 116.55 120.27 2h6l n ASP 83 Ca 0.00 -0.78 -0.08 0.00 0.71 0.00 0.00 54.79 54.63 2h6l n ASP 83 Cb 0.00 -4.04 -0.04 0.00 -0.02 0.00 0.00 41.12 37.03 2h6l n ASP 83 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2h6l n SER 84 N -2.95 -4.62 -3.63 -2.24 2.88 -1.26 -5.00 113.62 96.80 2h6l n SER 84 Ca -0.12 0.21 -0.13 0.00 -1.33 0.00 0.00 58.87 57.50 2h6l n SER 84 Cb 0.60 -2.87 -0.06 0.00 -0.75 0.00 0.00 64.21 61.13 2h6l n SER 84 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2h6l s LYS 85 N -2.45 0.96 -0.00 -1.46 -2.85 -0.96 -5.12 119.74 107.85 2h6l s LYS 85 Ca 0.00 -0.32 -0.36 0.00 -1.00 0.00 0.00 55.97 54.29 2h6l s LYS 85 Cb 0.00 0.43 -0.15 0.00 -2.06 0.00 0.00 37.83 36.05 2h6l s LYS 85 CO 0.00 -0.34 1.58 -0.35 0.10 0.00 0.00 175.35 176.34 2h6l n PRO 86 N 0.47 1.58 -4.87 1.78 -0.04 -1.26 -2.23 135.00 130.44 2h6l n PRO 86 Ca -0.18 0.57 -0.31 0.00 -0.04 0.00 0.00 63.50 63.54 2h6l n PRO 86 Cb 0.60 -2.29 -0.17 0.00 -0.04 0.00 0.00 33.50 31.60 2h6l n PRO 86 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2h6l s PHE 87 N 1.86 2.35 -0.07 0.54 5.36 0.21 -4.89 117.98 123.35 2h6l s PHE 87 Ca 0.87 -1.04 -0.18 0.00 -0.96 0.00 0.00 56.93 55.62 2h6l s PHE 87 Cb -0.86 -1.61 -0.05 0.00 -0.34 0.00 0.00 43.02 40.16 2h6l s PHE 87 CO 0.49 -0.46 0.50 0.00 -1.46 0.00 0.00 175.22 174.29 2h6l s HIS 89 N 0.15 3.12 -0.01 0.00 2.46 -0.68 -5.02 115.29 115.32 2h6l s HIS 89 Ca 0.27 -2.19 0.03 0.00 0.47 0.00 0.00 55.06 53.64 2h6l s HIS 89 Cb -0.16 -1.89 -0.00 0.00 -0.13 0.00 0.00 32.58 30.39 2h6l s HIS 89 CO 0.13 -0.86 -0.10 0.42 -2.47 0.00 0.00 174.74 171.86 2h6l s ILE 90 N 1.15 0.79 0.02 0.89 1.01 -1.26 -1.47 121.20 122.33 2h6l s ILE 90 Ca -0.07 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.24 2h6l s ILE 90 Cb -0.19 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 2h6l s ILE 90 CO -0.06 0.23 -0.20 -1.00 0.00 0.00 0.00 174.94 173.91 2h6l s HIS 91 N -0.12 2.51 0.20 3.97 3.76 -0.16 -0.55 115.29 124.90 2h6l s HIS 91 Ca 0.02 -0.29 -0.00 0.00 -0.15 0.00 0.00 55.06 54.63 2h6l s HIS 91 Cb -0.05 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.12 2h6l s HIS 91 CO -0.00 0.19 0.11 0.14 -0.85 0.00 0.00 174.74 174.32 2h6l s VAL 92 N -0.84 0.17 -0.09 -0.90 -7.23 -0.48 -1.85 120.40 109.18 2h6l s VAL 92 Ca 0.13 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2h6l s VAL 92 Cb -0.10 -2.45 0.03 0.00 0.56 0.00 0.00 36.38 34.42 2h6l s VAL 92 CO 0.03 -0.09 0.01 -0.76 -0.31 0.00 0.00 175.10 173.99 2h6l s LEU 93 N -3.18 0.64 0.11 1.32 1.43 -0.13 -1.63 118.68 117.23 2h6l s LEU 93 Ca 0.36 -0.19 0.09 0.00 -1.03 0.00 0.00 54.13 53.36 2h6l s LEU 93 Cb 0.07 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 2h6l s LEU 93 CO 0.11 -0.22 -0.22 -0.76 0.23 0.00 0.00 176.35 175.49 2h6l s LEU 94 N 1.97 2.30 0.00 1.79 1.02 0.12 -0.17 118.68 125.72 2h6l s LEU 94 Ca 0.04 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 53.50 2h6l s LEU 94 Cb -0.13 -0.93 0.00 0.00 0.02 0.00 0.00 46.19 45.15 2h6l s LEU 94 CO -0.06 0.07 0.00 0.61 0.02 0.00 0.00 176.35 177.00 2h6l n GLY 95 N 1.06 -0.26 3.64 -3.19 0.00 -0.86 -0.29 105.19 105.28 2h6l n GLY 95 Ca -0.19 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 2h6l n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h6l s LYS 96 N -2.00 0.72 6.49 1.61 -2.85 0.21 -1.57 119.74 122.35 2h6l s LYS 96 Ca 0.00 1.04 0.00 0.00 -1.00 0.00 0.00 55.97 56.01 2h6l s LYS 96 Cb 0.00 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 2h6l s LYS 96 CO 0.00 -0.12 0.00 -0.25 0.10 0.00 0.00 175.35 175.08 2h6l n ASP 97 N 3.40 0.00 -0.26 0.03 8.00 -1.26 -0.74 116.55 125.73 2h6l n ASP 97 Ca -0.17 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.48 2h6l n ASP 97 Cb 0.57 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 42.37 2h6l n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h6l n GLY 98 N 0.00 -0.46 3.43 0.44 0.00 -1.26 -4.67 105.19 102.66 2h6l n GLY 98 Ca 0.00 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 2h6l n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h6l s GLU 99 N -1.99 3.10 -0.04 1.61 2.12 0.08 -5.02 118.70 118.57 2h6l s GLU 99 Ca 0.42 -0.99 0.04 0.00 0.36 0.00 0.00 54.97 54.79 2h6l s GLU 99 Cb 0.21 -4.22 -0.00 0.00 0.26 0.00 0.00 34.13 30.37 2h6l s GLU 99 CO 0.34 -1.65 -0.15 0.08 -0.54 0.00 0.00 175.26 173.34 2h6l s VAL 100 N 3.43 1.25 0.08 3.70 1.01 -1.26 -0.62 120.40 127.98 2h6l s VAL 100 Ca 0.18 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.62 2h6l s VAL 100 Cb -0.20 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2h6l s VAL 100 CO 0.09 0.37 -0.21 -0.31 0.00 0.00 0.00 175.10 175.04 2h6l s TYR 101 N 0.06 1.79 0.07 5.22 2.02 0.60 -4.99 117.35 122.12 2h6l s TYR 101 Ca -0.03 -0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.14 2h6l s TYR 101 Cb -0.10 -1.02 0.02 0.00 -0.40 0.00 0.00 41.96 40.45 2h6l s TYR 101 CO 0.02 0.16 0.29 0.20 -1.57 0.00 0.00 175.55 174.65 2h6l s GLY 102 N -1.59 -0.10 0.00 0.71 0.00 -1.26 -0.70 107.32 104.38 2h6l s GLY 102 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.62 2h6l s GLY 102 CO 0.03 -0.39 0.00 0.61 0.00 0.00 0.00 173.10 173.35 2h6l n GLY 103 N 0.24 -0.94 3.71 0.20 0.00 -0.65 -4.75 105.19 103.00 2h6l n GLY 103 Ca -0.17 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2h6l n GLY 103 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2h6l s HIS 104 N -2.88 3.24 -0.02 1.61 5.65 0.57 -1.38 115.29 122.08 2h6l s HIS 104 Ca 0.00 1.10 -0.24 0.00 0.25 0.00 0.00 55.06 56.17 2h6l s HIS 104 Cb 0.00 -3.55 -0.04 0.00 -1.18 0.00 0.00 32.58 27.81 2h6l s HIS 104 CO 0.00 -1.84 0.72 -1.17 -0.65 0.00 0.00 174.74 171.80 2h6l s LEU 105 N 1.44 4.37 -0.15 8.88 2.96 0.28 -1.72 118.68 134.75 2h6l s LEU 105 Ca 0.61 1.28 -0.04 0.00 -0.22 0.00 0.00 54.13 55.77 2h6l s LEU 105 Cb -0.32 -3.13 -0.08 0.00 0.50 0.00 0.00 46.19 43.17 2h6l s LEU 105 CO 0.28 -0.05 -0.17 0.49 -1.32 0.00 0.00 176.35 175.58 2h6l n PHE 106 N 3.33 0.00 -3.48 5.38 3.72 -0.06 -4.69 117.46 121.66 2h6l n PHE 106 Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 2h6l n PHE 106 Cb 0.51 -0.55 -0.04 0.00 -0.94 0.00 0.00 39.48 38.46 2h6l n PHE 106 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2h6l s SER 107 N -5.96 -0.57 -0.28 4.37 1.04 -1.01 -4.90 113.70 106.39 2h6l s SER 107 Ca -0.21 0.30 -0.17 0.00 0.48 0.00 0.00 55.95 56.36 2h6l s SER 107 Cb 0.07 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.81 2h6l s SER 107 CO 0.30 -0.75 0.72 0.00 0.98 0.00 0.00 173.24 174.49 2h6l s ALA 108 N -2.52 -1.90 -0.24 5.32 0.00 -1.26 0.08 121.76 121.24 2h6l s ALA 108 Ca -0.03 2.36 -0.24 0.00 0.00 0.00 0.00 51.96 54.04 2h6l s ALA 108 Cb -0.01 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 2h6l s ALA 108 CO -0.03 -0.37 0.81 -2.00 0.00 0.00 0.00 175.76 174.18 2h6l s GLU 109 N 1.45 4.18 0.25 0.00 2.12 -0.58 0.16 118.70 126.28 2h6l s GLU 109 Ca -0.09 0.91 -0.30 0.00 0.36 0.00 0.00 54.97 55.86 2h6l s GLU 109 Cb -0.05 -3.65 -0.09 0.00 0.26 0.00 0.00 34.13 30.60 2h6l s GLU 109 CO -0.17 -0.51 1.24 0.08 -0.54 0.00 0.00 175.26 175.36 2h6l s VAL 110 N 2.82 3.19 -0.16 3.70 1.01 -0.49 -0.16 120.40 130.31 2h6l s VAL 110 Ca 0.34 1.09 -0.14 0.00 0.00 0.00 0.00 61.98 63.26 2h6l s VAL 110 Cb -0.15 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 2h6l s VAL 110 CO 0.07 0.21 -0.29 0.33 0.00 0.00 0.00 175.10 175.43 2h6l n PHE 111 N 1.75 0.00 -3.66 5.22 7.35 -0.54 -0.75 117.46 126.83 2h6l n PHE 111 Ca 0.02 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.64 2h6l n PHE 111 Cb 0.43 -0.52 -0.09 0.00 0.35 0.00 0.00 39.48 39.66 2h6l n PHE 111 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2h6l s ALA 112 N -2.68 -1.34 -0.03 3.13 0.00 -0.97 -4.55 121.76 115.33 2h6l s ALA 112 Ca -0.26 1.72 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 2h6l s ALA 112 Cb 0.06 -1.33 0.03 0.00 0.00 0.00 0.00 23.12 21.88 2h6l s ALA 112 CO 0.37 -0.66 0.06 0.00 0.00 0.00 0.00 175.76 175.53 2h6l s GLU 114 N 1.05 2.70 -0.11 0.00 2.02 -0.86 -1.48 118.70 122.02 2h6l s GLU 114 Ca -0.09 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 53.84 2h6l s GLU 114 Cb -0.12 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 2h6l s GLU 114 CO -0.03 -0.42 -0.05 0.08 0.02 0.00 0.00 175.26 174.86 2h6l s VAL 115 N 1.26 3.86 -0.19 2.63 1.01 -0.34 -2.52 120.40 126.12 2h6l s VAL 115 Ca -0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2h6l s VAL 115 Cb -0.17 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2h6l s VAL 115 CO -0.06 0.55 0.03 0.12 0.00 0.00 0.00 175.10 175.75 2h6l s PHE 116 N -0.31 3.14 -0.10 5.22 5.36 0.81 -0.18 117.98 131.93 2h6l s PHE 116 Ca 0.05 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 55.90 2h6l s PHE 116 Cb -0.12 -2.07 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 2h6l s PHE 116 CO 0.02 -0.01 -0.20 0.08 -1.46 0.00 0.00 175.22 173.65 2h6l s VAL 117 N 0.61 1.78 -0.45 3.12 1.01 0.05 -2.01 120.40 124.52 2h6l s VAL 117 Ca 0.01 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2h6l s VAL 117 Cb -0.14 -1.57 0.12 0.00 0.00 0.00 0.00 36.38 34.80 2h6l s VAL 117 CO 0.02 0.50 0.20 -0.22 0.00 0.00 0.00 175.10 175.60 2h6l s LEU 118 N 0.58 4.86 0.57 3.92 2.96 -0.63 -1.46 118.68 129.49 2h6l s LEU 118 Ca -0.14 -2.44 -0.20 0.00 -0.22 0.00 0.00 54.13 51.12 2h6l s LEU 118 Cb -0.17 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2h6l s LEU 118 CO 0.05 -0.39 1.26 -2.16 -1.32 0.00 0.00 176.35 173.79 2h6l s PRO 119 N 0.52 3.07 -0.22 0.98 0.04 -1.26 -1.39 135.00 136.75 2h6l s PRO 119 Ca 0.13 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.16 2h6l s PRO 119 Cb -0.22 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.28 2h6l s PRO 119 CO -0.04 -1.17 -0.15 -0.51 0.04 0.00 0.00 177.00 175.16 2h6l s LEU 120 N -3.80 2.74 -0.45 -3.56 1.43 0.11 -4.57 118.68 110.57 2h6l s LEU 120 Ca 0.75 -1.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.58 2h6l s LEU 120 Cb -0.34 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.41 2h6l s LEU 120 CO 0.39 -0.09 0.93 -0.55 0.23 0.00 0.00 176.35 177.25 2h6l s SER 121 N 1.21 6.52 0.00 2.29 0.15 -0.61 -4.42 113.70 118.84 2h6l s SER 121 Ca -0.02 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2h6l s SER 121 Cb -0.16 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2h6l s SER 121 CO -0.09 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 173.92 2h6l n GLY 122 N 4.88 -1.41 3.65 9.45 0.00 -1.26 -1.52 105.19 118.98 2h6l n GLY 122 Ca 0.06 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 2h6l n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h6l s GLU 123 N -1.52 4.02 0.08 1.61 0.41 -1.26 -4.95 118.70 117.08 2h6l s GLU 123 Ca 0.00 1.96 -0.31 0.00 -0.41 0.00 0.00 54.97 56.21 2h6l s GLU 123 Cb 0.00 -4.00 -0.06 0.00 -1.78 0.00 0.00 34.13 28.29 2h6l s GLU 123 CO 0.00 -1.03 1.27 0.00 -0.49 0.00 0.00 175.26 175.01 2h6l s ALA 124 N 4.52 3.46 0.43 5.21 0.00 -1.26 -4.86 121.76 129.27 2h6l s ALA 124 Ca 0.72 0.93 -0.24 0.00 0.00 0.00 0.00 51.96 53.37 2h6l s ALA 124 Cb -0.29 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.27 2h6l s ALA 124 CO 0.28 -0.51 1.17 -1.25 0.00 0.00 0.00 175.76 175.46 2h6l s PRO 125 N 1.12 3.88 -0.11 0.00 0.04 -1.26 -4.95 135.00 133.73 2h6l s PRO 125 Ca 0.61 1.81 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 2h6l s PRO 125 Cb -0.32 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 2h6l s PRO 125 CO 0.29 -0.46 0.00 -1.21 0.04 0.00 0.00 177.00 175.67 2h6l s GLU 126 N -2.52 3.25 -0.29 4.56 2.02 -1.26 -4.73 118.70 119.72 2h6l s GLU 126 Ca 0.61 -0.42 -0.19 0.00 0.02 0.00 0.00 54.97 54.98 2h6l s GLU 126 Cb -0.30 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.05 2h6l s GLU 126 CO 0.37 0.56 0.58 1.03 0.02 0.00 0.00 175.26 177.81 2h6l s ARG 127 N -0.47 3.96 0.16 1.61 0.52 -1.26 -0.48 118.95 122.99 2h6l s ARG 127 Ca 0.08 0.29 0.09 0.00 -0.52 0.00 0.00 55.73 55.67 2h6l s ARG 127 Cb -0.12 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 2h6l s ARG 127 CO 0.02 -0.48 -0.20 0.00 0.02 0.00 0.00 175.30 174.66 2h6l s ALA 128 N 2.47 2.08 0.22 2.13 0.00 0.14 -4.79 121.76 124.01 2h6l s ALA 128 Ca 0.23 -1.49 -0.32 0.00 0.00 0.00 0.00 51.96 50.39 2h6l s ALA 128 Cb -0.15 -0.22 -0.12 0.00 0.00 0.00 0.00 23.12 22.63 2h6l s ALA 128 CO 0.11 0.29 1.71 0.12 0.00 0.00 0.00 175.76 177.98 2h6l s PHE 129 N -1.87 2.87 -0.24 0.00 5.36 -1.26 -1.57 117.98 121.28 2h6l s PHE 129 Ca 0.15 0.40 -0.03 0.00 -0.96 0.00 0.00 56.93 56.49 2h6l s PHE 129 Cb -0.07 -4.14 0.00 0.00 -0.34 0.00 0.00 43.02 38.48 2h6l s PHE 129 CO 0.07 -4.25 -0.04 0.34 -1.46 0.00 0.00 175.22 169.88 2h6l s ASP 130 N 1.07 4.35 0.12 6.13 2.15 0.27 -4.89 116.67 125.88 2h6l s ASP 130 Ca 0.73 -0.58 -0.21 0.00 0.43 0.00 0.00 52.55 52.92 2h6l s ASP 130 Cb -0.50 -1.72 -0.04 0.00 -0.30 0.00 0.00 42.92 40.36 2h6l s ASP 130 CO 0.35 -0.07 1.69 -0.08 -0.17 0.00 0.00 175.17 176.89 2h6l h GLU 131 N 8.09 -0.09 -0.56 4.34 4.57 -1.94 0.22 114.58 129.23 2h6l h GLU 131 Ca -0.38 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 57.92 2h6l h GLU 131 Cb 1.14 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.64 2h6l h GLU 131 CO 0.60 -0.06 -0.17 0.37 -1.18 0.00 0.00 179.01 178.57 2h6l h GLN 132 N -0.09 -0.04 0.00 1.92 4.15 -1.96 -3.19 115.11 115.91 2h6l h GLN 132 Ca 0.08 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.29 2h6l h GLN 132 Cb 0.21 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 2h6l h GLN 132 CO -0.19 -0.02 -2.22 0.25 -1.93 0.00 0.00 178.83 174.72 2h6l n THR 133 N -5.41 0.78 -0.61 2.39 -2.24 -1.20 -4.98 114.28 103.02 2h6l n THR 133 Ca 0.06 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2h6l n THR 133 Cb 0.31 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2h6l n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h6l n GLY 134 N 1.54 0.78 3.94 3.38 0.00 0.78 -4.80 105.19 110.80 2h6l n GLY 134 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 2h6l n GLY 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h6l n LEU 135 N 0.00 0.00 -4.16 0.99 7.99 -1.24 -4.82 117.00 115.76 2h6l n LEU 135 Ca 0.00 -2.34 -0.39 0.00 -0.01 0.00 0.00 56.01 53.28 2h6l n LEU 135 Cb 0.00 -0.54 -0.08 0.00 -0.11 0.00 0.00 43.42 42.69 2h6l n LEU 135 CO 0.00 -0.85 0.06 -0.36 -1.51 0.00 0.00 177.39 174.73 2h6l s PHE 136 N -2.88 3.49 0.36 -1.77 0.40 -1.26 -0.56 117.98 115.76 2h6l s PHE 136 Ca 0.64 -2.40 0.04 0.00 -0.60 0.00 0.00 56.93 54.61 2h6l s PHE 136 Cb -0.04 -3.36 -0.01 0.00 0.51 0.00 0.00 43.02 40.11 2h6l s PHE 136 CO 0.42 -0.91 0.52 -0.51 0.70 0.00 0.00 175.22 175.44 2h6l s LEU 137 N 0.41 3.92 0.29 -0.37 1.43 -0.61 -4.53 118.68 119.22 2h6l s LEU 137 Ca 0.14 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 2h6l s LEU 137 Cb -0.20 -2.93 -0.10 0.00 0.03 0.00 0.00 46.19 42.99 2h6l s LEU 137 CO -0.04 -0.46 1.38 0.26 0.23 0.00 0.00 176.35 177.72 2h6l s TRP 138 N -2.28 3.01 0.00 0.29 0.51 -1.26 -0.68 118.94 118.54 2h6l s TRP 138 Ca 0.44 1.22 -0.02 0.00 -2.12 0.00 0.00 56.10 55.62 2h6l s TRP 138 Cb -0.10 -3.76 -0.01 0.00 -0.81 0.00 0.00 33.47 28.79 2h6l s TRP 138 CO 0.33 -2.30 -0.04 -0.11 -0.51 0.00 0.00 176.95 174.32 2h6l n LEU 139 N 1.55 0.47 0.00 2.99 7.94 0.37 -4.88 117.00 125.45 2h6l n LEU 139 Ca 0.03 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 2h6l n LEU 139 Cb 0.41 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 44.09 2h6l n LEU 139 CO 0.60 -0.53 0.00 1.21 -1.11 0.00 0.00 177.39 177.56