#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ae6 s LEU 5 N 0.00 4.21 -0.13 -3.43 1.98 -1.26 -2.34 118.68 117.71 2ae6 s LEU 5 Ca 0.00 0.26 0.02 0.00 -2.89 0.00 0.00 54.13 51.52 2ae6 s LEU 5 Cb 0.00 -2.83 0.01 0.00 0.66 0.00 0.00 46.19 44.03 2ae6 s LEU 5 CO 0.00 -0.58 -0.18 -0.89 -1.89 0.00 0.00 176.35 172.81 2ae6 s THR 6 N 2.73 1.78 -0.19 3.68 2.01 0.72 -4.96 115.64 121.42 2ae6 s THR 6 Ca 0.26 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.41 2ae6 s THR 6 Cb -0.14 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 2ae6 s THR 6 CO 0.14 0.50 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.91 2ae6 s ILE 7 N 0.98 3.73 0.24 1.82 1.01 -1.26 -0.15 121.20 127.57 2ae6 s ILE 7 Ca -0.05 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 2ae6 s ILE 7 Cb -0.15 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 2ae6 s ILE 7 CO -0.03 0.44 0.41 0.00 0.00 0.00 0.00 174.94 175.76 2ae6 s ARG 8 N 0.99 1.49 0.78 2.79 1.70 -0.97 -4.97 118.95 120.77 2ae6 s ARG 8 Ca 0.01 -1.34 -0.11 0.00 -0.47 0.00 0.00 55.73 53.82 2ae6 s ARG 8 Cb -0.14 0.43 0.06 0.00 -0.57 0.00 0.00 34.95 34.73 2ae6 s ARG 8 CO 0.01 -0.60 1.08 -0.48 -1.08 0.00 0.00 175.30 174.23 2ae6 s LEU 9 N -3.05 2.78 0.44 -1.89 2.34 -1.26 -0.00 118.68 118.04 2ae6 s LEU 9 Ca 0.26 1.53 -0.25 0.00 0.06 0.00 0.00 54.13 55.72 2ae6 s LEU 9 Cb 0.01 -4.20 -0.08 0.00 -0.56 0.00 0.00 46.19 41.36 2ae6 s LEU 9 CO 0.10 -1.94 1.36 0.54 -1.06 0.00 0.00 176.35 175.35 2ae6 s VAL 10 N -3.04 2.32 0.30 1.48 0.11 -0.56 -4.68 120.40 116.34 2ae6 s VAL 10 Ca 0.60 0.28 0.06 0.00 -2.93 0.00 0.00 61.98 60.00 2ae6 s VAL 10 Cb -0.15 -3.16 -0.06 0.00 -1.53 0.00 0.00 36.38 31.47 2ae6 s VAL 10 CO 0.55 0.04 -0.03 0.00 -3.33 0.00 0.00 175.10 172.32 2ae6 s ALA 11 N -1.25 2.46 0.63 1.54 0.00 -1.26 -5.04 121.76 118.85 2ae6 s ALA 11 Ca 0.60 -1.98 0.38 0.00 0.00 0.00 0.00 51.96 50.96 2ae6 s ALA 11 Cb -0.41 0.26 2.16 0.00 0.00 0.00 0.00 23.12 25.13 2ae6 s ALA 11 CO 0.52 -0.11 2.32 1.05 0.00 0.00 0.00 175.76 179.54 2ae6 h GLU 12 N 2.19 0.00 0.00 0.00 4.11 -2.03 -1.26 114.58 117.58 2ae6 h GLU 12 Ca -0.41 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.93 2ae6 h GLU 12 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2ae6 h GLU 12 CO 0.69 0.00 -0.47 0.00 0.07 0.00 0.00 179.01 179.31 2ae6 h ALA 13 N 1.99 1.19 0.00 1.06 0.00 -2.02 -3.29 119.26 118.20 2ae6 h ALA 13 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2ae6 h ALA 13 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2ae6 h ALA 13 CO -0.00 0.58 -0.21 -0.44 0.00 0.00 0.00 179.25 179.18 2ae6 h ASP 14 N 0.00 0.00 -0.98 0.00 3.32 -1.63 -3.39 116.42 113.73 2ae6 h ASP 14 Ca -0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.07 2ae6 h ASP 14 Cb 0.84 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 2ae6 h ASP 14 CO 0.06 0.21 0.65 -0.50 -1.72 0.00 0.00 179.24 177.93 2ae6 h TRP 15 N 0.00 1.22 -0.15 4.55 4.06 -1.65 0.11 115.95 124.09 2ae6 h TRP 15 Ca -0.00 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 60.85 2ae6 h TRP 15 Cb 1.15 -0.41 -0.01 0.00 -1.00 0.00 0.00 29.16 28.89 2ae6 h TRP 15 CO 0.00 0.73 -0.45 -1.00 -3.56 0.00 0.00 178.44 174.16 2ae6 h PRO 16 N 1.28 0.36 -0.01 0.49 0.13 -1.84 -1.18 132.00 131.21 2ae6 h PRO 16 Ca 0.38 -0.19 -0.18 0.00 -0.87 0.00 0.00 66.00 65.14 2ae6 h PRO 16 Cb -0.05 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.07 2ae6 h PRO 16 CO -0.11 0.74 -0.80 0.00 -0.23 0.00 0.00 178.00 177.60 2ae6 h ALA 17 N 1.24 0.62 -0.00 -0.56 0.00 -1.71 -3.23 119.26 115.62 2ae6 h ALA 17 Ca 0.02 -0.68 -0.17 0.00 0.00 0.00 0.00 54.91 54.08 2ae6 h ALA 17 Cb 0.91 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2ae6 h ALA 17 CO 0.08 0.88 -0.78 1.25 0.00 0.00 0.00 179.25 180.68 2ae6 h LEU 18 N 0.10 0.06 -1.13 0.00 5.85 -0.72 -3.08 115.31 116.39 2ae6 h LEU 18 Ca -0.03 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 2ae6 h LEU 18 Cb 1.40 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2ae6 h LEU 18 CO 0.12 0.81 -0.28 -0.74 -0.34 0.00 0.00 178.44 178.01 2ae6 h HIS 19 N 0.03 0.29 -0.05 1.25 2.76 -1.28 -2.83 115.15 115.33 2ae6 h HIS 19 Ca -0.01 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.00 2ae6 h HIS 19 Cb 1.38 -0.07 0.01 0.00 1.55 0.00 0.00 27.41 30.27 2ae6 h HIS 19 CO 0.01 0.52 -0.35 0.00 -1.30 0.00 0.00 177.93 176.81 2ae6 h ALA 20 N 1.48 0.10 0.00 5.26 0.00 -1.57 -3.10 119.26 121.44 2ae6 h ALA 20 Ca 0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2ae6 h ALA 20 Cb 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ae6 h ALA 20 CO 0.04 0.19 -0.05 1.25 0.00 0.00 0.00 179.25 180.68 2ae6 h LEU 21 N -0.21 0.00 -0.45 0.00 6.46 -1.57 -1.42 115.31 118.12 2ae6 h LEU 21 Ca -0.03 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.55 2ae6 h LEU 21 Cb 1.03 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 2ae6 h LEU 21 CO 0.07 0.05 -0.70 -0.78 -0.62 0.00 0.00 178.44 176.46 2ae6 h ASP 22 N 0.00 0.44 -0.31 1.25 1.82 -1.50 -3.18 116.42 114.94 2ae6 h ASP 22 Ca -0.00 -0.28 -0.08 0.00 -0.39 0.00 0.00 57.03 56.28 2ae6 h ASP 22 Cb 0.22 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 2ae6 h ASP 22 CO 0.01 1.01 -0.07 -0.61 -1.61 0.00 0.00 179.24 177.97 2ae6 h GLN 23 N 0.26 0.70 -0.00 0.28 5.75 -1.18 -2.57 115.11 118.35 2ae6 h GLN 23 Ca -0.02 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 2ae6 h GLN 23 Cb 1.27 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.75 2ae6 h GLN 23 CO 0.12 0.76 -0.08 -0.89 -2.65 0.00 0.00 178.83 176.09 2ae6 n ILE 24 N -4.20 0.00 -3.56 2.39 5.41 -1.18 -5.14 119.36 113.08 2ae6 n ILE 24 Ca 0.02 -0.02 -0.17 0.00 1.00 0.00 0.00 62.75 63.57 2ae6 n ILE 24 Cb 0.32 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 2ae6 n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ae6 n ILE 25 N -1.21 -5.56 0.00 1.39 0.00 -0.97 -5.08 119.36 107.92 2ae6 n ILE 25 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 62.75 62.76 2ae6 n ILE 25 Cb 0.28 -4.23 0.00 0.00 0.00 0.00 0.00 39.64 35.68 2ae6 n ILE 25 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2ae6 n SER 39 N -2.36 0.00 0.09 9.51 2.88 -1.26 -4.74 113.62 117.74 2ae6 n SER 39 Ca -0.21 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.25 2ae6 n SER 39 Cb 0.63 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.08 2ae6 n SER 39 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2ae6 h LEU 40 N 0.00 0.15 0.00 2.46 5.85 -2.00 -1.80 115.31 119.98 2ae6 h LEU 40 Ca 0.00 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 2ae6 h LEU 40 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2ae6 h LEU 40 CO 0.00 0.95 -1.12 0.00 -0.34 0.00 0.00 178.44 177.94 2ae6 h ALA 41 N 1.03 0.60 -0.03 1.25 0.00 -2.02 -3.27 119.26 116.81 2ae6 h ALA 41 Ca -0.03 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 2ae6 h ALA 41 Cb 1.52 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2ae6 h ALA 41 CO 0.13 0.43 -0.78 0.00 0.00 0.00 0.00 179.25 179.03 2ae6 h ALA 42 N 1.72 0.60 -0.04 0.00 0.00 -1.98 -3.14 119.26 116.43 2ae6 h ALA 42 Ca -0.07 -0.65 -0.25 0.00 0.00 0.00 0.00 54.91 53.94 2ae6 h ALA 42 Cb 1.28 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.01 2ae6 h ALA 42 CO 0.02 0.82 -0.97 -0.92 0.00 0.00 0.00 179.25 178.21 2ae6 h TYR 43 N 0.18 1.00 0.00 0.00 3.20 -1.45 -2.80 116.97 117.09 2ae6 h TYR 43 Ca -0.04 -0.52 0.00 0.00 3.14 0.00 0.00 58.73 61.32 2ae6 h TYR 43 Cb 1.37 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2ae6 h TYR 43 CO 0.03 1.35 0.00 1.04 -1.64 0.00 0.00 178.16 178.94 2ae6 n GLN 44 N -3.86 0.17 0.00 1.82 6.02 -1.23 -2.26 117.38 118.04 2ae6 n GLN 44 Ca -0.10 0.38 0.11 0.00 -0.01 0.00 0.00 57.00 57.38 2ae6 n GLN 44 Cb 0.84 -1.81 0.01 0.00 1.02 0.00 0.00 30.24 30.30 2ae6 n GLN 44 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2ae6 n GLU 45 N -2.12 0.10 -0.92 -1.09 1.02 -1.17 -3.14 120.64 113.32 2ae6 n GLU 45 Ca 0.03 -0.08 0.01 0.00 -0.02 0.00 0.00 57.16 57.10 2ae6 n GLU 45 Cb 0.23 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 30.50 2ae6 n GLU 45 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2ae6 n LYS 46 N -1.38 4.12 0.00 3.49 4.81 -0.96 -4.90 118.16 123.34 2ae6 n LYS 46 Ca 0.05 -3.11 0.00 0.00 -0.87 0.00 0.00 58.31 54.38 2ae6 n LYS 46 Cb 0.34 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.19 2ae6 n LYS 46 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2ae6 n LYS 48 N 0.11 0.00 0.04 1.64 2.85 -1.19 -4.74 118.16 116.87 2ae6 n LYS 48 Ca 0.34 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.72 2ae6 n LYS 48 Cb 1.26 0.00 0.36 0.00 -0.65 0.00 0.00 35.03 36.01 2ae6 n LYS 48 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2ae6 n ASP 49 N 2.27 0.48 -4.77 -5.58 8.00 -1.26 -4.95 116.55 110.74 2ae6 n ASP 49 Ca 0.00 0.22 -0.38 0.00 0.71 0.00 0.00 54.79 55.34 2ae6 n ASP 49 Cb 0.00 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.91 2ae6 n ASP 49 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ae6 s GLU 50 N -3.06 3.86 -0.47 -1.24 8.01 -1.26 -4.99 118.70 119.55 2ae6 s GLU 50 Ca 0.11 1.90 -0.26 0.00 0.01 0.00 0.00 54.97 56.73 2ae6 s GLU 50 Cb 0.16 -2.56 0.03 0.00 -4.31 0.00 0.00 34.13 27.44 2ae6 s GLU 50 CO 0.64 -0.50 0.98 0.99 0.01 0.00 0.00 175.26 177.37 2ae6 s THR 51 N -1.42 4.40 -0.06 3.63 2.01 -1.26 -5.00 115.64 117.93 2ae6 s THR 51 Ca 0.60 0.84 0.00 0.00 0.31 0.00 0.00 61.69 63.44 2ae6 s THR 51 Cb -0.32 -4.48 0.02 0.00 0.01 0.00 0.00 72.50 67.73 2ae6 s THR 51 CO 0.40 -0.89 -0.04 -0.63 -0.69 0.00 0.00 174.62 172.76 2ae6 s ILE 52 N 3.94 0.59 -0.09 1.82 1.01 -1.26 -2.54 121.20 124.66 2ae6 s ILE 52 Ca 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.93 2ae6 s ILE 52 Cb -0.09 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 2ae6 s ILE 52 CO 0.27 0.26 -0.01 -0.36 0.00 0.00 0.00 174.94 175.11 2ae6 s PHE 53 N 1.28 3.14 -0.03 3.97 0.40 -0.40 -1.49 117.98 124.84 2ae6 s PHE 53 Ca -0.05 0.17 0.07 0.00 -0.60 0.00 0.00 56.93 56.52 2ae6 s PHE 53 Cb -0.14 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 2ae6 s PHE 53 CO -0.02 0.45 -0.24 0.08 0.70 0.00 0.00 175.22 176.18 2ae6 s VAL 54 N -0.85 1.94 -0.15 -0.44 1.01 1.00 -1.07 120.40 121.83 2ae6 s VAL 54 Ca 0.13 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 2ae6 s VAL 54 Cb -0.11 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 2ae6 s VAL 54 CO 0.02 0.55 0.25 0.00 0.00 0.00 0.00 175.10 175.92 2ae6 s ALA 55 N -0.40 3.66 -0.20 5.51 0.00 0.12 -2.28 121.76 128.17 2ae6 s ALA 55 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2ae6 s ALA 55 Cb -0.11 -2.29 0.05 0.00 0.00 0.00 0.00 23.12 20.77 2ae6 s ALA 55 CO 0.01 0.22 -0.06 0.42 0.00 0.00 0.00 175.76 176.34 2ae6 s ILE 56 N 0.09 1.37 -0.28 0.00 -1.09 0.79 -0.42 121.20 121.66 2ae6 s ILE 56 Ca 0.15 -0.92 -0.06 0.00 -2.23 0.00 0.00 60.65 57.58 2ae6 s ILE 56 Cb -0.13 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 2ae6 s ILE 56 CO 0.04 0.05 0.06 -0.55 -1.23 0.00 0.00 174.94 173.31 2ae6 s SER 57 N 1.50 5.03 1.46 3.58 0.15 -0.02 -0.20 113.70 125.20 2ae6 s SER 57 Ca -0.02 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.01 2ae6 s SER 57 Cb -0.17 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2ae6 s SER 57 CO -0.07 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2ae6 n GLY 58 N 4.86 2.74 1.77 9.45 0.00 -0.99 -2.04 105.19 120.99 2ae6 n GLY 58 Ca -0.15 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 2ae6 n GLY 58 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ae6 n GLN 59 N 9.21 2.46 -5.15 1.61 7.27 -1.26 -4.96 117.38 126.55 2ae6 n GLN 59 Ca 0.00 -3.65 -0.29 0.00 0.07 0.00 0.00 57.00 53.13 2ae6 n GLN 59 Cb 0.00 -1.79 -0.16 0.00 2.41 0.00 0.00 30.24 30.70 2ae6 n GLN 59 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2ae6 s GLN 60 N -3.23 1.90 -0.66 3.69 0.74 -0.87 -5.09 119.66 116.15 2ae6 s GLN 60 Ca 0.42 -0.86 -0.26 0.00 0.05 0.00 0.00 55.36 54.70 2ae6 s GLN 60 Cb 0.38 -1.85 -0.02 0.00 1.10 0.00 0.00 33.01 32.62 2ae6 s GLN 60 CO -0.02 0.51 1.79 -1.17 -0.55 0.00 0.00 175.29 175.85 2ae6 s LEU 61 N -0.61 3.26 0.15 3.68 2.96 -1.26 -0.84 118.68 126.02 2ae6 s LEU 61 Ca 0.09 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2ae6 s LEU 61 Cb -0.09 -2.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.99 2ae6 s LEU 61 CO -0.01 -2.33 1.34 0.00 -1.32 0.00 0.00 176.35 174.03 2ae6 h ALA 62 N 13.96 0.46 0.00 5.97 0.00 -1.08 -3.45 119.26 135.13 2ae6 h ALA 62 Ca -0.22 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2ae6 h ALA 62 Cb 1.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ae6 h ALA 62 CO 1.23 1.03 0.00 0.41 0.00 0.00 0.00 179.25 181.92 2ae6 n GLY 63 N 1.05 -1.26 3.65 0.00 0.00 -1.21 -0.71 105.19 106.72 2ae6 n GLY 63 Ca -0.02 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 2ae6 n GLY 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ae6 s PHE 64 N -2.97 -0.33 -0.05 1.61 -0.12 0.77 0.11 117.98 117.01 2ae6 s PHE 64 Ca 0.00 -0.02 -0.02 0.00 -0.05 0.00 0.00 56.93 56.84 2ae6 s PHE 64 Cb 0.00 0.62 0.04 0.00 -0.63 0.00 0.00 43.02 43.05 2ae6 s PHE 64 CO 0.00 -1.05 0.10 -1.50 -0.05 0.00 0.00 175.22 172.72 2ae6 s ILE 65 N -3.85 -0.08 -0.06 -4.49 2.07 -0.24 -1.30 121.20 113.25 2ae6 s ILE 65 Ca 0.07 0.23 0.03 0.00 -1.41 0.00 0.00 60.65 59.58 2ae6 s ILE 65 Cb -0.04 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.35 2ae6 s ILE 65 CO -0.02 0.10 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.25 2ae6 s GLU 66 N 1.35 2.66 -0.02 3.50 -6.30 0.92 -1.28 118.70 119.54 2ae6 s GLU 66 Ca -0.07 -0.72 0.03 0.00 -2.50 0.00 0.00 54.97 51.72 2ae6 s GLU 66 Cb -0.12 -2.39 -0.00 0.00 0.00 0.00 0.00 34.13 31.61 2ae6 s GLU 66 CO -0.05 0.52 -0.12 0.14 0.02 0.00 0.00 175.26 175.77 2ae6 s VAL 67 N -0.47 0.98 0.05 3.70 -7.23 -1.05 -0.57 120.40 115.81 2ae6 s VAL 67 Ca 0.06 -0.50 -0.13 0.00 -1.81 0.00 0.00 61.98 59.60 2ae6 s VAL 67 Cb -0.12 -0.84 0.02 0.00 0.56 0.00 0.00 36.38 36.00 2ae6 s VAL 67 CO 0.02 0.29 0.29 -1.38 -0.31 0.00 0.00 175.10 174.01 2ae6 s HIS 68 N -0.06 -0.07 0.59 2.82 -3.43 -1.04 -4.27 115.29 109.83 2ae6 s HIS 68 Ca 0.00 -0.11 -0.19 0.00 -0.80 0.00 0.00 55.06 53.97 2ae6 s HIS 68 Cb -0.07 0.08 -0.05 0.00 -1.43 0.00 0.00 32.58 31.11 2ae6 s HIS 68 CO 0.00 -0.51 1.06 -2.30 -2.00 0.00 0.00 174.74 170.99 2ae6 n PRO 69 N 0.48 1.06 -0.19 -0.38 -0.02 -1.25 -0.09 135.00 134.61 2ae6 n PRO 69 Ca -0.18 0.41 -0.01 0.00 -2.02 0.00 0.00 63.50 61.69 2ae6 n PRO 69 Cb 0.60 -2.26 0.21 0.00 -0.02 0.00 0.00 33.50 32.03 2ae6 n PRO 69 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2ae6 h PRO 70 N 0.69 0.94 -4.77 0.52 0.13 -1.79 -3.44 132.00 124.29 2ae6 h PRO 70 Ca -0.49 -0.12 -0.37 0.00 -0.87 0.00 0.00 66.00 64.15 2ae6 h PRO 70 Cb 1.35 -0.18 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 2ae6 h PRO 70 CO 0.52 0.72 -0.55 0.95 -0.23 0.00 0.00 178.00 179.41 2ae6 s THR 71 N -5.56 0.00 -1.38 1.56 -4.23 -1.26 -5.05 115.64 99.72 2ae6 s THR 71 Ca -0.11 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.62 2ae6 s THR 71 Cb 0.17 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.85 2ae6 s THR 71 CO 0.79 0.00 1.68 -1.20 -0.54 0.00 0.00 174.62 175.35 2ae6 n SER 72 N -1.00 0.00 -4.74 3.99 7.64 -1.26 -4.79 113.62 113.46 2ae6 n SER 72 Ca 0.05 0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.56 2ae6 n SER 72 Cb 0.64 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 2ae6 n SER 72 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ae6 n LEU 73 N -1.31 4.22 -0.22 -3.43 4.32 -1.26 -4.90 117.00 114.42 2ae6 n LEU 73 Ca 0.09 1.12 0.01 0.00 -0.02 0.00 0.00 56.01 57.22 2ae6 n LEU 73 Cb 0.18 -1.58 0.13 0.00 -1.62 0.00 0.00 43.42 40.52 2ae6 n LEU 73 CO 0.17 0.14 1.00 0.00 -1.22 0.00 0.00 177.39 177.47 2ae6 h ALA 74 N 5.28 0.86 0.00 -1.18 0.00 -2.02 -1.81 119.26 120.38 2ae6 h ALA 74 Ca -0.46 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2ae6 h ALA 74 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ae6 h ALA 74 CO 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.90 2ae6 n ALA 75 N -2.48 1.23 0.52 0.00 0.00 -1.26 -2.05 120.51 116.46 2ae6 n ALA 75 Ca 0.10 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.76 2ae6 n ALA 75 Cb 0.30 -1.25 0.18 0.00 0.00 0.00 0.00 19.45 18.69 2ae6 n ALA 75 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2ae6 n HIS 76 N -1.99 0.34 1.84 0.00 -0.00 -0.68 -4.57 115.22 110.17 2ae6 n HIS 76 Ca 0.00 -0.17 0.16 0.00 -0.00 0.00 0.00 57.72 57.70 2ae6 n HIS 76 Cb 0.08 -0.00 0.85 0.00 -0.00 0.00 0.00 29.99 30.92 2ae6 n HIS 76 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2ae6 n GLN 77 N 1.46 1.03 -0.91 -0.41 1.13 -0.87 -2.66 117.38 116.14 2ae6 n GLN 77 Ca 0.18 -0.15 -0.02 0.00 -1.94 0.00 0.00 57.00 55.06 2ae6 n GLN 77 Cb 0.61 -1.50 0.30 0.00 0.11 0.00 0.00 30.24 29.77 2ae6 n GLN 77 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2ae6 n LYS 78 N -0.85 3.62 -4.33 -1.09 5.02 -1.26 -4.92 118.16 114.34 2ae6 n LYS 78 Ca 0.22 -3.08 -0.18 0.00 -2.02 0.00 0.00 58.31 53.25 2ae6 n LYS 78 Cb 0.17 -2.14 -0.14 0.00 -0.02 0.00 0.00 35.03 32.89 2ae6 n LYS 78 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2ae6 s GLN 79 N -2.97 0.72 -0.18 1.97 0.74 -1.09 -0.63 119.66 118.21 2ae6 s GLN 79 Ca 0.53 -0.40 -0.03 0.00 0.05 0.00 0.00 55.36 55.51 2ae6 s GLN 79 Cb 0.42 -0.68 -0.01 0.00 1.10 0.00 0.00 33.01 33.84 2ae6 s GLN 79 CO 0.12 0.18 -0.08 -1.58 -0.55 0.00 0.00 175.29 173.39 2ae6 s TRP 80 N -0.37 2.91 -0.18 1.67 0.51 -0.41 -3.84 118.94 119.24 2ae6 s TRP 80 Ca 0.02 -0.82 -0.27 0.00 -2.12 0.00 0.00 56.10 52.91 2ae6 s TRP 80 Cb -0.04 -2.00 -0.01 0.00 -0.81 0.00 0.00 33.47 30.61 2ae6 s TRP 80 CO -0.00 -0.41 0.93 -1.17 -0.51 0.00 0.00 176.95 175.80 2ae6 s LEU 81 N 1.02 4.16 0.11 2.99 0.20 0.87 -0.92 118.68 127.12 2ae6 s LEU 81 Ca -0.00 1.31 0.06 0.00 0.69 0.00 0.00 54.13 56.19 2ae6 s LEU 81 Cb -0.15 -3.40 -0.04 0.00 -0.43 0.00 0.00 46.19 42.17 2ae6 s LEU 81 CO -0.01 -0.50 -0.03 -1.48 -0.29 0.00 0.00 176.35 174.05 2ae6 s LEU 82 N 2.46 3.31 -0.07 -0.68 0.05 -0.49 -2.49 118.68 120.78 2ae6 s LEU 82 Ca 0.42 -0.29 -0.01 0.00 0.05 0.00 0.00 54.13 54.31 2ae6 s LEU 82 Cb -0.16 -2.04 0.03 0.00 -2.05 0.00 0.00 46.19 41.96 2ae6 s LEU 82 CO 0.12 0.16 -0.01 -0.55 -0.55 0.00 0.00 176.35 175.51 2ae6 s SER 83 N -2.42 1.50 -0.12 1.48 0.15 0.26 -4.79 113.70 109.76 2ae6 s SER 83 Ca 0.25 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.81 2ae6 s SER 83 Cb -0.11 -0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 63.73 2ae6 s SER 83 CO 0.17 -0.16 -0.19 -0.63 1.20 0.00 0.00 173.24 173.62 2ae6 s ILE 84 N 1.76 2.43 -0.09 6.45 1.01 -1.26 -0.05 121.20 131.44 2ae6 s ILE 84 Ca 0.02 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2ae6 s ILE 84 Cb -0.13 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.37 2ae6 s ILE 84 CO -0.05 0.54 -0.19 -0.83 0.00 0.00 0.00 174.94 174.42 2ae6 s GLY 85 N 0.47 1.12 -0.09 6.18 0.00 -0.42 -5.00 107.32 109.57 2ae6 s GLY 85 Ca -0.13 -0.76 0.03 0.00 0.00 0.00 0.00 44.72 43.85 2ae6 s GLY 85 CO 0.06 -0.10 -0.19 0.14 0.00 0.00 0.00 173.10 173.00 2ae6 s VAL 86 N 0.55 1.70 0.35 1.40 1.01 -1.26 -0.17 120.40 123.98 2ae6 s VAL 86 Ca -0.16 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 2ae6 s VAL 86 Cb -0.17 -1.50 -0.11 0.00 0.00 0.00 0.00 36.38 34.60 2ae6 s VAL 86 CO 0.05 0.48 1.48 -0.24 0.00 0.00 0.00 175.10 176.88 2ae6 n SER 87 N 3.71 3.63 -0.35 3.32 2.88 0.11 -4.91 113.62 122.02 2ae6 n SER 87 Ca -0.20 1.20 0.23 0.00 -1.33 0.00 0.00 58.87 58.77 2ae6 n SER 87 Cb 0.52 -1.59 0.47 0.00 -0.75 0.00 0.00 64.21 62.87 2ae6 n SER 87 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2ae6 h PRO 88 N 3.37 0.40 -0.12 -1.46 0.11 -1.95 -1.41 132.00 130.93 2ae6 h PRO 88 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2ae6 h PRO 88 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2ae6 h PRO 88 CO 0.68 0.26 0.00 -0.25 -0.21 0.00 0.00 178.00 178.48 2ae6 n ASP 89 N -4.81 1.28 -1.56 -2.05 8.00 -1.26 -4.05 116.55 112.10 2ae6 n ASP 89 Ca 0.29 -1.62 -0.04 0.00 0.71 0.00 0.00 54.79 54.12 2ae6 n ASP 89 Cb 0.91 -0.07 0.09 0.00 -0.02 0.00 0.00 41.12 42.03 2ae6 n ASP 89 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2ae6 n PHE 90 N 0.06 0.97 -1.59 1.24 3.01 -0.53 -5.08 117.46 115.53 2ae6 n PHE 90 Ca 0.16 -1.59 -0.31 0.00 1.01 0.00 0.00 57.45 56.72 2ae6 n PHE 90 Cb 0.27 -0.25 0.06 0.00 -0.01 0.00 0.00 39.48 39.55 2ae6 n PHE 90 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2ae6 s GLN 91 N -2.75 2.77 0.00 -1.08 2.00 -1.24 -3.73 119.66 115.63 2ae6 s GLN 91 Ca 0.39 0.86 0.00 0.00 -2.00 0.00 0.00 55.36 54.61 2ae6 s GLN 91 Cb 0.38 -1.98 0.00 0.00 0.80 0.00 0.00 33.01 32.21 2ae6 s GLN 91 CO -0.06 -1.19 0.00 -0.25 -0.50 0.00 0.00 175.29 173.29 2ae6 n ASP 92 N -3.18 0.00 -0.43 6.67 10.43 -1.26 -4.77 116.55 124.01 2ae6 n ASP 92 Ca 0.07 0.00 0.10 0.00 2.57 0.00 0.00 54.79 57.53 2ae6 n ASP 92 Cb 0.54 -2.27 0.40 0.00 1.84 0.00 0.00 41.12 41.63 2ae6 n ASP 92 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2ae6 n GLN 93 N -2.00 1.56 -2.27 -1.24 6.02 -1.24 -4.92 117.38 113.28 2ae6 n GLN 93 Ca 0.00 -0.84 -0.14 0.00 -0.01 0.00 0.00 57.00 56.01 2ae6 n GLN 93 Cb 0.00 -1.36 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 2ae6 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ae6 n GLY 94 N 1.04 -0.20 0.19 1.08 0.00 -1.26 -4.94 105.19 101.10 2ae6 n GLY 94 Ca 0.15 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 2ae6 n GLY 94 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ae6 h ILE 95 N -0.02 1.18 0.08 -0.61 1.08 -1.91 -2.45 117.51 114.86 2ae6 h ILE 95 Ca -0.33 -0.52 0.01 0.00 -0.39 0.00 0.00 64.86 63.63 2ae6 h ILE 95 Cb 1.24 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 2ae6 h ILE 95 CO 0.39 0.19 -0.14 1.23 -0.69 0.00 0.00 178.15 179.14 2ae6 h GLY 96 N 0.52 -0.24 1.18 5.37 0.00 -1.93 -1.62 103.07 106.35 2ae6 h GLY 96 Ca 0.14 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.66 2ae6 h GLY 96 CO -0.02 -0.14 0.48 -1.33 0.00 0.00 0.00 176.54 175.53 2ae6 h GLY 97 N -0.27 1.00 0.95 4.60 0.00 -1.96 -0.07 103.07 107.32 2ae6 h GLY 97 Ca 0.02 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 2ae6 h GLY 97 CO -0.08 0.30 -0.27 1.76 0.00 0.00 0.00 176.54 178.25 2ae6 h SER 98 N 0.88 0.72 -0.16 0.19 0.02 -1.21 -0.71 113.55 113.28 2ae6 h SER 98 Ca 0.29 -0.47 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2ae6 h SER 98 Cb 0.06 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2ae6 h SER 98 CO -0.08 1.05 0.06 -0.07 -1.14 0.00 0.00 176.83 176.65 2ae6 h LEU 99 N 0.41 0.08 -0.21 5.07 4.07 -0.92 -1.10 115.31 122.71 2ae6 h LEU 99 Ca 0.04 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 2ae6 h LEU 99 Cb 0.84 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 2ae6 h LEU 99 CO 0.07 0.07 0.05 0.25 -1.08 0.00 0.00 178.44 177.80 2ae6 h LEU 100 N 0.14 0.31 -1.20 1.67 5.85 -1.01 -1.50 115.31 119.58 2ae6 h LEU 100 Ca 0.07 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2ae6 h LEU 100 Cb 0.03 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2ae6 h LEU 100 CO -0.06 0.47 0.39 -1.28 -0.34 0.00 0.00 178.44 177.62 2ae6 h SER 101 N 0.15 0.84 -0.27 1.25 0.87 -1.12 -1.68 113.55 113.58 2ae6 h SER 101 Ca 0.06 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2ae6 h SER 101 Cb 0.28 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2ae6 h SER 101 CO 0.00 0.66 0.13 0.22 -0.53 0.00 0.00 176.83 177.32 2ae6 h TYR 102 N 0.96 0.39 0.00 2.24 3.20 -0.96 -2.95 116.97 119.85 2ae6 h TYR 102 Ca 0.25 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.03 2ae6 h TYR 102 Cb -0.00 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2ae6 h TYR 102 CO 0.00 0.36 -0.34 0.97 -1.64 0.00 0.00 178.16 177.52 2ae6 h ILE 103 N 0.31 1.17 -0.59 1.81 6.09 -0.81 -2.49 117.51 122.99 2ae6 h ILE 103 Ca 0.09 -1.19 -0.06 0.00 -1.37 0.00 0.00 64.86 62.34 2ae6 h ILE 103 Cb 0.11 1.65 -0.03 0.00 0.47 0.00 0.00 36.82 39.03 2ae6 h ILE 103 CO -0.01 0.33 0.12 0.11 -3.07 0.00 0.00 178.15 175.63 2ae6 h LYS 104 N 0.00 0.94 -0.72 2.19 1.57 -1.22 0.12 116.57 119.46 2ae6 h LYS 104 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2ae6 h LYS 104 Cb 0.63 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2ae6 h LYS 104 CO 0.04 0.86 0.00 -0.25 -0.57 0.00 0.00 179.45 179.53 2ae6 n ASP 105 N -4.24 0.62 0.00 0.86 10.43 -0.94 -2.43 116.55 120.85 2ae6 n ASP 105 Ca 0.04 -0.81 0.00 0.00 2.57 0.00 0.00 54.79 56.59 2ae6 n ASP 105 Cb 0.26 -0.20 0.00 0.00 1.84 0.00 0.00 41.12 43.01 2ae6 n ASP 105 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2ae6 n ALA 107 N 0.43 0.00 -0.29 2.24 0.00 0.43 -2.68 120.51 120.63 2ae6 n ALA 107 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2ae6 n ALA 107 Cb 0.13 0.00 0.31 0.00 0.00 0.00 0.00 19.45 19.89 2ae6 n ALA 107 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ae6 h GLU 108 N 0.00 0.83 0.00 0.00 4.81 -1.67 0.64 114.58 119.18 2ae6 h GLU 108 Ca 0.00 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 2ae6 h GLU 108 Cb 0.00 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 2ae6 h GLU 108 CO 0.00 0.55 -1.21 -0.84 -0.73 0.00 0.00 179.01 176.78 2ae6 h ILE 109 N 0.85 0.97 0.00 2.32 -0.00 -1.82 -3.33 117.51 116.50 2ae6 h ILE 109 Ca 0.44 -2.59 0.00 0.00 -0.00 0.00 0.00 64.86 62.70 2ae6 h ILE 109 Cb 0.51 2.42 0.00 0.00 -0.00 0.00 0.00 36.82 39.75 2ae6 h ILE 109 CO -0.20 0.55 0.00 -1.20 -0.00 0.00 0.00 178.15 177.30 2ae6 n SER 110 N -3.11 0.00 0.00 2.16 7.64 -0.84 -4.88 113.62 114.59 2ae6 n SER 110 Ca -0.07 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.51 2ae6 n SER 110 Cb 0.90 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 2ae6 n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ae6 n GLY 111 N 1.09 0.44 3.70 0.23 0.00 -0.84 -5.03 105.19 104.79 2ae6 n GLY 111 Ca 0.15 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2ae6 n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ae6 s ILE 112 N -2.00 4.85 -0.12 -0.61 -1.09 0.16 -4.86 121.20 117.53 2ae6 s ILE 112 Ca 0.00 2.04 0.11 0.00 -2.23 0.00 0.00 60.65 60.57 2ae6 s ILE 112 Cb 0.00 -4.31 -0.24 0.00 -1.58 0.00 0.00 42.46 36.33 2ae6 s ILE 112 CO 0.00 0.11 0.38 1.57 -1.23 0.00 0.00 174.94 175.78 2ae6 n HIS 113 N 4.24 0.66 -3.85 3.97 -0.00 0.19 -4.36 115.22 116.08 2ae6 n HIS 113 Ca 0.07 0.22 -0.12 0.00 -0.00 0.00 0.00 57.72 57.88 2ae6 n HIS 113 Cb 0.50 -1.11 -0.14 0.00 -0.00 0.00 0.00 29.99 29.24 2ae6 n HIS 113 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2ae6 s LYS 114 N -2.55 0.03 -0.03 1.57 2.20 -1.04 -1.73 119.74 118.19 2ae6 s LYS 114 Ca -0.11 0.06 0.05 0.00 -0.36 0.00 0.00 55.97 55.61 2ae6 s LYS 114 Cb 0.07 0.00 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 2ae6 s LYS 114 CO 0.80 -0.02 -0.15 -0.51 -0.36 0.00 0.00 175.35 175.11 2ae6 s LEU 115 N 0.09 2.69 0.16 5.43 1.43 0.07 -1.28 118.68 127.27 2ae6 s LEU 115 Ca -0.01 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 2ae6 s LEU 115 Cb -0.01 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2ae6 s LEU 115 CO -0.00 0.32 0.27 -0.94 0.23 0.00 0.00 176.35 176.23 2ae6 s SER 116 N -0.90 0.06 0.09 2.29 1.04 -0.09 -0.59 113.70 115.60 2ae6 s SER 116 Ca 0.12 -0.89 -0.27 0.00 0.48 0.00 0.00 55.95 55.40 2ae6 s SER 116 Cb -0.11 0.43 0.08 0.00 0.10 0.00 0.00 66.02 66.52 2ae6 s SER 116 CO 0.02 -0.88 1.05 -1.48 0.98 0.00 0.00 173.24 172.93 2ae6 s LEU 117 N -2.97 -0.15 0.03 2.42 2.34 -0.83 -1.40 118.68 118.12 2ae6 s LEU 117 Ca 0.17 -0.30 0.07 0.00 0.06 0.00 0.00 54.13 54.14 2ae6 s LEU 117 Cb 0.04 1.92 -0.03 0.00 -0.56 0.00 0.00 46.19 47.55 2ae6 s LEU 117 CO -0.00 -0.70 -0.20 -0.13 -1.06 0.00 0.00 176.35 174.25 2ae6 s ARG 118 N -3.02 2.05 0.00 1.48 0.52 -1.26 -1.02 118.95 117.70 2ae6 s ARG 118 Ca 0.12 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 2ae6 s ARG 118 Cb 0.00 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.33 2ae6 s ARG 118 CO -0.00 0.54 0.00 1.55 0.02 0.00 0.00 175.30 177.41 2ae6 n VAL 119 N 1.75 0.00 -0.09 3.52 3.14 -0.23 -4.96 118.33 121.47 2ae6 n VAL 119 Ca -0.16 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.14 2ae6 n VAL 119 Cb 0.52 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 33.14 2ae6 n VAL 119 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ae6 n ALA 121 N -3.00 1.62 0.69 1.55 0.00 -0.51 -0.47 120.51 120.38 2ae6 n ALA 121 Ca 0.00 -1.24 0.13 0.00 0.00 0.00 0.00 53.44 52.33 2ae6 n ALA 121 Cb 0.00 -0.27 0.35 0.00 0.00 0.00 0.00 19.45 19.54 2ae6 n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ae6 n THR 122 N -2.72 0.41 -2.18 0.00 -2.24 -1.26 -4.50 114.28 101.79 2ae6 n THR 122 Ca -0.30 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 60.83 2ae6 n THR 122 Cb 1.10 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 2ae6 n THR 122 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ae6 n ASN 123 N -2.07 4.59 0.03 3.42 2.85 -1.26 -4.74 115.26 118.09 2ae6 n ASN 123 Ca 0.05 -2.97 0.02 0.00 -0.11 0.00 0.00 54.58 51.57 2ae6 n ASN 123 Cb 0.41 -1.59 0.37 0.00 1.24 0.00 0.00 39.78 40.21 2ae6 n ASN 123 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2ae6 h GLN 124 N 6.19 0.45 0.01 1.20 5.75 -2.00 -1.99 115.11 124.71 2ae6 h GLN 124 Ca 0.47 -0.07 -0.20 0.00 -0.15 0.00 0.00 58.65 58.69 2ae6 h GLN 124 Cb 0.68 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 2ae6 h GLN 124 CO 1.68 0.44 -0.94 1.05 -2.65 0.00 0.00 178.83 178.40 2ae6 h GLU 125 N 0.44 0.02 -0.54 1.69 4.11 -1.98 -1.95 114.58 116.37 2ae6 h GLU 125 Ca 0.10 -0.03 -0.11 0.00 0.07 0.00 0.00 59.36 59.40 2ae6 h GLU 125 Cb 0.20 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2ae6 h GLU 125 CO -0.00 0.94 -0.08 0.00 0.07 0.00 0.00 179.01 179.94 2ae6 h ALA 126 N 1.04 0.82 -0.07 1.06 0.00 -1.81 -1.64 119.26 118.66 2ae6 h ALA 126 Ca -0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ae6 h ALA 126 Cb 1.65 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2ae6 h ALA 126 CO 0.13 0.66 0.03 0.82 0.00 0.00 0.00 179.25 180.89 2ae6 h ILE 127 N 0.90 1.11 -0.40 0.00 2.04 -1.33 -0.87 117.51 118.96 2ae6 h ILE 127 Ca 0.15 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.75 2ae6 h ILE 127 Cb 0.64 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.86 2ae6 h ILE 127 CO 0.04 0.09 0.02 -0.09 0.00 0.00 0.00 178.15 178.22 2ae6 h ARG 128 N -0.01 0.13 -0.04 2.37 2.43 -1.39 0.07 114.38 117.94 2ae6 h ARG 128 Ca 0.02 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2ae6 h ARG 128 Cb 0.12 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 2ae6 h ARG 128 CO -0.00 0.09 -0.29 0.35 -1.51 0.00 0.00 179.97 178.60 2ae6 h PHE 129 N 0.13 -0.79 -0.63 2.20 3.57 -0.91 0.20 116.94 120.72 2ae6 h PHE 129 Ca 0.20 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 2ae6 h PHE 129 Cb 0.27 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2ae6 h PHE 129 CO -0.25 -0.38 0.05 1.88 -2.23 0.00 0.00 178.31 177.38 2ae6 h TYR 130 N -0.41 1.17 -0.44 0.41 -1.99 -0.86 -1.84 116.97 113.00 2ae6 h TYR 130 Ca 0.07 -0.19 0.04 0.00 2.00 0.00 0.00 58.73 60.66 2ae6 h TYR 130 Cb 0.52 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 38.90 2ae6 h TYR 130 CO -0.34 1.01 0.20 0.93 -0.00 0.00 0.00 178.16 179.96 2ae6 h GLU 131 N 1.00 0.39 -0.95 4.88 5.08 -0.84 -1.08 114.58 123.05 2ae6 h GLU 131 Ca 0.19 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 2ae6 h GLU 131 Cb 0.51 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 2ae6 h GLU 131 CO 0.02 0.26 0.59 -0.22 -1.00 0.00 0.00 179.01 178.67 2ae6 h LYS 132 N 0.40 0.98 -0.85 2.33 3.64 -0.20 -2.29 116.57 120.57 2ae6 h LYS 132 Ca 0.19 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.31 2ae6 h LYS 132 Cb 0.13 -0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 31.61 2ae6 h LYS 132 CO -0.16 0.65 0.26 0.72 -2.27 0.00 0.00 179.45 178.65 2ae6 n HIS 133 N -4.61 1.95 -0.35 1.91 8.25 -0.73 -4.93 115.22 116.72 2ae6 n HIS 133 Ca 0.16 -1.04 0.00 0.00 -0.26 0.00 0.00 57.72 56.58 2ae6 n HIS 133 Cb 0.27 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.78 2ae6 n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ae6 n GLY 134 N -0.16 0.70 3.77 -1.41 0.00 -0.86 -5.03 105.19 102.20 2ae6 n GLY 134 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 2ae6 n GLY 134 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ae6 s PHE 135 N -2.59 3.28 0.12 1.61 0.40 -0.44 -4.81 117.98 115.55 2ae6 s PHE 135 Ca 0.00 1.62 0.09 0.00 -0.60 0.00 0.00 56.93 58.04 2ae6 s PHE 135 Cb 0.00 -3.28 -0.04 0.00 0.51 0.00 0.00 43.02 40.21 2ae6 s PHE 135 CO 0.00 -0.87 -0.17 0.14 0.70 0.00 0.00 175.22 175.02 2ae6 s VAL 136 N -1.42 2.90 0.11 -0.44 -7.23 0.34 -4.26 120.40 110.41 2ae6 s VAL 136 Ca 0.54 -1.52 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 2ae6 s VAL 136 Cb -0.28 -2.35 -0.07 0.00 0.56 0.00 0.00 36.38 34.24 2ae6 s VAL 136 CO 0.36 0.07 1.24 -1.58 -0.31 0.00 0.00 175.10 174.88 2ae6 s GLN 137 N -2.24 4.43 -0.00 4.82 0.74 -1.26 -0.44 119.66 125.70 2ae6 s GLN 137 Ca 0.19 1.87 0.03 0.00 0.05 0.00 0.00 55.36 57.50 2ae6 s GLN 137 Cb -0.10 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 2ae6 s GLN 137 CO 0.11 -0.24 0.07 0.39 -0.55 0.00 0.00 175.29 175.06 2ae6 n GLU 138 N 3.45 0.24 -3.77 1.67 1.02 0.79 -4.92 120.64 119.11 2ae6 n GLU 138 Ca 0.08 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 2ae6 n GLU 138 Cb 0.45 -1.06 -0.11 0.00 -0.02 0.00 0.00 31.44 30.70 2ae6 n GLU 138 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ae6 s ALA 139 N -2.18 -0.75 -0.32 0.62 0.00 -1.14 -4.93 121.76 113.06 2ae6 s ALA 139 Ca -0.01 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.71 2ae6 s ALA 139 Cb 0.02 -0.41 0.10 0.00 0.00 0.00 0.00 23.12 22.83 2ae6 s ALA 139 CO 0.12 -0.16 0.10 -1.58 0.00 0.00 0.00 175.76 174.24 2ae6 s HIS 140 N -0.09 1.96 -0.35 0.00 2.46 -1.26 -1.52 115.29 116.50 2ae6 s HIS 140 Ca -0.02 -1.92 -0.21 0.00 0.47 0.00 0.00 55.06 53.37 2ae6 s HIS 140 Cb -0.03 -1.87 0.00 0.00 -0.13 0.00 0.00 32.58 30.56 2ae6 s HIS 140 CO 0.01 -0.88 0.67 -0.06 -2.47 0.00 0.00 174.74 172.01 2ae6 s PHE 141 N 1.46 3.15 0.07 3.88 0.40 0.21 -4.96 117.98 122.21 2ae6 s PHE 141 Ca 0.10 0.43 -0.18 0.00 -0.60 0.00 0.00 56.93 56.68 2ae6 s PHE 141 Cb -0.18 -3.17 -0.07 0.00 0.51 0.00 0.00 43.02 40.11 2ae6 s PHE 141 CO -0.22 -0.63 0.55 0.15 0.70 0.00 0.00 175.22 175.77 2ae6 s LYS 142 N 2.78 4.14 -1.34 0.44 1.02 -1.26 -1.54 119.74 123.97 2ae6 s LYS 142 Ca 0.26 0.67 -0.05 0.00 0.02 0.00 0.00 55.97 56.87 2ae6 s LYS 142 Cb -0.14 -3.19 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2ae6 s LYS 142 CO 0.15 0.62 0.51 0.39 -0.92 0.00 0.00 175.35 176.10 2ae6 n GLU 143 N 1.61 -2.93 -0.04 1.68 1.02 -1.25 -4.89 120.64 115.83 2ae6 n GLU 143 Ca -0.10 0.42 -0.21 0.00 -0.02 0.00 0.00 57.16 57.24 2ae6 n GLU 143 Cb 0.51 -4.44 -0.13 0.00 -0.02 0.00 0.00 31.44 27.36 2ae6 n GLU 143 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2ae6 n GLU 144 N -4.37 0.70 -4.55 3.49 4.07 -0.49 -4.76 120.64 114.74 2ae6 n GLU 144 Ca -0.27 0.30 -0.33 0.00 -0.06 0.00 0.00 57.16 56.80 2ae6 n GLU 144 Cb 0.67 -1.68 -0.15 0.00 -0.06 0.00 0.00 31.44 30.22 2ae6 n GLU 144 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 2ae6 s PHE 145 N -2.52 2.79 -0.26 4.31 0.40 -0.92 -4.95 117.98 116.83 2ae6 s PHE 145 Ca -0.26 -1.00 -0.22 0.00 -0.60 0.00 0.00 56.93 54.85 2ae6 s PHE 145 Cb 0.07 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 2ae6 s PHE 145 CO 0.70 -0.45 0.70 -0.47 0.70 0.00 0.00 175.22 176.41 2ae6 s TYR 146 N 0.78 3.27 -0.25 0.36 5.04 -1.26 -0.71 117.35 124.58 2ae6 s TYR 146 Ca -0.06 0.88 -0.02 0.00 -2.44 0.00 0.00 57.07 55.43 2ae6 s TYR 146 Cb -0.15 -2.96 0.08 0.00 0.35 0.00 0.00 41.96 39.28 2ae6 s TYR 146 CO 0.01 -0.39 0.06 0.42 -1.34 0.00 0.00 175.55 174.30 2ae6 s ILE 147 N 2.66 0.68 -1.23 3.14 1.01 0.19 -4.91 121.20 122.74 2ae6 s ILE 147 Ca 0.29 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 2ae6 s ILE 147 Cb -0.15 -1.31 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 2ae6 s ILE 147 CO 0.09 -0.41 0.67 -3.20 0.00 0.00 0.00 174.94 172.10 2ae6 n ASN 148 N 4.96 -3.49 0.00 3.58 5.15 -1.26 -1.80 115.26 122.40 2ae6 n ASN 148 Ca -0.07 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.90 2ae6 n ASN 148 Cb 0.45 -3.26 0.00 0.00 -0.53 0.00 0.00 39.78 36.43 2ae6 n ASN 148 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ae6 n GLY 149 N -1.78 2.35 3.33 8.20 0.00 -1.26 -5.03 105.19 111.01 2ae6 n GLY 149 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2ae6 n GLY 149 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ae6 s HIS 150 N -2.56 2.00 -0.14 1.61 -3.43 -0.74 -5.14 115.29 106.89 2ae6 s HIS 150 Ca 0.00 -0.41 -0.06 0.00 -0.80 0.00 0.00 55.06 53.79 2ae6 s HIS 150 Cb 0.00 -1.07 -0.04 0.00 -1.43 0.00 0.00 32.58 30.04 2ae6 s HIS 150 CO 0.00 0.28 0.08 0.71 -2.00 0.00 0.00 174.74 173.82 2ae6 s TYR 151 N -1.26 3.37 0.03 0.38 1.51 -1.26 0.53 117.35 120.65 2ae6 s TYR 151 Ca 0.11 0.30 0.07 0.00 -1.01 0.00 0.00 57.07 56.54 2ae6 s TYR 151 Cb -0.09 -1.96 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 2ae6 s TYR 151 CO 0.05 0.47 -0.20 0.00 -1.11 0.00 0.00 175.55 174.76 2ae6 s ASP 153 N -0.98 6.60 0.11 0.00 1.11 -1.26 -1.39 116.67 120.86 2ae6 s ASP 153 Ca 0.07 1.36 0.05 0.00 0.18 0.00 0.00 52.55 54.22 2ae6 s ASP 153 Cb -0.08 -2.42 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 2ae6 s ASP 153 CO 0.01 -0.47 -0.13 -0.62 1.18 0.00 0.00 175.17 175.14 2ae6 s ASP 154 N -3.01 1.81 0.10 0.27 2.15 -0.59 -1.43 116.67 115.97 2ae6 s ASP 154 Ca 0.55 -0.78 0.09 0.00 0.43 0.00 0.00 52.55 52.85 2ae6 s ASP 154 Cb -0.10 -0.05 -0.04 0.00 -0.30 0.00 0.00 42.92 42.44 2ae6 s ASP 154 CO 0.29 -0.16 -0.24 -0.31 -0.17 0.00 0.00 175.17 174.58 2ae6 s TYR 155 N -2.07 2.07 -0.11 -5.34 1.51 0.38 -0.62 117.35 113.16 2ae6 s TYR 155 Ca 0.06 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2ae6 s TYR 155 Cb -0.05 -1.15 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 2ae6 s TYR 155 CO 0.02 0.25 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.53 2ae6 s GLN 156 N -1.84 3.25 0.03 -0.62 0.74 -0.58 -1.07 119.66 119.58 2ae6 s GLN 156 Ca 0.10 -0.50 0.07 0.00 0.05 0.00 0.00 55.36 55.08 2ae6 s GLN 156 Cb -0.10 -2.80 -0.03 0.00 1.10 0.00 0.00 33.01 31.18 2ae6 s GLN 156 CO 0.05 0.47 -0.17 0.71 -0.55 0.00 0.00 175.29 175.80 2ae6 s TYR 157 N -0.27 2.59 0.03 1.67 1.51 -0.19 -0.15 117.35 122.54 2ae6 s TYR 157 Ca 0.05 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 2ae6 s TYR 157 Cb -0.13 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.22 2ae6 s TYR 157 CO 0.02 0.25 -0.10 0.00 -1.11 0.00 0.00 175.55 174.61 2ae6 s ALA 158 N -0.91 0.82 -0.08 3.71 0.00 0.41 -1.96 121.76 123.75 2ae6 s ALA 158 Ca 0.14 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2ae6 s ALA 158 Cb -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2ae6 s ALA 158 CO 0.05 0.12 -0.16 -0.47 0.00 0.00 0.00 175.76 175.30 2ae6 s TYR 159 N -0.89 1.81 -0.33 0.00 5.04 0.25 -0.50 117.35 122.73 2ae6 s TYR 159 Ca -0.02 -0.72 -0.12 0.00 -2.44 0.00 0.00 57.07 53.76 2ae6 s TYR 159 Cb -0.07 -1.28 -0.02 0.00 0.35 0.00 0.00 41.96 40.93 2ae6 s TYR 159 CO 0.01 -0.34 0.22 -0.06 -1.34 0.00 0.00 175.55 174.04 2ae6 s PHE 160 N 0.64 3.22 -2.00 4.97 0.40 -1.26 -0.75 117.98 123.20 2ae6 s PHE 160 Ca -0.14 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.01 2ae6 s PHE 160 Cb -0.16 -2.45 0.15 0.00 0.51 0.00 0.00 43.02 41.07 2ae6 s PHE 160 CO 0.04 -0.34 0.63 -0.89 0.70 0.00 0.00 175.22 175.36