#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sth s LEU 7 N 0.00 3.41 0.00 0.00 1.43 -1.26 -5.08 118.68 117.18 1sth s LEU 7 Ca 0.00 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1sth s LEU 7 Cb 0.00 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1sth s LEU 7 CO 0.00 -0.84 0.01 -1.38 0.23 0.00 0.00 176.35 174.38 1sth s HIS 8 N -2.88 0.10 0.26 0.29 -3.43 -1.26 -5.11 115.29 103.26 1sth s HIS 8 Ca 0.51 -0.20 -0.29 0.00 -0.80 0.00 0.00 55.06 54.28 1sth s HIS 8 Cb -0.10 -0.08 -0.09 0.00 -1.43 0.00 0.00 32.58 30.87 1sth s HIS 8 CO 0.45 -0.12 0.94 0.15 -2.00 0.00 0.00 174.74 174.17 1sth s LYS 9 N -0.75 4.78 0.08 -0.38 1.02 -1.26 -4.39 119.74 118.83 1sth s LYS 9 Ca -0.08 1.44 0.07 0.00 0.02 0.00 0.00 55.97 57.42 1sth s LYS 9 Cb -0.05 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 1sth s LYS 9 CO -0.00 0.45 -0.18 -1.21 -0.92 0.00 0.00 175.35 173.49 1sth s GLU 10 N -1.43 1.04 0.53 1.68 2.02 -0.08 -4.93 118.70 117.53 1sth s GLU 10 Ca 0.44 -1.01 -0.21 0.00 0.02 0.00 0.00 54.97 54.21 1sth s GLU 10 Cb -0.24 -1.17 -0.05 0.00 0.10 0.00 0.00 34.13 32.77 1sth s GLU 10 CO 0.30 0.27 1.22 -2.14 0.02 0.00 0.00 175.26 174.93 1sth s PRO 11 N -1.64 3.33 0.14 0.39 0.02 -1.26 -0.63 135.00 135.34 1sth s PRO 11 Ca 0.03 1.88 -0.09 0.00 0.02 0.00 0.00 61.00 62.84 1sth s PRO 11 Cb -0.10 -2.18 -0.00 0.00 0.02 0.00 0.00 34.50 32.24 1sth s PRO 11 CO 0.03 -0.94 0.26 0.00 -0.33 0.00 0.00 177.00 176.03 1sth s ALA 12 N -1.52 -0.12 -0.10 -1.55 0.00 -0.82 -4.68 121.76 112.97 1sth s ALA 12 Ca 0.71 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1sth s ALA 12 Cb -0.31 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.54 1sth s ALA 12 CO 0.36 -0.61 -0.23 0.99 0.00 0.00 0.00 175.76 176.28 1sth s THR 13 N -3.93 2.18 0.19 0.00 2.01 -0.67 -4.12 115.64 111.30 1sth s THR 13 Ca 0.13 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 60.84 1sth s THR 13 Cb 0.04 -1.84 -0.10 0.00 0.01 0.00 0.00 72.50 70.61 1sth s THR 13 CO -0.04 0.56 1.51 -0.22 -0.69 0.00 0.00 174.62 175.74 1sth s LEU 14 N 0.33 4.37 -0.18 4.42 0.20 -1.26 -0.56 118.68 126.00 1sth s LEU 14 Ca -0.18 2.62 -0.14 0.00 0.69 0.00 0.00 54.13 57.11 1sth s LEU 14 Cb -0.18 -3.60 -0.07 0.00 -0.43 0.00 0.00 46.19 41.91 1sth s LEU 14 CO 0.09 -0.77 -0.31 -0.38 -0.29 0.00 0.00 176.35 174.68 1sth n ILE 15 N 3.42 1.41 -3.63 6.68 5.41 0.05 -4.81 119.36 127.89 1sth n ILE 15 Ca 0.11 -0.02 -0.11 0.00 1.00 0.00 0.00 62.75 63.73 1sth n ILE 15 Cb 0.39 -2.09 -0.07 0.00 -0.71 0.00 0.00 39.64 37.16 1sth n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1sth s LYS 16 N -2.66 0.75 0.03 0.38 2.20 -0.71 -5.00 119.74 114.73 1sth s LYS 16 Ca -0.28 0.97 -0.20 0.00 -0.36 0.00 0.00 55.97 56.10 1sth s LYS 16 Cb 0.07 0.32 -0.06 0.00 -1.51 0.00 0.00 37.83 36.65 1sth s LYS 16 CO 0.39 -0.10 0.60 0.00 -0.36 0.00 0.00 175.35 175.88 1sth s ALA 17 N 0.64 3.52 -0.21 3.13 0.00 -1.26 -0.22 121.76 127.36 1sth s ALA 17 Ca -0.02 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 1sth s ALA 17 Cb -0.05 -2.72 -0.09 0.00 0.00 0.00 0.00 23.12 20.26 1sth s ALA 17 CO -0.05 0.26 -0.28 -0.89 0.00 0.00 0.00 175.76 174.80 1sth n ILE 18 N 2.29 1.50 -1.88 0.00 2.08 -0.53 -4.92 119.36 117.90 1sth n ILE 18 Ca -0.08 -0.03 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1sth n ILE 18 Cb 0.51 -2.18 0.00 0.00 -0.75 0.00 0.00 39.64 37.21 1sth n ILE 18 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1sth n ASP 19 N -4.42 0.00 -0.18 4.38 5.75 -0.86 -5.00 116.55 116.23 1sth n ASP 19 Ca -0.27 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.53 1sth n ASP 19 Cb 0.61 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 41.00 1sth n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1sth h GLY 20 N 0.00 0.97 -0.07 6.12 0.00 -1.81 -3.22 103.07 105.05 1sth h GLY 20 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1sth h GLY 20 CO 0.00 0.31 -0.04 2.09 0.00 0.00 0.00 176.54 178.91 1sth n ASP 21 N -4.45 1.59 -3.85 0.19 5.68 -1.26 -4.74 116.55 109.71 1sth n ASP 21 Ca 0.08 -2.08 -0.19 0.00 -0.50 0.00 0.00 54.79 52.10 1sth n ASP 21 Cb 0.09 -0.11 -0.16 0.00 -1.14 0.00 0.00 41.12 39.79 1sth n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1sth s THR 22 N -1.19 0.37 0.02 2.12 2.01 -1.22 -1.15 115.64 116.61 1sth s THR 22 Ca 0.07 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 1sth s THR 22 Cb 0.06 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 1sth s THR 22 CO 0.01 0.19 0.01 0.68 -0.69 0.00 0.00 174.62 174.82 1sth s VAL 23 N 1.04 0.11 -0.16 3.82 -7.23 -0.72 -1.45 120.40 115.80 1sth s VAL 23 Ca -0.09 -0.91 -0.07 0.00 -1.81 0.00 0.00 61.98 59.10 1sth s VAL 23 Cb -0.14 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 1sth s VAL 23 CO -0.01 -0.50 0.06 -0.54 -0.31 0.00 0.00 175.10 173.80 1sth s LYS 24 N -1.60 3.78 0.07 4.82 1.02 0.69 -0.30 119.74 128.22 1sth s LYS 24 Ca -0.14 -0.33 0.03 0.00 0.02 0.00 0.00 55.97 55.55 1sth s LYS 24 Cb -0.08 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1sth s LYS 24 CO -0.01 0.40 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.22 1sth s LEU 25 N 0.02 2.33 -0.32 3.17 1.43 -0.39 -0.77 118.68 124.14 1sth s LEU 25 Ca 0.06 -0.68 -0.19 0.00 -1.03 0.00 0.00 54.13 52.29 1sth s LEU 25 Cb -0.12 -0.23 -0.01 0.00 0.03 0.00 0.00 46.19 45.86 1sth s LEU 25 CO 0.01 -0.23 0.59 -0.32 0.23 0.00 0.00 176.35 176.62 1sth s MET 26 N -2.17 3.84 -0.15 1.70 -2.45 0.27 -0.91 119.30 119.43 1sth s MET 26 Ca -0.03 0.17 0.00 0.00 -1.25 0.00 0.00 55.69 54.58 1sth s MET 26 Cb -0.06 -3.74 0.03 0.00 1.25 0.00 0.00 34.83 32.30 1sth s MET 26 CO -0.00 -0.57 -0.10 -0.47 1.05 0.00 0.00 175.02 174.92 1sth s TYR 27 N 2.53 1.92 -1.45 4.11 5.04 0.08 -1.67 117.35 127.91 1sth s TYR 27 Ca 0.23 -1.11 -0.07 0.00 -2.44 0.00 0.00 57.07 53.69 1sth s TYR 27 Cb -0.15 -1.44 0.05 0.00 0.35 0.00 0.00 41.96 40.76 1sth s TYR 27 CO 0.12 -0.63 0.74 1.63 -1.34 0.00 0.00 175.55 176.08 1sth n LYS 28 N 4.83 -4.58 -0.92 4.97 4.76 -1.26 -1.22 118.16 124.74 1sth n LYS 28 Ca -0.14 0.54 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 1sth n LYS 28 Cb 0.49 -5.13 0.00 0.00 -1.84 0.00 0.00 35.03 28.55 1sth n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sth n GLY 29 N -1.69 0.60 3.30 0.72 0.00 -1.26 -5.02 105.19 101.85 1sth n GLY 29 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1sth n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sth s GLN 30 N -0.35 2.30 0.05 1.61 0.00 -0.36 -5.09 119.66 117.82 1sth s GLN 30 Ca 0.00 -0.91 -0.31 0.00 -0.00 0.00 0.00 55.36 54.14 1sth s GLN 30 Cb 0.00 -2.10 -0.07 0.00 0.00 0.00 0.00 33.01 30.84 1sth s GLN 30 CO 0.00 0.49 1.47 -1.25 0.00 0.00 0.00 175.29 176.00 1sth s PRO 31 N -0.44 4.27 0.03 9.60 0.04 -1.26 -0.74 135.00 146.50 1sth s PRO 31 Ca 0.05 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1sth s PRO 31 Cb -0.11 -3.49 -0.03 0.00 0.04 0.00 0.00 34.50 30.91 1sth s PRO 31 CO 0.01 -0.58 -0.04 -1.64 0.04 0.00 0.00 177.00 174.79 1sth s MET 32 N 2.11 0.43 -0.11 4.56 -1.94 -0.09 -4.98 119.30 119.28 1sth s MET 32 Ca 0.67 -0.79 -0.10 0.00 -1.71 0.00 0.00 55.69 53.75 1sth s MET 32 Cb -0.35 0.05 -0.05 0.00 2.01 0.00 0.00 34.83 36.49 1sth s MET 32 CO 0.29 -0.05 0.22 -0.08 -0.01 0.00 0.00 175.02 175.40 1sth s THR 33 N -2.06 5.36 -0.04 2.05 -1.32 -1.26 -1.27 115.64 117.10 1sth s THR 33 Ca -0.09 0.40 0.02 0.00 -1.21 0.00 0.00 61.69 60.81 1sth s THR 33 Cb -0.06 -3.51 -0.03 0.00 -1.51 0.00 0.00 72.50 67.39 1sth s THR 33 CO -0.03 0.56 -0.08 -0.36 -2.21 0.00 0.00 174.62 172.50 1sth s PHE 34 N -0.68 2.88 -0.12 9.09 0.40 0.59 -0.70 117.98 129.44 1sth s PHE 34 Ca 0.16 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.48 1sth s PHE 34 Cb -0.13 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 1sth s PHE 34 CO 0.05 0.32 -0.18 0.50 0.70 0.00 0.00 175.22 176.62 1sth s ARG 35 N -1.01 3.24 0.02 0.44 6.06 0.50 -1.76 118.95 126.43 1sth s ARG 35 Ca 0.14 -0.77 -0.30 0.00 -2.50 0.00 0.00 55.73 52.30 1sth s ARG 35 Cb -0.11 -2.49 -0.07 0.00 0.06 0.00 0.00 34.95 32.34 1sth s ARG 35 CO 0.03 0.20 1.60 -0.51 -2.50 0.00 0.00 175.30 174.12 1sth s LEU 36 N 0.35 4.34 0.41 -0.88 1.43 -0.30 -2.83 118.68 121.20 1sth s LEU 36 Ca -0.14 2.34 -0.27 0.00 -1.03 0.00 0.00 54.13 55.03 1sth s LEU 36 Cb -0.17 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 1sth s LEU 36 CO 0.07 -0.86 1.40 -0.76 0.23 0.00 0.00 176.35 176.43 1sth s LEU 37 N 2.97 4.22 -0.64 1.79 1.43 -0.26 -3.86 118.68 124.33 1sth s LEU 37 Ca 0.72 2.86 0.00 0.00 -1.03 0.00 0.00 54.13 56.68 1sth s LEU 37 Cb -0.36 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.03 1sth s LEU 37 CO 0.30 -0.95 0.00 0.18 0.23 0.00 0.00 176.35 176.11 1sth n LEU 38 N 0.16 -0.14 -4.16 1.79 4.77 -1.26 -4.92 117.00 113.24 1sth n LEU 38 Ca 0.03 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 1sth n LEU 38 Cb 0.42 -1.78 -0.10 0.00 -2.33 0.00 0.00 43.42 39.62 1sth n LEU 38 CO 0.59 -0.62 -0.38 0.68 -1.33 0.00 0.00 177.39 176.34 1sth s VAL 39 N -1.92 0.61 -0.06 4.08 -7.23 -1.23 -1.38 120.40 113.26 1sth s VAL 39 Ca 0.00 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 1sth s VAL 39 Cb 0.00 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.31 1sth s VAL 39 CO 0.00 -0.90 0.02 -0.62 -0.31 0.00 0.00 175.10 173.29 1sth s ASP 40 N -3.02 1.41 0.25 4.85 2.15 -0.04 -4.68 116.67 117.59 1sth s ASP 40 Ca 0.11 -0.04 -0.00 0.00 0.43 0.00 0.00 52.55 53.04 1sth s ASP 40 Cb 0.06 -0.36 -0.04 0.00 -0.30 0.00 0.00 42.92 42.28 1sth s ASP 40 CO -0.06 -0.20 0.45 0.42 -0.17 0.00 0.00 175.17 175.61 1sth s THR 41 N 1.96 5.16 0.55 1.71 -4.23 -1.26 -2.16 115.64 117.37 1sth s THR 41 Ca 0.04 -0.40 -0.21 0.00 -1.18 0.00 0.00 61.69 59.94 1sth s THR 41 Cb -0.12 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 69.89 1sth s THR 41 CO -0.04 -0.30 1.35 -2.84 -0.54 0.00 0.00 174.62 172.24 1sth s PRO 42 N -3.66 3.10 0.31 3.99 0.02 -1.26 -4.94 135.00 132.56 1sth s PRO 42 Ca 0.39 2.21 -0.28 0.00 0.02 0.00 0.00 61.00 63.34 1sth s PRO 42 Cb -0.10 -2.22 -0.09 0.00 0.02 0.00 0.00 34.50 32.10 1sth s PRO 42 CO 0.31 -1.21 1.11 -2.00 -0.33 0.00 0.00 177.00 174.88 1sth s GLU 43 N -2.95 4.49 -0.14 5.54 2.56 -1.26 -4.41 118.70 122.53 1sth s GLU 43 Ca 0.72 1.79 0.09 0.00 0.00 0.00 0.00 54.97 57.57 1sth s GLU 43 Cb -0.40 -3.03 -0.15 0.00 2.00 0.00 0.00 34.13 32.55 1sth s GLU 43 CO 0.47 0.08 -0.00 0.25 -0.56 0.00 0.00 175.26 175.49 1sth n THR 44 N 0.85 0.93 0.00 -1.70 -2.24 -1.25 -0.69 114.28 110.17 1sth n THR 44 Ca 0.00 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1sth n THR 44 Cb 0.45 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1sth n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sth n LYS 45 N -2.62 0.00 0.00 -0.78 4.01 -1.26 -3.92 118.16 113.59 1sth n LYS 45 Ca -0.24 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.56 1sth n LYS 45 Cb 0.91 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.43 1sth n LYS 45 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1sth n HIS 46 N 0.00 0.00 0.12 2.13 -0.00 -1.26 -3.50 115.22 112.71 1sth n HIS 46 Ca 0.00 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.22 1sth n HIS 46 Cb 0.00 0.00 0.22 0.00 -0.12 0.00 0.00 29.99 30.09 1sth n HIS 46 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1sth n PRO 47 N 0.00 0.06 -1.98 1.57 -0.02 -1.26 0.14 135.00 133.50 1sth n PRO 47 Ca 0.00 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 1sth n PRO 47 Cb 0.00 -2.03 0.03 0.00 -0.02 0.00 0.00 33.50 31.48 1sth n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1sth n LYS 48 N -1.81 3.10 0.00 -0.52 5.02 -1.26 -4.59 118.16 118.10 1sth n LYS 48 Ca -0.01 -3.89 0.00 0.00 -2.02 0.00 0.00 58.31 52.40 1sth n LYS 48 Cb 0.36 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 1sth n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sth n LYS 49 N -0.63 0.00 0.00 1.97 4.76 -0.01 -5.20 118.16 119.05 1sth n LYS 49 Ca 0.50 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 1sth n LYS 49 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 1sth n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sth n GLY 50 N 0.00 -2.89 3.55 0.72 0.00 0.37 -4.85 105.19 102.09 1sth n GLY 50 Ca 0.00 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 1sth n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sth s VAL 51 N -0.50 3.24 0.29 1.61 1.01 -1.25 -3.91 120.40 120.88 1sth s VAL 51 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1sth s VAL 51 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1sth s VAL 51 CO 0.00 -0.60 0.50 -1.61 0.00 0.00 0.00 175.10 173.39 1sth s GLU 52 N 7.51 3.54 0.18 2.72 2.02 0.13 -4.99 118.70 129.81 1sth s GLU 52 Ca 0.78 -0.22 -0.32 0.00 0.02 0.00 0.00 54.97 55.23 1sth s GLU 52 Cb -0.13 -2.71 -0.11 0.00 0.10 0.00 0.00 34.13 31.28 1sth s GLU 52 CO 0.19 0.24 1.73 0.21 0.02 0.00 0.00 175.26 177.66 1sth s LYS 53 N -3.78 4.14 0.00 1.61 2.47 -1.26 -0.86 119.74 122.06 1sth s LYS 53 Ca 0.41 2.57 0.00 0.00 -1.56 0.00 0.00 55.97 57.39 1sth s LYS 53 Cb -0.10 -3.24 0.00 0.00 -1.46 0.00 0.00 37.83 33.03 1sth s LYS 53 CO 0.32 -0.76 0.00 0.66 0.16 0.00 0.00 175.35 175.73 1sth n TYR 54 N 4.48 0.00 -0.03 4.03 4.01 -1.26 -4.81 117.16 123.58 1sth n TYR 54 Ca 0.16 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.79 1sth n TYR 54 Cb 0.36 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 1sth n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1sth h GLY 55 N 0.00 0.22 0.88 2.72 0.00 -1.21 -0.16 103.07 105.51 1sth h GLY 55 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.23 1sth h GLY 55 CO 0.00 0.13 0.57 -2.55 0.00 0.00 0.00 176.54 174.68 1sth h PRO 56 N 0.01 1.07 -0.06 4.80 0.11 -1.86 -1.22 132.00 134.85 1sth h PRO 56 Ca 0.04 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 65.86 1sth h PRO 56 Cb 0.25 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 31.13 1sth h PRO 56 CO 0.00 0.71 -0.87 1.05 -0.21 0.00 0.00 178.00 178.68 1sth h GLU 57 N 1.10 0.57 -0.62 1.05 9.09 -1.89 -2.14 114.58 121.75 1sth h GLU 57 Ca 0.35 -0.54 -0.02 0.00 0.05 0.00 0.00 59.36 59.20 1sth h GLU 57 Cb 0.00 0.13 -0.03 0.00 -1.65 0.00 0.00 28.75 27.21 1sth h GLU 57 CO -0.12 1.16 0.32 0.00 0.05 0.00 0.00 179.01 180.42 1sth h ALA 58 N 0.67 0.79 -0.39 1.06 0.00 -0.88 -1.30 119.26 119.20 1sth h ALA 58 Ca -0.07 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1sth h ALA 58 Cb 1.50 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1sth h ALA 58 CO 0.16 0.33 0.24 0.77 0.00 0.00 0.00 179.25 180.75 1sth h SER 59 N 0.84 0.38 -0.45 0.00 0.02 -1.18 -2.05 113.55 111.12 1sth h SER 59 Ca 0.21 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1sth h SER 59 Cb 0.08 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1sth h SER 59 CO -0.03 0.28 -0.05 0.00 -1.14 0.00 0.00 176.83 175.88 1sth h ALA 60 N 1.17 0.96 0.26 3.77 0.00 -1.28 -0.65 119.26 123.49 1sth h ALA 60 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1sth h ALA 60 Cb -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1sth h ALA 60 CO -0.07 0.62 -0.12 0.35 0.00 0.00 0.00 179.25 180.03 1sth h PHE 61 N 0.81 -0.32 -0.74 0.00 3.04 -1.07 -0.38 116.94 118.28 1sth h PHE 61 Ca 0.14 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.11 1sth h PHE 61 Cb 0.55 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.13 1sth h PHE 61 CO 0.03 -0.11 0.47 1.15 -2.02 0.00 0.00 178.31 177.83 1sth h THR 62 N -0.47 1.12 -0.11 4.41 2.02 -1.21 -0.84 112.91 117.84 1sth h THR 62 Ca -0.04 -0.32 0.02 0.00 0.77 0.00 0.00 66.41 66.85 1sth h THR 62 Cb 0.35 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1sth h THR 62 CO 0.06 0.17 -0.03 0.50 0.37 0.00 0.00 175.52 176.58 1sth h LYS 63 N 0.93 -0.01 -0.05 6.66 3.64 -1.00 -0.60 116.57 126.14 1sth h LYS 63 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1sth h LYS 63 Cb -0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1sth h LYS 63 CO -0.10 -0.01 0.01 0.87 -2.27 0.00 0.00 179.45 177.96 1sth h LYS 64 N -0.01 0.04 -0.30 1.90 6.56 -0.86 0.18 116.57 124.07 1sth h LYS 64 Ca 0.06 -0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.65 1sth h LYS 64 Cb 0.09 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 1sth h LYS 64 CO -0.12 0.02 0.19 1.98 -2.06 0.00 0.00 179.45 179.46 1sth h MET 65 N 0.04 0.37 0.07 3.15 4.05 -0.85 -1.94 114.93 119.82 1sth h MET 65 Ca 0.02 -0.02 -0.24 0.00 -0.28 0.00 0.00 59.70 59.17 1sth h MET 65 Cb 0.01 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 1sth h MET 65 CO -0.03 0.25 -1.14 -0.39 0.23 0.00 0.00 176.91 175.83 1sth h VAL 66 N 0.39 1.59 -0.08 -5.77 -1.51 -1.04 -3.20 116.25 106.63 1sth h VAL 66 Ca 0.11 -3.23 -0.14 0.00 -1.23 0.00 0.00 66.70 62.21 1sth h VAL 66 Cb -0.03 2.89 -0.01 0.00 -2.13 0.00 0.00 31.29 32.01 1sth h VAL 66 CO -0.04 0.93 -0.58 -0.33 -1.23 0.00 0.00 177.57 176.32 1sth h GLU 67 N 0.04 0.24 -0.01 5.19 5.08 -0.89 -2.87 114.58 121.36 1sth h GLU 67 Ca -0.08 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1sth h GLU 67 Cb 1.88 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1sth h GLU 67 CO 0.17 0.76 -0.02 0.09 -1.00 0.00 0.00 179.01 179.00 1sth n ASN 68 N -3.89 0.77 -4.81 1.42 5.03 -0.74 -4.92 115.26 108.13 1sth n ASN 68 Ca -0.02 -1.17 -0.33 0.00 0.87 0.00 0.00 54.58 53.92 1sth n ASN 68 Cb 0.60 -0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 39.31 1sth n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sth s ALA 69 N -2.07 2.93 0.02 5.41 0.00 -1.09 -4.95 121.76 122.01 1sth s ALA 69 Ca 0.40 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.67 1sth s ALA 69 Cb 0.21 -3.20 -0.32 0.00 0.00 0.00 0.00 23.12 19.81 1sth s ALA 69 CO 0.37 -0.21 1.02 0.87 0.00 0.00 0.00 175.76 177.82 1sth h LYS 70 N 1.50 0.52 -4.17 0.00 1.57 -1.91 -3.47 116.57 110.62 1sth h LYS 70 Ca -0.49 -0.79 -0.41 0.00 -1.87 0.00 0.00 60.65 57.09 1sth h LYS 70 Cb 1.20 0.28 -0.33 0.00 0.08 0.00 0.00 32.23 33.46 1sth h LYS 70 CO 0.60 1.36 -0.78 0.15 -0.57 0.00 0.00 179.45 180.22 1sth s LYS 71 N -2.74 0.87 -0.12 3.15 1.02 -1.26 -5.03 119.74 115.63 1sth s LYS 71 Ca -0.10 -0.16 -0.02 0.00 0.02 0.00 0.00 55.97 55.71 1sth s LYS 71 Cb 0.04 -0.84 -0.03 0.00 -0.52 0.00 0.00 37.83 36.48 1sth s LYS 71 CO 0.91 -0.02 -0.05 0.42 -0.92 0.00 0.00 175.35 175.69 1sth s ILE 72 N 0.69 3.86 0.07 2.17 -1.09 -1.26 -1.01 121.20 124.63 1sth s ILE 72 Ca -0.10 -0.39 0.06 0.00 -2.23 0.00 0.00 60.65 58.00 1sth s ILE 72 Cb -0.13 -2.64 -0.03 0.00 -1.58 0.00 0.00 42.46 38.08 1sth s ILE 72 CO 0.01 0.55 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.48 1sth s GLU 73 N -0.21 1.02 0.05 2.79 2.02 -0.08 -1.94 118.70 122.36 1sth s GLU 73 Ca 0.03 -0.99 0.08 0.00 0.02 0.00 0.00 54.97 54.11 1sth s GLU 73 Cb -0.13 -1.14 -0.03 0.00 0.10 0.00 0.00 34.13 32.93 1sth s GLU 73 CO 0.02 0.27 -0.22 0.14 0.02 0.00 0.00 175.26 175.50 1sth s VAL 74 N -1.09 2.51 -0.19 2.63 -7.23 0.20 -0.70 120.40 116.53 1sth s VAL 74 Ca 0.03 -1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1sth s VAL 74 Cb -0.09 -2.04 0.06 0.00 0.56 0.00 0.00 36.38 34.86 1sth s VAL 74 CO 0.03 0.31 0.00 -0.70 -0.31 0.00 0.00 175.10 174.43 1sth s GLU 75 N -1.46 0.97 0.54 4.82 2.12 0.37 -0.90 118.70 125.16 1sth s GLU 75 Ca 0.14 -0.52 -0.17 0.00 0.36 0.00 0.00 54.97 54.78 1sth s GLU 75 Cb -0.10 -2.12 -0.07 0.00 0.26 0.00 0.00 34.13 32.10 1sth s GLU 75 CO 0.04 -0.58 1.01 -0.06 -0.54 0.00 0.00 175.26 175.13 1sth s PHE 76 N 1.74 3.27 0.00 5.30 0.08 -1.26 -0.73 117.98 126.37 1sth s PHE 76 Ca -0.01 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.53 1sth s PHE 76 Cb -0.17 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.40 1sth s PHE 76 CO -0.07 -0.63 0.00 -3.47 -0.10 0.00 0.00 175.22 170.95 1sth n ASP 77 N -1.65 0.00 -0.49 1.36 -0.08 -1.26 -4.63 116.55 109.79 1sth n ASP 77 Ca 0.07 -0.72 0.13 0.00 -1.51 0.00 0.00 54.79 52.77 1sth n ASP 77 Cb 0.54 0.00 0.35 0.00 2.34 0.00 0.00 41.12 44.35 1sth n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1sth n LYS 78 N -0.72 1.47 0.00 -0.67 2.85 -1.26 -4.89 118.16 114.95 1sth n LYS 78 Ca 0.00 -0.98 0.00 0.00 -1.05 0.00 0.00 58.31 56.28 1sth n LYS 78 Cb 0.00 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 1sth n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1sth n GLY 79 N 1.28 2.58 3.76 2.58 0.00 -1.26 -4.97 105.19 109.16 1sth n GLY 79 Ca 0.15 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 1sth n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sth s GLN 80 N 4.34 3.48 0.07 1.61 0.00 -1.26 -4.94 119.66 122.96 1sth s GLN 80 Ca 0.00 2.06 0.23 0.00 -0.00 0.00 0.00 55.36 57.65 1sth s GLN 80 Cb 0.00 -2.38 0.09 0.00 0.00 0.00 0.00 33.01 30.72 1sth s GLN 80 CO 0.00 -0.86 1.07 0.54 0.00 0.00 0.00 175.29 176.04 1sth n ARG 81 N -0.67 0.31 -4.16 9.60 3.00 -1.26 -4.81 116.66 118.67 1sth n ARG 81 Ca 0.08 0.01 -0.14 0.00 -0.01 0.00 0.00 57.85 57.80 1sth n ARG 81 Cb 0.46 -1.62 -0.11 0.00 0.00 0.00 0.00 32.46 31.19 1sth n ARG 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1sth s THR 82 N -3.20 0.86 0.19 0.55 -4.23 -1.26 -0.67 115.64 107.88 1sth s THR 82 Ca 0.04 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1sth s THR 82 Cb 0.14 -1.28 0.04 0.00 1.34 0.00 0.00 72.50 72.73 1sth s THR 82 CO 0.79 -0.56 0.25 -0.90 -0.54 0.00 0.00 174.62 173.67 1sth n ASP 83 N 0.64 0.41 0.30 3.99 5.68 -0.32 -4.87 116.55 122.38 1sth n ASP 83 Ca -0.17 -1.33 0.20 0.00 -0.50 0.00 0.00 54.79 53.00 1sth n ASP 83 Cb 0.57 -0.16 0.96 0.00 -1.14 0.00 0.00 41.12 41.36 1sth n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1sth h LYS 84 N 0.00 0.00 -0.14 0.11 2.10 -2.02 -0.24 116.57 116.38 1sth h LYS 84 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1sth h LYS 84 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1sth h LYS 84 CO 0.10 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.21 1sth n TYR 85 N -3.05 0.18 -0.86 0.07 4.01 -1.26 -4.93 117.16 111.32 1sth n TYR 85 Ca -0.01 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1sth n TYR 85 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1sth n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sth n GLY 86 N 1.16 0.63 3.77 2.72 0.00 -0.10 -5.03 105.19 108.34 1sth n GLY 86 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1sth n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sth s ARG 87 N -0.14 4.62 0.31 1.61 0.52 -1.26 -4.74 118.95 119.87 1sth s ARG 87 Ca 0.00 1.22 -0.29 0.00 -0.52 0.00 0.00 55.73 56.14 1sth s ARG 87 Cb 0.00 -3.28 -0.10 0.00 0.52 0.00 0.00 34.95 32.09 1sth s ARG 87 CO 0.00 0.53 1.30 0.20 0.02 0.00 0.00 175.30 177.35 1sth s GLY 88 N -1.03 2.92 -0.33 -3.53 0.00 0.12 -1.17 107.32 104.30 1sth s GLY 88 Ca 0.37 1.23 -0.06 0.00 0.00 0.00 0.00 44.72 46.26 1sth s GLY 88 CO 0.27 1.92 0.09 1.08 0.00 0.00 0.00 173.10 176.46 1sth s LEU 89 N -1.56 4.18 0.20 0.66 1.43 0.16 -0.37 118.68 123.38 1sth s LEU 89 Ca 0.50 -1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 1sth s LEU 89 Cb -0.39 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1sth s LEU 89 CO 0.50 -0.30 0.42 0.00 0.23 0.00 0.00 176.35 177.21 1sth s ALA 90 N 1.40 -0.36 -0.17 4.21 0.00 -1.13 -4.41 121.76 121.30 1sth s ALA 90 Ca -0.01 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 1sth s ALA 90 Cb -0.19 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 1sth s ALA 90 CO 0.02 -0.76 0.53 0.71 0.00 0.00 0.00 175.76 176.26 1sth s TYR 91 N -3.96 3.43 -0.12 0.00 2.02 0.09 -1.10 117.35 117.70 1sth s TYR 91 Ca 0.17 0.86 -0.03 0.00 -0.37 0.00 0.00 57.07 57.69 1sth s TYR 91 Cb 0.01 -2.66 -0.03 0.00 -0.40 0.00 0.00 41.96 38.87 1sth s TYR 91 CO 0.02 -0.02 -0.00 0.42 -1.57 0.00 0.00 175.55 174.40 1sth s ILE 92 N 1.33 4.23 -0.08 2.71 -1.09 -1.26 -0.48 121.20 126.55 1sth s ILE 92 Ca 0.26 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.45 1sth s ILE 92 Cb -0.16 -2.82 -0.02 0.00 -1.58 0.00 0.00 42.46 37.89 1sth s ILE 92 CO 0.10 0.55 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.88 1sth s TYR 93 N -0.31 2.65 -0.25 3.97 1.51 0.12 -0.30 117.35 124.75 1sth s TYR 93 Ca 0.06 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 1sth s TYR 93 Cb -0.12 -1.70 0.06 0.00 -0.11 0.00 0.00 41.96 40.08 1sth s TYR 93 CO 0.02 -0.11 -0.12 0.00 -1.11 0.00 0.00 175.55 174.24 1sth s ALA 94 N -0.12 2.49 -1.51 3.71 0.00 -0.12 -0.90 121.76 125.30 1sth s ALA 94 Ca -0.03 -1.67 -0.05 0.00 0.00 0.00 0.00 51.96 50.21 1sth s ALA 94 Cb -0.14 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.49 1sth s ALA 94 CO 0.04 -1.10 0.42 -0.25 0.00 0.00 0.00 175.76 174.86 1sth n ASP 95 N 4.47 -0.73 0.00 0.00 8.00 -0.18 -1.35 116.55 126.76 1sth n ASP 95 Ca -0.15 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1sth n ASP 95 Cb 0.43 -2.65 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 1sth n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sth n GLY 96 N -1.96 1.16 3.70 0.44 0.00 -1.26 -5.01 105.19 102.26 1sth n GLY 96 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1sth n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sth s LYS 97 N -0.05 4.17 -0.16 1.61 -0.14 -0.46 -5.03 119.74 119.69 1sth s LYS 97 Ca 0.00 -0.09 -0.29 0.00 -1.36 0.00 0.00 55.97 54.23 1sth s LYS 97 Cb 0.00 -3.47 -0.02 0.00 -1.68 0.00 0.00 37.83 32.66 1sth s LYS 97 CO 0.00 0.17 1.39 1.41 -0.76 0.00 0.00 175.35 177.56 1sth s MET 98 N 0.72 4.13 0.28 1.68 -2.45 -1.26 -0.95 119.30 121.46 1sth s MET 98 Ca 0.12 1.73 -0.03 0.00 -1.25 0.00 0.00 55.69 56.26 1sth s MET 98 Cb -0.13 -3.86 0.38 0.00 1.25 0.00 0.00 34.83 32.48 1sth s MET 98 CO 0.03 -0.85 1.89 0.28 1.05 0.00 0.00 175.02 177.41 1sth h VAL 99 N 5.64 1.22 -0.86 10.11 2.07 -1.02 -1.72 116.25 131.70 1sth h VAL 99 Ca -0.30 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 1sth h VAL 99 Cb 1.12 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1sth h VAL 99 CO 0.98 0.26 0.42 0.78 0.02 0.00 0.00 177.57 180.03 1sth h ASN 100 N 1.02 1.11 -0.09 0.57 4.21 -1.91 -1.69 115.58 118.81 1sth h ASN 100 Ca 0.26 -0.13 -0.18 0.00 1.21 0.00 0.00 56.30 57.45 1sth h ASN 100 Cb 0.07 -0.28 0.01 0.00 -1.12 0.00 0.00 38.32 36.99 1sth h ASN 100 CO -0.04 0.93 -0.66 -0.08 -1.29 0.00 0.00 177.43 176.29 1sth h GLU 101 N 1.21 0.60 -0.64 0.81 4.22 -1.87 -2.99 114.58 115.92 1sth h GLU 101 Ca 0.30 -0.53 0.09 0.00 0.08 0.00 0.00 59.36 59.30 1sth h GLU 101 Cb 0.10 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1sth h GLU 101 CO -0.04 1.15 0.27 0.00 -2.18 0.00 0.00 179.01 178.21 1sth h ALA 102 N 0.46 0.85 -0.27 2.92 0.00 -0.95 0.10 119.26 122.38 1sth h ALA 102 Ca -0.06 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sth h ALA 102 Cb 1.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1sth h ALA 102 CO 0.13 -0.14 0.16 -0.07 0.00 0.00 0.00 179.25 179.33 1sth h LEU 103 N 0.48 0.32 -0.59 0.00 3.38 -1.32 -1.94 115.31 115.63 1sth h LEU 103 Ca 0.32 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1sth h LEU 103 Cb 0.37 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1sth h LEU 103 CO -0.29 0.28 0.18 0.58 0.09 0.00 0.00 178.44 179.28 1sth h VAL 104 N 0.34 1.24 -0.06 1.22 2.07 -1.33 -0.34 116.25 119.39 1sth h VAL 104 Ca 0.10 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1sth h VAL 104 Cb 0.02 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1sth h VAL 104 CO -0.02 0.31 -0.08 -0.09 0.02 0.00 0.00 177.57 177.72 1sth h ARG 105 N 0.84 0.09 -0.01 1.57 9.65 -0.53 -1.59 114.38 124.40 1sth h ARG 105 Ca 0.19 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 1sth h ARG 105 Cb 0.29 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1sth h ARG 105 CO -0.01 0.17 0.00 1.04 2.80 0.00 0.00 179.97 183.97 1sth n GLN 106 N -4.40 1.34 -2.27 0.20 1.13 -0.75 -4.36 117.38 108.26 1sth n GLN 106 Ca -0.02 -0.49 -0.13 0.00 -1.94 0.00 0.00 57.00 54.42 1sth n GLN 106 Cb 0.18 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 29.04 1sth n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sth n GLY 107 N 1.09 -0.14 0.74 1.08 0.00 -0.60 -4.37 105.19 102.98 1sth n GLY 107 Ca 0.21 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1sth n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sth n LEU 108 N -1.85 2.79 -3.53 0.99 4.77 -0.17 -1.16 117.00 118.85 1sth n LEU 108 Ca -0.14 -1.55 -0.14 0.00 -0.03 0.00 0.00 56.01 54.15 1sth n LEU 108 Cb 0.61 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1sth n LEU 108 CO 0.18 0.63 0.34 0.00 -1.33 0.00 0.00 177.39 177.21 1sth s ALA 109 N -1.11 -1.47 0.18 -1.18 0.00 -1.19 -4.36 121.76 112.62 1sth s ALA 109 Ca 0.25 0.71 0.09 0.00 0.00 0.00 0.00 51.96 53.01 1sth s ALA 109 Cb 0.14 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1sth s ALA 109 CO 0.20 -0.54 -0.12 -1.59 0.00 0.00 0.00 175.76 173.71 1sth s LYS 110 N -2.52 1.98 0.02 0.00 -2.85 -0.92 -4.43 119.74 111.03 1sth s LYS 110 Ca -0.05 -1.30 -0.30 0.00 -1.00 0.00 0.00 55.97 53.32 1sth s LYS 110 Cb -0.01 -2.12 -0.05 0.00 -2.06 0.00 0.00 37.83 33.60 1sth s LYS 110 CO -0.02 0.43 1.22 0.08 0.10 0.00 0.00 175.35 177.16 1sth s VAL 111 N -1.69 4.05 0.26 1.79 1.01 -1.26 -0.86 120.40 123.70 1sth s VAL 111 Ca 0.24 1.45 -0.16 0.00 0.00 0.00 0.00 61.98 63.51 1sth s VAL 111 Cb -0.09 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1sth s VAL 111 CO 0.14 0.07 0.57 0.00 0.00 0.00 0.00 175.10 175.88 1sth s ALA 112 N 1.53 -0.61 -1.29 5.51 0.00 -0.48 -4.87 121.76 121.56 1sth s ALA 112 Ca 0.58 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 1sth s ALA 112 Cb -0.28 0.99 -0.00 0.00 0.00 0.00 0.00 23.12 23.82 1sth s ALA 112 CO 0.27 -0.93 0.69 0.66 0.00 0.00 0.00 175.76 176.46 1sth n TYR 113 N -0.41 -1.91 -2.96 0.00 4.01 -1.26 -3.50 117.16 111.13 1sth n TYR 113 Ca -0.03 0.80 -0.44 0.00 -0.16 0.00 0.00 57.90 58.07 1sth n TYR 113 Cb 0.61 -4.24 -0.04 0.00 -0.31 0.00 0.00 39.34 35.36 1sth n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1sth s VAL 114 N -3.66 4.54 -0.29 -0.72 1.01 -1.26 -4.55 120.40 115.46 1sth s VAL 114 Ca 0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1sth s VAL 114 Cb -0.02 -4.62 0.04 0.00 0.00 0.00 0.00 36.38 31.78 1sth s VAL 114 CO 0.82 -1.34 -0.01 -0.31 0.00 0.00 0.00 175.10 174.26 1sth s TYR 115 N 3.46 3.21 0.59 5.22 2.02 -1.26 -5.07 117.35 125.51 1sth s TYR 115 Ca 0.19 -1.73 -0.20 0.00 -0.37 0.00 0.00 57.07 54.96 1sth s TYR 115 Cb -0.19 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.23 1sth s TYR 115 CO 0.07 -0.77 1.29 0.15 -1.57 0.00 0.00 175.55 174.72 1sth s LYS 116 N 1.29 2.93 -0.01 -0.62 1.02 -1.26 -0.78 119.74 122.32 1sth s LYS 116 Ca -0.03 2.05 0.02 0.00 0.02 0.00 0.00 55.97 58.02 1sth s LYS 116 Cb -0.19 -2.04 0.05 0.00 -0.52 0.00 0.00 37.83 35.13 1sth s LYS 116 CO -0.02 -1.30 0.90 -0.35 -0.92 0.00 0.00 175.35 173.67 1sth n PRO 117 N -1.44 1.19 -1.91 -1.68 -0.04 -1.26 -4.99 135.00 124.87 1sth n PRO 117 Ca 0.13 -0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 62.96 1sth n PRO 117 Cb 0.47 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.71 1sth n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sth n ASN 118 N -0.21 7.02 -1.29 3.54 3.02 0.04 -4.37 115.26 123.02 1sth n ASN 118 Ca 0.02 -2.99 0.01 0.00 -0.03 0.00 0.00 54.58 51.59 1sth n ASN 118 Cb 0.14 -1.46 -0.01 0.00 -0.61 0.00 0.00 39.78 37.84 1sth n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1sth n ASN 119 N 3.09 0.36 -0.34 6.41 6.94 -1.26 -4.46 115.26 126.00 1sth n ASN 119 Ca 0.59 -1.98 0.03 0.00 -0.02 0.00 0.00 54.58 53.20 1sth n ASN 119 Cb 0.29 -0.12 0.17 0.00 -2.36 0.00 0.00 39.78 37.76 1sth n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1sth h THR 120 N 6.39 1.02 -0.51 5.53 2.02 -1.98 -2.03 112.91 123.36 1sth h THR 120 Ca -0.31 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1sth h THR 120 Cb 1.72 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1sth h THR 120 CO -0.02 0.19 0.00 1.41 0.37 0.00 0.00 175.52 177.47 1sth n HIS 121 N -4.59 1.64 -0.12 3.16 8.25 -1.26 -4.59 115.22 117.72 1sth n HIS 121 Ca 0.15 -0.59 -0.08 0.00 -0.26 0.00 0.00 57.72 56.94 1sth n HIS 121 Cb 0.22 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.95 1sth n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1sth h GLU 122 N 3.45 0.44 -0.57 -0.41 4.81 -1.74 -1.56 114.58 118.99 1sth h GLU 122 Ca 0.00 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1sth h GLU 122 Cb 1.63 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.89 1sth h GLU 122 CO 0.36 0.29 -0.06 1.96 -0.73 0.00 0.00 179.01 180.83 1sth h GLN 123 N 0.46 1.06 -0.35 1.92 1.08 -1.82 0.35 115.11 117.80 1sth h GLN 123 Ca 0.15 -0.37 0.05 0.00 -1.45 0.00 0.00 58.65 57.02 1sth h GLN 123 Cb -0.00 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 1sth h GLN 123 CO -0.06 1.07 0.10 1.25 -0.95 0.00 0.00 178.83 180.23 1sth h HIS 124 N 0.95 0.17 -0.37 2.96 2.76 -1.85 -0.46 115.15 119.32 1sth h HIS 124 Ca 0.15 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.23 1sth h HIS 124 Cb 0.63 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1sth h HIS 124 CO 0.04 0.06 -0.24 -0.07 -1.30 0.00 0.00 177.93 176.42 1sth h LEU 125 N 0.23 0.74 -0.86 0.26 3.38 -0.74 -2.02 115.31 116.30 1sth h LEU 125 Ca 0.16 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1sth h LEU 125 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1sth h LEU 125 CO -0.19 0.96 0.07 0.03 0.09 0.00 0.00 178.44 179.40 1sth h ARG 126 N 0.64 0.92 -0.46 1.13 3.08 -0.58 -0.37 114.38 118.73 1sth h ARG 126 Ca 0.09 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1sth h ARG 126 Cb 0.74 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1sth h ARG 126 CO 0.06 0.86 0.30 -0.22 -1.07 0.00 0.00 179.97 179.90 1sth h LYS 127 N 0.86 0.61 -0.36 0.04 3.11 -0.76 -0.86 116.57 119.22 1sth h LYS 127 Ca 0.17 -0.04 -0.10 0.00 -2.81 0.00 0.00 60.65 57.87 1sth h LYS 127 Cb 0.41 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.49 1sth h LYS 127 CO 0.01 0.42 -0.18 0.77 -2.81 0.00 0.00 179.45 177.66 1sth h SER 128 N 0.62 0.67 -0.59 4.20 0.02 -1.07 -2.57 113.55 114.83 1sth h SER 128 Ca 0.17 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1sth h SER 128 Cb -0.05 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1sth h SER 128 CO -0.03 0.85 0.08 -0.08 -1.14 0.00 0.00 176.83 176.51 1sth h GLU 129 N 0.60 1.01 -0.68 3.45 4.81 -0.75 -1.36 114.58 121.66 1sth h GLU 129 Ca 0.09 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 1sth h GLU 129 Cb 0.64 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1sth h GLU 129 CO 0.05 0.94 0.35 0.00 -0.73 0.00 0.00 179.01 179.61 1sth h ALA 130 N 1.13 0.87 -0.13 2.92 0.00 -1.02 -0.37 119.26 122.66 1sth h ALA 130 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sth h ALA 130 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sth h ALA 130 CO 0.01 0.41 0.07 0.37 0.00 0.00 0.00 179.25 180.11 1sth h GLN 131 N 0.93 0.19 -0.67 0.00 5.75 -1.24 0.04 115.11 120.12 1sth h GLN 131 Ca 0.24 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.75 1sth h GLN 131 Cb 0.08 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 1sth h GLN 131 CO -0.03 0.23 0.44 0.00 -2.65 0.00 0.00 178.83 176.82 1sth h ALA 132 N 0.95 1.64 -0.18 3.38 0.00 -1.02 -0.01 119.26 124.03 1sth h ALA 132 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1sth h ALA 132 Cb 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1sth h ALA 132 CO -0.01 0.28 -0.24 0.87 0.00 0.00 0.00 179.25 180.15 1sth h LYS 133 N 0.78 0.48 0.00 0.00 1.57 -0.77 -1.08 116.57 117.55 1sth h LYS 133 Ca 0.27 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1sth h LYS 133 Cb 0.09 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1sth h LYS 133 CO -0.08 0.87 -0.32 1.57 -0.57 0.00 0.00 179.45 180.92 1sth h LYS 134 N 0.13 0.00 0.00 3.15 2.10 -0.41 -0.32 116.57 121.22 1sth h LYS 134 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1sth h LYS 134 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1sth h LYS 134 CO 0.06 0.32 0.00 0.39 -2.00 0.00 0.00 179.45 178.22 1sth n GLU 135 N -3.99 0.65 -3.81 0.07 1.02 -0.07 -4.95 120.64 109.57 1sth n GLU 135 Ca -0.02 0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 56.87 1sth n GLU 135 Cb 0.38 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.33 1sth n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sth n LYS 136 N -1.16 -5.23 -2.92 3.49 4.01 -0.13 -4.95 118.16 111.27 1sth n LYS 136 Ca 0.18 0.61 -0.40 0.00 -0.51 0.00 0.00 58.31 58.18 1sth n LYS 136 Cb 0.17 -5.32 -0.05 0.00 -0.51 0.00 0.00 35.03 29.32 1sth n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1sth s LEU 137 N -6.99 4.42 0.00 -0.35 1.43 -0.48 -3.36 118.68 113.35 1sth s LEU 137 Ca 0.33 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1sth s LEU 137 Cb -0.17 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1sth s LEU 137 CO 0.82 -0.06 0.00 0.59 0.23 0.00 0.00 176.35 177.93 1sth n ASN 138 N 3.13 0.00 -0.36 2.29 3.02 -1.26 -0.65 115.26 121.44 1sth n ASN 138 Ca -0.00 0.00 0.26 0.00 -0.03 0.00 0.00 54.58 54.80 1sth n ASN 138 Cb 0.50 0.00 0.52 0.00 -0.61 0.00 0.00 39.78 40.19 1sth n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1sth h ILE 139 N 0.00 0.37 -0.38 2.41 2.04 -1.44 0.38 117.51 120.89 1sth h ILE 139 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1sth h ILE 139 Cb 0.00 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1sth h ILE 139 CO 0.00 0.06 0.00 0.79 0.00 0.00 0.00 178.15 179.00 1sth n TRP 140 N -4.79 0.50 1.74 1.37 7.02 0.18 -5.14 117.44 118.33 1sth n TRP 140 Ca 0.30 -0.25 0.15 0.00 -1.02 0.00 0.00 57.50 56.68 1sth n TRP 140 Cb 1.01 0.00 0.73 0.00 -2.42 0.00 0.00 31.31 30.64 1sth n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54