#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy n PHE 6 N 0.00 -2.67 -0.04 2.11 3.01 -1.26 -5.01 117.46 113.60 3huy n PHE 6 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 3huy n PHE 6 Cb 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.36 3huy n PHE 6 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3huy h GLU 7 N 0.00 0.06 -4.91 -1.08 4.57 -1.68 -3.48 114.58 108.07 3huy h GLU 7 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3huy h GLU 7 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3huy h GLU 7 CO 0.00 0.82 -0.52 -1.91 -1.18 0.00 0.00 179.01 176.22 3huy n GLU 8 N -4.65 -2.24 -3.63 1.92 2.13 -1.25 -4.95 120.64 107.97 3huy n GLU 8 Ca -0.09 2.01 -0.25 0.00 0.66 0.00 0.00 57.16 59.49 3huy n GLU 8 Cb 0.42 -4.99 -0.02 0.00 0.27 0.00 0.00 31.44 27.12 3huy n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3huy s LYS 9 N -2.16 3.50 -0.09 5.31 2.47 0.91 -4.94 119.74 124.73 3huy s LYS 9 Ca 0.17 -0.41 -0.02 0.00 -1.56 0.00 0.00 55.97 54.14 3huy s LYS 9 Cb -0.05 -2.78 0.04 0.00 -1.46 0.00 0.00 37.83 33.58 3huy s LYS 9 CO 0.66 0.31 0.03 1.41 0.16 0.00 0.00 175.35 177.92 3huy s MET 10 N -3.82 0.39 0.00 4.03 -2.45 -1.26 -1.19 119.30 115.00 3huy s MET 10 Ca 0.38 0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.89 3huy s MET 10 Cb -0.10 -1.13 0.00 0.00 1.25 0.00 0.00 34.83 34.85 3huy s MET 10 CO 0.32 -0.40 0.00 0.44 1.05 0.00 0.00 175.02 176.42 3huy n ILE 11 N 5.18 0.00 0.00 10.11 -5.35 -1.05 -5.01 119.36 123.24 3huy n ILE 11 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3huy n ILE 11 Cb 0.49 -1.07 0.00 0.00 -1.74 0.00 0.00 39.64 37.32 3huy n ILE 11 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3huy n LEU 12 N 0.00 0.00 -3.19 7.28 -0.00 -1.26 -4.05 117.00 115.78 3huy n LEU 12 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.02 3huy n LEU 12 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 3huy n LEU 12 CO 0.00 0.00 0.08 -0.63 -0.00 0.00 0.00 177.39 176.84 3huy s ILE 13 N 0.00 -0.92 0.49 1.96 1.01 -1.26 -1.90 121.20 120.59 3huy s ILE 13 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.63 3huy s ILE 13 Cb 0.00 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.51 3huy s ILE 13 CO 0.00 -0.05 0.28 -2.11 0.00 0.00 0.00 174.94 173.06 3huy n ARG 14 N 5.41 0.78 -3.70 2.79 1.85 -0.44 -4.93 116.66 118.41 3huy n ARG 14 Ca 0.03 -3.18 -0.30 0.00 -1.00 0.00 0.00 57.85 53.40 3huy n ARG 14 Cb 0.52 0.47 -0.15 0.00 -1.05 0.00 0.00 32.46 32.26 3huy n ARG 14 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3huy s ARG 15 N -3.96 0.69 -0.46 2.89 3.52 -1.26 -1.61 118.95 118.76 3huy s ARG 15 Ca 0.21 -1.10 -0.15 0.00 -0.13 0.00 0.00 55.73 54.56 3huy s ARG 15 Cb -0.02 -1.90 0.06 0.00 -1.56 0.00 0.00 34.95 31.53 3huy s ARG 15 CO 0.14 -1.01 0.38 0.95 -0.81 0.00 0.00 175.30 174.94 3huy s THR 16 N 1.55 5.23 -0.03 4.11 -4.23 -1.20 -4.95 115.64 116.13 3huy s THR 16 Ca 0.11 -0.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.51 3huy s THR 16 Cb -0.18 -4.08 -0.05 0.00 1.34 0.00 0.00 72.50 69.53 3huy s THR 16 CO -0.24 -0.52 0.44 0.00 -0.54 0.00 0.00 174.62 173.77 3huy s ALA 17 N 1.67 3.62 0.36 3.99 0.00 -1.26 -3.30 121.76 126.84 3huy s ALA 17 Ca 0.05 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 51.89 3huy s ALA 17 Cb -0.23 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 3huy s ALA 17 CO 0.08 0.33 0.33 -0.98 0.00 0.00 0.00 175.76 175.51 3huy s ARG 18 N -0.57 2.68 -0.14 0.00 1.70 -0.53 -4.90 118.95 117.19 3huy s ARG 18 Ca 0.25 -1.36 -0.04 0.00 -0.47 0.00 0.00 55.73 54.11 3huy s ARG 18 Cb -0.16 -2.46 -0.03 0.00 -0.57 0.00 0.00 34.95 31.72 3huy s ARG 18 CO 0.13 0.00 -0.01 -1.64 -1.08 0.00 0.00 175.30 172.71 3huy s MET 19 N -4.04 3.52 -0.11 3.89 -1.94 -1.26 -1.57 119.30 117.79 3huy s MET 19 Ca 0.43 -0.46 -0.06 0.00 -1.71 0.00 0.00 55.69 53.89 3huy s MET 19 Cb -0.05 -2.93 0.04 0.00 2.01 0.00 0.00 34.83 33.90 3huy s MET 19 CO 0.27 0.38 0.26 -1.14 -0.01 0.00 0.00 175.02 174.78 3huy s GLN 20 N -0.01 0.24 -0.02 2.03 -0.44 -0.20 -4.97 119.66 116.29 3huy s GLN 20 Ca 0.02 0.50 -0.18 0.00 -2.50 0.00 0.00 55.36 53.20 3huy s GLN 20 Cb -0.13 -0.05 -0.09 0.00 -1.64 0.00 0.00 33.01 31.10 3huy s GLN 20 CO 0.02 -0.13 0.48 0.00 0.50 0.00 0.00 175.29 176.17 3huy n ALA 21 N 3.90 -1.78 -0.44 1.58 0.00 -1.26 -1.00 120.51 121.52 3huy n ALA 21 Ca -0.22 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3huy n ALA 21 Cb 0.54 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3huy n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huy n GLY 22 N 0.74 0.72 0.00 0.00 0.00 -1.26 -4.94 105.19 100.45 3huy n GLY 22 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3huy n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huy n GLY 23 N -2.01 0.83 3.32 -0.02 0.00 -0.17 -5.10 105.19 102.04 3huy n GLY 23 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 3huy n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3huy s ARG 24 N -2.00 1.63 -0.22 1.61 1.70 -1.26 -1.04 118.95 119.37 3huy s ARG 24 Ca 0.00 -1.08 0.01 0.00 -0.47 0.00 0.00 55.73 54.18 3huy s ARG 24 Cb 0.00 -1.82 0.06 0.00 -0.57 0.00 0.00 34.95 32.62 3huy s ARG 24 CO 0.00 0.46 -0.06 1.03 -1.08 0.00 0.00 175.30 175.65 3huy s ARG 25 N -1.31 1.67 0.00 3.89 0.52 -0.61 -4.94 118.95 118.16 3huy s ARG 25 Ca 0.11 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3huy s ARG 25 Cb -0.10 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.86 3huy s ARG 25 CO 0.02 -0.56 0.00 1.19 0.02 0.00 0.00 175.30 175.98 3huy n PHE 26 N 4.69 0.00 0.00 -0.53 3.01 -1.26 -1.46 117.46 121.91 3huy n PHE 26 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 3huy n PHE 26 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 3huy n PHE 26 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3huy n ARG 27 N 0.00 -0.20 -4.09 -1.08 0.63 -1.21 -4.33 116.66 106.38 3huy n ARG 27 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 3huy n ARG 27 Cb 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.76 3huy n ARG 27 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3huy s PHE 28 N -1.80 0.39 0.07 -0.14 0.40 0.14 -3.24 117.98 113.81 3huy s PHE 28 Ca 0.00 -0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.31 3huy s PHE 28 Cb 0.00 -0.28 -0.04 0.00 0.51 0.00 0.00 43.02 43.21 3huy s PHE 28 CO 0.00 -0.03 -0.04 0.20 0.70 0.00 0.00 175.22 176.05 3huy s GLY 29 N 0.06 1.85 -0.18 4.36 0.00 -0.64 -2.23 107.32 110.54 3huy s GLY 29 Ca -0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 44.72 43.52 3huy s GLY 29 CO -0.00 -1.07 0.41 0.00 0.00 0.00 0.00 173.10 172.44 3huy s ALA 30 N -1.21 -1.09 -0.22 3.20 0.00 -0.45 -1.33 121.76 120.66 3huy s ALA 30 Ca 0.23 1.52 -0.05 0.00 0.00 0.00 0.00 51.96 53.65 3huy s ALA 30 Cb -0.11 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 3huy s ALA 30 CO 0.15 -0.47 0.01 -1.17 0.00 0.00 0.00 175.76 174.28 3huy s LEU 31 N 1.90 3.22 0.26 0.00 1.98 -0.80 0.83 118.68 126.07 3huy s LEU 31 Ca -0.06 -0.24 0.09 0.00 -2.89 0.00 0.00 54.13 51.02 3huy s LEU 31 Cb -0.10 -1.83 -0.05 0.00 0.66 0.00 0.00 46.19 44.87 3huy s LEU 31 CO -0.13 0.02 -0.13 -0.69 -1.89 0.00 0.00 176.35 173.53 3huy s VAL 32 N 1.25 1.98 -0.02 1.68 1.01 0.53 -2.54 120.40 124.28 3huy s VAL 32 Ca 0.04 -2.24 0.01 0.00 0.00 0.00 0.00 61.98 59.78 3huy s VAL 32 Cb -0.15 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.97 3huy s VAL 32 CO 0.01 -0.42 -0.02 -0.69 0.00 0.00 0.00 175.10 173.98 3huy s VAL 33 N -2.81 0.28 -0.06 2.92 1.01 -0.33 0.14 120.40 121.55 3huy s VAL 33 Ca 0.27 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.28 3huy s VAL 33 Cb -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 3huy s VAL 33 CO 0.11 0.14 -0.21 -0.69 0.00 0.00 0.00 175.10 174.46 3huy s VAL 34 N 0.67 2.42 0.00 2.92 1.01 0.97 -0.06 120.40 128.33 3huy s VAL 34 Ca -0.07 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3huy s VAL 34 Cb -0.10 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.37 3huy s VAL 34 CO -0.01 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3huy n GLY 35 N 2.76 2.24 0.00 4.51 0.00 -1.26 0.96 105.19 114.40 3huy n GLY 35 Ca -0.17 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3huy n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3huy n ASP 36 N -0.93 0.00 -0.06 1.61 3.85 -1.14 -1.63 116.55 118.25 3huy n ASP 36 Ca 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 54.79 54.07 3huy n ASP 36 Cb 0.00 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3huy n ASP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3huy n ARG 37 N 0.00 -0.05 -0.00 0.11 1.74 0.14 -4.90 116.66 113.70 3huy n ARG 37 Ca 0.00 0.42 0.01 0.00 -0.77 0.00 0.00 57.85 57.51 3huy n ARG 37 Cb 0.00 -3.95 -0.01 0.00 -1.02 0.00 0.00 32.46 27.48 3huy n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3huy n GLN 38 N -2.58 5.42 0.00 5.56 1.13 -1.24 -4.41 117.38 121.27 3huy n GLN 38 Ca -0.01 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3huy n GLN 38 Cb 0.12 -0.66 0.00 0.00 0.11 0.00 0.00 30.24 29.81 3huy n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3huy n GLY 39 N 1.25 -0.40 2.86 1.08 0.00 -0.47 -5.00 105.19 104.51 3huy n GLY 39 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3huy n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huy s ARG 40 N 0.00 0.70 0.02 1.61 0.52 -1.25 -2.54 118.95 118.01 3huy s ARG 40 Ca 0.00 -0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 3huy s ARG 40 Cb 0.00 -0.80 -0.02 0.00 0.52 0.00 0.00 34.95 34.65 3huy s ARG 40 CO 0.00 -0.13 -0.04 0.14 0.02 0.00 0.00 175.30 175.30 3huy s VAL 41 N 1.10 0.17 -0.09 3.52 -7.23 -1.25 -3.19 120.40 113.44 3huy s VAL 41 Ca -0.08 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 3huy s VAL 41 Cb -0.14 -0.33 0.05 0.00 0.56 0.00 0.00 36.38 36.52 3huy s VAL 41 CO -0.01 -0.49 0.12 -0.83 -0.31 0.00 0.00 175.10 173.58 3huy s GLY 42 N -1.51 0.13 0.17 2.32 0.00 0.27 -2.79 107.32 105.92 3huy s GLY 42 Ca -0.15 0.33 -0.22 0.00 0.00 0.00 0.00 44.72 44.68 3huy s GLY 42 CO -0.01 1.61 0.71 -2.27 0.00 0.00 0.00 173.10 173.15 3huy s LEU 43 N 2.24 4.48 -0.17 0.66 2.96 -1.24 -0.02 118.68 127.59 3huy s LEU 43 Ca 0.04 1.48 -0.06 0.00 -0.22 0.00 0.00 54.13 55.37 3huy s LEU 43 Cb -0.13 -3.33 0.08 0.00 0.50 0.00 0.00 46.19 43.31 3huy s LEU 43 CO -0.06 0.15 0.35 -0.83 -1.32 0.00 0.00 176.35 174.65 3huy s GLY 44 N -1.34 -0.25 -0.34 7.98 0.00 0.37 -4.22 107.32 109.52 3huy s GLY 44 Ca 0.37 1.26 -0.11 0.00 0.00 0.00 0.00 44.72 46.24 3huy s GLY 44 CO 0.23 2.21 0.20 -0.12 0.00 0.00 0.00 173.10 175.61 3huy s PHE 45 N 2.51 3.21 -0.08 1.90 5.36 -1.25 0.20 117.98 129.83 3huy s PHE 45 Ca -0.01 -0.58 0.02 0.00 -0.96 0.00 0.00 56.93 55.40 3huy s PHE 45 Cb -0.12 -2.42 -0.02 0.00 -0.34 0.00 0.00 43.02 40.11 3huy s PHE 45 CO -0.11 -0.49 -0.14 0.20 -1.46 0.00 0.00 175.22 173.22 3huy s GLY 46 N 1.63 1.53 0.28 13.12 0.00 0.24 -4.77 107.32 119.36 3huy s GLY 46 Ca 0.04 -0.94 0.11 0.00 0.00 0.00 0.00 44.72 43.93 3huy s GLY 46 CO 0.08 -0.55 -0.12 0.54 0.00 0.00 0.00 173.10 173.05 3huy s LYS 47 N -0.32 1.92 0.00 2.90 3.01 -1.26 -1.35 119.74 124.64 3huy s LYS 47 Ca 0.03 -1.66 0.00 0.00 -1.01 0.00 0.00 55.97 53.33 3huy s LYS 47 Cb -0.13 -1.91 0.00 0.00 -1.01 0.00 0.00 37.83 34.79 3huy s LYS 47 CO 0.03 0.32 0.00 0.00 0.51 0.00 0.00 175.35 176.20 3huy n ALA 48 N -0.74 0.00 -0.23 5.17 0.00 -0.95 -4.65 120.51 119.11 3huy n ALA 48 Ca -0.05 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.57 3huy n ALA 48 Cb 0.60 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.56 3huy n ALA 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3huy h PRO 49 N 0.00 0.39 -5.61 0.00 0.11 -1.93 0.44 132.00 125.40 3huy h PRO 49 Ca 0.00 -0.02 -0.46 0.00 0.11 0.00 0.00 66.00 65.63 3huy h PRO 49 Cb 0.00 -0.09 -0.17 0.00 0.11 0.00 0.00 31.00 30.85 3huy h PRO 49 CO 0.00 0.26 -0.76 -2.00 -0.21 0.00 0.00 178.00 175.29 3huy s GLU 50 N -5.42 1.16 0.07 1.05 2.56 -1.26 -4.58 118.70 112.27 3huy s GLU 50 Ca -0.08 -1.35 -0.35 0.00 0.00 0.00 0.00 54.97 53.19 3huy s GLU 50 Cb 0.22 -1.08 -0.20 0.00 2.00 0.00 0.00 34.13 35.08 3huy s GLU 50 CO 0.78 0.21 1.61 0.28 -0.56 0.00 0.00 175.26 177.58 3huy h VAL 51 N 3.27 0.23 -0.93 3.70 2.07 -1.94 -2.36 116.25 120.29 3huy h VAL 51 Ca -0.40 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.25 3huy h VAL 51 Cb 1.20 0.23 -0.15 0.00 -1.52 0.00 0.00 31.29 31.06 3huy h VAL 51 CO 0.53 0.00 -0.42 -0.65 0.02 0.00 0.00 177.57 177.05 3huy h PRO 52 N -1.05 -0.03 -0.23 1.57 0.11 -1.98 0.37 132.00 130.75 3huy h PRO 52 Ca -0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3huy h PRO 52 Cb 0.81 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3huy h PRO 52 CO 0.18 -0.02 0.14 -0.07 -0.21 0.00 0.00 178.00 178.02 3huy h LEU 53 N -0.03 0.28 -0.69 2.35 4.07 -1.97 0.93 115.31 120.24 3huy h LEU 53 Ca 0.30 -0.05 0.11 0.00 0.08 0.00 0.00 57.88 58.32 3huy h LEU 53 Cb 0.56 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.15 3huy h LEU 53 CO -0.94 0.25 0.28 0.00 -1.08 0.00 0.00 178.44 176.95 3huy h ALA 54 N 1.04 0.94 -0.34 1.53 0.00 -0.40 2.09 119.26 124.12 3huy h ALA 54 Ca 0.08 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 3huy h ALA 54 Cb 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3huy h ALA 54 CO -0.02 -0.17 -0.40 0.28 0.00 0.00 0.00 179.25 178.94 3huy h VAL 55 N 0.46 1.28 0.01 0.00 2.07 -0.03 0.17 116.25 120.21 3huy h VAL 55 Ca 0.36 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 3huy h VAL 55 Cb 0.47 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3huy h VAL 55 CO -0.34 0.52 -0.00 -0.61 0.02 0.00 0.00 177.57 177.16 3huy h GLN 56 N 0.68 -0.01 -0.76 1.57 -0.00 0.12 0.16 115.11 116.87 3huy h GLN 56 Ca 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.66 3huy h GLN 56 Cb 0.98 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.42 3huy h GLN 56 CO 0.09 0.32 0.33 -0.22 0.00 0.00 0.00 178.83 179.35 3huy h LYS 57 N -0.34 1.12 0.24 1.69 3.64 0.33 0.30 116.57 123.55 3huy h LYS 57 Ca -0.00 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 3huy h LYS 57 Cb 0.34 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3huy h LYS 57 CO 0.00 0.89 -0.12 0.00 -2.27 0.00 0.00 179.45 177.96 3huy h ALA 58 N 1.25 -0.33 -0.99 5.00 0.00 -0.88 -0.85 119.26 122.46 3huy h ALA 58 Ca 0.26 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.29 3huy h ALA 58 Cb 0.17 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 3huy h ALA 58 CO -0.03 -0.66 0.62 0.78 0.00 0.00 0.00 179.25 179.97 3huy h GLY 59 N -0.38 1.48 0.18 0.00 0.00 0.27 -1.22 103.07 103.42 3huy h GLY 59 Ca -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3huy h GLY 59 CO 0.06 -0.08 -0.19 -1.82 0.00 0.00 0.00 176.54 174.50 3huy h TYR 60 N 0.59 -0.54 -0.55 5.60 3.20 0.97 -2.86 116.97 123.38 3huy h TYR 60 Ca 0.57 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.57 3huy h TYR 60 Cb 1.12 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 3huy h TYR 60 CO -0.00 -0.25 0.38 1.88 -1.64 0.00 0.00 178.16 178.52 3huy h TYR 61 N -0.38 0.16 -0.74 -3.82 0.05 -0.69 -2.73 116.97 108.83 3huy h TYR 61 Ca -0.02 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.83 3huy h TYR 61 Cb 0.33 -0.05 -0.10 0.00 1.01 0.00 0.00 36.73 37.91 3huy h TYR 61 CO -0.15 0.07 -0.58 0.00 -1.05 0.00 0.00 178.16 176.46 3huy h ALA 62 N 1.73 -0.65 -0.12 3.88 0.00 -1.01 0.55 119.26 123.64 3huy h ALA 62 Ca 0.26 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3huy h ALA 62 Cb 0.83 1.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 3huy h ALA 62 CO -0.04 -1.01 0.05 0.00 0.00 0.00 0.00 179.25 178.25 3huy h ARG 63 N -0.18 0.16 -0.19 0.00 3.08 -1.55 -1.03 114.38 114.67 3huy h ARG 63 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3huy h ARG 63 Cb 0.49 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3huy h ARG 63 CO -0.79 0.14 0.00 -2.13 -1.07 0.00 0.00 179.97 176.12 3huy n ARG 64 N -4.48 0.67 -2.72 0.04 3.00 0.19 -4.08 116.66 109.28 3huy n ARG 64 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.80 3huy n ARG 64 Cb 0.11 -1.10 0.02 0.00 0.00 0.00 0.00 32.46 31.50 3huy n ARG 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3huy n ASN 65 N -0.31 -2.48 0.00 6.15 5.15 -0.39 -5.03 115.26 118.36 3huy n ASN 65 Ca 0.00 -2.01 0.00 0.00 -0.60 0.00 0.00 54.58 51.97 3huy n ASN 65 Cb 0.05 1.27 0.00 0.00 -0.53 0.00 0.00 39.78 40.57 3huy n ASN 65 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3huy n MET 66 N 2.69 3.73 0.00 1.20 2.81 -1.26 -3.67 117.12 122.62 3huy n MET 66 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 3huy n MET 66 Cb 0.61 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.12 3huy n MET 66 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3huy n VAL 67 N 0.00 0.00 -1.05 2.03 3.14 -1.12 -4.87 118.33 116.46 3huy n VAL 67 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 3huy n VAL 67 Cb 0.00 0.00 0.19 0.00 -1.06 0.00 0.00 33.84 32.97 3huy n VAL 67 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 3huy s GLU 68 N -1.37 0.27 -0.28 1.45 -1.05 -1.26 -3.75 118.70 112.72 3huy s GLU 68 Ca 0.00 0.63 0.01 0.00 -0.15 0.00 0.00 54.97 55.45 3huy s GLU 68 Cb 0.00 -1.71 0.16 0.00 -0.44 0.00 0.00 34.13 32.14 3huy s GLU 68 CO 0.00 -2.87 0.43 0.08 0.95 0.00 0.00 175.26 173.85 3huy s VAL 69 N -2.86 -0.68 -0.90 1.83 1.01 -1.05 -4.78 120.40 112.97 3huy s VAL 69 Ca 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3huy s VAL 69 Cb -0.20 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.24 3huy s VAL 69 CO 0.59 -0.20 0.00 -2.65 0.00 0.00 0.00 175.10 172.84 3huy n PRO 70 N 5.37 0.00 -0.94 2.72 -0.02 -1.26 -4.83 135.00 136.04 3huy n PRO 70 Ca -0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 3huy n PRO 70 Cb 0.50 -1.02 -0.05 0.00 -0.02 0.00 0.00 33.50 32.91 3huy n PRO 70 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3huy n LEU 71 N 0.52 0.35 -3.88 2.45 4.77 -1.26 -4.42 117.00 115.53 3huy n LEU 71 Ca 0.00 0.68 -0.28 0.00 -0.03 0.00 0.00 56.01 56.38 3huy n LEU 71 Cb 0.00 -0.52 -0.12 0.00 -2.33 0.00 0.00 43.42 40.45 3huy n LEU 71 CO 0.00 -0.79 -0.04 0.00 -1.33 0.00 0.00 177.39 175.23 3huy n GLN 72 N 1.60 1.80 -2.17 3.23 6.02 -1.26 -4.84 117.38 121.75 3huy n GLN 72 Ca 0.15 -4.46 -0.01 0.00 -0.01 0.00 0.00 57.00 52.67 3huy n GLN 72 Cb 0.01 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.00 3huy n GLN 72 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3huy n ASN 73 N 1.96 -4.62 0.00 1.08 4.05 -1.26 -3.76 115.26 112.71 3huy n ASN 73 Ca 0.20 0.04 0.00 0.00 0.45 0.00 0.00 54.58 55.28 3huy n ASN 73 Cb 0.36 -2.94 0.00 0.00 1.23 0.00 0.00 39.78 38.42 3huy n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3huy n GLY 74 N -1.09 0.00 0.00 8.20 0.00 -1.26 -4.80 105.19 106.24 3huy n GLY 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3huy n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3huy n THR 75 N -1.92 0.00 -3.49 2.61 5.66 -1.25 0.28 114.28 116.17 3huy n THR 75 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 3huy n THR 75 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 3huy n THR 75 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3huy s ILE 76 N 2.85 0.00 0.46 1.09 2.07 -1.26 -4.25 121.20 122.16 3huy s ILE 76 Ca 0.00 0.00 0.28 0.00 -1.41 0.00 0.00 60.65 59.52 3huy s ILE 76 Cb 0.00 -1.00 0.31 0.00 0.13 0.00 0.00 42.46 41.90 3huy s ILE 76 CO 0.00 0.00 2.13 1.55 -1.91 0.00 0.00 174.94 176.71 3huy h PRO 77 N 2.60 0.00 0.00 3.50 0.13 -1.84 -3.44 132.00 132.95 3huy h PRO 77 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3huy h PRO 77 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3huy h PRO 77 CO 0.38 0.08 0.00 -2.39 -0.23 0.00 0.00 178.00 175.84 3huy n HIS 78 N -3.68 0.00 -2.80 1.56 1.44 -1.26 -5.01 115.22 105.47 3huy n HIS 78 Ca -0.02 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.41 3huy n HIS 78 Cb 0.19 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.29 3huy n HIS 78 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3huy s GLU 79 N -2.00 3.63 0.22 -1.40 4.04 -1.25 -4.71 118.70 117.23 3huy s GLU 79 Ca 0.00 0.25 -0.13 0.00 0.04 0.00 0.00 54.97 55.13 3huy s GLU 79 Cb 0.00 -2.42 0.00 0.00 0.02 0.00 0.00 34.13 31.74 3huy s GLU 79 CO 0.00 -0.10 0.46 0.96 -1.84 0.00 0.00 175.26 174.74 3huy s ILE 80 N -2.54 0.02 -0.17 1.83 -4.36 0.13 -4.96 121.20 111.14 3huy s ILE 80 Ca 0.48 -1.28 -0.04 0.00 -0.26 0.00 0.00 60.65 59.55 3huy s ILE 80 Cb -0.10 -2.01 0.08 0.00 1.25 0.00 0.00 42.46 41.67 3huy s ILE 80 CO 0.39 -0.08 0.23 -1.61 0.24 0.00 0.00 174.94 174.11 3huy s GLU 81 N -3.98 0.16 -0.18 0.37 2.02 -1.26 0.70 118.70 116.54 3huy s GLU 81 Ca 0.19 0.42 -0.03 0.00 0.02 0.00 0.00 54.97 55.57 3huy s GLU 81 Cb -0.00 -0.71 -0.02 0.00 0.10 0.00 0.00 34.13 33.50 3huy s GLU 81 CO 0.05 -0.50 -0.05 0.08 0.02 0.00 0.00 175.26 174.86 3huy s VAL 82 N 2.36 3.62 -0.64 2.63 1.01 -0.88 -4.94 120.40 123.56 3huy s VAL 82 Ca 0.05 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 3huy s VAL 82 Cb -0.14 -2.60 0.17 0.00 0.00 0.00 0.00 36.38 33.80 3huy s VAL 82 CO -0.10 0.46 0.56 -1.61 0.00 0.00 0.00 175.10 174.41 3huy s GLU 83 N 0.81 3.05 -1.25 2.72 2.02 -1.26 -2.87 118.70 121.91 3huy s GLU 83 Ca -0.01 -2.11 -0.15 0.00 0.02 0.00 0.00 54.97 52.71 3huy s GLU 83 Cb -0.15 -4.19 -0.03 0.00 0.10 0.00 0.00 34.13 29.86 3huy s GLU 83 CO 0.02 -1.27 2.22 0.34 0.02 0.00 0.00 175.26 176.59 3huy n PHE 84 N 4.47 2.83 0.00 1.61 7.35 -0.29 -4.72 117.46 128.71 3huy n PHE 84 Ca 0.01 -2.61 0.00 0.00 -0.76 0.00 0.00 57.45 54.09 3huy n PHE 84 Cb 0.42 -2.26 0.00 0.00 0.35 0.00 0.00 39.48 37.99 3huy n PHE 84 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3huy n GLY 85 N 4.15 2.15 0.00 7.13 0.00 -1.26 -3.74 105.19 113.62 3huy n GLY 85 Ca 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3huy n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huy n ALA 86 N 0.00 1.95 -2.52 4.61 0.00 -1.26 -5.02 120.51 118.27 3huy n ALA 86 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3huy n ALA 86 Cb 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 3huy n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3huy s SER 87 N -3.33 7.14 0.44 0.00 0.01 -1.25 -2.55 113.70 114.16 3huy s SER 87 Ca 0.00 1.37 0.06 0.00 1.31 0.00 0.00 55.95 58.68 3huy s SER 87 Cb 0.00 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 3huy s SER 87 CO 0.00 -0.04 0.07 -0.75 0.41 0.00 0.00 173.24 172.93 3huy s LYS 88 N 0.27 2.09 -0.28 12.44 2.20 -0.24 -1.14 119.74 135.07 3huy s LYS 88 Ca 0.39 -2.10 -0.21 0.00 -0.36 0.00 0.00 55.97 53.68 3huy s LYS 88 Cb -0.20 -1.73 0.11 0.00 -1.51 0.00 0.00 37.83 34.51 3huy s LYS 88 CO 0.21 -0.16 0.91 -1.50 -0.36 0.00 0.00 175.35 174.46 3huy s ILE 89 N -2.72 0.00 0.06 5.43 2.07 -1.14 -2.72 121.20 122.18 3huy s ILE 89 Ca 0.31 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.59 3huy s ILE 89 Cb 0.06 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 3huy s ILE 89 CO 0.16 0.00 -0.02 0.68 -1.91 0.00 0.00 174.94 173.85 3huy s VAL 90 N 0.74 3.92 -0.25 4.00 -7.23 -0.80 -2.06 120.40 118.73 3huy s VAL 90 Ca -0.02 -0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 59.21 3huy s VAL 90 Cb -0.05 -2.81 0.09 0.00 0.56 0.00 0.00 36.38 34.17 3huy s VAL 90 CO -0.09 0.22 0.14 -0.76 -0.31 0.00 0.00 175.10 174.30 3huy s LEU 91 N -1.98 0.37 0.25 1.32 1.02 0.22 -2.81 118.68 117.07 3huy s LEU 91 Ca 0.22 -0.96 0.09 0.00 0.02 0.00 0.00 54.13 53.50 3huy s LEU 91 Cb -0.11 -0.20 -0.04 0.00 0.02 0.00 0.00 46.19 45.86 3huy s LEU 91 CO 0.14 -0.40 0.02 -0.54 0.02 0.00 0.00 176.35 175.59 3huy s LYS 92 N 2.15 2.38 0.58 1.70 1.02 0.36 0.20 119.74 128.13 3huy s LYS 92 Ca 0.07 -1.34 -0.03 0.00 0.02 0.00 0.00 55.97 54.69 3huy s LYS 92 Cb -0.16 -2.23 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3huy s LYS 92 CO -0.26 0.38 0.86 -1.25 -0.92 0.00 0.00 175.35 174.16 3huy s PRO 93 N -3.60 2.68 0.06 -1.68 0.04 -1.26 -1.00 135.00 130.24 3huy s PRO 93 Ca 0.31 -0.33 -0.04 0.00 0.04 0.00 0.00 61.00 60.98 3huy s PRO 93 Cb -0.07 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 3huy s PRO 93 CO 0.20 -0.76 0.05 0.00 0.04 0.00 0.00 177.00 176.53 3huy s ALA 94 N -2.92 0.20 0.03 8.56 0.00 -1.13 -4.50 121.76 122.00 3huy s ALA 94 Ca 0.55 -0.92 -0.25 0.00 0.00 0.00 0.00 51.96 51.35 3huy s ALA 94 Cb -0.10 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 3huy s ALA 94 CO 0.42 -0.39 0.76 0.00 0.00 0.00 0.00 175.76 176.55 3huy s ALA 95 N -3.57 3.36 0.15 0.00 0.00 -1.26 -4.69 121.76 115.75 3huy s ALA 95 Ca 0.03 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 3huy s ALA 95 Cb 0.05 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 3huy s ALA 95 CO -0.09 0.05 0.13 -2.30 0.00 0.00 0.00 175.76 173.54 3huy n PRO 96 N 2.91 0.00 -0.06 0.00 -0.02 -1.26 -1.60 135.00 134.97 3huy n PRO 96 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3huy n PRO 96 Cb 0.50 -0.48 0.00 0.00 -0.02 0.00 0.00 33.50 33.50 3huy n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huy n GLY 97 N 1.06 1.96 0.36 -1.23 0.00 -1.26 -4.92 105.19 101.15 3huy n GLY 97 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 3huy n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3huy h THR 98 N 0.00 0.16 0.00 2.61 2.02 -1.60 -3.50 112.91 112.60 3huy h THR 98 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3huy h THR 98 Cb 0.00 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3huy h THR 98 CO 0.00 0.02 0.00 0.61 0.37 0.00 0.00 175.52 176.52 3huy n GLY 99 N -0.65 2.74 3.10 2.16 0.00 -1.22 -4.86 105.19 106.44 3huy n GLY 99 Ca -0.12 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 3huy n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3huy n VAL 100 N -0.38 4.76 -2.26 1.61 0.31 -1.21 -2.09 118.33 119.07 3huy n VAL 100 Ca 0.00 -5.23 -0.35 0.00 -0.01 0.00 0.00 64.34 58.75 3huy n VAL 100 Cb 0.00 -2.31 -0.04 0.00 -0.91 0.00 0.00 33.84 30.58 3huy n VAL 100 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3huy s ILE 101 N -0.99 3.60 0.35 2.52 -4.36 -1.09 -4.89 121.20 116.33 3huy s ILE 101 Ca 0.35 -0.26 -0.03 0.00 -0.26 0.00 0.00 60.65 60.46 3huy s ILE 101 Cb 0.02 -4.41 0.01 0.00 1.25 0.00 0.00 42.46 39.33 3huy s ILE 101 CO 0.03 -1.34 0.49 0.00 0.24 0.00 0.00 174.94 174.36 3huy s ALA 102 N 7.89 0.74 0.39 2.27 0.00 -1.26 -2.84 121.76 128.95 3huy s ALA 102 Ca 0.58 -1.51 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 3huy s ALA 102 Cb -0.06 1.14 -0.09 0.00 0.00 0.00 0.00 23.12 24.11 3huy s ALA 102 CO 0.03 -0.80 0.84 0.20 0.00 0.00 0.00 175.76 176.03 3huy s GLY 103 N -3.24 2.24 0.66 0.00 0.00 -1.26 -4.70 107.32 101.02 3huy s GLY 103 Ca 0.30 0.12 0.13 0.00 0.00 0.00 0.00 44.72 45.27 3huy s GLY 103 CO 0.20 0.35 1.37 0.00 0.00 0.00 0.00 173.10 175.02 3huy h ALA 104 N 1.79 1.83 0.00 3.20 0.00 -2.00 1.27 119.26 125.34 3huy h ALA 104 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3huy h ALA 104 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3huy h ALA 104 CO 0.63 -0.80 -0.30 0.28 0.00 0.00 0.00 179.25 179.06 3huy n VAL 105 N -2.72 0.76 -0.34 0.00 0.31 -1.26 -2.80 118.33 112.29 3huy n VAL 105 Ca 0.01 0.34 0.13 0.00 -0.01 0.00 0.00 64.34 64.81 3huy n VAL 105 Cb 0.80 -1.97 0.34 0.00 -0.91 0.00 0.00 33.84 32.09 3huy n VAL 105 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3huy h PRO 106 N -0.53 0.73 0.37 5.55 0.13 -1.58 -2.54 132.00 134.12 3huy h PRO 106 Ca 0.00 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 3huy h PRO 106 Cb 0.30 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 3huy h PRO 106 CO 0.00 0.48 -0.35 -0.09 -0.23 0.00 0.00 178.00 177.81 3huy h ARG 107 N 0.75 -0.69 -0.29 0.86 2.43 0.14 0.91 114.38 118.49 3huy h ARG 107 Ca 0.55 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.85 3huy h ARG 107 Cb 0.87 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3huy h ARG 107 CO -0.33 -0.46 0.89 0.00 -1.51 0.00 0.00 179.97 178.56 3huy h ALA 108 N -1.18 2.13 -1.88 2.80 0.00 -1.29 -0.66 119.26 119.19 3huy h ALA 108 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3huy h ALA 108 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3huy h ALA 108 CO -0.04 -1.04 0.00 -0.89 0.00 0.00 0.00 179.25 177.28 3huy n ILE 109 N -2.86 0.00 -0.29 0.00 5.41 -0.28 -4.03 119.36 117.32 3huy n ILE 109 Ca 0.06 0.19 0.29 0.00 1.00 0.00 0.00 62.75 64.28 3huy n ILE 109 Cb 0.99 -1.06 0.44 0.00 -0.71 0.00 0.00 39.64 39.30 3huy n ILE 109 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3huy n LEU 110 N -1.71 0.00 0.11 1.39 4.77 0.30 0.72 117.00 122.59 3huy n LEU 110 Ca 0.00 0.67 -0.06 0.00 -0.03 0.00 0.00 56.01 56.59 3huy n LEU 110 Cb 0.00 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3huy n LEU 110 CO 0.00 -0.67 0.15 -0.33 -1.33 0.00 0.00 177.39 175.21 3huy h GLU 111 N 0.00 -0.36 -0.81 3.23 5.08 -1.35 0.20 114.58 120.58 3huy h GLU 111 Ca 0.50 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 59.04 3huy h GLU 111 Cb 2.59 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 31.86 3huy h GLU 111 CO -0.01 -0.23 0.53 -0.07 -1.00 0.00 0.00 179.01 178.24 3huy h LEU 112 N -1.10 0.47 -1.79 1.33 -0.00 0.16 1.23 115.31 115.62 3huy h LEU 112 Ca -0.04 0.03 0.07 0.00 -0.00 0.00 0.00 57.88 57.94 3huy h LEU 112 Cb 0.29 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 3huy h LEU 112 CO 0.06 0.24 0.28 0.00 -0.00 0.00 0.00 178.44 179.02 3huy h ALA 113 N 1.63 2.06 0.00 1.53 0.00 -1.21 0.40 119.26 123.68 3huy h ALA 113 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3huy h ALA 113 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3huy h ALA 113 CO -0.15 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.36 3huy n GLY 114 N -1.54 1.37 3.80 0.00 0.00 0.42 -1.37 105.19 107.87 3huy n GLY 114 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3huy n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huy s VAL 115 N -2.00 4.20 0.00 1.61 1.01 0.69 -4.59 120.40 121.32 3huy s VAL 115 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.55 3huy s VAL 115 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3huy s VAL 115 CO 0.00 -0.11 0.00 0.41 0.00 0.00 0.00 175.10 175.40 3huy n THR 116 N -0.16 0.00 -3.82 3.92 -1.04 0.79 -4.48 114.28 109.50 3huy n THR 116 Ca 0.05 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.76 3huy n THR 116 Cb 0.52 -0.27 -0.15 0.00 -1.82 0.00 0.00 70.33 68.61 3huy n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3huy s ASP 117 N -1.55 4.22 -0.01 8.00 1.01 -0.76 -3.36 116.67 124.22 3huy s ASP 117 Ca 0.00 -1.88 -0.11 0.00 0.71 0.00 0.00 52.55 51.27 3huy s ASP 117 Cb 0.00 -1.11 0.01 0.00 1.01 0.00 0.00 42.92 42.84 3huy s ASP 117 CO 0.00 -0.39 0.23 -0.51 0.21 0.00 0.00 175.17 174.71 3huy s ILE 118 N 1.30 0.06 -0.14 0.77 2.07 -0.89 -2.82 121.20 121.55 3huy s ILE 118 Ca 0.11 -0.52 0.01 0.00 -1.41 0.00 0.00 60.65 58.83 3huy s ILE 118 Cb -0.18 -0.51 -0.00 0.00 0.13 0.00 0.00 42.46 41.89 3huy s ILE 118 CO -0.18 -0.29 -0.16 -0.76 -1.91 0.00 0.00 174.94 171.64 3huy s LEU 119 N -1.22 2.45 0.15 8.50 1.43 -0.17 -2.66 118.68 127.16 3huy s LEU 119 Ca -0.13 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3huy s LEU 119 Cb -0.06 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3huy s LEU 119 CO 0.03 0.11 0.09 0.42 0.23 0.00 0.00 176.35 177.23 3huy s THR 120 N 0.65 0.08 -0.27 5.49 -4.23 -1.13 -0.48 115.64 115.74 3huy s THR 120 Ca -0.09 -1.89 -0.14 0.00 -1.18 0.00 0.00 61.69 58.40 3huy s THR 120 Cb -0.16 -2.12 0.09 0.00 1.34 0.00 0.00 72.50 71.65 3huy s THR 120 CO 0.02 -0.36 0.64 -0.75 -0.54 0.00 0.00 174.62 173.63 3huy s LYS 121 N -4.06 0.63 -0.85 3.99 2.47 -1.12 -4.82 119.74 115.98 3huy s LYS 121 Ca 0.26 1.21 -0.21 0.00 -1.56 0.00 0.00 55.97 55.67 3huy s LYS 121 Cb 0.07 0.25 0.09 0.00 -1.46 0.00 0.00 37.83 36.78 3huy s LYS 121 CO 0.04 -0.16 1.15 -1.21 0.16 0.00 0.00 175.35 175.33 3huy s GLU 122 N 1.86 3.41 0.52 4.03 2.02 -1.26 -1.90 118.70 127.39 3huy s GLU 122 Ca -0.09 -1.22 -0.01 0.00 0.02 0.00 0.00 54.97 53.67 3huy s GLU 122 Cb -0.07 -4.73 0.02 0.00 0.10 0.00 0.00 34.13 29.44 3huy s GLU 122 CO -0.19 -1.91 0.76 -0.51 0.02 0.00 0.00 175.26 173.44 3huy s LEU 123 N 3.82 3.40 0.00 1.80 1.43 -1.10 -4.87 118.68 123.16 3huy s LEU 123 Ca 0.32 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 3huy s LEU 123 Cb -0.08 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.03 3huy s LEU 123 CO -0.02 -0.96 0.00 0.61 0.23 0.00 0.00 176.35 176.21 3huy n GLY 124 N -2.30 2.63 3.89 -3.19 0.00 -1.26 -1.08 105.19 103.88 3huy n GLY 124 Ca 0.04 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 3huy n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3huy s SER 125 N -4.00 5.16 -0.28 1.61 0.15 -1.06 -4.88 113.70 110.40 3huy s SER 125 Ca 0.00 0.97 0.21 0.00 0.70 0.00 0.00 55.95 57.82 3huy s SER 125 Cb 0.00 -1.68 0.49 0.00 -1.71 0.00 0.00 66.02 63.12 3huy s SER 125 CO 0.00 -1.49 1.06 0.54 1.20 0.00 0.00 173.24 174.55 3huy n ARG 126 N -3.06 1.64 -2.31 5.44 1.74 -1.26 -4.05 116.66 114.79 3huy n ARG 126 Ca 0.07 -3.47 -0.43 0.00 -0.77 0.00 0.00 57.85 53.26 3huy n ARG 126 Cb 0.58 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 3huy n ARG 126 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3huy s ASN 127 N -3.59 6.86 0.06 0.55 3.84 -1.26 -4.90 114.94 116.50 3huy s ASN 127 Ca 0.28 1.81 -0.12 0.00 0.21 0.00 0.00 52.86 55.05 3huy s ASN 127 Cb 0.37 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.50 3huy s ASN 127 CO -0.02 -0.82 1.19 -2.65 -2.79 0.00 0.00 177.10 172.02 3huy n PRO 128 N 6.77 -0.17 0.00 0.43 -0.02 -1.26 0.17 135.00 140.93 3huy n PRO 128 Ca 0.15 1.18 0.00 0.00 -2.02 0.00 0.00 63.50 62.81 3huy n PRO 128 Cb 0.44 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3huy n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3huy n ILE 129 N -3.85 0.00 -0.34 4.25 5.41 -1.26 -0.74 119.36 122.82 3huy n ILE 129 Ca 0.01 1.32 0.21 0.00 1.00 0.00 0.00 62.75 65.28 3huy n ILE 129 Cb 0.10 -1.96 0.44 0.00 -0.71 0.00 0.00 39.64 37.51 3huy n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3huy h ASN 130 N 0.00 0.58 0.10 4.38 2.35 -1.87 0.26 115.58 121.39 3huy h ASN 130 Ca 0.00 0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3huy h ASN 130 Cb 0.00 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3huy h ASN 130 CO 0.00 0.05 -0.21 0.40 -1.65 0.00 0.00 177.43 176.02 3huy h ILE 131 N 0.48 0.53 -0.06 2.81 1.08 0.28 -1.82 117.51 120.81 3huy h ILE 131 Ca 0.66 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.13 3huy h ILE 131 Cb 1.42 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.68 3huy h ILE 131 CO -0.45 0.00 -0.12 0.00 -0.69 0.00 0.00 178.15 176.89 3huy h ALA 132 N 0.42 -0.46 -1.08 1.87 0.00 0.17 0.17 119.26 120.35 3huy h ALA 132 Ca 0.03 -0.01 0.38 0.00 0.00 0.00 0.00 54.91 55.31 3huy h ALA 132 Cb 0.41 0.74 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 3huy h ALA 132 CO -0.12 -0.52 0.63 1.88 0.00 0.00 0.00 179.25 181.12 3huy h TYR 133 N -0.11 0.79 -0.18 0.00 -1.99 -1.39 1.02 116.97 115.12 3huy h TYR 133 Ca 0.01 0.03 -0.20 0.00 2.00 0.00 0.00 58.73 60.58 3huy h TYR 133 Cb 0.14 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 38.67 3huy h TYR 133 CO -0.55 -0.27 -0.68 0.00 -0.00 0.00 0.00 178.16 176.66 3huy h ALA 134 N 1.83 0.45 0.32 3.88 0.00 -0.38 -0.33 119.26 125.03 3huy h ALA 134 Ca 0.79 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3huy h ALA 134 Cb 2.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.81 3huy h ALA 134 CO -0.60 0.70 -0.15 1.15 0.00 0.00 0.00 179.25 180.34 3huy h THR 135 N 0.52 0.69 -0.82 0.00 2.02 0.38 0.30 112.91 116.00 3huy h THR 135 Ca -0.02 -0.48 0.17 0.00 0.77 0.00 0.00 66.41 66.85 3huy h THR 135 Cb 1.28 0.94 -0.11 0.00 -1.74 0.00 0.00 68.15 68.52 3huy h THR 135 CO 0.14 0.09 0.34 0.24 0.37 0.00 0.00 175.52 176.70 3huy h MET 136 N -0.70 0.42 -0.52 6.66 2.07 -0.34 1.02 114.93 123.54 3huy h MET 136 Ca -0.04 -0.03 0.03 0.00 -2.07 0.00 0.00 59.70 57.59 3huy h MET 136 Cb 0.48 -0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 30.08 3huy h MET 136 CO 0.07 0.28 0.29 1.49 1.07 0.00 0.00 176.91 180.11 3huy h GLU 137 N 0.43 0.56 0.24 1.72 4.22 -0.75 -0.19 114.58 120.81 3huy h GLU 137 Ca 0.48 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.88 3huy h GLU 137 Cb 0.81 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3huy h GLU 137 CO -0.46 0.37 -0.35 0.00 -2.18 0.00 0.00 179.01 176.39 3huy h ALA 138 N 1.25 -0.96 -0.47 2.92 0.00 0.48 -2.14 119.26 120.35 3huy h ALA 138 Ca 0.22 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3huy h ALA 138 Cb 0.07 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 3huy h ALA 138 CO -0.12 -1.01 -0.30 -0.07 0.00 0.00 0.00 179.25 177.76 3huy h LEU 139 N -0.61 -1.01 -0.40 0.00 3.38 -0.70 0.10 115.31 116.07 3huy h LEU 139 Ca -0.03 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3huy h LEU 139 Cb 0.56 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3huy h LEU 139 CO -0.10 -0.30 0.14 -1.14 0.09 0.00 0.00 178.44 177.13 3huy n ARG 140 N -5.42 0.04 -0.03 1.13 0.63 -0.10 -2.32 116.66 110.58 3huy n ARG 140 Ca 0.03 0.46 -0.16 0.00 -0.92 0.00 0.00 57.85 57.26 3huy n ARG 140 Cb 0.34 -1.77 -0.14 0.00 0.45 0.00 0.00 32.46 31.34 3huy n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3huy n GLN 141 N -1.66 0.70 -0.94 -0.14 1.13 0.36 -5.01 117.38 111.82 3huy n GLN 141 Ca -0.00 0.23 -0.35 0.00 -1.94 0.00 0.00 57.00 54.93 3huy n GLN 141 Cb 0.15 -1.68 0.06 0.00 0.11 0.00 0.00 30.24 28.87 3huy n GLN 141 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3huy n LEU 142 N -3.24 -4.31 -3.59 1.08 4.77 -0.98 -5.04 117.00 105.68 3huy n LEU 142 Ca -0.30 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 3huy n LEU 142 Cb 1.05 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 3huy n LEU 142 CO 0.41 -5.13 0.24 -0.13 -1.33 0.00 0.00 177.39 171.44 3huy s ARG 143 N -2.44 1.04 0.20 3.23 1.81 -1.26 -4.96 118.95 116.58 3huy s ARG 143 Ca 0.44 -0.39 0.11 0.00 -1.72 0.00 0.00 55.73 54.17 3huy s ARG 143 Cb -0.17 0.47 -0.04 0.00 -0.45 0.00 0.00 34.95 34.76 3huy s ARG 143 CO 0.78 -0.39 -0.23 0.95 -0.68 0.00 0.00 175.30 175.73 3huy s THR 144 N -2.89 2.30 0.01 0.02 -4.23 -1.26 -4.70 115.64 104.90 3huy s THR 144 Ca -0.03 -2.08 -0.02 0.00 -1.18 0.00 0.00 61.69 58.38 3huy s THR 144 Cb -0.00 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.71 3huy s THR 144 CO -0.05 -0.19 0.57 0.29 -0.54 0.00 0.00 174.62 174.70 3huy n LYS 145 N 0.12 -0.03 0.00 3.99 4.76 -1.26 -2.00 118.16 123.73 3huy n LYS 145 Ca -0.11 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 3huy n LYS 145 Cb 0.57 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.90 3huy n LYS 145 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3huy n ALA 146 N -2.68 0.00 -0.11 7.82 0.00 -1.26 0.48 120.51 124.76 3huy n ALA 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3huy n ALA 146 Cb 0.02 0.03 0.28 0.00 0.00 0.00 0.00 19.45 19.78 3huy n ALA 146 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3huy h ASP 147 N 0.00 0.69 0.50 0.00 -0.00 -1.91 -1.34 116.42 114.36 3huy h ASP 147 Ca 0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.03 56.95 3huy h ASP 147 Cb 0.00 -0.17 -0.00 0.00 -0.00 0.00 0.00 39.33 39.15 3huy h ASP 147 CO 0.00 0.58 -0.12 0.58 -0.00 0.00 0.00 179.24 180.28 3huy h VAL 148 N 0.77 0.47 -0.02 4.15 2.07 0.06 -2.59 116.25 121.17 3huy h VAL 148 Ca 0.19 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3huy h VAL 148 Cb 0.06 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3huy h VAL 148 CO -0.03 0.12 -0.05 -0.33 0.02 0.00 0.00 177.57 177.30 3huy h GLU 149 N 0.00 0.07 -0.16 1.57 4.39 0.12 -3.31 114.58 117.27 3huy h GLU 149 Ca -0.00 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.67 3huy h GLU 149 Cb 0.40 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3huy h GLU 149 CO 0.02 0.64 -0.26 -0.09 -1.16 0.00 0.00 179.01 178.16 3huy h ARG 150 N -0.48 -0.20 -1.72 2.33 2.43 -1.19 0.17 114.38 115.72 3huy h ARG 150 Ca 0.00 0.01 0.50 0.00 -0.81 0.00 0.00 59.98 59.68 3huy h ARG 150 Cb 0.64 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.17 3huy h ARG 150 CO 0.01 -0.13 1.38 -0.07 -1.51 0.00 0.00 179.97 179.64 3huy h LEU 151 N -0.21 0.00 -7.59 3.80 3.38 -1.66 -2.17 115.31 110.86 3huy h LEU 151 Ca 0.03 0.00 -0.79 0.00 0.09 0.00 0.00 57.88 57.21 3huy h LEU 151 Cb 0.29 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.77 3huy h LEU 151 CO -0.26 0.00 0.51 -0.13 0.09 0.00 0.00 178.44 178.65 3huy s ARG 152 N -4.74 4.17 0.00 1.13 0.52 0.58 -4.93 118.95 115.69 3huy s ARG 152 Ca -0.04 -3.13 0.00 0.00 -0.52 0.00 0.00 55.73 52.04 3huy s ARG 152 Cb 0.23 -4.59 0.00 0.00 0.52 0.00 0.00 34.95 31.11 3huy s ARG 152 CO 0.77 -1.29 0.00 1.63 0.02 0.00 0.00 175.30 176.43 3huy n LYS 153 N 3.01 0.00 0.00 3.54 4.76 -0.82 -4.92 118.16 123.73 3huy n LYS 153 Ca 0.24 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 3huy n LYS 153 Cb 0.40 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 3huy n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3huy n GLY 154 N 0.00 3.17 0.00 0.72 0.00 -1.26 -5.18 105.19 102.64 3huy n GLY 154 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3huy n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11