#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x8e s MET 1 N 0.00 3.58 0.30 3.17 -2.45 -1.26 -5.05 119.30 117.59 1x8e s MET 1 Ca 0.00 -0.28 -0.13 0.00 -1.25 0.00 0.00 55.69 54.04 1x8e s MET 1 Cb 0.00 -3.81 -0.08 0.00 1.25 0.00 0.00 34.83 32.19 1x8e s MET 1 CO 0.00 -0.60 0.68 0.71 1.05 0.00 0.00 175.02 176.86 1x8e s TYR 2 N 2.24 3.40 0.54 4.11 1.51 -1.26 -5.06 117.35 122.83 1x8e s TYR 2 Ca 0.16 1.10 -0.19 0.00 -1.01 0.00 0.00 57.07 57.12 1x8e s TYR 2 Cb -0.16 -2.44 -0.06 0.00 -0.11 0.00 0.00 41.96 39.19 1x8e s TYR 2 CO 0.13 0.13 1.11 0.21 -1.11 0.00 0.00 175.55 176.02 1x8e s LYS 3 N -3.02 3.38 -0.20 -0.62 2.20 -1.26 -4.99 119.74 115.24 1x8e s LYS 3 Ca 0.52 1.55 -0.27 0.00 -0.36 0.00 0.00 55.97 57.41 1x8e s LYS 3 Cb -0.10 -2.02 -0.00 0.00 -1.51 0.00 0.00 37.83 34.20 1x8e s LYS 3 CO 0.20 -0.81 0.93 -2.00 -0.36 0.00 0.00 175.35 173.30 1x8e s GLU 4 N -3.35 4.27 0.57 4.03 2.56 -1.26 -5.04 118.70 120.47 1x8e s GLU 4 Ca 0.71 1.16 -0.17 0.00 0.00 0.00 0.00 54.97 56.68 1x8e s GLU 4 Cb -0.22 -3.61 -0.05 0.00 2.00 0.00 0.00 34.13 32.24 1x8e s GLU 4 CO 0.27 -0.49 1.06 -2.14 -0.56 0.00 0.00 175.26 173.40 1x8e s PRO 5 N 2.71 3.43 0.17 4.30 0.02 -1.26 -5.08 135.00 139.30 1x8e s PRO 5 Ca 0.41 1.25 -0.07 0.00 0.02 0.00 0.00 61.00 62.61 1x8e s PRO 5 Cb -0.16 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.30 1x8e s PRO 5 CO 0.09 -0.73 0.25 -0.59 -0.33 0.00 0.00 177.00 175.69 1x8e s PHE 6 N -2.33 0.59 -0.02 6.54 -0.71 -1.26 -5.17 117.98 115.63 1x8e s PHE 6 Ca 0.65 -0.93 0.05 0.00 -1.04 0.00 0.00 56.93 55.66 1x8e s PHE 6 Cb -0.16 -0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.46 1x8e s PHE 6 CO 0.33 -0.71 -0.18 0.20 -1.34 0.00 0.00 175.22 173.52 1x8e s GLY 7 N -3.02 0.87 0.09 1.99 0.00 -1.26 -5.15 107.32 100.84 1x8e s GLY 7 Ca 0.22 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.24 1x8e s GLY 7 CO 0.03 -0.61 -0.14 -1.34 0.00 0.00 0.00 173.10 171.04 1x8e s VAL 8 N -0.38 1.17 0.13 1.40 -7.23 -1.26 -5.13 120.40 109.10 1x8e s VAL 8 Ca 0.06 -1.45 -0.10 0.00 -1.81 0.00 0.00 61.98 58.68 1x8e s VAL 8 Cb -0.07 -1.23 -0.06 0.00 0.56 0.00 0.00 36.38 35.58 1x8e s VAL 8 CO -0.00 -0.30 0.46 -0.54 -0.31 0.00 0.00 175.10 174.40 1x8e s LYS 9 N -2.07 3.79 -0.05 4.82 1.02 -1.26 -5.04 119.74 120.94 1x8e s LYS 9 Ca 0.02 0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.25 1x8e s LYS 9 Cb -0.08 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1x8e s LYS 9 CO 0.02 0.48 -0.09 0.08 -0.92 0.00 0.00 175.35 174.92 1x8e s VAL 10 N -1.53 0.89 -0.32 3.17 1.01 -1.26 -3.62 120.40 118.74 1x8e s VAL 10 Ca 0.38 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 1x8e s VAL 10 Cb -0.13 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1x8e s VAL 10 CO 0.20 0.30 1.00 -0.62 0.00 0.00 0.00 175.10 175.98 1x8e s ASP 11 N 0.73 6.86 0.55 3.32 -1.08 -0.91 -4.93 116.67 121.21 1x8e s ASP 11 Ca -0.13 0.93 0.34 0.00 -0.52 0.00 0.00 52.55 53.17 1x8e s ASP 11 Cb -0.15 -2.51 1.42 0.00 -1.46 0.00 0.00 42.92 40.22 1x8e s ASP 11 CO 0.02 -0.83 2.00 -0.26 0.52 0.00 0.00 175.17 176.63 1x8e h PHE 12 N 8.13 0.00 0.00 -5.34 -1.00 -1.95 0.73 116.94 117.50 1x8e h PHE 12 Ca -0.21 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.54 1x8e h PHE 12 Cb 1.07 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 1x8e h PHE 12 CO 0.82 0.02 -0.49 0.93 -1.61 0.00 0.00 178.31 177.97 1x8e h GLU 13 N 0.00 0.00 0.00 1.51 4.39 -1.91 -3.40 114.58 115.17 1x8e h GLU 13 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x8e h GLU 13 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1x8e h GLU 13 CO 0.00 0.09 0.00 0.25 -1.16 0.00 0.00 179.01 178.19 1x8e n THR 14 N -2.96 0.00 -0.42 1.13 -2.24 -1.07 -5.01 114.28 103.69 1x8e n THR 14 Ca 0.01 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1x8e n THR 14 Cb 0.59 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 1x8e n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x8e n GLY 15 N 0.34 0.17 3.74 3.38 0.00 0.25 -4.89 105.19 108.19 1x8e n GLY 15 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1x8e n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x8e s ILE 16 N -1.32 2.94 -0.10 -0.61 1.01 -1.25 -4.72 121.20 117.14 1x8e s ILE 16 Ca 0.00 0.79 -0.00 0.00 0.00 0.00 0.00 60.65 61.44 1x8e s ILE 16 Cb 0.00 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1x8e s ILE 16 CO 0.00 0.13 -0.09 -0.63 0.00 0.00 0.00 174.94 174.34 1x8e s ILE 17 N -0.05 3.43 -0.01 2.92 1.01 -1.26 -2.15 121.20 125.09 1x8e s ILE 17 Ca 0.57 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 1x8e s ILE 17 Cb -0.39 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 1x8e s ILE 17 CO 0.41 0.55 1.37 -1.83 0.00 0.00 0.00 174.94 175.44 1x8e s GLU 18 N -0.15 4.29 0.00 2.79 -1.05 -1.24 -3.55 118.70 119.79 1x8e s GLU 18 Ca 0.01 1.91 0.00 0.00 -0.15 0.00 0.00 54.97 56.74 1x8e s GLU 18 Cb -0.13 -3.58 0.00 0.00 -0.44 0.00 0.00 34.13 29.98 1x8e s GLU 18 CO 0.03 -0.56 0.00 0.41 0.95 0.00 0.00 175.26 176.09 1x8e n GLY 19 N 3.60 1.40 3.61 -3.83 0.00 -1.26 -4.87 105.19 103.84 1x8e n GLY 19 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1x8e n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x8e s ALA 20 N -2.32 0.73 -0.65 4.61 0.00 -1.23 -4.94 121.76 117.96 1x8e s ALA 20 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.94 1x8e s ALA 20 Cb 0.00 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.83 1x8e s ALA 20 CO 0.00 -3.12 1.08 0.21 0.00 0.00 0.00 175.76 173.93 1x8e s LYS 21 N -4.61 3.22 0.44 0.00 2.36 -0.89 -4.86 119.74 115.39 1x8e s LYS 21 Ca 0.67 -0.42 -0.21 0.00 -2.55 0.00 0.00 55.97 53.46 1x8e s LYS 21 Cb -0.23 -4.15 -0.10 0.00 -1.05 0.00 0.00 37.83 32.30 1x8e s LYS 21 CO 0.60 -1.83 0.98 0.21 1.55 0.00 0.00 175.35 176.86 1x8e s LYS 22 N 4.64 4.13 -0.21 4.03 2.20 -1.26 -2.64 119.74 130.63 1x8e s LYS 22 Ca 0.30 1.21 -0.16 0.00 -0.36 0.00 0.00 55.97 56.96 1x8e s LYS 22 Cb -0.12 -2.21 0.06 0.00 -1.51 0.00 0.00 37.83 34.05 1x8e s LYS 22 CO 0.15 -0.13 0.54 0.45 -0.36 0.00 0.00 175.35 176.01 1x8e s SER 23 N -2.07 -0.63 -0.07 1.43 0.15 -0.93 -4.99 113.70 106.59 1x8e s SER 23 Ca 0.63 1.13 0.04 0.00 0.70 0.00 0.00 55.95 58.45 1x8e s SER 23 Cb -0.12 1.08 -0.00 0.00 -1.71 0.00 0.00 66.02 65.27 1x8e s SER 23 CO 0.16 -0.20 -0.21 -0.69 1.20 0.00 0.00 173.24 173.50 1x8e s VAL 24 N 0.86 1.79 -0.22 4.45 1.01 -1.26 -1.03 120.40 126.01 1x8e s VAL 24 Ca -0.05 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1x8e s VAL 24 Cb -0.05 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.81 1x8e s VAL 24 CO -0.07 0.50 -0.14 -0.13 0.00 0.00 0.00 175.10 175.26 1x8e s ARG 25 N 0.18 2.79 0.67 2.72 1.81 -0.65 -5.03 118.95 121.45 1x8e s ARG 25 Ca -0.11 -0.98 -0.01 0.00 -1.72 0.00 0.00 55.73 52.91 1x8e s ARG 25 Cb -0.15 -2.76 0.09 0.00 -0.45 0.00 0.00 34.95 31.68 1x8e s ARG 25 CO 0.05 -0.34 0.94 1.03 -0.68 0.00 0.00 175.30 176.30 1x8e s ARG 26 N 1.26 1.96 0.35 3.54 0.52 -1.26 -1.58 118.95 123.74 1x8e s ARG 26 Ca 0.01 -0.93 0.09 0.00 -0.52 0.00 0.00 55.73 54.38 1x8e s ARG 26 Cb -0.16 -2.36 0.64 0.00 0.52 0.00 0.00 34.95 33.60 1x8e s ARG 26 CO -0.09 -1.23 1.81 1.25 0.02 0.00 0.00 175.30 177.06 1x8e h LEU 27 N -0.37 0.16 0.00 2.53 5.85 -1.59 -2.49 115.31 119.40 1x8e h LEU 27 Ca -0.39 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1x8e h LEU 27 Cb 1.28 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1x8e h LEU 27 CO 0.45 0.47 0.00 -1.54 -0.34 0.00 0.00 178.44 177.49 1x8e n SER 28 N -4.13 0.00 -0.98 1.25 3.41 -1.26 -0.96 113.62 110.95 1x8e n SER 28 Ca -0.01 0.34 0.11 0.00 -0.26 0.00 0.00 58.87 59.04 1x8e n SER 28 Cb 0.39 -0.42 0.27 0.00 -0.26 0.00 0.00 64.21 64.19 1x8e n SER 28 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x8e n ASP 29 N -1.42 2.89 -2.51 4.04 8.00 -0.94 -4.44 116.55 122.18 1x8e n ASP 29 Ca 0.05 -1.92 -0.19 0.00 0.71 0.00 0.00 54.79 53.44 1x8e n ASP 29 Cb 0.15 -0.25 0.02 0.00 -0.02 0.00 0.00 41.12 41.02 1x8e n ASP 29 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1x8e n MET 30 N 1.11 2.60 -2.27 -1.24 2.81 -0.14 -4.95 117.12 115.05 1x8e n MET 30 Ca 0.18 -3.99 -0.38 0.00 -1.81 0.00 0.00 57.70 51.70 1x8e n MET 30 Cb 0.50 -1.89 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 1x8e n MET 30 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1x8e s GLU 31 N -3.44 3.94 0.00 0.03 2.12 -1.26 -2.79 118.70 117.31 1x8e s GLU 31 Ca 0.40 1.83 0.00 0.00 0.36 0.00 0.00 54.97 57.57 1x8e s GLU 31 Cb 0.41 -2.58 0.00 0.00 0.26 0.00 0.00 34.13 32.22 1x8e s GLU 31 CO -0.08 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 1x8e n GLY 32 N 0.57 2.77 0.14 -1.50 0.00 -1.26 -4.89 105.19 101.01 1x8e n GLY 32 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1x8e n GLY 32 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x8e h TYR 33 N 0.00 0.73 -3.15 1.61 -1.99 -1.76 -3.46 116.97 108.95 1x8e h TYR 33 Ca 0.00 -0.53 -0.59 0.00 2.00 0.00 0.00 58.73 59.61 1x8e h TYR 33 Cb 0.00 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 38.66 1x8e h TYR 33 CO 0.00 1.67 -0.25 -0.06 -0.00 0.00 0.00 178.16 179.52 1x8e s PHE 34 N -2.58 3.55 0.04 4.88 0.40 -1.26 -5.03 117.98 117.97 1x8e s PHE 34 Ca -0.15 0.76 -0.28 0.00 -0.60 0.00 0.00 56.93 56.66 1x8e s PHE 34 Cb 0.05 -2.14 -0.17 0.00 0.51 0.00 0.00 43.02 41.27 1x8e s PHE 34 CO 0.86 0.48 1.39 0.28 0.70 0.00 0.00 175.22 178.94 1x8e h VAL 35 N 2.66 0.51 -0.81 -0.44 2.07 -1.89 -3.37 116.25 114.98 1x8e h VAL 35 Ca -0.48 -0.31 -0.39 0.00 0.82 0.00 0.00 66.70 66.34 1x8e h VAL 35 Cb 1.19 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 1x8e h VAL 35 CO 0.68 0.05 0.99 -0.62 0.02 0.00 0.00 177.57 178.68 1x8e s ASP 36 N -4.78 5.54 0.41 0.57 -1.08 -1.26 -4.81 116.67 111.25 1x8e s ASP 36 Ca -0.15 -0.97 0.27 0.00 -0.52 0.00 0.00 52.55 51.18 1x8e s ASP 36 Cb 0.03 -2.56 0.86 0.00 -1.46 0.00 0.00 42.92 39.78 1x8e s ASP 36 CO 0.56 -2.40 1.78 -0.08 0.52 0.00 0.00 175.17 175.56 1x8e h GLU 37 N 10.73 0.00 0.22 4.34 4.81 -1.97 -2.93 114.58 129.78 1x8e h GLU 37 Ca 0.14 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.05 1x8e h GLU 37 Cb 1.00 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.41 1x8e h GLU 37 CO 1.27 0.00 -1.43 0.00 -0.73 0.00 0.00 179.01 178.12 1x8e h ARG 38 N 0.00 0.46 -0.93 1.92 3.08 -1.95 -2.71 114.38 114.25 1x8e h ARG 38 Ca 0.00 -0.78 0.06 0.00 0.07 0.00 0.00 59.98 59.33 1x8e h ARG 38 Cb 0.70 0.29 -0.06 0.00 0.08 0.00 0.00 29.97 30.98 1x8e h ARG 38 CO 0.00 1.37 0.59 0.00 -1.07 0.00 0.00 179.97 180.86 1x8e h ALA 39 N 0.12 1.28 -0.58 0.04 0.00 -1.92 -1.12 119.26 117.07 1x8e h ALA 39 Ca -0.26 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1x8e h ALA 39 Cb 2.05 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 1x8e h ALA 39 CO 0.22 0.36 0.33 2.35 0.00 0.00 0.00 179.25 182.51 1x8e h TRP 40 N 1.08 0.60 -0.26 0.00 7.01 -1.55 -0.87 115.95 121.96 1x8e h TRP 40 Ca 0.40 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.39 1x8e h TRP 40 Cb 0.16 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1x8e h TRP 40 CO -0.02 0.31 0.04 -0.22 -2.79 0.00 0.00 178.44 175.77 1x8e h LYS 41 N 0.63 0.43 -0.68 2.65 1.63 -0.97 -2.34 116.57 117.92 1x8e h LYS 41 Ca 0.25 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1x8e h LYS 41 Cb 0.11 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 1x8e h LYS 41 CO -0.14 0.55 0.38 1.49 -3.45 0.00 0.00 179.45 178.28 1x8e h GLU 42 N 0.25 0.93 0.00 1.90 4.81 -1.00 -2.77 114.58 118.70 1x8e h GLU 42 Ca 0.08 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1x8e h GLU 42 Cb 0.33 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1x8e h GLU 42 CO 0.00 0.67 -0.28 1.25 -0.73 0.00 0.00 179.01 179.92 1x8e h LEU 43 N 0.94 0.00 0.29 1.64 7.12 -1.08 -3.17 115.31 121.05 1x8e h LEU 43 Ca 0.24 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.24 1x8e h LEU 43 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1x8e h LEU 43 CO -0.04 0.28 -0.14 0.58 -0.13 0.00 0.00 178.44 178.99 1x8e h VAL 44 N 0.00 0.00 -0.65 1.05 2.07 -1.14 -1.73 116.25 115.85 1x8e h VAL 44 Ca -0.00 -0.46 0.15 0.00 0.82 0.00 0.00 66.70 67.22 1x8e h VAL 44 Cb 1.21 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1x8e h VAL 44 CO 0.04 0.00 0.45 -0.33 0.02 0.00 0.00 177.57 177.74 1x8e h GLU 45 N -0.85 0.19 0.00 1.57 5.08 -1.64 -1.34 114.58 117.59 1x8e h GLU 45 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1x8e h GLU 45 Cb 0.30 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1x8e h GLU 45 CO 0.07 0.12 -0.97 1.63 -1.00 0.00 0.00 179.01 178.86 1x8e n LYS 46 N -4.42 0.16 0.02 2.33 4.76 -1.20 -4.81 118.16 114.99 1x8e n LYS 46 Ca 0.12 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1x8e n LYS 46 Cb 0.58 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1x8e n LYS 46 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1x8e n GLU 47 N -1.73 0.00 -3.27 1.97 2.13 -1.13 -5.07 120.64 113.54 1x8e n GLU 47 Ca 0.03 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.72 1x8e n GLU 47 Cb 0.39 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.14 1x8e n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1x8e n ASP 48 N -2.58 -6.77 -4.71 4.31 2.03 -0.52 -4.92 116.55 103.39 1x8e n ASP 48 Ca 0.00 -0.56 -0.30 0.00 0.52 0.00 0.00 54.79 54.45 1x8e n ASP 48 Cb 0.00 -4.84 0.14 0.00 -0.72 0.00 0.00 41.12 35.69 1x8e n ASP 48 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x8e s PRO 49 N -4.19 1.40 -0.03 -0.67 0.04 -1.26 -4.59 135.00 125.70 1x8e s PRO 49 Ca 0.30 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 1x8e s PRO 49 Cb -0.05 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1x8e s PRO 49 CO 0.77 -2.23 1.10 0.08 0.04 0.00 0.00 177.00 176.76 1x8e s VAL 50 N -2.82 4.48 -0.18 -0.36 1.01 -1.26 -1.75 120.40 119.53 1x8e s VAL 50 Ca 0.64 1.78 -0.13 0.00 0.00 0.00 0.00 61.98 64.27 1x8e s VAL 50 Cb -0.19 -4.14 -0.22 0.00 0.00 0.00 0.00 36.38 31.83 1x8e s VAL 50 CO 0.57 0.07 0.22 0.52 0.00 0.00 0.00 175.10 176.48 1x8e n VAL 51 N 4.25 1.65 -3.50 2.92 0.31 -0.61 -4.66 118.33 118.69 1x8e n VAL 51 Ca 0.09 -0.37 -0.16 0.00 -0.01 0.00 0.00 64.34 63.88 1x8e n VAL 51 Cb 0.48 -1.86 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 1x8e n VAL 51 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1x8e s TYR 52 N -2.47 -0.61 -0.07 3.52 -0.85 -1.09 -0.80 117.35 114.98 1x8e s TYR 52 Ca -0.27 0.91 0.01 0.00 -0.52 0.00 0.00 57.07 57.20 1x8e s TYR 52 Cb 0.07 0.45 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 1x8e s TYR 52 CO 0.67 -0.65 -0.07 -1.21 -1.52 0.00 0.00 175.55 172.76 1x8e s GLU 53 N -1.81 2.78 0.07 -3.49 2.02 0.03 -1.64 118.70 116.66 1x8e s GLU 53 Ca -0.08 -0.55 0.10 0.00 0.02 0.00 0.00 54.97 54.46 1x8e s GLU 53 Cb -0.00 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 1x8e s GLU 53 CO 0.04 0.64 -0.26 0.08 0.02 0.00 0.00 175.26 175.78 1x8e s VAL 54 N -0.75 2.23 -0.48 2.63 1.01 -0.20 -1.33 120.40 123.51 1x8e s VAL 54 Ca 0.11 -1.49 0.03 0.00 0.00 0.00 0.00 61.98 60.64 1x8e s VAL 54 Cb -0.11 -1.91 0.14 0.00 0.00 0.00 0.00 36.38 34.50 1x8e s VAL 54 CO 0.01 0.28 0.28 -0.31 0.00 0.00 0.00 175.10 175.36 1x8e s TYR 55 N -0.89 2.31 0.04 5.22 1.51 -0.22 -2.18 117.35 123.15 1x8e s TYR 55 Ca 0.13 -2.66 -0.12 0.00 -1.01 0.00 0.00 57.07 53.41 1x8e s TYR 55 Cb -0.10 -2.08 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 1x8e s TYR 55 CO 0.04 -0.75 0.40 0.00 -1.11 0.00 0.00 175.55 174.13 1x8e s ALA 56 N 0.02 3.71 -0.47 3.71 0.00 -1.08 -2.67 121.76 124.98 1x8e s ALA 56 Ca 0.19 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.87 1x8e s ALA 56 Cb -0.21 -2.32 0.13 0.00 0.00 0.00 0.00 23.12 20.73 1x8e s ALA 56 CO -0.03 0.53 0.25 0.08 0.00 0.00 0.00 175.76 176.59 1x8e s VAL 57 N -1.26 1.74 -0.01 0.00 1.01 0.28 -2.10 120.40 120.05 1x8e s VAL 57 Ca 0.29 -2.80 0.02 0.00 0.00 0.00 0.00 61.98 59.50 1x8e s VAL 57 Cb -0.15 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1x8e s VAL 57 CO 0.16 -0.87 -0.05 -1.61 0.00 0.00 0.00 175.10 172.73 1x8e s GLU 58 N 0.14 2.67 0.06 2.72 2.02 -1.26 -2.04 118.70 123.01 1x8e s GLU 58 Ca 0.18 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1x8e s GLU 58 Cb -0.24 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 31.42 1x8e s GLU 58 CO -0.00 0.62 0.08 1.04 0.02 0.00 0.00 175.26 177.02 1x8e n GLN 59 N 1.65 0.72 -2.70 1.61 1.13 -1.26 -5.06 117.38 113.46 1x8e n GLN 59 Ca -0.16 -0.25 -0.42 0.00 -1.94 0.00 0.00 57.00 54.23 1x8e n GLN 59 Cb 0.53 -0.04 -0.03 0.00 0.11 0.00 0.00 30.24 30.80 1x8e n GLN 59 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1x8e s GLU 60 N -2.46 4.53 0.00 -1.09 2.02 -1.26 -4.95 118.70 115.49 1x8e s GLU 60 Ca 0.06 1.42 0.00 0.00 0.02 0.00 0.00 54.97 56.46 1x8e s GLU 60 Cb -0.00 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1x8e s GLU 60 CO 0.04 -0.10 0.62 0.39 0.02 0.00 0.00 175.26 176.23 1x8e n GLU 61 N 4.10 0.00 -3.62 1.61 4.71 -1.26 -4.91 120.64 121.27 1x8e n GLU 61 Ca 0.07 -0.31 -0.29 0.00 -0.01 0.00 0.00 57.16 56.61 1x8e n GLU 61 Cb 0.51 -1.62 -0.04 0.00 -1.01 0.00 0.00 31.44 29.28 1x8e n GLU 61 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1x8e s LYS 62 N 3.48 3.58 0.29 3.49 2.20 -1.26 -4.39 119.74 127.13 1x8e s LYS 62 Ca 0.00 -0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.14 1x8e s LYS 62 Cb 0.00 -2.81 -0.10 0.00 -1.51 0.00 0.00 37.83 33.41 1x8e s LYS 62 CO 0.00 0.39 1.40 -2.00 -0.36 0.00 0.00 175.35 174.78 1x8e s GLU 63 N -3.10 4.28 0.00 4.03 2.12 -1.26 -2.52 118.70 122.25 1x8e s GLU 63 Ca 0.40 2.30 0.00 0.00 0.36 0.00 0.00 54.97 58.04 1x8e s GLU 63 Cb -0.11 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1x8e s GLU 63 CO 0.27 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 1x8e n GLY 64 N 1.52 3.06 3.89 -1.50 0.00 -1.26 -5.06 105.19 105.85 1x8e n GLY 64 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1x8e n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x8e s ASP 65 N 0.43 6.33 -0.05 1.61 -1.08 -1.05 -4.96 116.67 117.90 1x8e s ASP 65 Ca 0.00 1.09 0.06 0.00 -0.52 0.00 0.00 52.55 53.18 1x8e s ASP 65 Cb 0.00 -2.32 -0.01 0.00 -1.46 0.00 0.00 42.92 39.13 1x8e s ASP 65 CO 0.00 -0.59 -0.23 -0.76 0.52 0.00 0.00 175.17 174.11 1x8e s LEU 66 N -4.59 2.03 0.08 -1.34 1.43 -1.26 -1.07 118.68 113.95 1x8e s LEU 66 Ca 0.50 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1x8e s LEU 66 Cb -0.10 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 1x8e s LEU 66 CO 0.43 0.23 0.30 0.20 0.23 0.00 0.00 176.35 177.74 1x8e s ASN 67 N -0.19 6.46 0.30 2.29 0.01 -0.71 -4.59 114.94 118.51 1x8e s ASN 67 Ca -0.01 0.49 0.06 0.00 -0.71 0.00 0.00 52.86 52.69 1x8e s ASN 67 Cb -0.12 -2.05 -0.06 0.00 0.41 0.00 0.00 41.25 39.42 1x8e s ASN 67 CO 0.02 0.15 -0.02 0.72 -1.51 0.00 0.00 177.10 176.47 1x8e s PHE 68 N -1.50 1.99 -0.28 2.20 -0.12 -0.87 -2.11 117.98 117.30 1x8e s PHE 68 Ca 0.35 -0.78 -0.15 0.00 -0.05 0.00 0.00 56.93 56.30 1x8e s PHE 68 Cb -0.13 -1.21 0.08 0.00 -0.63 0.00 0.00 43.02 41.14 1x8e s PHE 68 CO 0.23 0.20 0.67 0.00 -0.05 0.00 0.00 175.22 176.27 1x8e s ALA 69 N -3.08 -1.85 0.05 1.99 0.00 -0.02 -0.56 121.76 118.28 1x8e s ALA 69 Ca 0.32 2.37 -0.06 0.00 0.00 0.00 0.00 51.96 54.59 1x8e s ALA 69 Cb 0.06 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 1x8e s ALA 69 CO 0.13 -0.43 0.30 0.95 0.00 0.00 0.00 175.76 176.71 1x8e s THR 70 N 1.76 5.26 -0.07 0.00 -4.23 -1.09 -0.21 115.64 117.06 1x8e s THR 70 Ca -0.10 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 1x8e s THR 70 Cb -0.06 -3.59 0.01 0.00 1.34 0.00 0.00 72.50 70.20 1x8e s THR 70 CO -0.19 0.27 -0.16 -0.89 -0.54 0.00 0.00 174.62 173.11 1x8e s THR 71 N -1.40 1.43 -0.41 3.99 2.01 -0.11 -1.05 115.64 120.10 1x8e s THR 71 Ca 0.31 -0.66 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 1x8e s THR 71 Cb -0.13 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1x8e s THR 71 CO 0.19 0.42 0.44 -0.69 -0.69 0.00 0.00 174.62 174.29 1x8e s VAL 72 N 0.51 5.08 -0.43 3.82 1.01 -0.44 -1.81 120.40 128.13 1x8e s VAL 72 Ca -0.15 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 1x8e s VAL 72 Cb -0.16 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.26 1x8e s VAL 72 CO 0.05 -0.37 0.32 -0.22 0.00 0.00 0.00 175.10 174.88 1x8e s LEU 73 N 2.18 5.29 0.66 3.92 0.20 0.98 -0.79 118.68 131.12 1x8e s LEU 73 Ca 0.13 -1.21 -0.14 0.00 0.69 0.00 0.00 54.13 53.60 1x8e s LEU 73 Cb -0.17 -2.12 -0.00 0.00 -0.43 0.00 0.00 46.19 43.47 1x8e s LEU 73 CO 0.14 -0.54 1.08 -0.31 -0.29 0.00 0.00 176.35 176.43 1x8e s TYR 74 N 1.60 2.80 0.53 5.38 2.02 0.02 -1.42 117.35 128.27 1x8e s TYR 74 Ca 0.04 1.52 -0.19 0.00 -0.37 0.00 0.00 57.07 58.07 1x8e s TYR 74 Cb -0.22 -3.06 -0.07 0.00 -0.40 0.00 0.00 41.96 38.21 1x8e s TYR 74 CO 0.07 -1.46 1.07 -1.25 -1.57 0.00 0.00 175.55 172.41 1x8e s PRO 75 N -4.34 3.56 0.00 -1.71 0.04 -1.26 -4.81 135.00 126.48 1x8e s PRO 75 Ca 0.64 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1x8e s PRO 75 Cb -0.18 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1x8e s PRO 75 CO 0.44 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1x8e n GLY 76 N -0.24 -2.46 3.18 0.56 0.00 -1.26 -4.98 105.19 99.98 1x8e n GLY 76 Ca 0.10 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 1x8e n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x8e s LYS 77 N -1.95 0.56 -0.55 1.61 1.02 -1.26 -2.45 119.74 116.73 1x8e s LYS 77 Ca 0.00 -0.23 0.04 0.00 0.02 0.00 0.00 55.97 55.80 1x8e s LYS 77 Cb 0.00 0.24 0.14 0.00 -0.52 0.00 0.00 37.83 37.69 1x8e s LYS 77 CO 0.00 -0.14 0.31 0.08 -0.92 0.00 0.00 175.35 174.68 1x8e s VAL 78 N -1.23 2.41 0.00 3.17 1.01 -0.29 -4.95 120.40 120.53 1x8e s VAL 78 Ca -0.13 -3.40 0.00 0.00 0.00 0.00 0.00 61.98 58.45 1x8e s VAL 78 Cb -0.06 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1x8e s VAL 78 CO 0.03 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 174.87 1x8e n GLY 79 N 2.92 1.78 0.26 4.51 0.00 -1.26 -2.46 105.19 110.93 1x8e n GLY 79 Ca 0.09 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1x8e n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x8e n LYS 80 N 5.72 1.92 -3.58 1.61 5.02 -1.26 -5.01 118.16 122.59 1x8e n LYS 80 Ca 0.00 -0.58 -0.38 0.00 -2.02 0.00 0.00 58.31 55.33 1x8e n LYS 80 Cb 0.00 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 1x8e n LYS 80 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x8e s GLU 81 N -1.90 3.86 0.37 1.97 2.12 -1.03 -1.01 118.70 123.09 1x8e s GLU 81 Ca 0.11 0.26 -0.25 0.00 0.36 0.00 0.00 54.97 55.45 1x8e s GLU 81 Cb 0.12 -3.24 -0.09 0.00 0.26 0.00 0.00 34.13 31.17 1x8e s GLU 81 CO 0.42 0.64 1.03 -0.06 -0.54 0.00 0.00 175.26 176.75 1x8e s PHE 82 N -0.84 3.39 0.43 5.30 0.40 -0.44 -1.14 117.98 125.07 1x8e s PHE 82 Ca 0.21 1.68 -0.25 0.00 -0.60 0.00 0.00 56.93 57.97 1x8e s PHE 82 Cb -0.15 -3.08 -0.10 0.00 0.51 0.00 0.00 43.02 40.20 1x8e s PHE 82 CO 0.10 -0.42 1.22 1.19 0.70 0.00 0.00 175.22 178.02 1x8e n PHE 83 N 0.14 1.95 -3.97 0.36 3.01 -1.02 -4.85 117.46 113.08 1x8e n PHE 83 Ca 0.04 0.51 -0.09 0.00 1.01 0.00 0.00 57.45 58.92 1x8e n PHE 83 Cb 0.49 -2.35 -0.05 0.00 -0.01 0.00 0.00 39.48 37.57 1x8e n PHE 83 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1x8e s PHE 84 N -1.22 0.25 0.81 1.38 -0.12 -1.26 -1.98 117.98 115.84 1x8e s PHE 84 Ca 0.62 -0.63 -0.12 0.00 -0.05 0.00 0.00 56.93 56.75 1x8e s PHE 84 Cb -0.51 0.29 0.08 0.00 -0.63 0.00 0.00 43.02 42.24 1x8e s PHE 84 CO 0.57 -1.04 1.15 0.95 -0.05 0.00 0.00 175.22 176.80 1x8e s THR 85 N -4.00 2.40 0.28 -4.49 -4.23 -0.68 -4.91 115.64 100.02 1x8e s THR 85 Ca 0.20 0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.88 1x8e s THR 85 Cb -0.02 -3.06 0.05 0.00 1.34 0.00 0.00 72.50 70.81 1x8e s THR 85 CO 0.08 -0.17 1.71 0.11 -0.54 0.00 0.00 174.62 175.81 1x8e h LYS 86 N -1.06 0.39 0.00 3.99 1.57 -1.96 -3.43 116.57 116.07 1x8e h LYS 86 Ca -0.47 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1x8e h LYS 86 Cb 1.31 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1x8e h LYS 86 CO 0.64 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 180.60 1x8e n GLY 87 N -0.28 2.25 3.70 3.86 0.00 -1.26 -4.91 105.19 108.55 1x8e n GLY 87 Ca -0.01 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 1x8e n GLY 87 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x8e s HIS 88 N 0.00 3.43 -0.13 1.61 0.09 -0.83 -4.95 115.29 114.52 1x8e s HIS 88 Ca 0.00 0.68 0.02 0.00 -0.00 0.00 0.00 55.06 55.75 1x8e s HIS 88 Cb 0.00 -2.48 0.01 0.00 -0.00 0.00 0.00 32.58 30.11 1x8e s HIS 88 CO 0.00 0.10 -0.18 0.12 -0.00 0.00 0.00 174.74 174.78 1x8e s PHE 89 N 0.93 2.27 0.72 1.40 2.19 -1.26 -2.44 117.98 121.79 1x8e s PHE 89 Ca 0.20 -1.13 -0.11 0.00 0.33 0.00 0.00 56.93 56.22 1x8e s PHE 89 Cb -0.14 -1.60 0.02 0.00 -1.31 0.00 0.00 43.02 39.99 1x8e s PHE 89 CO 0.07 -0.56 1.07 -1.01 1.83 0.00 0.00 175.22 176.63 1x8e s HIS 90 N 0.99 2.96 -0.15 10.12 3.76 -1.26 -2.29 115.29 129.42 1x8e s HIS 90 Ca -0.05 1.45 -0.24 0.00 -0.15 0.00 0.00 55.06 56.06 1x8e s HIS 90 Cb -0.15 -2.93 -0.25 0.00 1.11 0.00 0.00 32.58 30.36 1x8e s HIS 90 CO -0.03 -1.41 0.58 0.00 -0.85 0.00 0.00 174.74 173.04 1x8e h ALA 91 N -0.84 0.10 -2.17 -1.40 0.00 -1.32 -3.39 119.26 110.23 1x8e h ALA 91 Ca -0.44 -0.82 -0.65 0.00 0.00 0.00 0.00 54.91 53.00 1x8e h ALA 91 Cb 1.22 0.30 -0.15 0.00 0.00 0.00 0.00 17.79 19.16 1x8e h ALA 91 CO 0.55 0.37 0.15 0.15 0.00 0.00 0.00 179.25 180.48 1x8e s LYS 92 N -2.32 3.31 0.20 0.00 1.02 -0.47 -4.98 119.74 116.50 1x8e s LYS 92 Ca -0.22 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.48 1x8e s LYS 92 Cb 0.01 -3.94 0.11 0.00 -0.52 0.00 0.00 37.83 33.49 1x8e s LYS 92 CO 0.69 -1.01 1.46 -0.07 -0.92 0.00 0.00 175.35 175.50 1x8e h LEU 93 N 9.73 0.29 -2.83 3.17 3.38 -1.88 -3.24 115.31 123.93 1x8e h LEU 93 Ca -0.25 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 1x8e h LEU 93 Cb 1.10 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.66 1x8e h LEU 93 CO 0.90 0.93 0.22 -0.90 0.09 0.00 0.00 178.44 179.68 1x8e n ASP 94 N -3.77 3.49 -4.75 -0.43 3.85 -1.26 -1.03 116.55 112.65 1x8e n ASP 94 Ca -0.03 -2.74 -0.40 0.00 -0.71 0.00 0.00 54.79 50.91 1x8e n ASP 94 Cb 0.72 -0.65 -0.05 0.00 -1.35 0.00 0.00 41.12 39.78 1x8e n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1x8e s ARG 95 N -1.87 4.69 0.70 0.11 3.00 -1.22 -4.59 118.95 119.77 1x8e s ARG 95 Ca 0.31 1.70 -0.05 0.00 0.00 0.00 0.00 55.73 57.70 1x8e s ARG 95 Cb 0.25 -3.23 0.08 0.00 0.00 0.00 0.00 34.95 32.05 1x8e s ARG 95 CO 0.07 0.27 0.99 0.00 0.00 0.00 0.00 175.30 176.63 1x8e s ALA 96 N -1.00 3.34 -0.02 2.13 0.00 -1.26 -3.76 121.76 121.20 1x8e s ALA 96 Ca 0.44 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 1x8e s ALA 96 Cb -0.30 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 20.45 1x8e s ALA 96 CO 0.38 -1.32 0.19 -1.21 0.00 0.00 0.00 175.76 173.80 1x8e s GLU 97 N -5.18 0.48 -0.15 0.00 2.02 -0.61 -4.32 118.70 110.93 1x8e s GLU 97 Ca 0.62 -0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.38 1x8e s GLU 97 Cb -0.09 0.21 0.02 0.00 0.10 0.00 0.00 34.13 34.37 1x8e s GLU 97 CO 0.44 -0.11 -0.16 0.08 0.02 0.00 0.00 175.26 175.52 1x8e s VAL 98 N -1.10 1.72 0.12 2.63 1.01 -0.40 -1.50 120.40 122.88 1x8e s VAL 98 Ca -0.12 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1x8e s VAL 98 Cb -0.06 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1x8e s VAL 98 CO 0.02 0.48 0.22 -0.31 0.00 0.00 0.00 175.10 175.51 1x8e s TYR 99 N 1.38 3.41 -0.04 5.22 1.51 -0.31 -1.19 117.35 127.33 1x8e s TYR 99 Ca 0.04 0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 56.21 1x8e s TYR 99 Cb -0.13 -1.67 0.03 0.00 -0.11 0.00 0.00 41.96 40.09 1x8e s TYR 99 CO -0.11 0.54 0.07 0.08 -1.11 0.00 0.00 175.55 175.02 1x8e s VAL 100 N -1.64 -0.12 0.09 0.71 1.01 0.81 -1.60 120.40 119.66 1x8e s VAL 100 Ca 0.34 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 1x8e s VAL 100 Cb -0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 36.38 36.05 1x8e s VAL 100 CO 0.27 0.17 1.08 0.00 0.00 0.00 0.00 175.10 176.62 1x8e s ALA 101 N 2.09 3.31 -0.04 5.51 0.00 -0.54 -1.03 121.76 131.06 1x8e s ALA 101 Ca 0.04 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 1x8e s ALA 101 Cb -0.12 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1x8e s ALA 101 CO -0.03 -0.25 -0.04 1.28 0.00 0.00 0.00 175.76 176.72 1x8e n LEU 102 N 3.25 1.68 -3.65 0.00 4.77 -0.51 -2.48 117.00 120.05 1x8e n LEU 102 Ca 0.05 0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1x8e n LEU 102 Cb 0.48 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1x8e n LEU 102 CO 0.53 0.33 0.22 -0.75 -1.33 0.00 0.00 177.39 176.39 1x8e s LYS 103 N -2.07 0.54 0.00 3.23 2.20 -1.15 -4.79 119.74 117.71 1x8e s LYS 103 Ca -0.05 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1x8e s LYS 103 Cb 0.02 0.61 0.00 0.00 -1.51 0.00 0.00 37.83 36.95 1x8e s LYS 103 CO 0.07 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1x8e n GLY 104 N 5.20 0.77 3.21 5.54 0.00 -1.26 -0.70 105.19 117.95 1x8e n GLY 104 Ca -0.13 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 1x8e n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x8e s LYS 105 N -1.31 3.07 0.00 1.61 2.47 -1.26 -3.97 119.74 120.35 1x8e s LYS 105 Ca 0.00 -0.85 0.00 0.00 -1.56 0.00 0.00 55.97 53.56 1x8e s LYS 105 Cb 0.00 -2.40 0.00 0.00 -1.46 0.00 0.00 37.83 33.97 1x8e s LYS 105 CO 0.00 0.09 0.00 0.41 0.16 0.00 0.00 175.35 176.01 1x8e n GLY 106 N 3.78 3.01 3.86 5.54 0.00 -0.41 -2.35 105.19 118.63 1x8e n GLY 106 Ca -0.19 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.37 1x8e n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x8e s GLY 107 N -0.02 -0.31 -0.12 -0.02 0.00 -0.90 -0.47 107.32 105.47 1x8e s GLY 107 Ca 0.00 0.44 0.02 0.00 0.00 0.00 0.00 44.72 45.18 1x8e s GLY 107 CO 0.00 4.44 -0.17 -0.29 0.00 0.00 0.00 173.10 177.09 1x8e s MET 108 N -2.02 2.43 -0.14 2.90 1.75 0.71 -0.96 119.30 123.98 1x8e s MET 108 Ca 0.26 -0.64 -0.18 0.00 -1.25 0.00 0.00 55.69 53.88 1x8e s MET 108 Cb 0.03 -2.04 -0.04 0.00 2.84 0.00 0.00 34.83 35.61 1x8e s MET 108 CO -0.04 -0.06 0.50 -1.17 -0.65 0.00 0.00 175.02 173.59 1x8e s LEU 109 N 0.97 4.25 0.10 4.11 0.20 0.52 -1.58 118.68 127.25 1x8e s LEU 109 Ca -0.06 0.80 0.07 0.00 0.69 0.00 0.00 54.13 55.63 1x8e s LEU 109 Cb -0.15 -2.71 -0.03 0.00 -0.43 0.00 0.00 46.19 42.86 1x8e s LEU 109 CO -0.02 -0.05 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.05 1x8e s LEU 110 N 0.87 2.31 -0.25 -0.68 1.02 0.20 -1.23 118.68 120.93 1x8e s LEU 110 Ca 0.26 -0.69 -0.22 0.00 0.02 0.00 0.00 54.13 53.50 1x8e s LEU 110 Cb -0.15 -0.73 0.07 0.00 0.02 0.00 0.00 46.19 45.40 1x8e s LEU 110 CO 0.10 -0.01 0.66 0.00 0.02 0.00 0.00 176.35 177.12 1x8e s GLN 111 N -1.99 0.76 0.91 1.70 -2.07 -0.89 -0.58 119.66 117.50 1x8e s GLN 111 Ca 0.05 0.95 -0.11 0.00 -1.82 0.00 0.00 55.36 54.42 1x8e s GLN 111 Cb -0.09 0.35 0.14 0.00 -1.09 0.00 0.00 33.01 32.32 1x8e s GLN 111 CO 0.04 -0.10 1.10 0.95 -1.32 0.00 0.00 175.29 175.96 1x8e s THR 112 N 0.48 2.53 0.47 3.63 -4.23 -0.98 -1.37 115.64 116.18 1x8e s THR 112 Ca -0.01 0.17 0.25 0.00 -1.18 0.00 0.00 61.69 60.93 1x8e s THR 112 Cb -0.05 -2.45 0.44 0.00 1.34 0.00 0.00 72.50 71.79 1x8e s THR 112 CO -0.01 -0.23 1.84 -0.65 -0.54 0.00 0.00 174.62 175.04 1x8e h PRO 113 N -1.72 0.20 0.00 3.99 0.11 -1.94 0.15 132.00 132.79 1x8e h PRO 113 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1x8e h PRO 113 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1x8e h PRO 113 CO 0.49 0.13 -0.21 0.39 -0.21 0.00 0.00 178.00 178.59 1x8e n GLU 114 N -4.40 0.28 0.00 1.05 4.71 -1.26 -4.96 120.64 116.05 1x8e n GLU 114 Ca 0.21 0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.54 1x8e n GLU 114 Cb 0.90 -1.77 0.00 0.00 -1.01 0.00 0.00 31.44 29.56 1x8e n GLU 114 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x8e n GLY 115 N 1.31 1.81 3.64 0.62 0.00 0.04 -5.09 105.19 107.53 1x8e n GLY 115 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1x8e n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x8e s ASP 116 N -2.00 6.97 0.03 1.61 -0.00 -1.26 -4.77 116.67 117.26 1x8e s ASP 116 Ca 0.00 1.14 -0.00 0.00 -0.00 0.00 0.00 52.55 53.69 1x8e s ASP 116 Cb 0.00 -2.53 -0.04 0.00 -0.00 0.00 0.00 42.92 40.35 1x8e s ASP 116 CO 0.00 -0.79 0.14 0.00 -0.00 0.00 0.00 175.17 174.52 1x8e s ALA 117 N 3.46 3.79 -0.01 5.23 0.00 -1.26 -2.31 121.76 130.66 1x8e s ALA 117 Ca 0.44 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 1x8e s ALA 117 Cb -0.13 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1x8e s ALA 117 CO 0.12 0.76 0.02 0.21 0.00 0.00 0.00 175.76 176.86 1x8e s LYS 118 N -2.15 0.01 -0.10 0.00 2.47 0.25 -4.98 119.74 115.24 1x8e s LYS 118 Ca 0.29 0.03 0.04 0.00 -1.56 0.00 0.00 55.97 54.77 1x8e s LYS 118 Cb -0.12 -0.01 -0.00 0.00 -1.46 0.00 0.00 37.83 36.23 1x8e s LYS 118 CO 0.21 -0.02 -0.22 -0.46 0.16 0.00 0.00 175.35 175.02 1x8e s TRP 119 N 0.09 2.58 -0.09 4.03 -0.00 -1.26 0.62 118.94 124.92 1x8e s TRP 119 Ca -0.01 -0.94 0.01 0.00 -0.00 0.00 0.00 56.10 55.16 1x8e s TRP 119 Cb -0.01 -1.72 0.02 0.00 -0.00 0.00 0.00 33.47 31.76 1x8e s TRP 119 CO -0.00 -0.36 -0.12 0.42 -0.00 0.00 0.00 176.95 176.89 1x8e s ILE 120 N 0.27 1.21 0.60 5.86 -1.09 -0.62 -4.97 121.20 122.47 1x8e s ILE 120 Ca -0.16 -0.47 -0.15 0.00 -2.23 0.00 0.00 60.65 57.64 1x8e s ILE 120 Cb -0.17 -1.14 -0.03 0.00 -1.58 0.00 0.00 42.46 39.54 1x8e s ILE 120 CO 0.08 0.38 1.06 -0.55 -1.23 0.00 0.00 174.94 174.68 1x8e s SER 121 N 1.06 5.71 -0.22 3.58 0.15 -1.26 -0.21 113.70 122.52 1x8e s SER 121 Ca -0.07 1.82 -0.04 0.00 0.70 0.00 0.00 55.95 58.37 1x8e s SER 121 Cb -0.15 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 61.74 1x8e s SER 121 CO -0.01 -1.21 0.25 -0.04 1.20 0.00 0.00 173.24 173.43 1x8e s MET 122 N -4.12 0.23 0.41 5.44 -1.94 0.39 -4.85 119.30 114.85 1x8e s MET 122 Ca 0.64 0.23 0.08 0.00 -1.71 0.00 0.00 55.69 54.92 1x8e s MET 122 Cb -0.16 -1.05 -0.04 0.00 2.01 0.00 0.00 34.83 35.59 1x8e s MET 122 CO 0.38 -0.68 0.23 -1.83 -0.01 0.00 0.00 175.02 173.11 1x8e s GLU 123 N 2.37 2.33 0.18 2.03 4.04 -1.26 -1.29 118.70 127.09 1x8e s GLU 123 Ca 0.08 -1.73 -0.33 0.00 0.04 0.00 0.00 54.97 53.04 1x8e s GLU 123 Cb -0.16 -2.11 -0.15 0.00 0.02 0.00 0.00 34.13 31.73 1x8e s GLU 123 CO -0.14 -0.11 1.22 -2.30 -1.84 0.00 0.00 175.26 172.09 1x8e n PRO 124 N -1.31 1.34 0.00 -4.83 -0.02 -1.25 -1.95 135.00 126.97 1x8e n PRO 124 Ca -0.00 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1x8e n PRO 124 Cb 0.63 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1x8e n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x8e n GLY 125 N 2.08 2.98 3.70 -1.23 0.00 -1.04 -4.99 105.19 106.69 1x8e n GLY 125 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1x8e n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x8e s THR 126 N -2.86 2.84 -0.17 2.61 2.01 -0.82 -4.81 115.64 114.43 1x8e s THR 126 Ca 0.00 0.42 -0.02 0.00 0.31 0.00 0.00 61.69 62.40 1x8e s THR 126 Cb 0.00 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 1x8e s THR 126 CO 0.00 0.01 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.15 1x8e s VAL 127 N 2.18 3.09 -0.15 3.82 1.01 -1.26 -1.47 120.40 127.62 1x8e s VAL 127 Ca 0.73 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1x8e s VAL 127 Cb -0.42 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1x8e s VAL 127 CO 0.32 0.49 -0.05 -0.69 0.00 0.00 0.00 175.10 175.16 1x8e s VAL 128 N 0.90 3.74 -0.42 2.92 1.01 -0.63 -4.97 120.40 122.96 1x8e s VAL 128 Ca -0.02 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 1x8e s VAL 128 Cb -0.15 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1x8e s VAL 128 CO -0.00 0.50 0.49 -0.47 0.00 0.00 0.00 175.10 175.63 1x8e s TYR 129 N 0.31 3.14 -0.45 5.22 6.14 -1.26 -1.16 117.35 129.30 1x8e s TYR 129 Ca -0.05 -0.23 -0.26 0.00 0.64 0.00 0.00 57.07 57.18 1x8e s TYR 129 Cb -0.14 -3.01 0.03 0.00 0.42 0.00 0.00 41.96 39.26 1x8e s TYR 129 CO 0.03 -0.72 0.93 0.08 0.64 0.00 0.00 175.55 176.52 1x8e s VAL 130 N 2.33 4.48 0.83 3.14 1.01 -0.56 -4.98 120.40 126.64 1x8e s VAL 130 Ca 0.15 0.81 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 1x8e s VAL 130 Cb -0.16 -4.43 0.09 0.00 0.00 0.00 0.00 36.38 31.88 1x8e s VAL 130 CO 0.15 -0.81 1.11 -2.84 0.00 0.00 0.00 175.10 172.71 1x8e s PRO 131 N 3.75 1.84 0.60 2.72 0.02 -1.26 -1.58 135.00 141.09 1x8e s PRO 131 Ca 0.37 0.54 -0.18 0.00 0.02 0.00 0.00 61.00 61.76 1x8e s PRO 131 Cb -0.10 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.44 1x8e s PRO 131 CO 0.26 -1.77 0.47 -2.30 -0.33 0.00 0.00 177.00 173.33 1x8e n PRO 132 N -3.52 0.43 -0.85 5.54 -0.02 -1.25 -2.82 135.00 132.53 1x8e n PRO 132 Ca 0.07 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1x8e n PRO 132 Cb 0.57 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1x8e n PRO 132 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1x8e n TYR 133 N -1.84 0.00 -3.68 6.00 4.01 -0.20 -4.96 117.16 116.49 1x8e n TYR 133 Ca 0.11 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.49 1x8e n TYR 133 Cb 0.48 -1.08 -0.09 0.00 -0.31 0.00 0.00 39.34 38.34 1x8e n TYR 133 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1x8e s TRP 134 N -1.76 3.34 0.64 -0.72 0.52 -1.13 -3.95 118.94 115.88 1x8e s TRP 134 Ca 0.00 0.25 -0.14 0.00 0.02 0.00 0.00 56.10 56.23 1x8e s TRP 134 Cb 0.00 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 30.07 1x8e s TRP 134 CO 0.00 0.13 1.06 0.00 0.02 0.00 0.00 176.95 178.16 1x8e s ALA 135 N 0.85 2.70 -0.03 0.98 0.00 -0.47 -4.86 121.76 120.93 1x8e s ALA 135 Ca 0.08 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 1x8e s ALA 135 Cb -0.13 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.84 1x8e s ALA 135 CO 0.03 -1.00 0.63 -3.38 0.00 0.00 0.00 175.76 172.04 1x8e s HIS 136 N -2.68 -0.60 -0.10 0.00 -3.43 -1.02 -2.09 115.29 105.37 1x8e s HIS 136 Ca 0.62 0.98 -0.14 0.00 -0.80 0.00 0.00 55.06 55.72 1x8e s HIS 136 Cb -0.15 0.38 0.03 0.00 -1.43 0.00 0.00 32.58 31.41 1x8e s HIS 136 CO 0.44 -0.60 0.35 0.50 -2.00 0.00 0.00 174.74 173.43 1x8e s ARG 137 N -1.38 0.51 -0.03 -0.38 3.52 -0.37 -1.96 118.95 118.88 1x8e s ARG 137 Ca -0.10 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1x8e s ARG 137 Cb -0.01 0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.59 1x8e s ARG 137 CO 0.08 -0.10 -0.04 0.95 -0.81 0.00 0.00 175.30 175.38 1x8e s THR 138 N -0.30 3.89 -0.03 4.11 -4.23 -1.26 -0.35 115.64 117.46 1x8e s THR 138 Ca -0.04 -0.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.95 1x8e s THR 138 Cb -0.03 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 1x8e s THR 138 CO 0.02 0.48 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.67 1x8e s VAL 139 N -0.95 1.71 -0.28 2.29 1.01 -0.14 -1.68 120.40 122.36 1x8e s VAL 139 Ca 0.16 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1x8e s VAL 139 Cb -0.11 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1x8e s VAL 139 CO 0.06 0.48 0.58 0.21 0.00 0.00 0.00 175.10 176.43 1x8e s ASN 140 N -0.37 6.48 0.00 3.32 3.84 -0.84 -2.13 114.94 125.25 1x8e s ASN 140 Ca 0.05 0.50 0.08 0.00 0.21 0.00 0.00 52.86 53.69 1x8e s ASN 140 Cb -0.10 -2.31 0.22 0.00 -0.55 0.00 0.00 41.25 38.51 1x8e s ASN 140 CO 0.00 -0.39 1.17 2.30 -2.79 0.00 0.00 177.10 177.40 1x8e n ILE 141 N 5.27 0.97 -2.96 -5.21 -5.35 -0.99 -4.34 119.36 106.75 1x8e n ILE 141 Ca -0.02 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.47 1x8e n ILE 141 Cb 0.49 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 1x8e n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x8e n GLY 142 N 0.26 7.61 0.00 3.28 0.00 -1.19 -4.95 105.19 110.20 1x8e n GLY 142 Ca 0.08 -2.03 0.03 0.00 0.00 0.00 0.00 46.02 44.11 1x8e n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x8e n ASP 143 N -0.00 0.50 -4.71 1.61 8.00 -1.26 -4.66 116.55 116.02 1x8e n ASP 143 Ca 0.00 -0.63 -0.26 0.00 0.71 0.00 0.00 54.79 54.60 1x8e n ASP 143 Cb 0.00 1.02 -0.07 0.00 -0.02 0.00 0.00 41.12 42.05 1x8e n ASP 143 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x8e s GLU 144 N -1.73 2.59 0.18 -1.24 -1.05 -1.26 -4.84 118.70 111.35 1x8e s GLU 144 Ca 0.02 -1.04 -0.33 0.00 -0.15 0.00 0.00 54.97 53.48 1x8e s GLU 144 Cb 0.05 -2.46 -0.15 0.00 -0.44 0.00 0.00 34.13 31.13 1x8e s GLU 144 CO 0.30 0.46 1.22 -2.30 0.95 0.00 0.00 175.26 175.89 1x8e n PRO 145 N -0.27 1.31 -3.44 -4.83 -0.02 -1.26 -4.51 135.00 121.97 1x8e n PRO 145 Ca -0.09 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.47 1x8e n PRO 145 Cb 0.55 -2.00 -0.09 0.00 -0.02 0.00 0.00 33.50 31.94 1x8e n PRO 145 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1x8e s PHE 146 N -0.10 3.31 -0.06 6.00 5.36 -0.51 -4.26 117.98 127.73 1x8e s PHE 146 Ca 0.73 0.46 0.06 0.00 -0.96 0.00 0.00 56.93 57.22 1x8e s PHE 146 Cb -0.83 -2.49 -0.01 0.00 -0.34 0.00 0.00 43.02 39.35 1x8e s PHE 146 CO 0.51 -0.08 -0.24 0.42 -1.46 0.00 0.00 175.22 174.38 1x8e s ILE 147 N 1.55 2.20 0.03 3.12 1.01 0.13 -0.01 121.20 129.22 1x8e s ILE 147 Ca 0.15 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1x8e s ILE 147 Cb -0.15 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.54 1x8e s ILE 147 CO 0.08 0.57 0.32 0.72 0.00 0.00 0.00 174.94 176.63 1x8e s PHE 148 N -0.23 -0.15 -0.11 3.97 -0.71 -0.75 -1.43 117.98 118.57 1x8e s PHE 148 Ca -0.01 0.09 -0.04 0.00 -1.04 0.00 0.00 56.93 55.92 1x8e s PHE 148 Cb -0.13 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 1x8e s PHE 148 CO 0.03 -0.48 0.06 -1.17 -1.34 0.00 0.00 175.22 172.31 1x8e s LEU 149 N -1.85 3.88 -0.04 -1.99 2.96 -0.19 -0.94 118.68 120.50 1x8e s LEU 149 Ca -0.07 0.24 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1x8e s LEU 149 Cb -0.02 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 1x8e s LEU 149 CO -0.01 0.36 -0.18 0.00 -1.32 0.00 0.00 176.35 175.20 1x8e s ALA 150 N -0.74 1.58 -0.22 5.97 0.00 0.70 -0.13 121.76 128.92 1x8e s ALA 150 Ca 0.12 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 1x8e s ALA 150 Cb -0.12 -0.51 0.06 0.00 0.00 0.00 0.00 23.12 22.56 1x8e s ALA 150 CO 0.03 0.30 0.01 0.42 0.00 0.00 0.00 175.76 176.51 1x8e s ILE 151 N -0.02 0.90 0.30 0.00 1.09 -0.34 -0.84 121.20 122.28 1x8e s ILE 151 Ca -0.03 -0.85 0.10 0.00 -1.10 0.00 0.00 60.65 58.77 1x8e s ILE 151 Cb -0.11 -1.34 -0.05 0.00 -1.06 0.00 0.00 42.46 39.90 1x8e s ILE 151 CO 0.02 -0.21 -0.01 -0.72 -0.10 0.00 0.00 174.94 173.92 1x8e s TYR 152 N 1.68 2.60 0.55 3.97 1.13 -0.90 -1.27 117.35 125.11 1x8e s TYR 152 Ca -0.02 -0.32 -0.20 0.00 -1.41 0.00 0.00 57.07 55.12 1x8e s TYR 152 Cb -0.18 -1.31 -0.05 0.00 -1.10 0.00 0.00 41.96 39.32 1x8e s TYR 152 CO -0.09 0.55 1.19 -2.14 -2.51 0.00 0.00 175.55 172.56 1x8e s PRO 153 N -3.69 3.24 0.52 -3.49 0.02 -1.26 -1.74 135.00 128.60 1x8e s PRO 153 Ca 0.33 1.79 0.29 0.00 0.02 0.00 0.00 61.00 63.44 1x8e s PRO 153 Cb -0.04 -2.07 1.38 0.00 0.02 0.00 0.00 34.50 33.80 1x8e s PRO 153 CO 0.19 -0.98 2.02 0.00 -0.33 0.00 0.00 177.00 177.90 1x8e h ALA 154 N 1.24 1.13 -0.35 -1.55 0.00 -1.30 -3.18 119.26 115.26 1x8e h ALA 154 Ca -0.50 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1x8e h ALA 154 Cb 1.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1x8e h ALA 154 CO 0.57 0.14 0.01 -0.40 0.00 0.00 0.00 179.25 179.57 1x8e n ASP 155 N -3.42 4.22 -0.06 0.00 5.75 -1.26 -4.28 116.55 117.50 1x8e n ASP 155 Ca -0.01 -3.05 -0.07 0.00 -0.01 0.00 0.00 54.79 51.64 1x8e n ASP 155 Cb 0.29 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 39.73 1x8e n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x8e h ALA 156 N 2.21 0.02 0.00 2.12 0.00 -1.87 -3.41 119.26 118.33 1x8e h ALA 156 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1x8e h ALA 156 Cb 1.60 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1x8e h ALA 156 CO 0.31 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1x8e n GLY 157 N 1.67 -2.82 2.67 0.00 0.00 -1.26 -1.37 105.19 104.08 1x8e n GLY 157 Ca -0.07 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 1x8e n GLY 157 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x8e s HIS 158 N -0.87 -0.03 0.00 1.61 3.76 -1.26 -3.79 115.29 114.70 1x8e s HIS 158 Ca 0.00 -0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 1x8e s HIS 158 Cb 0.00 -0.56 0.00 0.00 1.11 0.00 0.00 32.58 33.13 1x8e s HIS 158 CO 0.00 -0.62 0.00 -3.47 -0.85 0.00 0.00 174.74 169.80 1x8e n ASP 159 N 5.29 2.70 -4.63 1.40 2.03 -0.97 -4.85 116.55 117.53 1x8e n ASP 159 Ca -0.06 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.95 1x8e n ASP 159 Cb 0.48 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.07 1x8e n ASP 159 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1x8e n TYR 160 N 0.00 0.39 -0.08 -0.67 0.53 -1.26 -4.59 117.16 111.47 1x8e n TYR 160 Ca 0.00 0.28 0.00 0.00 -1.02 0.00 0.00 57.90 57.16 1x8e n TYR 160 Cb 0.00 -1.93 0.00 0.00 -1.03 0.00 0.00 39.34 36.38 1x8e n TYR 160 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1x8e n GLY 161 N 0.44 1.56 3.52 2.72 0.00 -1.26 -4.92 105.19 107.25 1x8e n GLY 161 Ca 0.10 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1x8e n GLY 161 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x8e n THR 162 N -1.49 2.00 -0.03 2.61 -1.04 -1.26 -4.82 114.28 110.24 1x8e n THR 162 Ca 0.00 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.05 61.46 1x8e n THR 162 Cb 0.02 -0.74 -0.13 0.00 -1.82 0.00 0.00 70.33 67.65 1x8e n THR 162 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1x8e n ILE 163 N -0.39 1.25 0.03 12.58 2.08 -1.26 -2.85 119.36 130.79 1x8e n ILE 163 Ca 0.11 -0.76 -0.04 0.00 0.56 0.00 0.00 62.75 62.62 1x8e n ILE 163 Cb 0.36 -0.64 0.17 0.00 -0.75 0.00 0.00 39.64 38.78 1x8e n ILE 163 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1x8e h ALA 164 N 1.22 1.01 0.01 -1.39 0.00 -1.91 -2.34 119.26 115.86 1x8e h ALA 164 Ca -0.32 -0.41 -0.40 0.00 0.00 0.00 0.00 54.91 53.78 1x8e h ALA 164 Cb 1.88 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1x8e h ALA 164 CO 0.04 0.60 -2.35 -0.85 0.00 0.00 0.00 179.25 176.70 1x8e n GLU 165 N -4.05 0.63 0.00 0.00 0.28 -1.26 -4.56 120.64 111.68 1x8e n GLU 165 Ca -0.01 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 1x8e n GLU 165 Cb 0.47 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.80 1x8e n GLU 165 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1x8e n LYS 166 N -3.76 0.00 0.00 3.44 4.81 -1.13 -5.06 118.16 116.45 1x8e n LYS 166 Ca -0.47 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.03 1x8e n LYS 166 Cb 0.93 -0.42 0.00 0.00 0.02 0.00 0.00 35.03 35.56 1x8e n LYS 166 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x8e n GLY 167 N 2.38 -0.27 3.48 3.14 0.00 -0.88 -4.76 105.19 108.28 1x8e n GLY 167 Ca 0.00 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 1x8e n GLY 167 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x8e s PHE 168 N 0.00 2.58 0.39 1.61 0.40 -1.26 -4.87 117.98 116.83 1x8e s PHE 168 Ca 0.00 -0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.17 1x8e s PHE 168 Cb 0.00 -1.45 0.78 0.00 0.51 0.00 0.00 43.02 42.85 1x8e s PHE 168 CO 0.00 0.29 1.95 0.66 0.70 0.00 0.00 175.22 178.82 1x8e h SER 169 N 4.38 0.34 -3.71 1.36 4.64 -1.94 -3.43 113.55 115.18 1x8e h SER 169 Ca -0.48 -0.05 -0.58 0.00 -0.47 0.00 0.00 61.79 60.21 1x8e h SER 169 Cb 1.16 -0.09 -0.20 0.00 -0.31 0.00 0.00 62.40 62.96 1x8e h SER 169 CO 0.48 0.40 -0.81 -0.54 -0.87 0.00 0.00 176.83 175.49 1x8e s LYS 170 N -4.97 1.29 0.38 4.77 1.02 -1.26 -1.58 119.74 119.38 1x8e s LYS 170 Ca -0.07 -1.35 0.08 0.00 0.02 0.00 0.00 55.97 54.66 1x8e s LYS 170 Cb 0.16 -1.51 -0.06 0.00 -0.52 0.00 0.00 37.83 35.90 1x8e s LYS 170 CO 0.74 0.33 0.06 0.96 -0.92 0.00 0.00 175.35 176.52 1x8e s ILE 171 N -1.60 2.38 -0.12 2.17 -4.36 -0.44 -4.76 121.20 114.46 1x8e s ILE 171 Ca 0.14 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 1x8e s ILE 171 Cb -0.08 -2.89 0.02 0.00 1.25 0.00 0.00 42.46 40.75 1x8e s ILE 171 CO 0.06 -0.10 -0.16 -0.69 0.24 0.00 0.00 174.94 174.30 1x8e s VAL 172 N -2.59 1.61 0.22 8.37 1.01 -1.26 -2.02 120.40 125.74 1x8e s VAL 172 Ca 0.37 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1x8e s VAL 172 Cb 0.03 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1x8e s VAL 172 CO 0.20 0.46 0.09 0.27 0.00 0.00 0.00 175.10 176.12 1x8e s ILE 173 N 1.08 0.42 -0.31 2.22 -4.36 -1.06 -1.32 121.20 117.87 1x8e s ILE 173 Ca -0.04 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.33 1x8e s ILE 173 Cb -0.14 -2.48 0.04 0.00 1.25 0.00 0.00 42.46 41.12 1x8e s ILE 173 CO -0.04 -0.11 0.03 -0.70 0.24 0.00 0.00 174.94 174.36 1x8e s GLU 174 N -4.04 2.55 -0.30 0.37 2.12 -0.18 -2.15 118.70 117.07 1x8e s GLU 174 Ca 0.35 -1.20 -0.06 0.00 0.36 0.00 0.00 54.97 54.42 1x8e s GLU 174 Cb 0.07 -3.26 0.02 0.00 0.26 0.00 0.00 34.13 31.22 1x8e s GLU 174 CO 0.11 -0.61 0.06 -2.00 -0.54 0.00 0.00 175.26 172.28 1x8e s GLU 175 N 1.32 2.91 -1.25 4.30 2.12 -0.91 -4.81 118.70 122.38 1x8e s GLU 175 Ca -0.03 -0.97 -0.06 0.00 0.36 0.00 0.00 54.97 54.27 1x8e s GLU 175 Cb -0.19 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.87 1x8e s GLU 175 CO 0.00 -0.50 1.08 0.09 -0.54 0.00 0.00 175.26 175.39 1x8e n ASN 176 N 4.82 -4.86 0.00 -1.70 5.03 -1.26 -1.66 115.26 115.63 1x8e n ASN 176 Ca -0.14 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 54.76 1x8e n ASN 176 Cb 0.47 -4.88 0.00 0.00 -1.02 0.00 0.00 39.78 34.35 1x8e n ASN 176 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1x8e n GLY 177 N -1.69 2.16 3.84 7.41 0.00 -1.26 -5.01 105.19 110.65 1x8e n GLY 177 Ca -0.08 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1x8e n GLY 177 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x8e s GLU 178 N 0.00 4.04 0.12 1.61 2.12 -0.66 -5.05 118.70 120.89 1x8e s GLU 178 Ca 0.00 0.68 -0.24 0.00 0.36 0.00 0.00 54.97 55.77 1x8e s GLU 178 Cb 0.00 -2.55 -0.07 0.00 0.26 0.00 0.00 34.13 31.77 1x8e s GLU 178 CO 0.00 0.22 0.75 0.08 -0.54 0.00 0.00 175.26 175.77 1x8e s VAL 179 N -1.86 4.50 -0.14 3.70 1.01 -1.26 -2.15 120.40 124.20 1x8e s VAL 179 Ca 0.51 1.63 -0.04 0.00 0.00 0.00 0.00 61.98 64.08 1x8e s VAL 179 Cb -0.12 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.23 1x8e s VAL 179 CO 0.18 0.49 0.20 -0.54 0.00 0.00 0.00 175.10 175.43 1x8e s LYS 180 N -0.86 0.11 -0.47 2.72 1.02 -0.91 -4.99 119.74 116.36 1x8e s LYS 180 Ca 0.36 0.46 -0.26 0.00 0.02 0.00 0.00 55.97 56.55 1x8e s LYS 180 Cb -0.22 -0.58 0.03 0.00 -0.52 0.00 0.00 37.83 36.54 1x8e s LYS 180 CO 0.25 -0.43 0.96 0.08 -0.92 0.00 0.00 175.35 175.28 1x8e s VAL 181 N 2.33 4.43 0.38 3.17 1.01 -1.26 -2.57 120.40 127.88 1x8e s VAL 181 Ca 0.04 0.79 0.04 0.00 0.00 0.00 0.00 61.98 62.85 1x8e s VAL 181 Cb -0.13 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 1x8e s VAL 181 CO -0.08 -0.87 0.07 0.68 0.00 0.00 0.00 175.10 174.89 1x8e s VAL 182 N 3.86 1.06 0.60 2.92 -7.23 -0.86 -4.98 120.40 115.77 1x8e s VAL 182 Ca 0.38 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.37 1x8e s VAL 182 Cb -0.10 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1x8e s VAL 182 CO 0.27 0.00 1.21 -1.81 -0.31 0.00 0.00 175.10 174.46 1x8e s ASP 183 N -3.59 5.16 -0.30 4.85 1.01 -1.26 -1.33 116.67 121.21 1x8e s ASP 183 Ca 0.29 2.39 -0.14 0.00 0.71 0.00 0.00 52.55 55.80 1x8e s ASP 183 Cb 0.06 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1x8e s ASP 183 CO 0.14 -1.62 0.34 0.21 0.21 0.00 0.00 175.17 174.46 1x8e s ASN 184 N -1.60 6.19 0.48 0.27 2.47 -0.61 -4.49 114.94 117.64 1x8e s ASN 184 Ca 0.77 0.04 0.23 0.00 0.42 0.00 0.00 52.86 54.32 1x8e s ASN 184 Cb -0.30 -2.19 1.21 0.00 -1.45 0.00 0.00 41.25 38.52 1x8e s ASN 184 CO 0.33 -0.23 1.99 1.55 -3.72 0.00 0.00 177.10 177.03 1x8e h PRO 185 N 8.32 0.00 -0.22 0.43 0.13 -1.94 -3.07 132.00 135.65 1x8e h PRO 185 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1x8e h PRO 185 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x8e h PRO 185 CO 0.65 0.18 0.00 0.54 -0.23 0.00 0.00 178.00 179.14 1x8e n ARG 186 N -3.78 1.50 -3.77 0.86 1.74 -1.26 -4.85 116.66 107.11 1x8e n ARG 186 Ca -0.02 -0.76 -0.36 0.00 -0.77 0.00 0.00 57.85 55.94 1x8e n ARG 186 Cb 0.29 -1.17 -0.12 0.00 -1.02 0.00 0.00 32.46 30.43 1x8e n ARG 186 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1x8e s TRP 187 N -1.72 3.10 -2.64 -1.55 -0.11 -1.16 -4.96 118.94 109.91 1x8e s TRP 187 Ca 0.14 -0.35 0.27 0.00 1.22 0.00 0.00 56.10 57.38 1x8e s TRP 187 Cb 0.07 -2.24 0.81 0.00 -1.50 0.00 0.00 33.47 30.62 1x8e s TRP 187 CO 0.09 -0.31 1.61 1.63 -4.62 0.00 0.00 176.95 175.35