#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcu n LEU 3 N 0.00 0.00 -4.47 2.46 4.32 -1.26 -4.84 117.00 113.21 3mcu n LEU 3 Ca 0.00 0.33 -0.52 0.00 -0.02 0.00 0.00 56.01 55.80 3mcu n LEU 3 Cb 0.00 -0.33 -0.07 0.00 -1.62 0.00 0.00 43.42 41.40 3mcu n LEU 3 CO 0.00 -0.06 1.74 0.29 -1.22 0.00 0.00 177.39 178.14 3mcu n LYS 4 N -1.33 1.09 -0.47 3.23 5.02 -1.18 -1.69 118.16 122.83 3mcu n LYS 4 Ca 0.11 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3mcu n LYS 4 Cb 0.21 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 3mcu n LYS 4 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mcu n GLY 5 N 6.28 1.25 3.79 0.72 0.00 -0.42 -4.98 105.19 111.82 3mcu n GLY 5 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 3mcu n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcu s LYS 6 N -0.30 4.51 -0.42 1.61 -0.14 -0.68 -4.85 119.74 119.47 3mcu s LYS 6 Ca 0.00 1.27 -0.18 0.00 -1.36 0.00 0.00 55.97 55.70 3mcu s LYS 6 Cb 0.00 -2.70 0.02 0.00 -1.68 0.00 0.00 37.83 33.47 3mcu s LYS 6 CO 0.00 0.23 0.50 0.50 -0.76 0.00 0.00 175.35 175.83 3mcu s ARG 7 N -2.24 3.20 -0.26 1.68 3.52 -1.26 -1.02 118.95 122.58 3mcu s ARG 7 Ca 0.52 -0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 55.47 3mcu s ARG 7 Cb -0.17 -3.95 -0.00 0.00 -1.56 0.00 0.00 34.95 29.27 3mcu s ARG 7 CO 0.22 -0.88 0.02 0.42 -0.81 0.00 0.00 175.30 174.27 3mcu s ILE 8 N 2.36 3.68 0.27 4.11 -1.09 0.86 -0.73 121.20 130.66 3mcu s ILE 8 Ca 0.16 -0.59 -0.29 0.00 -2.23 0.00 0.00 60.65 57.70 3mcu s ILE 8 Cb -0.16 -2.80 -0.09 0.00 -1.58 0.00 0.00 42.46 37.83 3mcu s ILE 8 CO 0.15 0.25 0.94 -0.83 -1.23 0.00 0.00 174.94 174.22 3mcu s GLY 9 N 1.49 3.01 -0.28 6.18 0.00 0.50 -1.49 107.32 116.73 3mcu s GLY 9 Ca 0.04 0.58 -0.01 0.00 0.00 0.00 0.00 44.72 45.33 3mcu s GLY 9 CO -0.00 1.11 0.08 -0.12 0.00 0.00 0.00 173.10 174.17 3mcu s PHE 10 N -1.33 1.49 0.00 1.90 5.36 0.46 0.11 117.98 125.98 3mcu s PHE 10 Ca 0.44 -1.48 -0.02 0.00 -0.96 0.00 0.00 56.93 54.91 3mcu s PHE 10 Cb -0.23 -1.50 -0.04 0.00 -0.34 0.00 0.00 43.02 40.91 3mcu s PHE 10 CO 0.29 -0.81 0.18 0.20 -1.46 0.00 0.00 175.22 173.62 3mcu s GLY 11 N 1.69 2.17 -0.06 13.12 0.00 0.11 -0.96 107.32 123.40 3mcu s GLY 11 Ca 0.07 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 44.06 3mcu s GLY 11 CO -0.21 -0.68 -0.23 -1.36 0.00 0.00 0.00 173.10 170.61 3mcu s PHE 12 N -1.34 2.28 0.10 1.90 0.40 -0.79 -1.53 117.98 118.99 3mcu s PHE 12 Ca 0.28 -0.68 0.08 0.00 -0.60 0.00 0.00 56.93 56.01 3mcu s PHE 12 Cb -0.13 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3mcu s PHE 12 CO 0.20 -0.21 -0.21 0.95 0.70 0.00 0.00 175.22 176.64 3mcu s THR 13 N -0.10 1.74 0.00 0.64 -4.23 -1.09 -2.96 115.64 109.63 3mcu s THR 13 Ca -0.04 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3mcu s THR 13 Cb -0.13 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.13 3mcu s THR 13 CO 0.03 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3mcu n GLY 14 N 1.11 -0.21 3.73 3.99 0.00 -1.26 -4.55 105.19 108.00 3mcu n GLY 14 Ca -0.19 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.54 3mcu n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mcu s SER 15 N -4.00 4.38 0.01 1.61 0.15 -1.26 -4.98 113.70 109.61 3mcu s SER 15 Ca 0.00 2.40 -0.25 0.00 0.70 0.00 0.00 55.95 58.80 3mcu s SER 15 Cb 0.00 -2.59 -0.18 0.00 -1.71 0.00 0.00 66.02 61.54 3mcu s SER 15 CO 0.00 -2.14 1.32 0.45 1.20 0.00 0.00 173.24 174.07 3mcu h HIS 16 N -0.02 -0.16 0.00 3.44 -0.00 -2.03 -3.31 115.15 113.06 3mcu h HIS 16 Ca -0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 3mcu h HIS 16 Cb 1.30 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.77 3mcu h HIS 16 CO 0.46 0.18 0.00 0.00 -0.00 0.00 0.00 177.93 178.57 3mcu n THR 18 N -2.39 0.00 1.21 0.00 -2.24 -1.25 -3.86 114.28 105.75 3mcu n THR 18 Ca 0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 3mcu n THR 18 Cb 0.26 -0.60 0.32 0.00 -2.10 0.00 0.00 70.33 68.21 3mcu n THR 18 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3mcu n TYR 19 N -0.90 0.00 0.15 4.78 4.01 -1.23 -4.21 117.16 119.76 3mcu n TYR 19 Ca 0.12 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.94 3mcu n TYR 19 Cb 0.05 -0.11 0.43 0.00 -0.31 0.00 0.00 39.34 39.41 3mcu n TYR 19 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3mcu n GLU 20 N -0.60 0.11 0.03 -0.72 1.02 -1.25 -2.31 120.64 116.92 3mcu n GLU 20 Ca 0.12 0.59 -0.11 0.00 -0.02 0.00 0.00 57.16 57.73 3mcu n GLU 20 Cb 0.36 -1.99 -0.14 0.00 -0.02 0.00 0.00 31.44 29.66 3mcu n GLU 20 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3mcu h GLU 21 N 0.00 0.09 -2.34 3.49 4.11 -1.92 -3.42 114.58 114.59 3mcu h GLU 21 Ca 0.00 -0.16 -0.79 0.00 0.07 0.00 0.00 59.36 58.49 3mcu h GLU 21 Cb 0.29 0.06 -0.23 0.00 0.50 0.00 0.00 28.75 29.37 3mcu h GLU 21 CO 0.00 0.85 1.41 1.33 0.07 0.00 0.00 179.01 182.67 3mcu n VAL 22 N -3.27 5.78 0.00 -1.06 0.24 -0.98 -4.60 118.33 114.44 3mcu n VAL 22 Ca -0.13 -5.45 0.00 0.00 -2.04 0.00 0.00 64.34 56.72 3mcu n VAL 22 Cb 1.02 -1.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 3mcu n VAL 22 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3mcu n PRO 24 N 0.42 0.00 -0.01 7.34 -0.04 -1.26 -1.64 135.00 139.81 3mcu n PRO 24 Ca 0.51 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.80 3mcu n PRO 24 Cb 0.26 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.63 3mcu n PRO 24 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3mcu h HIS 25 N 0.00 0.85 -0.81 0.54 3.86 -1.96 -1.73 115.15 115.90 3mcu h HIS 25 Ca 0.00 -0.41 0.15 0.00 -1.16 0.00 0.00 60.37 58.95 3mcu h HIS 25 Cb 0.00 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.29 3mcu h HIS 25 CO 0.00 1.23 0.53 1.25 0.86 0.00 0.00 177.93 181.80 3mcu h LEU 26 N 0.24 0.49 -0.15 2.43 6.46 -1.72 -1.33 115.31 121.72 3mcu h LEU 26 Ca -0.07 0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.62 3mcu h LEU 26 Cb 1.37 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.23 3mcu h LEU 26 CO 0.14 0.25 -0.29 -0.08 -0.62 0.00 0.00 178.44 177.84 3mcu h GLU 27 N 0.52 0.47 -0.83 1.25 4.57 -1.79 -2.84 114.58 115.93 3mcu h GLU 27 Ca 0.40 -0.30 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 3mcu h GLU 27 Cb 0.81 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.37 3mcu h GLU 27 CO -0.15 0.90 0.51 0.87 -1.18 0.00 0.00 179.01 179.96 3mcu h LYS 28 N 0.09 0.90 -0.45 1.92 1.57 -0.36 -1.36 116.57 118.89 3mcu h LYS 28 Ca 0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3mcu h LYS 28 Cb 0.88 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3mcu h LYS 28 CO 0.06 0.60 0.20 -0.07 -0.57 0.00 0.00 179.45 179.67 3mcu h LEU 29 N 0.93 0.60 -0.74 2.94 3.38 -1.26 -1.66 115.31 119.50 3mcu h LEU 29 Ca 0.36 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 3mcu h LEU 29 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3mcu h LEU 29 CO -0.17 0.58 -0.29 0.16 0.09 0.00 0.00 178.44 178.81 3mcu h ILE 30 N 0.58 1.28 0.00 1.22 -0.00 -1.24 -2.11 117.51 117.24 3mcu h ILE 30 Ca 0.15 -1.40 0.00 0.00 -0.00 0.00 0.00 64.86 63.61 3mcu h ILE 30 Cb 0.16 1.36 0.00 0.00 -0.00 0.00 0.00 36.82 38.34 3mcu h ILE 30 CO -0.02 0.45 0.00 0.00 -0.00 0.00 0.00 178.15 178.59 3mcu h ALA 31 N 1.13 1.00 -0.01 0.16 0.00 -0.98 -1.01 119.26 119.55 3mcu h ALA 31 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mcu h ALA 31 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3mcu h ALA 31 CO 0.06 0.00 -0.28 -1.91 0.00 0.00 0.00 179.25 177.12 3mcu n GLU 32 N -2.43 1.11 -0.10 0.00 4.07 -0.65 -4.95 120.64 117.69 3mcu n GLU 32 Ca 0.02 -0.76 0.00 0.00 -0.06 0.00 0.00 57.16 56.36 3mcu n GLU 32 Cb 0.25 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.15 3mcu n GLU 32 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3mcu n GLY 33 N 1.35 1.28 3.90 8.31 0.00 -0.38 -3.11 105.19 116.53 3mcu n GLY 33 Ca 0.12 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3mcu n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcu s ALA 34 N -2.00 3.93 -0.33 4.61 0.00 -0.89 -1.30 121.76 125.78 3mcu s ALA 34 Ca 0.00 -0.72 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 3mcu s ALA 34 Cb 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 3mcu s ALA 34 CO 0.00 0.72 0.60 -2.00 0.00 0.00 0.00 175.76 175.08 3mcu s GLU 35 N -1.89 3.79 -0.23 0.00 2.12 -0.18 -4.37 118.70 117.93 3mcu s GLU 35 Ca 0.27 0.12 -0.06 0.00 0.36 0.00 0.00 54.97 55.67 3mcu s GLU 35 Cb -0.13 -3.76 -0.02 0.00 0.26 0.00 0.00 34.13 30.48 3mcu s GLU 35 CO 0.18 -0.62 0.03 0.08 -0.54 0.00 0.00 175.26 174.39 3mcu s VAL 36 N 2.57 4.07 -0.40 3.70 1.01 -1.26 -0.09 120.40 130.00 3mcu s VAL 36 Ca 0.23 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 3mcu s VAL 36 Cb -0.15 -2.87 0.04 0.00 0.00 0.00 0.00 36.38 33.40 3mcu s VAL 36 CO 0.13 0.39 0.25 -0.13 0.00 0.00 0.00 175.10 175.73 3mcu s ARG 37 N 1.33 2.84 0.28 2.72 1.81 -0.55 -4.71 118.95 122.66 3mcu s ARG 37 Ca 0.04 -1.13 -0.29 0.00 -1.72 0.00 0.00 55.73 52.63 3mcu s ARG 37 Cb -0.15 -3.83 -0.10 0.00 -0.45 0.00 0.00 34.95 30.43 3mcu s ARG 37 CO 0.02 -0.77 1.34 -2.14 -0.68 0.00 0.00 175.30 173.07 3mcu s PRO 38 N 1.57 4.35 -0.04 3.54 0.02 -1.26 -0.40 135.00 142.78 3mcu s PRO 38 Ca 0.03 2.19 0.04 0.00 0.02 0.00 0.00 61.00 63.28 3mcu s PRO 38 Cb -0.20 -3.11 -0.00 0.00 0.02 0.00 0.00 34.50 31.21 3mcu s PRO 38 CO 0.07 -0.26 -0.14 0.08 -0.33 0.00 0.00 177.00 176.43 3mcu s VAL 39 N -0.54 1.15 -0.05 3.83 1.01 -0.13 -1.88 120.40 123.78 3mcu s VAL 39 Ca 0.53 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.99 3mcu s VAL 39 Cb -0.39 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 3mcu s VAL 39 CO 0.47 0.34 -0.18 0.68 0.00 0.00 0.00 175.10 176.41 3mcu s VAL 40 N 0.10 1.49 -1.21 2.92 -7.23 -0.47 -1.89 120.40 114.11 3mcu s VAL 40 Ca -0.03 -0.74 0.14 0.00 -1.81 0.00 0.00 61.98 59.54 3mcu s VAL 40 Cb -0.10 -1.29 0.18 0.00 0.56 0.00 0.00 36.38 35.73 3mcu s VAL 40 CO 0.01 0.43 1.42 -1.54 -0.31 0.00 0.00 175.10 175.11 3mcu n SER 41 N 3.21 0.00 0.00 4.85 3.41 -1.16 -4.52 113.62 119.42 3mcu n SER 41 Ca -0.19 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3mcu n SER 41 Cb 0.53 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3mcu n SER 41 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mcu n TYR 42 N -1.40 0.00 0.00 7.33 4.01 -1.26 -4.83 117.16 121.01 3mcu n TYR 42 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3mcu n TYR 42 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 3mcu n TYR 42 CO 0.00 0.00 0.00 -2.67 -0.46 0.00 0.00 176.86 173.73 3mcu n TRP 57 N 0.00 0.00 0.22 -0.72 4.27 -1.26 -5.02 117.44 114.93 3mcu n TRP 57 Ca 0.00 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.45 3mcu n TRP 57 Cb 0.00 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 29.87 3mcu n TRP 57 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 3mcu h ILE 58 N 0.00 0.20 -0.75 -1.67 2.04 -2.00 -2.35 117.51 112.99 3mcu h ILE 58 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 3mcu h ILE 58 Cb 0.00 0.20 -0.11 0.00 -0.74 0.00 0.00 36.82 36.16 3mcu h ILE 58 CO 0.00 0.00 0.16 0.11 0.00 0.00 0.00 178.15 178.42 3mcu h LYS 59 N -0.78 0.23 -0.64 2.37 1.79 -2.01 -0.34 116.57 117.20 3mcu h LYS 59 Ca -0.02 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 3mcu h LYS 59 Cb 0.71 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.26 3mcu h LYS 59 CO -0.10 0.15 0.38 -0.22 -1.08 0.00 0.00 179.45 178.59 3mcu h LYS 60 N 0.24 0.72 -0.66 3.15 3.64 -1.90 0.22 116.57 121.98 3mcu h LYS 60 Ca 0.42 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3mcu h LYS 60 Cb 0.74 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 3mcu h LYS 60 CO -0.54 0.48 0.40 0.82 -2.27 0.00 0.00 179.45 178.34 3mcu h ILE 61 N 0.74 1.19 0.00 2.00 2.04 -0.58 0.39 117.51 123.29 3mcu h ILE 61 Ca 0.27 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3mcu h ILE 61 Cb 0.07 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3mcu h ILE 61 CO -0.13 0.19 -0.24 -0.33 0.00 0.00 0.00 178.15 177.64 3mcu h GLU 62 N 0.90 0.00 -0.05 2.37 5.08 -0.21 0.19 114.58 122.86 3mcu h GLU 62 Ca 0.24 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3mcu h GLU 62 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3mcu h GLU 62 CO -0.05 0.24 -0.15 1.49 -1.00 0.00 0.00 179.01 179.54 3mcu h GLU 63 N 0.00 0.19 -0.81 2.33 4.81 0.69 0.21 114.58 121.99 3mcu h GLU 63 Ca -0.00 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 3mcu h GLU 63 Cb 0.48 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 3mcu h GLU 63 CO 0.03 0.77 0.54 0.82 -0.73 0.00 0.00 179.01 180.44 3mcu h ILE 64 N -0.36 1.15 0.00 2.32 2.04 0.16 -3.28 117.51 119.54 3mcu h ILE 64 Ca -0.01 -0.35 -0.17 0.00 1.00 0.00 0.00 64.86 65.33 3mcu h ILE 64 Cb 0.78 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3mcu h ILE 64 CO 0.03 0.19 -2.02 1.07 0.00 0.00 0.00 178.15 177.42 3mcu n THR 65 N -4.44 0.75 -0.98 -0.27 5.66 0.62 -4.96 114.28 110.65 3mcu n THR 65 Ca 0.10 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 3mcu n THR 65 Cb 0.09 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 3mcu n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3mcu n GLY 66 N 1.47 0.88 3.31 1.09 0.00 0.06 -4.72 105.19 107.27 3mcu n GLY 66 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3mcu n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mcu s PHE 67 N -3.57 2.06 0.55 1.61 0.08 -1.22 -5.04 117.98 112.45 3mcu s PHE 67 Ca 0.00 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.44 3mcu s PHE 67 Cb 0.00 -1.20 -0.05 0.00 -0.57 0.00 0.00 43.02 41.20 3mcu s PHE 67 CO 0.00 0.15 1.33 0.15 -0.10 0.00 0.00 175.22 176.75 3mcu s LYS 68 N -1.40 3.12 -0.10 0.44 3.01 -1.26 -4.43 119.74 119.13 3mcu s LYS 68 Ca 0.10 2.17 -0.30 0.00 -1.01 0.00 0.00 55.97 56.93 3mcu s LYS 68 Cb -0.10 -2.22 -0.02 0.00 -1.01 0.00 0.00 37.83 34.49 3mcu s LYS 68 CO 0.03 -1.18 1.08 0.00 0.51 0.00 0.00 175.35 175.79 3mcu s ALA 69 N -1.34 3.46 0.07 5.17 0.00 -1.26 -4.54 121.76 123.31 3mcu s ALA 69 Ca 0.72 0.45 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 3mcu s ALA 69 Cb -0.39 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.17 3mcu s ALA 69 CO 0.45 -0.70 1.66 0.42 0.00 0.00 0.00 175.76 177.60 3mcu s ILE 70 N 2.19 3.01 -0.01 0.00 1.01 -0.79 -4.85 121.20 121.76 3mcu s ILE 70 Ca 0.51 0.46 0.02 0.00 0.00 0.00 0.00 60.65 61.64 3mcu s ILE 70 Cb -0.20 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 38.99 3mcu s ILE 70 CO 0.19 -0.00 0.76 -0.46 0.00 0.00 0.00 174.94 175.42 3mcu n ASN 71 N 5.62 0.66 -3.85 3.58 0.23 -1.26 -1.36 115.26 118.88 3mcu n ASN 71 Ca 0.16 -1.58 -0.10 0.00 -0.53 0.00 0.00 54.58 52.53 3mcu n ASN 71 Cb 0.40 -0.07 -0.08 0.00 -2.08 0.00 0.00 39.78 37.95 3mcu n ASN 71 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 3mcu s SER 72 N -0.65 0.07 0.15 0.53 1.04 -1.26 -4.85 113.70 108.72 3mcu s SER 72 Ca 0.03 -0.47 -0.13 0.00 0.48 0.00 0.00 55.95 55.85 3mcu s SER 72 Cb 0.02 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.48 3mcu s SER 72 CO 0.00 -0.62 1.67 0.40 0.98 0.00 0.00 173.24 175.67 3mcu h ILE 73 N 3.20 1.23 -0.27 -1.02 2.04 -1.91 -2.31 117.51 118.47 3mcu h ILE 73 Ca -0.33 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 3mcu h ILE 73 Cb 1.19 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 3mcu h ILE 73 CO 0.51 0.29 0.06 0.58 0.00 0.00 0.00 178.15 179.59 3mcu h VAL 74 N 0.68 1.14 0.00 1.67 2.07 -1.98 -0.54 116.25 119.28 3mcu h VAL 74 Ca 0.16 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3mcu h VAL 74 Cb 0.29 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3mcu h VAL 74 CO -0.00 0.17 0.00 1.23 0.02 0.00 0.00 177.57 178.99 3mcu h GLY 75 N 0.61 0.00 1.00 2.17 0.00 -1.84 -3.11 103.07 101.90 3mcu h GLY 75 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.26 3mcu h GLY 75 CO -0.00 0.00 -1.39 0.00 0.00 0.00 0.00 176.54 175.15 3mcu h ALA 76 N 2.03 0.65 -0.54 3.60 0.00 -0.66 -3.38 119.26 120.95 3mcu h ALA 76 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 54.91 54.11 3mcu h ALA 76 Cb 0.49 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3mcu h ALA 76 CO 0.00 0.89 0.36 0.93 0.00 0.00 0.00 179.25 181.43 3mcu h GLU 77 N 0.00 0.69 0.00 0.00 5.08 -1.38 -2.42 114.58 116.56 3mcu h GLU 77 Ca -0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3mcu h GLU 77 Cb 1.56 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3mcu h GLU 77 CO 0.04 0.46 0.00 -1.35 -1.00 0.00 0.00 179.01 177.16 3mcu h PRO 78 N 0.71 0.00 0.00 2.33 0.11 -1.74 -1.81 132.00 131.60 3mcu h PRO 78 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3mcu h PRO 78 Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3mcu h PRO 78 CO -0.05 0.00 0.07 -0.07 -0.21 0.00 0.00 178.00 177.74 3mcu h LEU 79 N 0.00 0.00 0.00 2.35 4.07 -1.67 -0.69 115.31 119.37 3mcu h LEU 79 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3mcu h LEU 79 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3mcu h LEU 79 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 3mcu n GLY 80 N -1.21 1.20 0.08 0.83 0.00 -0.68 -3.64 105.19 101.78 3mcu n GLY 80 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 3mcu n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mcu h PRO 81 N 0.00 0.01 0.00 1.61 0.13 -1.72 -3.38 132.00 128.65 3mcu h PRO 81 Ca 0.00 -0.02 -0.39 0.00 -0.87 0.00 0.00 66.00 64.72 3mcu h PRO 81 Cb 0.00 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.08 3mcu h PRO 81 CO 0.00 0.91 -2.32 1.63 -0.23 0.00 0.00 178.00 177.99 3mcu n LYS 82 N -3.48 0.51 -3.09 0.86 5.02 -0.39 -4.75 118.16 112.84 3mcu n LYS 82 Ca -0.01 0.20 -0.28 0.00 -2.02 0.00 0.00 58.31 56.20 3mcu n LYS 82 Cb 0.86 -1.37 -0.05 0.00 -0.02 0.00 0.00 35.03 34.45 3mcu n LYS 82 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3mcu n ILE 83 N -3.88 3.07 -1.68 -0.18 -5.35 -0.48 -5.03 119.36 105.84 3mcu n ILE 83 Ca -0.45 -5.50 -0.45 0.00 -0.27 0.00 0.00 62.75 56.08 3mcu n ILE 83 Cb 0.85 -1.67 -0.03 0.00 -1.74 0.00 0.00 39.64 37.05 3mcu n ILE 83 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 3mcu n PRO 84 N 0.19 2.11 -2.62 6.28 -0.04 -1.24 -4.55 135.00 135.13 3mcu n PRO 84 Ca 0.31 0.75 -0.32 0.00 -0.04 0.00 0.00 63.50 64.21 3mcu n PRO 84 Cb 0.39 -2.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.36 3mcu n PRO 84 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mcu s LEU 85 N 0.20 3.77 0.09 1.53 1.43 -1.25 -4.89 118.68 119.56 3mcu s LEU 85 Ca 0.70 1.55 0.15 0.00 -1.03 0.00 0.00 54.13 55.50 3mcu s LEU 85 Cb -0.64 -4.45 -0.12 0.00 0.03 0.00 0.00 46.19 41.01 3mcu s LEU 85 CO 0.47 -0.47 0.96 0.44 0.23 0.00 0.00 176.35 177.98 3mcu h ASP 86 N 1.36 0.00 0.00 2.29 3.32 -1.30 -3.48 116.42 118.61 3mcu h ASP 86 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3mcu h ASP 86 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3mcu h ASP 86 CO 0.62 0.66 0.00 0.00 -1.72 0.00 0.00 179.24 178.80 3mcu s VAL 89 N -2.40 0.00 -0.17 0.00 1.01 0.12 -0.37 120.40 118.59 3mcu s VAL 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3mcu s VAL 89 Cb 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 36.38 35.42 3mcu s VAL 89 CO 0.00 0.00 -0.10 -0.63 0.00 0.00 0.00 175.10 174.37 3mcu s ILE 90 N 0.34 1.50 -0.30 2.22 1.01 -0.33 0.07 121.20 125.72 3mcu s ILE 90 Ca 0.02 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 3mcu s ILE 90 Cb -0.05 -1.54 0.16 0.00 0.01 0.00 0.00 42.46 41.04 3mcu s ILE 90 CO -0.10 0.26 0.73 0.00 0.00 0.00 0.00 174.94 175.83 3mcu s ALA 91 N 1.48 -2.36 0.60 9.38 0.00 -0.58 -1.65 121.76 128.63 3mcu s ALA 91 Ca 0.01 2.06 -0.10 0.00 0.00 0.00 0.00 51.96 53.93 3mcu s ALA 91 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 3mcu s ALA 91 CO -0.09 -1.10 1.00 -1.25 0.00 0.00 0.00 175.76 174.31 3mcu s PRO 92 N 2.81 3.54 -0.33 0.00 0.04 -1.26 -4.57 135.00 135.23 3mcu s PRO 92 Ca 0.03 0.64 -0.07 0.00 0.04 0.00 0.00 61.00 61.64 3mcu s PRO 92 Cb -0.12 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.33 3mcu s PRO 92 CO -0.19 -0.54 0.10 -1.17 0.04 0.00 0.00 177.00 175.24 3mcu s LEU 93 N -5.12 4.21 0.78 -3.56 0.20 -0.62 -2.67 118.68 111.90 3mcu s LEU 93 Ca 0.54 -1.03 -0.11 0.00 0.69 0.00 0.00 54.13 54.21 3mcu s LEU 93 Cb -0.11 -1.87 0.06 0.00 -0.43 0.00 0.00 46.19 43.84 3mcu s LEU 93 CO 0.52 -0.30 1.10 0.42 -0.29 0.00 0.00 176.35 177.81 3mcu s THR 94 N 1.43 3.12 0.28 3.68 -4.23 -1.26 -1.80 115.64 116.86 3mcu s THR 94 Ca -0.01 0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 3mcu s THR 94 Cb -0.19 -3.17 0.25 0.00 1.34 0.00 0.00 72.50 70.73 3mcu s THR 94 CO 0.03 -0.48 1.94 1.23 -0.54 0.00 0.00 174.62 176.80 3mcu h GLY 95 N -1.00 1.22 0.79 3.99 0.00 -1.96 -2.80 103.07 103.30 3mcu h GLY 95 Ca -0.47 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.38 3mcu h GLY 95 CO 0.60 0.47 -0.01 -0.57 0.00 0.00 0.00 176.54 177.03 3mcu h ASN 96 N 1.17 -0.03 0.00 0.19 -1.24 -1.94 -2.17 115.58 111.56 3mcu h ASN 96 Ca 0.31 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.11 3mcu h ASN 96 Cb -0.09 0.01 0.00 0.00 0.73 0.00 0.00 38.32 38.96 3mcu h ASN 96 CO -0.06 0.19 0.00 -1.20 -1.29 0.00 0.00 177.43 175.07 3mcu n SER 97 N -5.00 0.45 0.00 1.15 7.64 -1.06 -1.58 113.62 115.22 3mcu n SER 97 Ca -0.08 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.49 3mcu n SER 97 Cb 0.14 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3mcu n SER 97 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3mcu n SER 99 N 0.89 0.00 -0.17 6.43 2.88 -0.82 -0.02 113.62 122.80 3mcu n SER 99 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 3mcu n SER 99 Cb 0.08 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.56 3mcu n SER 99 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3mcu h LYS 100 N 0.00 0.68 -0.20 -1.46 1.57 -1.56 -1.83 116.57 113.77 3mcu h LYS 100 Ca 0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3mcu h LYS 100 Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3mcu h LYS 100 CO 0.00 0.45 0.12 0.35 -0.57 0.00 0.00 179.45 179.80 3mcu h PHE 101 N 0.70 0.26 0.00 -1.35 3.57 -0.70 -1.19 116.94 118.23 3mcu h PHE 101 Ca 0.19 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3mcu h PHE 101 Cb -0.08 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 3mcu h PHE 101 CO -0.04 0.21 -0.09 0.00 -2.23 0.00 0.00 178.31 176.15 3mcu h ALA 102 N 1.03 1.60 -0.09 2.41 0.00 -1.74 -1.82 119.26 120.65 3mcu h ALA 102 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mcu h ALA 102 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3mcu h ALA 102 CO -0.01 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.45 3mcu n ASN 103 N -4.07 2.43 -1.99 0.00 4.13 -0.71 -4.96 115.26 110.09 3mcu n ASN 103 Ca -0.02 -1.81 -0.02 0.00 1.68 0.00 0.00 54.58 54.41 3mcu n ASN 103 Cb 0.18 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.36 3mcu n ASN 103 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mcu n ALA 104 N 0.88 -3.31 -2.50 5.41 0.00 -0.50 -5.05 120.51 115.43 3mcu n ALA 104 Ca 0.17 0.94 -0.00 0.00 0.00 0.00 0.00 53.44 54.54 3mcu n ALA 104 Cb 0.49 -1.84 0.01 0.00 0.00 0.00 0.00 19.45 18.12 3mcu n ALA 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mcu n THR 106 N 0.68 0.00 0.24 0.00 -2.24 -1.26 -5.04 114.28 106.66 3mcu n THR 106 Ca -0.16 -0.10 -0.08 0.00 -2.27 0.00 0.00 64.05 61.44 3mcu n THR 106 Cb 0.24 0.55 0.06 0.00 -2.10 0.00 0.00 70.33 69.08 3mcu n THR 106 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mcu n ASP 107 N -0.16 3.35 -3.57 3.42 5.75 -1.26 -4.79 116.55 119.28 3mcu n ASP 107 Ca -0.02 -2.53 -0.13 0.00 -0.01 0.00 0.00 54.79 52.09 3mcu n ASP 107 Cb 0.54 -0.63 -0.05 0.00 -1.03 0.00 0.00 41.12 39.95 3mcu n ASP 107 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3mcu s SER 108 N 0.28 -0.42 0.35 -1.12 1.04 -1.26 -5.05 113.70 107.51 3mcu s SER 108 Ca 0.18 0.12 0.11 0.00 0.48 0.00 0.00 55.95 56.84 3mcu s SER 108 Cb 0.16 0.49 0.91 0.00 0.10 0.00 0.00 66.02 67.68 3mcu s SER 108 CO 0.03 -0.74 1.78 -0.65 0.98 0.00 0.00 173.24 174.64 3mcu h PRO 109 N 2.71 0.57 -0.07 4.02 0.11 -1.80 -2.68 132.00 134.85 3mcu h PRO 109 Ca -0.31 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.71 3mcu h PRO 109 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3mcu h PRO 109 CO 0.42 0.38 -0.16 0.28 -0.21 0.00 0.00 178.00 178.70 3mcu h VAL 110 N 0.59 1.41 0.00 3.15 2.07 -1.91 -0.03 116.25 121.53 3mcu h VAL 110 Ca 0.58 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3mcu h VAL 110 Cb 1.16 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3mcu h VAL 110 CO -0.35 0.42 0.00 0.18 0.02 0.00 0.00 177.57 177.83 3mcu n LEU 111 N -4.59 0.09 0.00 2.57 4.77 -1.01 -1.29 117.00 117.54 3mcu n LEU 111 Ca -0.08 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3mcu n LEU 111 Cb 0.39 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3mcu n LEU 111 CO 0.38 0.02 0.00 0.00 -1.33 0.00 0.00 177.39 176.46 3mcu n ALA 113 N 0.81 0.00 -0.07 -1.18 0.00 -0.03 -1.44 120.51 118.61 3mcu n ALA 113 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3mcu n ALA 113 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 3mcu n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mcu h ALA 114 N 0.00 0.34 -0.48 0.00 0.00 -1.46 -2.07 119.26 115.58 3mcu h ALA 114 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3mcu h ALA 114 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3mcu h ALA 114 CO 0.00 -0.20 0.28 -0.22 0.00 0.00 0.00 179.25 179.11 3mcu h LYS 115 N 0.35 0.55 0.00 0.00 3.64 -1.52 -0.96 116.57 118.63 3mcu h LYS 115 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3mcu h LYS 115 Cb -0.04 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3mcu h LYS 115 CO -0.03 0.36 0.00 0.00 -2.27 0.00 0.00 179.45 177.52 3mcu h ALA 116 N 1.22 1.00 0.10 5.00 0.00 -1.76 0.18 119.26 125.00 3mcu h ALA 116 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 3mcu h ALA 116 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3mcu h ALA 116 CO -0.09 0.00 -1.39 1.15 0.00 0.00 0.00 179.25 178.92 3mcu h THR 117 N 0.00 1.02 0.00 0.00 2.02 -0.62 -3.30 112.91 112.04 3mcu h THR 117 Ca 0.00 -2.38 -0.01 0.00 0.77 0.00 0.00 66.41 64.79 3mcu h THR 117 Cb 0.20 2.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 3mcu h THR 117 CO 0.00 0.68 -0.05 -0.07 0.37 0.00 0.00 175.52 176.45 3mcu h LEU 118 N -0.36 0.00 -0.83 2.58 3.38 -0.84 -2.17 115.31 117.07 3mcu h LEU 118 Ca -0.31 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.81 3mcu h LEU 118 Cb 1.72 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.37 3mcu h LEU 118 CO 0.04 0.05 0.41 -0.09 0.09 0.00 0.00 178.44 178.94 3mcu h ARG 119 N 0.00 0.58 -0.45 1.13 2.43 -0.72 -2.31 114.38 115.05 3mcu h ARG 119 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3mcu h ARG 119 Cb 0.42 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3mcu h ARG 119 CO 0.01 0.38 0.00 0.09 -1.51 0.00 0.00 179.97 178.94 3mcu n ASN 120 N -4.89 2.88 -0.60 -3.80 3.02 -0.98 -4.93 115.26 105.96 3mcu n ASN 120 Ca 0.16 -1.95 -0.06 0.00 -0.03 0.00 0.00 54.58 52.70 3mcu n ASN 120 Cb 0.43 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 3mcu n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mcu n GLY 121 N 1.38 0.53 3.88 7.41 0.00 -0.87 -5.04 105.19 112.47 3mcu n GLY 121 Ca 0.18 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 3mcu n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcu s LYS 122 N -3.34 3.16 0.29 1.61 -0.14 -0.85 -4.97 119.74 115.50 3mcu s LYS 122 Ca 0.00 -0.79 -0.29 0.00 -1.36 0.00 0.00 55.97 53.53 3mcu s LYS 122 Cb 0.00 -2.78 -0.10 0.00 -1.68 0.00 0.00 37.83 33.28 3mcu s LYS 122 CO 0.00 0.48 1.17 -1.25 -0.76 0.00 0.00 175.35 174.99 3mcu s PRO 123 N -3.39 4.54 -0.12 -1.68 0.04 -1.26 -4.09 135.00 129.04 3mcu s PRO 123 Ca 0.33 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.32 3mcu s PRO 123 Cb -0.10 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 3mcu s PRO 123 CO 0.26 0.06 -0.14 0.08 0.04 0.00 0.00 177.00 177.30 3mcu s VAL 124 N -1.07 2.93 -0.13 -0.36 1.01 0.20 -4.38 120.40 118.60 3mcu s VAL 124 Ca 0.47 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 3mcu s VAL 124 Cb -0.35 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 3mcu s VAL 124 CO 0.45 0.53 -0.13 -0.69 0.00 0.00 0.00 175.10 175.26 3mcu s VAL 125 N 0.28 3.08 -0.09 2.92 1.01 -1.26 -0.91 120.40 125.44 3mcu s VAL 125 Ca -0.11 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3mcu s VAL 125 Cb -0.16 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3mcu s VAL 125 CO 0.06 0.53 -0.20 -0.76 0.00 0.00 0.00 175.10 174.73 3mcu s LEU 126 N 0.28 2.36 -0.58 3.92 1.43 0.63 -1.18 118.68 125.54 3mcu s LEU 126 Ca -0.09 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3mcu s LEU 126 Cb -0.16 -1.48 0.15 0.00 0.03 0.00 0.00 46.19 44.74 3mcu s LEU 126 CO 0.05 0.21 0.42 0.00 0.23 0.00 0.00 176.35 177.26 3mcu s ALA 127 N 0.09 3.53 0.44 4.21 0.00 -0.66 -1.02 121.76 128.35 3mcu s ALA 127 Ca -0.09 -3.01 -0.24 0.00 0.00 0.00 0.00 51.96 48.62 3mcu s ALA 127 Cb -0.15 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.14 3mcu s ALA 127 CO 0.06 -2.04 1.18 0.54 0.00 0.00 0.00 175.76 175.50 3mcu s VAL 128 N 0.43 3.05 -0.40 0.00 0.11 -1.26 -1.58 120.40 120.74 3mcu s VAL 128 Ca 0.14 0.82 0.07 0.00 -2.93 0.00 0.00 61.98 60.08 3mcu s VAL 128 Cb -0.21 -3.43 0.18 0.00 -1.53 0.00 0.00 36.38 31.39 3mcu s VAL 128 CO -0.04 0.02 0.59 -0.55 -3.33 0.00 0.00 175.10 171.79 3mcu s SER 129 N -1.24 -1.09 -0.15 3.54 0.15 -0.75 -0.21 113.70 113.96 3mcu s SER 129 Ca 0.62 -0.92 -0.22 0.00 0.70 0.00 0.00 55.95 56.13 3mcu s SER 129 Cb -0.30 1.73 0.05 0.00 -1.71 0.00 0.00 66.02 65.80 3mcu s SER 129 CO 0.37 -0.18 0.56 0.28 1.20 0.00 0.00 173.24 175.47 3mcu s THR 130 N 1.78 0.01 -2.05 6.45 -1.32 -1.26 -3.91 115.64 115.34 3mcu s THR 130 Ca 0.16 -0.07 0.31 0.00 -1.21 0.00 0.00 61.69 60.89 3mcu s THR 130 Cb -0.06 -0.82 0.82 0.00 -1.51 0.00 0.00 72.50 70.93 3mcu s THR 130 CO -0.06 -0.04 2.13 -0.46 -2.21 0.00 0.00 174.62 173.98 3mcu n ASN 131 N 2.14 0.27 -0.43 8.08 0.23 -1.26 -3.16 115.26 121.13 3mcu n ASN 131 Ca -0.16 -1.04 0.08 0.00 -0.53 0.00 0.00 54.58 52.94 3mcu n ASN 131 Cb 0.56 -0.01 0.19 0.00 -2.08 0.00 0.00 39.78 38.43 3mcu n ASN 131 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3mcu n ASP 132 N -0.81 2.77 0.24 0.53 5.75 -1.24 -3.27 116.55 120.52 3mcu n ASP 132 Ca 0.22 -3.18 0.07 0.00 -0.01 0.00 0.00 54.79 51.89 3mcu n ASP 132 Cb 0.16 -0.49 0.56 0.00 -1.03 0.00 0.00 41.12 40.33 3mcu n ASP 132 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mcu h ALA 133 N 0.69 1.76 -0.39 2.12 0.00 -0.97 0.13 119.26 122.60 3mcu h ALA 133 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3mcu h ALA 133 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3mcu h ALA 133 CO 0.09 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.78 3mcu n LEU 134 N -4.34 3.24 0.00 0.00 4.77 -0.07 -2.95 117.00 117.64 3mcu n LEU 134 Ca -0.03 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 3mcu n LEU 134 Cb 0.20 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3mcu n LEU 134 CO 0.35 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 3mcu n GLY 135 N 1.19 0.52 0.25 -0.72 0.00 0.42 -4.83 105.19 102.01 3mcu n GLY 135 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3mcu n GLY 135 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mcu h LEU 136 N 0.00 0.00 -0.10 0.99 3.38 -1.88 -2.35 115.31 115.36 3mcu h LEU 136 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mcu h LEU 136 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3mcu h LEU 136 CO 0.00 0.14 -0.04 -3.20 0.09 0.00 0.00 178.44 175.43 3mcu n ASN 137 N -3.40 0.20 -0.23 -0.43 2.85 -0.93 -4.02 115.26 109.30 3mcu n ASN 137 Ca -0.01 -0.41 -0.06 0.00 -0.11 0.00 0.00 54.58 53.99 3mcu n ASN 137 Cb 0.33 -0.17 0.04 0.00 1.24 0.00 0.00 39.78 41.23 3mcu n ASN 137 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3mcu h GLY 138 N 4.99 0.95 1.49 8.20 0.00 -1.30 -1.42 103.07 115.97 3mcu h GLY 138 Ca 0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3mcu h GLY 138 CO 0.00 0.40 0.05 -0.39 0.00 0.00 0.00 176.54 176.59 3mcu h VAL 139 N 0.88 1.21 -0.45 4.60 -1.51 -1.79 -2.89 116.25 116.29 3mcu h VAL 139 Ca 0.23 -0.79 -0.12 0.00 -1.23 0.00 0.00 66.70 64.79 3mcu h VAL 139 Cb 0.01 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 3mcu h VAL 139 CO -0.04 0.28 -0.17 0.78 -1.23 0.00 0.00 177.57 177.19 3mcu h ASN 140 N 0.61 0.94 0.00 4.19 2.35 -1.59 -1.07 115.58 121.01 3mcu h ASN 140 Ca 0.13 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3mcu h ASN 140 Cb 0.32 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3mcu h ASN 140 CO 0.01 1.11 0.00 -0.11 -1.65 0.00 0.00 177.43 176.79 3mcu n LEU 141 N -4.19 0.34 0.00 1.61 0.00 -0.62 -2.35 117.00 111.79 3mcu n LEU 141 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 56.01 55.84 3mcu n LEU 141 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 43.42 43.73 3mcu n LEU 141 CO 0.45 0.07 0.00 -1.14 0.00 0.00 0.00 177.39 176.77 3mcu n ARG 143 N 0.51 0.00 0.00 1.96 0.63 -0.41 -4.74 116.66 114.61 3mcu n ARG 143 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3mcu n ARG 143 Cb 0.07 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.98 3mcu n ARG 143 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3mcu n LEU 144 N 0.00 0.00 0.00 6.15 4.77 -0.99 -2.54 117.00 124.39 3mcu n LEU 144 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3mcu n LEU 144 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3mcu n LEU 144 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 3mcu n ALA 146 N 1.26 0.00 -2.11 -1.18 0.00 -1.26 -4.76 120.51 112.47 3mcu n ALA 146 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3mcu n ALA 146 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3mcu n ALA 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mcu s THR 147 N 0.00 4.56 0.12 0.00 2.01 -1.05 -5.01 115.64 116.27 3mcu s THR 147 Ca 0.00 1.35 -0.35 0.00 0.31 0.00 0.00 61.69 63.00 3mcu s THR 147 Cb 0.00 -3.92 -0.16 0.00 0.01 0.00 0.00 72.50 68.43 3mcu s THR 147 CO 0.00 0.32 1.39 0.29 -0.69 0.00 0.00 174.62 175.94 3mcu n LYS 148 N 1.04 1.48 -1.13 4.92 5.02 -1.26 -2.98 118.16 125.25 3mcu n LYS 148 Ca -0.04 0.53 -0.04 0.00 -2.02 0.00 0.00 58.31 56.74 3mcu n LYS 148 Cb 0.51 -2.20 -0.02 0.00 -0.02 0.00 0.00 35.03 33.30 3mcu n LYS 148 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mcu n ASN 149 N 2.71 -3.67 -4.24 4.39 3.02 -1.26 -5.01 115.26 111.21 3mcu n ASN 149 Ca 0.17 0.11 -0.32 0.00 -0.03 0.00 0.00 54.58 54.51 3mcu n ASN 149 Cb 0.23 -1.56 -0.17 0.00 -0.61 0.00 0.00 39.78 37.67 3mcu n ASN 149 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mcu s ILE 150 N -2.12 2.18 0.07 2.41 1.01 -1.16 -0.63 121.20 122.96 3mcu s ILE 150 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.71 3mcu s ILE 150 Cb 0.00 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3mcu s ILE 150 CO 0.00 0.55 -0.11 -0.31 0.00 0.00 0.00 174.94 175.08 3mcu s TYR 151 N 0.37 1.00 -0.07 3.97 2.02 -0.09 -4.86 117.35 119.70 3mcu s TYR 151 Ca -0.17 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.03 3mcu s TYR 151 Cb -0.18 -0.56 -0.01 0.00 -0.40 0.00 0.00 41.96 40.81 3mcu s TYR 151 CO 0.08 -0.01 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.76 3mcu s PHE 152 N -1.75 2.51 0.17 2.71 0.40 -1.26 -0.27 117.98 120.48 3mcu s PHE 152 Ca -0.01 -0.71 -0.30 0.00 -0.60 0.00 0.00 56.93 55.30 3mcu s PHE 152 Cb -0.07 -1.64 -0.08 0.00 0.51 0.00 0.00 43.02 41.74 3mcu s PHE 152 CO 0.01 -0.21 1.33 0.14 0.70 0.00 0.00 175.22 177.18 3mcu s VAL 153 N -0.10 3.28 0.36 -0.44 -7.23 -0.19 -4.75 120.40 111.33 3mcu s VAL 153 Ca -0.05 1.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.88 3mcu s VAL 153 Cb -0.14 -3.64 -0.13 0.00 0.56 0.00 0.00 36.38 33.02 3mcu s VAL 153 CO 0.04 0.13 0.64 -2.65 -0.31 0.00 0.00 175.10 172.95 3mcu n PRO 154 N 3.06 0.66 -3.99 4.82 -0.02 -1.26 -4.63 135.00 133.63 3mcu n PRO 154 Ca 0.08 0.24 -0.10 0.00 -2.02 0.00 0.00 63.50 61.70 3mcu n PRO 154 Cb 0.43 -1.51 -0.06 0.00 -0.02 0.00 0.00 33.50 32.34 3mcu n PRO 154 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3mcu s PHE 155 N -1.32 0.44 0.01 6.00 -0.12 -0.45 -0.54 117.98 121.99 3mcu s PHE 155 Ca 0.62 -0.78 -0.08 0.00 -0.05 0.00 0.00 56.93 56.64 3mcu s PHE 155 Cb -0.67 0.04 0.03 0.00 -0.63 0.00 0.00 43.02 41.79 3mcu s PHE 155 CO 0.58 -0.87 0.35 0.41 -0.05 0.00 0.00 175.22 175.65 3mcu n GLY 156 N -0.32 0.66 3.68 1.99 0.00 -0.94 -1.37 105.19 108.90 3mcu n GLY 156 Ca -0.03 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 3mcu n GLY 156 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mcu s GLN 157 N -2.01 4.23 0.28 1.61 -0.21 -1.26 -0.97 119.66 121.34 3mcu s GLN 157 Ca 0.08 2.13 0.22 0.00 0.02 0.00 0.00 55.36 57.82 3mcu s GLN 157 Cb -0.00 -3.65 0.12 0.00 1.00 0.00 0.00 33.01 30.47 3mcu s GLN 157 CO 0.00 -0.68 1.25 0.38 -2.12 0.00 0.00 175.29 174.12 3mcu h ASP 158 N 8.29 0.00 -0.48 5.90 -0.00 -1.88 -0.29 116.42 127.97 3mcu h ASP 158 Ca -0.40 0.00 -0.23 0.00 -0.00 0.00 0.00 57.03 56.41 3mcu h ASP 158 Cb 1.19 0.00 -0.17 0.00 -0.00 0.00 0.00 39.33 40.35 3mcu h ASP 158 CO 0.92 0.03 -0.54 0.00 -0.00 0.00 0.00 179.24 179.66 3mcu n ALA 159 N -2.16 -1.24 0.11 4.15 0.00 -1.26 -4.40 120.51 115.71 3mcu n ALA 159 Ca 0.01 -1.44 0.18 0.00 0.00 0.00 0.00 53.44 52.18 3mcu n ALA 159 Cb 0.56 -1.34 0.73 0.00 0.00 0.00 0.00 19.45 19.39 3mcu n ALA 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3mcu h PRO 160 N 4.35 0.00 0.02 0.00 0.11 -1.84 0.12 132.00 134.77 3mcu h PRO 160 Ca -0.06 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.69 3mcu h PRO 160 Cb 1.04 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3mcu h PRO 160 CO 0.24 0.00 -1.98 0.39 -0.21 0.00 0.00 178.00 176.45 3mcu n GLU 161 N -4.17 0.61 -0.16 1.05 -0.58 -1.26 -3.92 120.64 112.21 3mcu n GLU 161 Ca 0.05 0.37 -0.11 0.00 -0.42 0.00 0.00 57.16 57.05 3mcu n GLU 161 Cb 0.45 -1.62 -0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3mcu n GLU 161 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3mcu h LYS 162 N -0.75 0.95 -2.49 3.49 1.79 -1.95 -3.38 116.57 114.22 3mcu h LYS 162 Ca -0.52 -0.39 -0.59 0.00 -2.18 0.00 0.00 60.65 56.96 3mcu h LYS 162 Cb 1.58 -0.04 -0.39 0.00 -1.58 0.00 0.00 32.23 31.80 3mcu h LYS 162 CO -0.24 1.06 -0.89 1.63 -1.08 0.00 0.00 179.45 179.92 3mcu n LYS 163 N -4.17 0.64 0.18 3.15 5.02 0.42 -5.02 118.16 118.37 3mcu n LYS 163 Ca -0.00 -3.50 0.09 0.00 -2.02 0.00 0.00 58.31 52.88 3mcu n LYS 163 Cb 0.43 -1.79 0.61 0.00 -0.02 0.00 0.00 35.03 34.26 3mcu n LYS 163 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3mcu h PRO 164 N 5.42 0.09 -0.35 1.97 0.11 -1.68 -1.49 132.00 136.08 3mcu h PRO 164 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3mcu h PRO 164 Cb 0.87 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3mcu h PRO 164 CO 0.46 0.06 0.00 0.09 -0.21 0.00 0.00 178.00 178.41 3mcu n ASN 165 N -4.51 2.46 -4.31 -2.05 3.02 -1.26 -4.89 115.26 103.72 3mcu n ASN 165 Ca -0.00 -1.89 -0.28 0.00 -0.03 0.00 0.00 54.58 52.38 3mcu n ASN 165 Cb 0.16 -0.23 0.16 0.00 -0.61 0.00 0.00 39.78 39.27 3mcu n ASN 165 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3mcu s SER 166 N -1.33 3.52 0.00 6.41 0.15 -0.56 -0.89 113.70 121.00 3mcu s SER 166 Ca 0.34 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.06 3mcu s SER 166 Cb 0.18 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 3mcu s SER 166 CO 0.26 -2.45 0.00 0.52 1.20 0.00 0.00 173.24 172.77 3mcu n VAL 168 N -3.47 0.00 -1.61 4.45 0.31 -0.15 -3.78 118.33 114.08 3mcu n VAL 168 Ca 0.15 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.17 3mcu n VAL 168 Cb 0.60 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.58 3mcu n VAL 168 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mcu s ALA 169 N -1.12 2.59 0.70 3.52 0.00 0.71 -2.21 121.76 125.94 3mcu s ALA 169 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 3mcu s ALA 169 Cb 0.00 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 19.99 3mcu s ALA 169 CO 0.00 -1.25 0.99 1.03 0.00 0.00 0.00 175.76 176.52 3mcu s ARG 170 N -4.76 2.00 0.00 0.00 0.52 0.30 -4.94 118.95 112.07 3mcu s ARG 170 Ca 0.60 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 3mcu s ARG 170 Cb -0.15 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.07 3mcu s ARG 170 CO 0.51 -1.28 0.00 -0.85 0.02 0.00 0.00 175.30 173.69 3mcu n GLU 172 N -2.85 0.00 -0.15 3.54 0.00 -1.26 -3.97 120.64 115.94 3mcu n GLU 172 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.37 3mcu n GLU 172 Cb 0.60 0.00 0.18 0.00 0.00 0.00 0.00 31.44 32.23 3mcu n GLU 172 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3mcu n LEU 173 N 0.00 3.29 -0.00 -1.84 4.77 -1.26 -4.65 117.00 117.30 3mcu n LEU 173 Ca 0.00 -1.43 -0.12 0.00 -0.03 0.00 0.00 56.01 54.43 3mcu n LEU 173 Cb 0.00 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 3mcu n LEU 173 CO 0.00 0.69 0.60 0.25 -1.33 0.00 0.00 177.39 177.60 3mcu h LEU 174 N 4.24 -1.25 -0.26 2.23 5.85 -1.99 -0.90 115.31 123.24 3mcu h LEU 174 Ca 0.00 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3mcu h LEU 174 Cb 0.94 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 42.45 3mcu h LEU 174 CO 0.00 -0.41 0.04 -0.33 -0.34 0.00 0.00 178.44 177.40 3mcu h GLU 175 N -0.47 0.13 -0.72 1.25 3.07 -1.97 0.12 114.58 116.00 3mcu h GLU 175 Ca 0.08 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.02 3mcu h GLU 175 Cb 0.61 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.42 3mcu h GLU 175 CO -0.39 0.09 0.37 -0.44 -1.40 0.00 0.00 179.01 177.24 3mcu h ASP 176 N 0.13 0.51 -0.16 1.42 3.45 -1.84 -0.39 116.42 119.55 3mcu h ASP 176 Ca 0.12 0.05 0.01 0.00 0.43 0.00 0.00 57.03 57.64 3mcu h ASP 176 Cb 0.13 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 3mcu h ASP 176 CO -0.17 0.30 0.09 0.74 -1.57 0.00 0.00 179.24 178.62 3mcu h THR 177 N 0.64 1.01 -0.74 0.35 2.02 0.20 -1.92 112.91 114.48 3mcu h THR 177 Ca 0.35 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.49 3mcu h THR 177 Cb 0.33 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 3mcu h THR 177 CO -0.25 0.03 0.49 0.58 0.37 0.00 0.00 175.52 176.74 3mcu h VAL 178 N 0.18 1.13 0.00 3.16 2.07 -0.28 -1.07 116.25 121.44 3mcu h VAL 178 Ca 0.06 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3mcu h VAL 178 Cb 0.00 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3mcu h VAL 178 CO -0.04 0.17 -0.00 -0.07 0.02 0.00 0.00 177.57 177.65 3mcu h LEU 179 N 0.92 -0.00 -0.98 2.57 3.38 -0.67 -2.36 115.31 118.17 3mcu h LEU 179 Ca 0.29 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3mcu h LEU 179 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3mcu h LEU 179 CO -0.08 0.17 0.27 -0.33 0.09 0.00 0.00 178.44 178.57 3mcu h GLU 180 N -0.18 1.01 -0.66 1.13 4.39 -1.11 -3.11 114.58 116.05 3mcu h GLU 180 Ca -0.00 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 3mcu h GLU 180 Cb 0.18 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3mcu h GLU 180 CO 0.00 0.82 0.12 0.00 -1.16 0.00 0.00 179.01 178.79 3mcu h ALA 181 N 1.31 0.96 -0.54 3.43 0.00 -0.91 0.27 119.26 123.78 3mcu h ALA 181 Ca 0.23 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 55.02 3mcu h ALA 181 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3mcu h ALA 181 CO -0.02 0.66 0.38 -0.07 0.00 0.00 0.00 179.25 180.20 3mcu h LEU 182 N 1.02 0.08 -1.04 0.00 3.38 -1.36 0.40 115.31 117.79 3mcu h LEU 182 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3mcu h LEU 182 Cb 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3mcu h LEU 182 CO 0.01 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3mcu n GLN 183 N -4.40 1.69 -1.69 1.13 6.02 -0.60 -4.91 117.38 114.61 3mcu n GLN 183 Ca 0.10 -1.03 -0.06 0.00 -0.01 0.00 0.00 57.00 56.00 3mcu n GLN 183 Cb 0.56 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.41 3mcu n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mcu n GLY 184 N 1.12 0.44 3.45 1.08 0.00 0.14 -5.04 105.19 106.37 3mcu n GLY 184 Ca 0.16 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 3mcu n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mcu s LYS 185 N -3.49 1.84 -0.22 1.61 -0.14 0.85 -4.98 119.74 115.21 3mcu s LYS 185 Ca 0.00 -1.12 -0.18 0.00 -1.36 0.00 0.00 55.97 53.31 3mcu s LYS 185 Cb 0.00 -2.10 -0.03 0.00 -1.68 0.00 0.00 37.83 34.02 3mcu s LYS 185 CO 0.00 0.50 0.52 -1.14 -0.76 0.00 0.00 175.35 174.48 3mcu s GLN 186 N -1.76 4.14 0.28 1.68 2.00 -1.26 -2.55 119.66 122.19 3mcu s GLN 186 Ca 0.15 0.39 -0.30 0.00 -2.00 0.00 0.00 55.36 53.60 3mcu s GLN 186 Cb -0.10 -3.60 -0.12 0.00 0.80 0.00 0.00 33.01 29.98 3mcu s GLN 186 CO 0.07 -0.23 1.47 -0.11 -0.50 0.00 0.00 175.29 175.99 3mcu n LEU 187 N 5.10 3.71 -4.38 3.68 7.94 -1.26 -5.02 117.00 126.77 3mcu n LEU 187 Ca -0.04 1.15 -0.28 0.00 -1.11 0.00 0.00 56.01 55.73 3mcu n LEU 187 Cb 0.50 -1.51 -0.13 0.00 0.53 0.00 0.00 43.42 42.82 3mcu n LEU 187 CO 0.41 -0.21 -0.55 -1.10 -1.11 0.00 0.00 177.39 174.83 3mcu s GLN 188 N -0.65 1.38 0.32 1.96 -1.52 -1.26 -3.85 119.66 116.04 3mcu s GLN 188 Ca 0.65 -1.35 -0.27 0.00 -1.95 0.00 0.00 55.36 52.43 3mcu s GLN 188 Cb -0.57 -1.81 -0.09 0.00 -0.22 0.00 0.00 33.01 30.31 3mcu s GLN 188 CO 0.51 0.42 1.08 -1.25 -0.25 0.00 0.00 175.29 175.80 3mcu s PRO 189 N -2.16 4.47 0.06 2.91 0.04 -1.26 -5.11 135.00 133.94 3mcu s PRO 189 Ca 0.14 1.69 0.21 0.00 0.04 0.00 0.00 61.00 63.09 3mcu s PRO 189 Cb -0.10 -2.95 -0.19 0.00 0.04 0.00 0.00 34.50 31.30 3mcu s PRO 189 CO 0.06 0.09 0.70 1.55 0.04 0.00 0.00 177.00 179.44 3mcu n VAL 190 N 0.73 0.44 -3.62 -0.36 3.14 -1.25 -4.69 118.33 112.71 3mcu n VAL 190 Ca 0.01 -0.56 -0.40 0.00 -2.96 0.00 0.00 64.34 60.43 3mcu n VAL 190 Cb 0.47 -0.23 -0.11 0.00 -1.06 0.00 0.00 33.84 32.90 3mcu n VAL 190 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3mcu s VAL 191 N -3.34 4.45 0.30 1.55 1.01 -1.26 -1.35 120.40 121.76 3mcu s VAL 191 Ca -0.05 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3mcu s VAL 191 Cb 0.11 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 3mcu s VAL 191 CO 0.85 -0.21 0.06 0.68 0.00 0.00 0.00 175.10 176.48 3mcu s VAL 192 N 1.53 0.98 -1.26 2.92 -7.23 -0.47 -4.96 120.40 111.92 3mcu s VAL 192 Ca 0.02 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.04 3mcu s VAL 192 Cb -0.19 -2.71 0.14 0.00 0.56 0.00 0.00 36.38 34.19 3mcu s VAL 192 CO 0.06 -0.03 1.62 -0.62 -0.31 0.00 0.00 175.10 175.82 3mcu n GLU 193 N -0.59 3.35 -0.41 4.82 1.02 -1.26 -3.81 120.64 123.76 3mcu n GLU 193 Ca -0.02 -3.61 0.33 0.00 -0.02 0.00 0.00 57.16 53.84 3mcu n GLU 193 Cb 0.66 -3.13 0.62 0.00 -0.02 0.00 0.00 31.44 29.57 3mcu n GLU 193 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3mcu h LYS 194 N 6.92 0.16 0.00 3.49 1.63 -1.82 -1.10 116.57 125.85 3mcu h LYS 194 Ca 0.37 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.15 3mcu h LYS 194 Cb 0.82 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.41 3mcu h LYS 194 CO 1.39 0.11 -0.08 0.27 -3.45 0.00 0.00 179.45 177.69 3mcu h PHE 195 N 0.17 0.00 -0.00 1.91 -5.15 -1.25 -1.02 116.94 111.60 3mcu h PHE 195 Ca 0.74 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.51 3mcu h PHE 195 Cb 2.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.45 3mcu h PHE 195 CO -0.00 0.08 -0.07 0.54 -2.00 0.00 0.00 178.31 176.85 3mcu n ARG 196 N -3.46 0.49 0.00 6.09 1.74 -0.42 -5.00 116.66 116.11 3mcu n ARG 196 Ca -0.02 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3mcu n ARG 196 Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3mcu n ARG 196 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77