#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 6.45 -4.67 2.46 -0.00 -1.26 -4.93 117.00 115.04 3mcu n LEU 3 Ca 0.00 -3.62 -0.43 0.00 -0.00 0.00 0.00 56.01 51.96 3mcu n LEU 3 Cb 0.00 -0.82 -0.02 0.00 -0.00 0.00 0.00 43.42 42.58 3mcu n LEU 3 CO 0.00 1.07 0.88 -1.59 -0.00 0.00 0.00 177.39 177.75 3mcu s LYS 4 N -3.29 4.32 0.00 1.47 -2.85 -1.24 -2.05 119.74 116.10 3mcu s LYS 4 Ca 0.56 1.40 0.00 0.00 -1.00 0.00 0.00 55.97 56.92 3mcu s LYS 4 Cb 0.47 -3.61 0.00 0.00 -2.06 0.00 0.00 37.83 32.63 3mcu s LYS 4 CO 0.10 -0.51 0.00 0.41 0.10 0.00 0.00 175.35 175.45 3mcu n GLY 5 N 3.25 0.72 3.80 0.59 0.00 -0.72 -4.92 105.19 107.92 3mcu n GLY 5 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.73 4.33 -0.36 1.61 -0.14 -1.11 -4.90 119.74 118.44 3mcu s LYS 6 Ca 0.00 0.91 -0.17 0.00 -1.36 0.00 0.00 55.97 55.35 3mcu s LYS 6 Cb 0.00 -3.14 -0.00 0.00 -1.68 0.00 0.00 37.83 33.01 3mcu s LYS 6 CO 0.00 0.55 0.46 0.50 -0.76 0.00 0.00 175.35 176.10 3mcu s ARG 7 N -1.39 3.51 -0.20 1.68 3.52 -1.26 -1.07 118.95 123.74 3mcu s ARG 7 Ca 0.35 -0.34 -0.01 0.00 -0.13 0.00 0.00 55.73 55.60 3mcu s ARG 7 Cb -0.20 -3.84 0.01 0.00 -1.56 0.00 0.00 34.95 29.36 3mcu s ARG 7 CO 0.22 -0.66 -0.12 0.42 -0.81 0.00 0.00 175.30 174.35 3mcu s ILE 8 N 2.26 2.71 0.41 4.11 -1.09 0.43 0.60 121.20 130.63 3mcu s ILE 8 Ca 0.16 -0.72 -0.20 0.00 -2.23 0.00 0.00 60.65 57.66 3mcu s ILE 8 Cb -0.16 -2.19 -0.11 0.00 -1.58 0.00 0.00 42.46 38.42 3mcu s ILE 8 CO 0.13 0.48 0.92 -0.83 -1.23 0.00 0.00 174.94 174.41 3mcu s GLY 9 N 1.36 2.39 -0.19 6.18 0.00 0.16 -1.42 107.32 115.81 3mcu s GLY 9 Ca 0.05 0.35 -0.05 0.00 0.00 0.00 0.00 44.72 45.07 3mcu s GLY 9 CO -0.08 0.62 0.10 -0.12 0.00 0.00 0.00 173.10 173.63 3mcu s PHE 10 N -2.14 0.17 -0.04 1.90 5.36 0.27 -0.42 117.98 123.07 3mcu s PHE 10 Ca 0.61 -0.34 -0.00 0.00 -0.96 0.00 0.00 56.93 56.23 3mcu s PHE 10 Cb -0.09 -0.69 -0.03 0.00 -0.34 0.00 0.00 43.02 41.86 3mcu s PHE 10 CO 0.14 -0.55 0.01 0.20 -1.46 0.00 0.00 175.22 173.55 3mcu s GLY 11 N 2.15 1.88 -0.11 13.12 0.00 0.22 -0.16 107.32 124.42 3mcu s GLY 11 Ca 0.03 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.90 3mcu s GLY 11 CO -0.12 -0.69 -0.15 -1.36 0.00 0.00 0.00 173.10 170.77 3mcu s PHE 12 N -0.99 2.73 0.12 1.90 0.40 -0.58 -2.08 117.98 119.48 3mcu s PHE 12 Ca 0.17 -0.60 0.05 0.00 -0.60 0.00 0.00 56.93 55.94 3mcu s PHE 12 Cb -0.11 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 3mcu s PHE 12 CO 0.07 -0.16 -0.13 0.95 0.70 0.00 0.00 175.22 176.65 3mcu s THR 13 N 0.11 1.23 0.00 0.64 -4.23 -1.22 -3.20 115.64 108.97 3mcu s THR 13 Ca -0.07 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3mcu s THR 13 Cb -0.15 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.16 3mcu s THR 13 CO 0.05 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 3mcu n GLY 14 N 0.45 0.98 3.27 3.99 0.00 -1.26 -4.60 105.19 108.01 3mcu n GLY 14 Ca -0.15 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 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 3.43 0.24 1.61 0.15 -1.26 -5.04 113.70 108.84 3mcu s SER 15 Ca 0.00 -0.48 -0.10 0.00 0.70 0.00 0.00 55.95 56.07 3mcu s SER 15 Cb 0.00 -1.49 0.35 0.00 -1.71 0.00 0.00 66.02 63.17 3mcu s SER 15 CO 0.00 0.15 1.42 1.41 1.20 0.00 0.00 173.24 177.42 3mcu n HIS 16 N 3.60 0.22 0.04 3.44 -0.00 -1.26 -2.03 115.22 119.23 3mcu n HIS 16 Ca -0.19 1.12 -0.12 0.00 -0.00 0.00 0.00 57.72 58.53 3mcu n HIS 16 Cb 0.53 -0.96 0.00 0.00 -0.00 0.00 0.00 29.99 29.56 3mcu n HIS 16 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3mcu n THR 18 N -3.85 0.00 -0.18 0.00 -2.24 -0.86 -3.00 114.28 104.14 3mcu n THR 18 Ca -0.05 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.78 3mcu n THR 18 Cb 0.72 -0.59 0.26 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.74 1.31 -0.11 4.78 4.01 -1.25 -4.42 117.16 120.74 3mcu n TYR 19 Ca 0.03 -0.46 -0.10 0.00 -0.16 0.00 0.00 57.90 57.22 3mcu n TYR 19 Cb 0.02 -0.34 -0.02 0.00 -0.31 0.00 0.00 39.34 38.68 3mcu n TYR 19 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3mcu h GLU 20 N 2.61 0.53 0.00 -0.72 5.08 -1.86 -3.18 114.58 117.05 3mcu h GLU 20 Ca 0.00 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3mcu h GLU 20 Cb 1.41 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 3mcu h GLU 20 CO 0.30 0.58 -0.17 1.05 -1.00 0.00 0.00 179.01 179.77 3mcu h GLU 21 N 0.39 0.00 -2.81 2.33 9.09 -1.91 -3.42 114.58 118.25 3mcu h GLU 21 Ca 0.11 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.91 3mcu h GLU 21 Cb 0.29 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.39 3mcu h GLU 21 CO 0.00 0.17 3.09 1.33 0.05 0.00 0.00 179.01 183.65 3mcu n VAL 22 N -3.72 4.21 0.00 -1.06 0.24 -1.20 -4.53 118.33 112.26 3mcu n VAL 22 Ca -0.02 -2.59 0.00 0.00 -2.04 0.00 0.00 64.34 59.69 3mcu n VAL 22 Cb 0.29 -2.47 0.00 0.00 -1.47 0.00 0.00 33.84 30.19 3mcu n VAL 22 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3mcu n PRO 24 N 3.22 0.00 0.05 7.34 -0.02 -1.26 -2.78 135.00 141.55 3mcu n PRO 24 Ca 0.72 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 3mcu n PRO 24 Cb 0.33 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.79 3mcu n PRO 24 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mcu h HIS 25 N 0.00 0.64 -0.53 6.00 3.86 -1.96 0.25 115.15 123.41 3mcu h HIS 25 Ca 0.00 -0.32 -0.12 0.00 -1.16 0.00 0.00 60.37 58.78 3mcu h HIS 25 Cb 0.00 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 3mcu h HIS 25 CO 0.00 1.11 -0.13 -0.07 0.86 0.00 0.00 177.93 179.71 3mcu h LEU 26 N 0.29 1.03 0.10 2.43 3.38 -1.92 -1.15 115.31 119.47 3mcu h LEU 26 Ca -0.06 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3mcu h LEU 26 Cb 1.46 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3mcu h LEU 26 CO 0.15 1.14 -0.16 -0.08 0.09 0.00 0.00 178.44 179.58 3mcu h GLU 27 N 0.90 -0.31 -0.10 1.13 4.57 -1.79 -1.46 114.58 117.52 3mcu h GLU 27 Ca 0.14 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3mcu h GLU 27 Cb 0.69 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 3mcu h GLU 27 CO 0.05 -0.20 0.05 0.87 -1.18 0.00 0.00 179.01 178.60 3mcu h LYS 28 N -0.32 0.10 -0.21 1.92 1.57 -0.44 0.10 116.57 119.30 3mcu h LYS 28 Ca 0.02 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3mcu h LYS 28 Cb 0.33 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3mcu h LYS 28 CO -0.08 0.07 -0.13 -0.07 -0.57 0.00 0.00 179.45 178.67 3mcu h LEU 29 N 0.11 -0.43 -0.72 2.94 3.38 -1.08 0.25 115.31 119.76 3mcu h LEU 29 Ca 0.04 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3mcu h LEU 29 Cb 0.01 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3mcu h LEU 29 CO -0.03 -0.17 -0.22 0.16 0.09 0.00 0.00 178.44 178.27 3mcu h ILE 30 N -0.12 1.27 -0.26 1.22 -0.00 -1.12 -2.18 117.51 116.31 3mcu h ILE 30 Ca 0.12 -1.32 -0.02 0.00 -0.00 0.00 0.00 64.86 63.64 3mcu h ILE 30 Cb 0.30 1.22 -0.01 0.00 -0.00 0.00 0.00 36.82 38.33 3mcu h ILE 30 CO -0.28 0.44 0.08 0.00 -0.00 0.00 0.00 178.15 178.39 3mcu h ALA 31 N 1.10 1.66 -0.01 0.16 0.00 -0.20 -2.36 119.26 119.62 3mcu h ALA 31 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mcu h ALA 31 Cb 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3mcu h ALA 31 CO 0.06 0.27 -0.03 -1.91 0.00 0.00 0.00 179.25 177.64 3mcu n GLU 32 N -4.41 1.32 0.00 0.00 4.07 0.83 -4.91 120.64 117.54 3mcu n GLU 32 Ca 0.01 -0.58 0.00 0.00 -0.06 0.00 0.00 57.16 56.52 3mcu n GLU 32 Cb 0.14 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 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 1.14 0.81 3.84 8.31 0.00 -0.89 -3.65 105.19 114.76 3mcu n GLY 33 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 3.39 -0.17 4.61 0.00 -0.87 -1.75 121.76 124.97 3mcu s ALA 34 Ca 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 3mcu s ALA 34 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 3mcu s ALA 34 CO 0.00 0.36 0.63 -2.00 0.00 0.00 0.00 175.76 174.74 3mcu s GLU 35 N -2.63 4.26 -0.14 0.00 2.12 -0.23 -4.26 118.70 117.82 3mcu s GLU 35 Ca 0.49 0.65 -0.03 0.00 0.36 0.00 0.00 54.97 56.45 3mcu s GLU 35 Cb -0.12 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.70 3mcu s GLU 35 CO 0.19 -0.15 -0.06 0.08 -0.54 0.00 0.00 175.26 174.78 3mcu s VAL 36 N 1.59 3.68 -0.31 3.70 1.01 -1.26 -0.43 120.40 128.38 3mcu s VAL 36 Ca 0.30 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3mcu s VAL 36 Cb -0.16 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.66 3mcu s VAL 36 CO 0.12 0.51 0.07 -0.13 0.00 0.00 0.00 175.10 175.66 3mcu s ARG 37 N 0.27 2.80 0.19 2.72 1.81 -0.51 -4.73 118.95 121.51 3mcu s ARG 37 Ca -0.05 -1.05 -0.30 0.00 -1.72 0.00 0.00 55.73 52.62 3mcu s ARG 37 Cb -0.14 -3.36 -0.08 0.00 -0.45 0.00 0.00 34.95 30.92 3mcu s ARG 37 CO 0.04 -0.55 0.97 -1.25 -0.68 0.00 0.00 175.30 173.82 3mcu s PRO 38 N 1.42 4.77 -0.09 3.54 0.04 -1.26 -0.56 135.00 142.85 3mcu s PRO 38 Ca -0.00 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.57 3mcu s PRO 38 Cb -0.18 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.06 3mcu s PRO 38 CO 0.02 0.36 -0.13 0.08 0.04 0.00 0.00 177.00 177.36 3mcu s VAL 39 N -0.68 1.26 0.01 -0.36 1.01 0.77 -1.74 120.40 120.67 3mcu s VAL 39 Ca 0.44 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.99 3mcu s VAL 39 Cb -0.26 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3mcu s VAL 39 CO 0.32 0.39 -0.25 0.68 0.00 0.00 0.00 175.10 176.24 3mcu s VAL 40 N 0.95 2.16 -2.08 2.92 -7.23 -0.49 -1.53 120.40 115.10 3mcu s VAL 40 Ca -0.09 -1.21 0.18 0.00 -1.81 0.00 0.00 61.98 59.06 3mcu s VAL 40 Cb -0.15 -1.79 0.48 0.00 0.56 0.00 0.00 36.38 35.48 3mcu s VAL 40 CO -0.00 0.49 1.63 -1.54 -0.31 0.00 0.00 175.10 175.36 3mcu n SER 41 N 2.13 0.48 -4.05 4.85 3.41 -1.19 -4.41 113.62 114.85 3mcu n SER 41 Ca -0.16 -1.54 -0.22 0.00 -0.26 0.00 0.00 58.87 56.69 3mcu n SER 41 Cb 0.51 -0.03 -0.16 0.00 -0.26 0.00 0.00 64.21 64.28 3mcu n SER 41 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3mcu s TYR 42 N -1.94 1.16 0.11 7.33 2.02 -1.26 -4.73 117.35 120.04 3mcu s TYR 42 Ca 0.28 -0.29 -0.23 0.00 -0.37 0.00 0.00 57.07 56.46 3mcu s TYR 42 Cb 0.13 -0.80 -0.06 0.00 -0.40 0.00 0.00 41.96 40.83 3mcu s TYR 42 CO 0.22 -0.10 1.39 1.15 -1.57 0.00 0.00 175.55 176.63 3mcu h THR 43 N 5.27 0.00 0.00 -0.71 2.02 -1.85 -3.47 112.91 114.17 3mcu h THR 43 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3mcu h THR 43 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3mcu h THR 43 CO 0.49 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.99 3mcu n GLY 54 N -1.21 0.88 3.55 2.16 0.00 -1.26 -5.12 105.19 104.19 3mcu n GLY 54 Ca 0.00 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 3mcu n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcu n ALA 55 N -1.00 0.79 0.02 4.61 0.00 -1.26 -4.82 120.51 118.85 3mcu n ALA 55 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 53.44 52.43 3mcu n ALA 55 Cb 0.00 -3.15 -0.09 0.00 0.00 0.00 0.00 19.45 16.21 3mcu n ALA 55 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3mcu h GLU 56 N 19.09 -0.12 -0.51 0.00 4.57 -2.00 -1.05 114.58 134.56 3mcu h GLU 56 Ca -0.23 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.00 3mcu h GLU 56 Cb 1.27 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.83 3mcu h GLU 56 CO 1.17 0.40 -0.30 -2.67 -1.18 0.00 0.00 179.01 176.42 3mcu n TRP 57 N -4.87 -0.23 0.03 0.92 4.27 -1.26 -0.74 117.44 115.56 3mcu n TRP 57 Ca -0.08 0.64 -0.07 0.00 -3.89 0.00 0.00 57.50 54.10 3mcu n TRP 57 Cb 0.28 -0.50 0.10 0.00 -1.36 0.00 0.00 31.31 29.83 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 1.33 -0.95 -1.67 2.04 -1.95 -2.35 117.51 113.95 3mcu h ILE 58 Ca 0.08 -1.74 0.28 0.00 1.00 0.00 0.00 64.86 64.48 3mcu h ILE 58 Cb 0.21 1.75 -0.14 0.00 -0.74 0.00 0.00 36.82 37.89 3mcu h ILE 58 CO -0.48 0.53 0.43 0.11 0.00 0.00 0.00 178.15 178.74 3mcu h LYS 59 N 0.36 0.28 0.14 2.37 1.79 0.45 -2.07 116.57 119.90 3mcu h LYS 59 Ca 0.01 -0.02 -0.32 0.00 -2.18 0.00 0.00 60.65 58.14 3mcu h LYS 59 Cb 1.01 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3mcu h LYS 59 CO 0.09 0.19 -1.63 -0.22 -1.08 0.00 0.00 179.45 176.80 3mcu h LYS 60 N 0.29 0.30 -0.99 3.15 3.64 -0.86 -3.37 116.57 118.75 3mcu h LYS 60 Ca 0.65 -0.52 0.19 0.00 -1.27 0.00 0.00 60.65 59.70 3mcu h LYS 60 Cb 1.41 0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 33.33 3mcu h LYS 60 CO -0.62 1.18 0.61 0.82 -2.27 0.00 0.00 179.45 179.18 3mcu h ILE 61 N 0.08 0.71 0.00 2.00 2.04 -0.85 0.66 117.51 122.15 3mcu h ILE 61 Ca -0.29 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 3mcu h ILE 61 Cb 2.05 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3mcu h ILE 61 CO 0.17 0.13 -0.18 -0.33 0.00 0.00 0.00 178.15 177.94 3mcu h GLU 62 N 0.70 0.00 0.63 2.37 5.08 -1.68 -3.13 114.58 118.55 3mcu h GLU 62 Ca 0.55 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.88 3mcu h GLU 62 Cb 0.94 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.20 3mcu h GLU 62 CO -0.33 0.18 -0.30 0.93 -1.00 0.00 0.00 179.01 178.49 3mcu h GLU 63 N 0.00 -0.82 -0.50 2.33 5.08 0.16 -3.37 114.58 117.46 3mcu h GLU 63 Ca -0.00 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3mcu h GLU 63 Cb 0.60 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.96 3mcu h GLU 63 CO 0.02 -0.55 -0.44 0.82 -1.00 0.00 0.00 179.01 177.87 3mcu h ILE 64 N -1.12 0.00 -2.40 3.13 2.04 -1.37 -3.40 117.51 114.39 3mcu h ILE 64 Ca -0.09 0.00 -0.47 0.00 1.00 0.00 0.00 64.86 65.30 3mcu h ILE 64 Cb 0.65 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3mcu h ILE 64 CO 0.14 0.00 -0.36 0.28 0.00 0.00 0.00 178.15 178.21 3mcu s THR 65 N -4.97 5.22 -0.99 -0.27 -1.32 -1.20 -5.02 115.64 107.09 3mcu s THR 65 Ca -0.10 -0.81 -0.03 0.00 -1.21 0.00 0.00 61.69 59.54 3mcu s THR 65 Cb 0.07 -3.85 0.21 0.00 -1.51 0.00 0.00 72.50 67.42 3mcu s THR 65 CO 0.47 -0.38 2.24 0.61 -2.21 0.00 0.00 174.62 175.34 3mcu n GLY 66 N -1.46 5.38 3.25 6.08 0.00 -1.26 -4.63 105.19 112.54 3mcu n GLY 66 Ca -0.08 -2.25 -0.13 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.71 -0.28 0.45 1.61 0.08 -1.26 -5.11 117.98 110.75 3mcu s PHE 67 Ca 0.50 0.59 -0.23 0.00 0.12 0.00 0.00 56.93 57.90 3mcu s PHE 67 Cb 0.27 0.12 -0.07 0.00 -0.57 0.00 0.00 43.02 42.76 3mcu s PHE 67 CO -0.18 -0.30 1.20 0.15 -0.10 0.00 0.00 175.22 175.98 3mcu s LYS 68 N -0.65 3.76 -0.14 0.44 3.01 -1.26 -4.65 119.74 120.25 3mcu s LYS 68 Ca -0.08 1.86 -0.29 0.00 -1.01 0.00 0.00 55.97 56.46 3mcu s LYS 68 Cb -0.04 -2.47 -0.02 0.00 -1.01 0.00 0.00 37.83 34.29 3mcu s LYS 68 CO 0.03 -0.57 1.37 0.00 0.51 0.00 0.00 175.35 176.69 3mcu s ALA 69 N -1.47 3.63 0.03 5.17 0.00 -1.26 -4.69 121.76 123.17 3mcu s ALA 69 Ca 0.63 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 3mcu s ALA 69 Cb -0.31 -3.66 -0.08 0.00 0.00 0.00 0.00 23.12 19.07 3mcu s ALA 69 CO 0.38 -1.27 1.71 0.42 0.00 0.00 0.00 175.76 177.00 3mcu s ILE 70 N 3.71 3.18 -0.01 0.00 1.01 -0.71 -4.85 121.20 123.52 3mcu s ILE 70 Ca 0.60 0.46 0.02 0.00 0.00 0.00 0.00 60.65 61.73 3mcu s ILE 70 Cb -0.25 -3.30 0.03 0.00 0.01 0.00 0.00 42.46 38.95 3mcu s ILE 70 CO 0.19 -0.02 0.78 -0.46 0.00 0.00 0.00 174.94 175.43 3mcu n ASN 71 N 6.36 0.83 -4.09 3.58 0.23 -1.26 -1.39 115.26 119.51 3mcu n ASN 71 Ca 0.17 -1.62 -0.10 0.00 -0.53 0.00 0.00 54.58 52.49 3mcu n ASN 71 Cb 0.41 -0.06 -0.11 0.00 -2.08 0.00 0.00 39.78 37.94 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 -0.69 0.79 0.21 0.53 1.04 -1.26 -4.03 113.70 110.29 3mcu s SER 72 Ca 0.03 -0.79 -0.10 0.00 0.48 0.00 0.00 55.95 55.57 3mcu s SER 72 Cb 0.02 0.10 0.20 0.00 0.10 0.00 0.00 66.02 66.44 3mcu s SER 72 CO 0.00 -0.39 1.85 0.40 0.98 0.00 0.00 173.24 176.08 3mcu h ILE 73 N 3.71 1.10 -0.05 -1.02 2.04 -1.90 -1.09 117.51 120.30 3mcu h ILE 73 Ca -0.35 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 3mcu h ILE 73 Cb 1.18 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3mcu h ILE 73 CO 0.54 0.16 -0.47 0.58 0.00 0.00 0.00 178.15 178.96 3mcu h VAL 74 N 0.88 1.34 0.00 1.67 2.07 -1.98 -1.87 116.25 118.36 3mcu h VAL 74 Ca 0.29 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3mcu h VAL 74 Cb 0.02 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3mcu h VAL 74 CO -0.11 0.48 0.00 1.23 0.02 0.00 0.00 177.57 179.19 3mcu h GLY 75 N 1.37 0.00 0.75 2.17 0.00 -1.79 -3.06 103.07 102.51 3mcu h GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mcu h GLY 75 CO 0.07 0.00 -1.21 0.00 0.00 0.00 0.00 176.54 175.40 3mcu n ALA 76 N -2.05 2.68 -0.18 3.60 0.00 -0.47 -4.43 120.51 119.67 3mcu n ALA 76 Ca 0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.08 3mcu n ALA 76 Cb 0.29 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.76 3mcu n ALA 76 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3mcu h GLU 77 N 0.00 0.62 0.00 0.00 5.08 -1.35 -2.60 114.58 116.34 3mcu h GLU 77 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3mcu h GLU 77 Cb 0.96 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3mcu h GLU 77 CO 0.00 0.41 0.16 -2.30 -1.00 0.00 0.00 179.01 176.28 3mcu n PRO 78 N -4.78 0.11 0.20 2.33 -0.02 -1.26 -1.37 135.00 130.21 3mcu n PRO 78 Ca 0.04 0.59 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 3mcu n PRO 78 Cb 0.07 -2.02 0.64 0.00 -0.02 0.00 0.00 33.50 32.17 3mcu n PRO 78 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3mcu h LEU 79 N 0.00 0.00 0.00 2.45 -0.00 -1.68 0.36 115.31 116.44 3mcu h LEU 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3mcu h LEU 79 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 3mcu h LEU 79 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 3mcu n GLY 80 N -0.35 -1.11 0.11 0.83 0.00 -0.47 -3.64 105.19 100.56 3mcu n GLY 80 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3mcu n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mcu n PRO 81 N -1.99 0.68 -0.09 1.61 -0.04 -1.20 -4.46 135.00 129.51 3mcu n PRO 81 Ca 0.00 0.22 -0.19 0.00 -0.04 0.00 0.00 63.50 63.50 3mcu n PRO 81 Cb 0.00 -1.69 -0.11 0.00 -0.04 0.00 0.00 33.50 31.65 3mcu n PRO 81 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3mcu h LYS 82 N 0.02 0.00 -2.12 0.54 1.79 -0.75 -3.42 116.57 112.63 3mcu h LYS 82 Ca -0.40 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.49 3mcu h LYS 82 Cb 2.04 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 32.29 3mcu h LYS 82 CO 0.06 0.93 -0.81 0.44 -1.08 0.00 0.00 179.45 178.98 3mcu n ILE 83 N -4.49 1.21 -1.92 1.86 -5.35 0.56 -5.01 119.36 106.22 3mcu n ILE 83 Ca -0.25 -4.80 -0.41 0.00 -0.27 0.00 0.00 62.75 57.02 3mcu n ILE 83 Cb 0.60 -1.89 -0.02 0.00 -1.74 0.00 0.00 39.64 36.59 3mcu n ILE 83 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3mcu s PRO 84 N -2.11 4.21 0.49 6.28 0.04 -1.24 -4.46 135.00 138.20 3mcu s PRO 84 Ca 0.39 2.42 -0.12 0.00 0.04 0.00 0.00 61.00 63.72 3mcu s PRO 84 Cb 0.18 -3.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.59 3mcu s PRO 84 CO -0.06 -0.48 0.89 -0.51 0.04 0.00 0.00 177.00 176.88 3mcu s LEU 85 N -0.74 3.64 0.15 -3.56 1.43 -1.26 -4.89 118.68 113.45 3mcu s LEU 85 Ca 0.59 1.32 0.18 0.00 -1.03 0.00 0.00 54.13 55.19 3mcu s LEU 85 Cb -0.44 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 3mcu s LEU 85 CO 0.48 -0.56 1.03 0.44 0.23 0.00 0.00 176.35 177.97 3mcu h ASP 86 N 0.79 0.00 -0.13 2.29 3.32 -0.22 -3.48 116.42 118.98 3mcu h ASP 86 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3mcu h ASP 86 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3mcu h ASP 86 CO 0.62 0.44 0.00 0.00 -1.72 0.00 0.00 179.24 178.58 3mcu s VAL 89 N -2.91 0.00 -0.19 0.00 1.01 0.43 -0.66 120.40 118.09 3mcu s VAL 89 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 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 0.25 1.54 -0.27 2.22 1.01 0.31 -0.61 121.20 125.66 3mcu s ILE 90 Ca 0.03 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 3mcu s ILE 90 Cb -0.05 -1.61 0.11 0.00 0.01 0.00 0.00 42.46 40.92 3mcu s ILE 90 CO -0.09 0.20 0.59 0.00 0.00 0.00 0.00 174.94 175.64 3mcu s ALA 91 N 1.45 -1.80 0.66 9.38 0.00 -0.88 -1.47 121.76 129.10 3mcu s ALA 91 Ca -0.00 2.14 -0.09 0.00 0.00 0.00 0.00 51.96 54.01 3mcu s ALA 91 Cb -0.16 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.36 3mcu s ALA 91 CO -0.08 -0.82 1.02 -1.25 0.00 0.00 0.00 175.76 174.62 3mcu s PRO 92 N 2.67 2.88 -0.39 0.00 0.04 -1.26 -4.59 135.00 134.34 3mcu s PRO 92 Ca -0.06 0.26 -0.06 0.00 0.04 0.00 0.00 61.00 61.19 3mcu s PRO 92 Cb -0.11 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.39 3mcu s PRO 92 CO -0.17 -0.90 0.19 -1.17 0.04 0.00 0.00 177.00 174.99 3mcu s LEU 93 N -5.21 4.95 0.95 -3.56 1.98 -0.21 -3.38 118.68 114.20 3mcu s LEU 93 Ca 0.56 -1.62 -0.12 0.00 -2.89 0.00 0.00 54.13 50.07 3mcu s LEU 93 Cb -0.11 -1.89 0.16 0.00 0.66 0.00 0.00 46.19 45.01 3mcu s LEU 93 CO 0.49 -0.49 1.09 0.42 -1.89 0.00 0.00 176.35 175.97 3mcu s THR 94 N 1.31 2.43 0.10 3.68 -4.23 -1.26 -2.25 115.64 115.42 3mcu s THR 94 Ca 0.03 0.14 -0.20 0.00 -1.18 0.00 0.00 61.69 60.48 3mcu s THR 94 Cb -0.22 -2.54 -0.08 0.00 1.34 0.00 0.00 72.50 71.00 3mcu s THR 94 CO -0.00 -0.18 1.66 1.23 -0.54 0.00 0.00 174.62 176.79 3mcu h GLY 95 N -1.77 0.31 0.13 3.99 0.00 -1.96 -2.97 103.07 100.80 3mcu h GLY 95 Ca -0.51 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 46.73 3mcu h GLY 95 CO 0.54 0.15 -0.19 -0.57 0.00 0.00 0.00 176.54 176.47 3mcu h ASN 96 N 0.19 -0.63 0.00 0.19 -1.24 -1.94 -1.17 115.58 110.98 3mcu h ASN 96 Ca 0.07 0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.22 3mcu h ASN 96 Cb 0.13 0.33 0.00 0.00 0.73 0.00 0.00 38.32 39.51 3mcu h ASN 96 CO -0.01 -0.22 0.00 -1.20 -1.29 0.00 0.00 177.43 174.71 3mcu n SER 97 N -5.36 1.48 0.00 1.15 7.64 -1.12 -1.73 113.62 115.69 3mcu n SER 97 Ca 0.01 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.87 3mcu n SER 97 Cb 0.27 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.07 0.00 -0.26 6.43 2.88 -0.44 -0.69 113.62 122.60 3mcu n SER 99 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3mcu n SER 99 Cb 0.20 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.76 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 1.13 -0.21 -1.46 1.57 -1.59 -2.30 116.57 113.70 3mcu h LYS 100 Ca 0.00 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 3mcu h LYS 100 Cb 0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3mcu h LYS 100 CO 0.00 0.92 0.07 0.35 -0.57 0.00 0.00 179.45 180.22 3mcu h PHE 101 N 1.10 0.33 0.00 -1.35 3.57 -1.18 -2.26 116.94 117.16 3mcu h PHE 101 Ca 0.25 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3mcu h PHE 101 Cb 0.21 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3mcu h PHE 101 CO 0.02 0.40 -0.00 0.00 -2.23 0.00 0.00 178.31 176.49 3mcu h ALA 102 N 0.90 1.55 -0.02 2.41 0.00 -1.76 -2.48 119.26 119.86 3mcu h ALA 102 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mcu h ALA 102 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3mcu h ALA 102 CO -0.00 0.01 -0.21 0.09 0.00 0.00 0.00 179.25 179.13 3mcu n ASN 103 N -3.89 2.07 -1.73 0.00 4.13 -0.88 -4.98 115.26 109.98 3mcu n ASN 103 Ca -0.03 -1.56 -0.00 0.00 1.68 0.00 0.00 54.58 54.67 3mcu n ASN 103 Cb 0.09 0.19 -0.00 0.00 -1.54 0.00 0.00 39.78 38.51 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 0.33 -3.10 0.00 5.41 0.00 -0.88 -5.07 120.51 117.19 3mcu n ALA 104 Ca 0.13 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3mcu n ALA 104 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 0.17 0.00 0.34 0.00 -2.24 -1.26 -5.05 114.28 106.24 3mcu n THR 106 Ca -0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.70 3mcu n THR 106 Cb 0.02 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.00 3.44 -3.81 3.42 5.68 -1.26 -4.78 116.55 119.24 3mcu n ASP 107 Ca 0.00 -2.43 -0.12 0.00 -0.50 0.00 0.00 54.79 51.74 3mcu n ASP 107 Cb 0.00 -0.63 -0.09 0.00 -1.14 0.00 0.00 41.12 39.26 3mcu n ASP 107 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3mcu s SER 108 N 0.49 -0.07 0.34 -1.12 1.04 -1.26 -5.04 113.70 108.08 3mcu s SER 108 Ca 0.14 -0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.50 3mcu s SER 108 Cb 0.12 0.28 0.70 0.00 0.10 0.00 0.00 66.02 67.22 3mcu s SER 108 CO 0.02 -0.46 1.91 -0.65 0.98 0.00 0.00 173.24 175.05 3mcu h PRO 109 N 3.84 0.79 -0.56 4.02 0.11 -1.82 -2.33 132.00 136.05 3mcu h PRO 109 Ca -0.31 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.65 3mcu h PRO 109 Cb 1.19 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3mcu h PRO 109 CO 0.42 0.52 -0.05 0.28 -0.21 0.00 0.00 178.00 178.97 3mcu h VAL 110 N 0.82 1.26 0.00 3.15 2.07 -1.88 -1.30 116.25 120.37 3mcu h VAL 110 Ca 0.38 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3mcu h VAL 110 Cb 0.40 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3mcu h VAL 110 CO -0.15 0.42 0.00 0.18 0.02 0.00 0.00 177.57 178.04 3mcu n LEU 111 N -4.17 1.43 0.00 2.57 4.77 -0.88 -1.69 117.00 119.04 3mcu n LEU 111 Ca 0.02 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 3mcu n LEU 111 Cb 0.37 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3mcu n LEU 111 CO 0.44 0.25 0.00 0.00 -1.33 0.00 0.00 177.39 176.75 3mcu n ALA 113 N 0.64 0.00 0.21 -1.18 0.00 -0.49 -0.74 120.51 118.95 3mcu n ALA 113 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3mcu n ALA 113 Cb 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.50 -0.78 0.00 0.00 -1.59 -2.21 119.26 114.19 3mcu h ALA 114 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3mcu h ALA 114 Cb 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3mcu h ALA 114 CO 0.00 -0.79 0.46 -0.22 0.00 0.00 0.00 179.25 178.71 3mcu h LYS 115 N -0.50 0.82 0.00 0.00 3.64 -1.22 -0.13 116.57 119.18 3mcu h LYS 115 Ca -0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3mcu h LYS 115 Cb 0.41 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3mcu h LYS 115 CO 0.05 0.55 -0.06 0.00 -2.27 0.00 0.00 179.45 177.72 3mcu h ALA 116 N 1.38 1.35 0.10 5.00 0.00 -1.78 0.14 119.26 125.45 3mcu h ALA 116 Ca 0.34 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 3mcu h ALA 116 Cb 0.18 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3mcu h ALA 116 CO -0.18 0.07 -0.93 1.15 0.00 0.00 0.00 179.25 179.37 3mcu h THR 117 N 0.00 1.35 0.00 0.00 2.02 -0.43 -3.29 112.91 112.56 3mcu h THR 117 Ca -0.00 -2.44 -0.04 0.00 0.77 0.00 0.00 66.41 64.70 3mcu h THR 117 Cb 0.18 3.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 3mcu h THR 117 CO 0.01 0.67 -0.21 -0.07 0.37 0.00 0.00 175.52 176.29 3mcu h LEU 118 N -0.48 0.00 -0.99 2.58 3.38 -0.98 -1.99 115.31 116.83 3mcu h LEU 118 Ca -0.19 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.02 3mcu h LEU 118 Cb 1.57 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.19 3mcu h LEU 118 CO 0.07 0.21 0.57 -0.09 0.09 0.00 0.00 178.44 179.29 3mcu h ARG 119 N 0.00 0.55 -0.44 1.13 2.43 -1.03 0.18 114.38 117.20 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 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3mcu h ARG 119 CO 0.03 0.36 0.00 0.09 -1.51 0.00 0.00 179.97 178.94 3mcu n ASN 120 N -4.90 2.70 -1.99 -3.80 3.02 -0.80 -4.91 115.26 104.58 3mcu n ASN 120 Ca 0.26 -1.95 -0.16 0.00 -0.03 0.00 0.00 54.58 52.70 3mcu n ASN 120 Cb 0.73 -0.29 0.01 0.00 -0.61 0.00 0.00 39.78 39.61 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 1.32 -0.23 3.79 7.41 0.00 0.05 -5.02 105.19 112.52 3mcu n GLY 121 Ca 0.18 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.06 2.86 0.29 1.61 -0.14 -0.92 -4.98 119.74 113.40 3mcu s LYS 122 Ca 0.11 -0.93 -0.29 0.00 -1.36 0.00 0.00 55.97 53.49 3mcu s LYS 122 Cb -0.05 -2.60 -0.10 0.00 -1.68 0.00 0.00 37.83 33.41 3mcu s LYS 122 CO 0.13 0.46 1.19 -1.25 -0.76 0.00 0.00 175.35 175.12 3mcu s PRO 123 N -3.24 4.52 -0.14 -1.68 0.04 -1.26 -4.13 135.00 129.12 3mcu s PRO 123 Ca 0.31 1.97 0.00 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 31.28 3mcu s PRO 123 CO 0.23 0.03 -0.14 0.08 0.04 0.00 0.00 177.00 177.24 3mcu s VAL 124 N -1.03 2.93 -0.20 -0.36 1.01 -0.58 -4.33 120.40 117.84 3mcu s VAL 124 Ca 0.47 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 3mcu s VAL 124 Cb -0.35 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3mcu s VAL 124 CO 0.45 0.52 -0.00 -0.69 0.00 0.00 0.00 175.10 175.38 3mcu s VAL 125 N 0.48 3.96 -0.09 2.92 1.01 -1.26 -1.15 120.40 126.26 3mcu s VAL 125 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3mcu s VAL 125 Cb -0.16 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3mcu s VAL 125 CO 0.04 0.43 -0.09 -0.76 0.00 0.00 0.00 175.10 174.73 3mcu s LEU 126 N 0.95 3.01 -0.42 3.92 1.43 -0.03 -0.53 118.68 127.02 3mcu s LEU 126 Ca 0.01 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3mcu s LEU 126 Cb -0.14 -1.67 0.11 0.00 0.03 0.00 0.00 46.19 44.52 3mcu s LEU 126 CO 0.02 0.28 0.21 0.00 0.23 0.00 0.00 176.35 177.09 3mcu s ALA 127 N -0.34 3.17 0.52 4.21 0.00 -0.54 -1.14 121.76 127.63 3mcu s ALA 127 Ca 0.04 -2.62 -0.20 0.00 0.00 0.00 0.00 51.96 49.19 3mcu s ALA 127 Cb -0.12 -2.39 -0.07 0.00 0.00 0.00 0.00 23.12 20.53 3mcu s ALA 127 CO 0.02 -1.82 1.08 0.14 0.00 0.00 0.00 175.76 175.18 3mcu s VAL 128 N 0.99 3.50 -0.38 0.00 -7.23 -1.26 -1.04 120.40 114.98 3mcu s VAL 128 Ca 0.09 0.92 0.04 0.00 -1.81 0.00 0.00 61.98 61.22 3mcu s VAL 128 Cb -0.22 -3.37 0.18 0.00 0.56 0.00 0.00 36.38 33.53 3mcu s VAL 128 CO -0.04 -0.22 0.72 -0.55 -0.31 0.00 0.00 175.10 174.69 3mcu s SER 129 N -1.94 -1.29 -0.18 4.85 0.15 -0.95 -0.45 113.70 113.89 3mcu s SER 129 Ca 0.69 -0.56 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 3mcu s SER 129 Cb -0.20 1.66 0.05 0.00 -1.71 0.00 0.00 66.02 65.82 3mcu s SER 129 CO 0.24 -0.15 0.48 0.28 1.20 0.00 0.00 173.24 175.29 3mcu s THR 130 N 1.98 0.00 -2.09 6.45 -1.32 -1.26 -3.85 115.64 115.55 3mcu s THR 130 Ca 0.15 -0.01 0.30 0.00 -1.21 0.00 0.00 61.69 60.92 3mcu s THR 130 Cb -0.03 -0.67 0.80 0.00 -1.51 0.00 0.00 72.50 71.08 3mcu s THR 130 CO -0.10 -0.00 2.07 -0.46 -2.21 0.00 0.00 174.62 173.91 3mcu n ASN 131 N 2.78 0.30 -0.24 8.08 0.23 -1.26 -3.25 115.26 121.89 3mcu n ASN 131 Ca -0.13 -1.15 0.09 0.00 -0.53 0.00 0.00 54.58 52.86 3mcu n ASN 131 Cb 0.57 -0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.42 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 -0.74 2.66 -0.08 0.53 5.75 -1.24 -3.32 116.55 120.10 3mcu n ASP 132 Ca 0.22 -3.04 0.14 0.00 -0.01 0.00 0.00 54.79 52.10 3mcu n ASP 132 Cb 0.15 -0.44 0.53 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.39 2.11 -0.60 2.12 0.00 -1.07 0.11 119.26 122.32 3mcu h ALA 133 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mcu h ALA 133 Cb 1.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3mcu h ALA 133 CO 0.05 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.31 3mcu n LEU 134 N -4.46 4.12 0.00 0.00 4.77 -0.25 -2.47 117.00 118.71 3mcu n LEU 134 Ca 0.11 -2.25 0.00 0.00 -0.03 0.00 0.00 56.01 53.84 3mcu n LEU 134 Cb 0.44 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3mcu n LEU 134 CO 0.34 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3mcu n GLY 135 N 1.10 1.23 0.30 -0.72 0.00 0.34 -4.88 105.19 102.56 3mcu n GLY 135 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.04 0.99 3.38 -1.89 -1.80 115.31 115.95 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 0.00 -0.07 0.59 0.09 0.00 0.00 178.44 179.05 3mcu n ASN 137 N -4.26 0.14 -0.20 -0.43 3.02 -0.99 -4.08 115.26 108.46 3mcu n ASN 137 Ca -0.01 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3mcu n ASN 137 Cb 0.20 -0.27 0.10 0.00 -0.61 0.00 0.00 39.78 39.20 3mcu n ASN 137 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3mcu h GLY 138 N 4.99 0.82 1.07 7.41 0.00 -0.99 -1.02 103.07 115.35 3mcu h GLY 138 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3mcu h GLY 138 CO 0.00 -0.03 0.10 -0.39 0.00 0.00 0.00 176.54 176.22 3mcu h VAL 139 N 0.38 1.26 -0.55 4.60 -1.51 -1.79 -2.96 116.25 115.68 3mcu h VAL 139 Ca 0.30 -1.05 -0.03 0.00 -1.23 0.00 0.00 66.70 64.69 3mcu h VAL 139 Cb 0.38 0.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.16 3mcu h VAL 139 CO -0.31 0.39 0.22 0.78 -1.23 0.00 0.00 177.57 177.42 3mcu h ASN 140 N 1.03 0.75 0.00 4.19 2.35 -1.65 -0.42 115.58 121.83 3mcu h ASN 140 Ca 0.20 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3mcu h ASN 140 Cb 0.45 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3mcu h ASN 140 CO 0.01 0.71 0.00 -0.11 -1.65 0.00 0.00 177.43 176.40 3mcu n LEU 141 N -4.51 0.00 0.00 1.61 0.00 -0.44 -1.82 117.00 111.83 3mcu n LEU 141 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.04 3mcu n LEU 141 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.58 3mcu n LEU 141 CO 0.38 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.63 3mcu n ARG 143 N -0.12 0.00 -0.00 1.96 0.63 -0.17 -4.70 116.66 114.26 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 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 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 0.16 0.00 6.15 4.77 -0.76 -2.28 117.00 125.04 3mcu n LEU 144 Ca 0.00 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3mcu n LEU 144 Cb 0.00 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3mcu n LEU 144 CO 0.00 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.09 3mcu n ALA 146 N 1.10 0.00 -2.06 -1.18 0.00 -1.26 -4.75 120.51 112.36 3mcu n ALA 146 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3mcu n ALA 146 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 4.46 0.17 0.00 2.01 -0.97 -5.01 115.64 116.31 3mcu s THR 147 Ca 0.00 1.58 -0.33 0.00 0.31 0.00 0.00 61.69 63.25 3mcu s THR 147 Cb 0.00 -4.08 -0.16 0.00 0.01 0.00 0.00 72.50 68.28 3mcu s THR 147 CO 0.00 0.53 1.20 0.29 -0.69 0.00 0.00 174.62 175.95 3mcu n LYS 148 N 1.63 1.24 -1.22 4.92 5.02 -1.26 -2.53 118.16 125.97 3mcu n LYS 148 Ca -0.07 0.44 -0.07 0.00 -2.02 0.00 0.00 58.31 56.59 3mcu n LYS 148 Cb 0.49 -1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 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 2.08 -4.20 -4.24 4.39 3.02 -1.26 -5.01 115.26 110.04 3mcu n ASN 149 Ca 0.15 0.19 -0.31 0.00 -0.03 0.00 0.00 54.58 54.58 3mcu n ASN 149 Cb 0.25 -2.36 -0.17 0.00 -0.61 0.00 0.00 39.78 36.89 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 -2.18 1.96 0.09 2.41 1.01 -1.05 -1.53 121.20 121.91 3mcu s ILE 150 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.67 3mcu s ILE 150 Cb 0.00 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 3mcu s ILE 150 CO 0.00 0.54 -0.08 -0.31 0.00 0.00 0.00 174.94 175.09 3mcu s TYR 151 N -0.02 0.94 -0.04 3.97 2.02 -0.30 -4.85 117.35 119.07 3mcu s TYR 151 Ca -0.07 -0.72 0.06 0.00 -0.37 0.00 0.00 57.07 55.97 3mcu s TYR 151 Cb -0.14 -0.53 -0.01 0.00 -0.40 0.00 0.00 41.96 40.88 3mcu s TYR 151 CO 0.05 -0.06 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.69 3mcu s PHE 152 N -2.70 2.03 0.17 2.71 0.40 -1.26 -0.85 117.98 118.48 3mcu s PHE 152 Ca 0.05 -0.52 -0.32 0.00 -0.60 0.00 0.00 56.93 55.55 3mcu s PHE 152 Cb -0.01 -1.33 -0.10 0.00 0.51 0.00 0.00 43.02 42.09 3mcu s PHE 152 CO -0.02 -0.13 1.59 0.08 0.70 0.00 0.00 175.22 177.44 3mcu s VAL 153 N -0.23 2.54 0.22 -0.44 1.01 -0.30 -4.67 120.40 118.53 3mcu s VAL 153 Ca 0.01 0.39 -0.31 0.00 0.00 0.00 0.00 61.98 62.07 3mcu s VAL 153 Cb -0.11 -3.25 -0.15 0.00 0.00 0.00 0.00 36.38 32.87 3mcu s VAL 153 CO 0.01 0.03 1.04 -2.65 0.00 0.00 0.00 175.10 173.54 3mcu n PRO 154 N 3.97 1.12 -4.04 2.72 -0.02 -1.26 -4.68 135.00 132.81 3mcu n PRO 154 Ca 0.14 0.40 -0.08 0.00 -2.02 0.00 0.00 63.50 61.93 3mcu n PRO 154 Cb 0.38 -1.80 -0.09 0.00 -0.02 0.00 0.00 33.50 31.97 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 -0.60 0.52 0.07 6.00 -0.12 -0.45 -0.42 117.98 122.97 3mcu s PHE 155 Ca 0.67 -0.97 -0.10 0.00 -0.05 0.00 0.00 56.93 56.48 3mcu s PHE 155 Cb -0.80 -0.30 0.03 0.00 -0.63 0.00 0.00 43.02 41.32 3mcu s PHE 155 CO 0.56 -0.50 0.45 0.41 -0.05 0.00 0.00 175.22 176.09 3mcu n GLY 156 N -0.03 0.93 3.74 1.99 0.00 -0.98 -1.44 105.19 109.41 3mcu n GLY 156 Ca -0.11 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.02 4.45 0.00 1.61 -0.21 -1.26 -1.07 119.66 121.16 3mcu s GLN 157 Ca 0.10 1.98 0.17 0.00 0.02 0.00 0.00 55.36 57.63 3mcu s GLN 157 Cb -0.01 -3.20 -0.11 0.00 1.00 0.00 0.00 33.01 30.69 3mcu s GLN 157 CO 0.02 -0.14 0.78 -0.40 -2.12 0.00 0.00 175.29 173.43 3mcu n ASP 158 N 2.24 1.13 -2.71 5.90 3.85 -1.25 -0.78 116.55 124.93 3mcu n ASP 158 Ca 0.04 -1.06 -0.06 0.00 -0.71 0.00 0.00 54.79 53.00 3mcu n ASP 158 Cb 0.44 0.80 0.05 0.00 -1.35 0.00 0.00 41.12 41.06 3mcu n ASP 158 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3mcu n ALA 159 N -0.91 -2.46 0.31 2.12 0.00 -1.26 -4.65 120.51 113.66 3mcu n ALA 159 Ca 0.05 -0.84 0.19 0.00 0.00 0.00 0.00 53.44 52.84 3mcu n ALA 159 Cb 0.30 -2.22 1.04 0.00 0.00 0.00 0.00 19.45 18.56 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 3.80 0.00 0.00 0.00 0.11 -1.87 0.29 132.00 134.33 3mcu h PRO 160 Ca -0.15 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.63 3mcu h PRO 160 Cb 1.11 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 3mcu h PRO 160 CO 0.07 0.00 -1.79 0.39 -0.21 0.00 0.00 178.00 176.46 3mcu n GLU 161 N -3.33 0.57 0.11 1.05 1.02 -1.26 -4.02 120.64 114.80 3mcu n GLU 161 Ca -0.02 0.45 -0.01 0.00 -0.02 0.00 0.00 57.16 57.55 3mcu n GLU 161 Cb 0.16 -1.64 0.02 0.00 -0.02 0.00 0.00 31.44 29.96 3mcu n GLU 161 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3mcu h LYS 162 N -1.00 0.00 -1.89 3.49 1.57 -1.92 -3.39 116.57 113.43 3mcu h LYS 162 Ca -0.49 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.77 3mcu h LYS 162 Cb 1.43 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.39 3mcu h LYS 162 CO -0.30 0.69 -0.96 1.63 -0.57 0.00 0.00 179.45 179.94 3mcu n LYS 163 N -3.36 0.51 0.16 3.15 5.02 0.98 -5.03 118.16 119.59 3mcu n LYS 163 Ca 0.01 -2.99 0.17 0.00 -2.02 0.00 0.00 58.31 53.47 3mcu n LYS 163 Cb 0.78 -1.42 0.77 0.00 -0.02 0.00 0.00 35.03 35.13 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 4.68 0.00 -0.70 1.97 0.11 -1.69 -0.89 132.00 135.48 3mcu h PRO 164 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3mcu h PRO 164 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3mcu h PRO 164 CO 0.38 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.26 3mcu n ASN 165 N -4.04 3.86 -4.17 -2.05 3.02 -1.26 -4.89 115.26 105.73 3mcu n ASN 165 Ca 0.03 -2.00 -0.26 0.00 -0.03 0.00 0.00 54.58 52.31 3mcu n ASN 165 Cb 0.37 -0.47 0.17 0.00 -0.61 0.00 0.00 39.78 39.24 3mcu n ASN 165 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3mcu n SER 166 N 1.53 0.65 0.00 6.41 2.88 -0.34 -1.05 113.62 123.70 3mcu n SER 166 Ca 0.23 -1.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.01 3mcu n SER 166 Cb 0.60 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 3mcu n SER 166 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3mcu n VAL 168 N -3.40 0.00 -2.46 2.46 0.31 -0.23 -3.78 118.33 111.24 3mcu n VAL 168 Ca 0.16 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.15 3mcu n VAL 168 Cb 0.58 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.49 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 -1.47 2.82 0.91 3.52 0.00 0.40 -2.31 121.76 125.63 3mcu s ALA 169 Ca 0.00 0.68 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 3mcu s ALA 169 Cb 0.00 -3.29 0.14 0.00 0.00 0.00 0.00 23.12 19.97 3mcu s ALA 169 CO 0.00 -0.46 1.17 1.03 0.00 0.00 0.00 175.76 177.51 3mcu s ARG 170 N -3.25 1.13 0.00 0.00 1.81 0.44 -4.96 118.95 114.13 3mcu s ARG 170 Ca 0.69 0.11 0.00 0.00 -1.72 0.00 0.00 55.73 54.81 3mcu s ARG 170 Cb -0.19 -1.85 0.00 0.00 -0.45 0.00 0.00 34.95 32.46 3mcu s ARG 170 CO 0.22 -2.17 0.00 -0.85 -0.68 0.00 0.00 175.30 171.82 3mcu n GLU 172 N -3.71 0.00 -0.17 3.54 0.00 -1.26 -3.96 120.64 115.08 3mcu n GLU 172 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.34 3mcu n GLU 172 Cb 0.60 -0.61 0.18 0.00 0.00 0.00 0.00 31.44 31.61 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 3.17 -0.21 -1.84 4.77 -1.26 -4.60 117.00 117.03 3mcu n LEU 173 Ca 0.00 -1.57 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 3mcu n LEU 173 Cb 0.00 -0.23 0.11 0.00 -2.33 0.00 0.00 43.42 40.98 3mcu n LEU 173 CO 0.00 0.71 0.99 0.25 -1.33 0.00 0.00 177.39 178.01 3mcu h LEU 174 N 3.60 0.25 -0.11 2.23 5.85 -1.99 -1.18 115.31 123.96 3mcu h LEU 174 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3mcu h LEU 174 Cb 0.86 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 3mcu h LEU 174 CO 0.00 0.14 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.90 3mcu h GLU 175 N 0.43 0.21 -0.78 1.25 3.07 -1.96 -0.24 114.58 116.55 3mcu h GLU 175 Ca 0.31 -0.08 0.15 0.00 -0.50 0.00 0.00 59.36 59.25 3mcu h GLU 175 Cb 0.39 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.23 3mcu h GLU 175 CO -0.31 0.50 0.52 -0.44 -1.40 0.00 0.00 179.01 177.88 3mcu h ASP 176 N -0.10 0.43 -0.11 1.42 3.45 -1.84 -0.76 116.42 118.91 3mcu h ASP 176 Ca 0.03 0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.42 3mcu h ASP 176 Cb 0.41 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3mcu h ASP 176 CO 0.01 0.22 -0.30 0.74 -1.57 0.00 0.00 179.24 178.34 3mcu h THR 177 N 0.46 1.39 -0.25 0.35 2.02 -0.46 -2.77 112.91 113.64 3mcu h THR 177 Ca 0.38 -1.61 0.03 0.00 0.77 0.00 0.00 66.41 65.98 3mcu h THR 177 Cb 0.84 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 3mcu h THR 177 CO -0.13 0.47 0.06 0.58 0.37 0.00 0.00 175.52 176.87 3mcu h VAL 178 N -0.04 0.89 -0.54 3.16 2.07 -0.61 0.14 116.25 121.32 3mcu h VAL 178 Ca -0.01 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.56 3mcu h VAL 178 Cb 0.91 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 3mcu h VAL 178 CO 0.06 0.03 0.07 -0.07 0.02 0.00 0.00 177.57 177.69 3mcu h LEU 179 N 0.16 -0.08 -0.55 2.57 3.38 -1.20 0.44 115.31 120.04 3mcu h LEU 179 Ca 0.12 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 3mcu h LEU 179 Cb 0.11 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3mcu h LEU 179 CO -0.15 -0.02 -0.07 -0.33 0.09 0.00 0.00 178.44 177.97 3mcu h GLU 180 N 0.20 1.02 -0.30 1.13 4.39 -1.22 -3.06 114.58 116.74 3mcu h GLU 180 Ca 0.28 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 3mcu h GLU 180 Cb 0.41 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3mcu h GLU 180 CO -0.39 1.05 -0.07 0.00 -1.16 0.00 0.00 179.01 178.44 3mcu h ALA 181 N 0.94 1.32 -0.00 3.43 0.00 -0.07 -0.18 119.26 124.70 3mcu h ALA 181 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3mcu h ALA 181 Cb 0.63 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3mcu h ALA 181 CO 0.04 0.46 0.01 -0.07 0.00 0.00 0.00 179.25 179.69 3mcu h LEU 182 N 0.46 0.00 -2.55 0.00 3.38 -0.84 0.14 115.31 115.90 3mcu h LEU 182 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mcu h LEU 182 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3mcu h LEU 182 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3mcu n GLN 183 N -3.57 2.65 -2.84 1.13 6.02 -0.20 -4.95 117.38 115.61 3mcu n GLN 183 Ca -0.03 -2.49 -0.13 0.00 -0.01 0.00 0.00 57.00 54.35 3mcu n GLN 183 Cb 0.08 -1.55 0.03 0.00 1.02 0.00 0.00 30.24 29.82 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 1.57 0.06 3.05 1.08 0.00 0.50 -5.04 105.19 106.41 3mcu n GLY 184 Ca 0.23 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.38 0.59 -0.13 1.61 1.02 -0.48 -4.99 119.74 111.97 3mcu s LYS 185 Ca 0.23 -0.57 -0.20 0.00 0.02 0.00 0.00 55.97 55.44 3mcu s LYS 185 Cb -0.10 -0.49 -0.04 0.00 -0.52 0.00 0.00 37.83 36.69 3mcu s LYS 185 CO 0.28 0.11 0.57 -1.14 -0.92 0.00 0.00 175.35 174.26 3mcu s GLN 186 N -1.01 4.33 0.25 1.68 2.00 -1.26 -2.73 119.66 122.93 3mcu s GLN 186 Ca -0.03 0.59 -0.30 0.00 -2.00 0.00 0.00 55.36 53.62 3mcu s GLN 186 Cb -0.07 -3.48 -0.10 0.00 0.80 0.00 0.00 33.01 30.16 3mcu s GLN 186 CO 0.00 0.02 1.41 -1.17 -0.50 0.00 0.00 175.29 175.05 3mcu s LEU 187 N 1.02 4.39 0.10 3.68 2.96 -1.26 -5.00 118.68 124.58 3mcu s LEU 187 Ca 0.29 2.64 0.10 0.00 -0.22 0.00 0.00 54.13 56.94 3mcu s LEU 187 Cb -0.16 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 3mcu s LEU 187 CO 0.12 -0.66 -0.26 -1.10 -1.32 0.00 0.00 176.35 173.14 3mcu s GLN 188 N -0.54 1.45 0.28 1.98 -1.52 -1.26 -3.37 119.66 116.68 3mcu s GLN 188 Ca 0.58 -1.24 -0.29 0.00 -1.95 0.00 0.00 55.36 52.45 3mcu s GLN 188 Cb -0.41 -1.81 -0.10 0.00 -0.22 0.00 0.00 33.01 30.47 3mcu s GLN 188 CO 0.44 0.44 1.09 -1.25 -0.25 0.00 0.00 175.29 175.76 3mcu s PRO 189 N -1.80 4.65 0.22 2.91 0.04 -1.26 -5.11 135.00 134.65 3mcu s PRO 189 Ca 0.12 1.79 0.22 0.00 0.04 0.00 0.00 61.00 63.17 3mcu s PRO 189 Cb -0.10 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.28 3mcu s PRO 189 CO 0.05 0.22 1.10 -0.24 0.04 0.00 0.00 177.00 178.17 3mcu h VAL 190 N 3.10 0.06 -3.59 -0.36 3.04 -1.94 -3.44 116.25 113.11 3mcu h VAL 190 Ca -0.47 -1.11 -0.67 0.00 -1.01 0.00 0.00 66.70 63.45 3mcu h VAL 190 Cb 1.21 1.62 -0.25 0.00 -2.01 0.00 0.00 31.29 31.86 3mcu h VAL 190 CO 0.67 0.03 -0.63 -0.69 -1.01 0.00 0.00 177.57 175.94 3mcu s VAL 191 N -3.30 4.02 0.10 1.51 1.01 -1.26 -1.34 120.40 121.13 3mcu s VAL 191 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3mcu s VAL 191 Cb 0.09 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3mcu s VAL 191 CO 0.78 0.18 -0.07 0.68 0.00 0.00 0.00 175.10 176.66 3mcu s VAL 192 N 1.53 0.73 -1.17 2.92 -7.23 -0.52 -4.96 120.40 111.71 3mcu s VAL 192 Ca 0.04 -1.83 -0.21 0.00 -1.81 0.00 0.00 61.98 58.17 3mcu s VAL 192 Cb -0.16 -1.56 0.05 0.00 0.56 0.00 0.00 36.38 35.27 3mcu s VAL 192 CO 0.02 -0.79 1.66 -1.61 -0.31 0.00 0.00 175.10 174.07 3mcu s GLU 193 N -3.51 3.66 0.43 4.82 2.02 -1.26 -3.63 118.70 121.24 3mcu s GLU 193 Ca 0.09 -1.53 0.11 0.00 0.02 0.00 0.00 54.97 53.66 3mcu s GLU 193 Cb 0.03 -5.43 0.97 0.00 0.10 0.00 0.00 34.13 29.80 3mcu s GLU 193 CO -0.03 -2.42 2.04 -0.22 0.02 0.00 0.00 175.26 174.65 3mcu h LYS 194 N 8.74 0.43 0.00 1.61 1.63 -1.82 -3.04 116.57 124.12 3mcu h LYS 194 Ca 0.32 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 3mcu h LYS 194 Cb 0.93 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 3mcu h LYS 194 CO 1.42 0.28 0.00 0.27 -3.45 0.00 0.00 179.45 177.97 3mcu h PHE 195 N 0.44 0.00 -0.65 1.91 -5.15 -1.22 -1.05 116.94 111.23 3mcu h PHE 195 Ca 0.18 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.82 3mcu h PHE 195 Cb 0.18 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.27 3mcu h PHE 195 CO -0.00 0.00 0.16 2.89 -2.00 0.00 0.00 178.31 179.36 3mcu n ARG 196 N -2.44 4.03 0.00 6.09 1.85 -1.15 -4.98 116.66 120.06 3mcu n ARG 196 Ca -0.01 -3.11 0.00 0.00 -1.00 0.00 0.00 57.85 53.73 3mcu n ARG 196 Cb 0.11 -2.20 0.00 0.00 -1.05 0.00 0.00 32.46 29.31 3mcu n ARG 196 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28