#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 0.02 -4.71 2.46 4.32 -1.26 -4.83 117.00 113.00 3mcu n LEU 3 Ca 0.00 0.37 -0.42 0.00 -0.02 0.00 0.00 56.01 55.94 3mcu n LEU 3 Cb 0.00 -0.38 -0.03 0.00 -1.62 0.00 0.00 43.42 41.39 3mcu n LEU 3 CO 0.00 0.00 1.17 -1.59 -1.22 0.00 0.00 177.39 175.75 3mcu s LYS 4 N -2.77 4.26 -1.22 3.23 -2.85 -1.20 -2.44 119.74 116.76 3mcu s LYS 4 Ca 0.22 2.19 0.00 0.00 -1.00 0.00 0.00 55.97 57.38 3mcu s LYS 4 Cb 0.20 -3.33 0.00 0.00 -2.06 0.00 0.00 37.83 32.64 3mcu s LYS 4 CO 0.50 -0.56 0.00 0.41 0.10 0.00 0.00 175.35 175.80 3mcu n GLY 5 N 3.68 1.06 3.81 0.59 0.00 -0.69 -4.95 105.19 108.69 3mcu n GLY 5 Ca 0.13 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.27 3.17 -0.41 1.61 -0.14 -1.02 -4.98 119.74 114.70 3mcu s LYS 6 Ca 0.00 -0.41 -0.19 0.00 -1.36 0.00 0.00 55.97 54.02 3mcu s LYS 6 Cb 0.00 -2.94 0.02 0.00 -1.68 0.00 0.00 37.83 33.23 3mcu s LYS 6 CO 0.00 0.67 0.52 0.50 -0.76 0.00 0.00 175.35 176.28 3mcu s ARG 7 N -1.61 3.28 -0.25 1.68 3.52 -1.26 -1.01 118.95 123.29 3mcu s ARG 7 Ca 0.22 -0.50 -0.05 0.00 -0.13 0.00 0.00 55.73 55.27 3mcu s ARG 7 Cb -0.12 -3.93 -0.00 0.00 -1.56 0.00 0.00 34.95 29.34 3mcu s ARG 7 CO 0.13 -0.86 0.01 0.42 -0.81 0.00 0.00 175.30 174.19 3mcu s ILE 8 N 2.42 3.65 0.30 4.11 -1.09 0.11 0.53 121.20 131.24 3mcu s ILE 8 Ca 0.17 -0.54 -0.27 0.00 -2.23 0.00 0.00 60.65 57.78 3mcu s ILE 8 Cb -0.16 -2.75 -0.10 0.00 -1.58 0.00 0.00 42.46 37.88 3mcu s ILE 8 CO 0.15 0.29 0.97 -0.83 -1.23 0.00 0.00 174.94 174.29 3mcu s GLY 9 N 1.49 2.91 -0.17 6.18 0.00 -0.12 -1.07 107.32 116.55 3mcu s GLY 9 Ca 0.04 0.60 -0.05 0.00 0.00 0.00 0.00 44.72 45.32 3mcu s GLY 9 CO -0.01 1.09 0.08 -0.12 0.00 0.00 0.00 173.10 174.14 3mcu s PHE 10 N -1.46 0.33 0.03 1.90 5.36 -0.81 -0.41 117.98 122.93 3mcu s PHE 10 Ca 0.48 -0.39 0.04 0.00 -0.96 0.00 0.00 56.93 56.09 3mcu s PHE 10 Cb -0.22 -0.74 -0.04 0.00 -0.34 0.00 0.00 43.02 41.68 3mcu s PHE 10 CO 0.28 -0.52 -0.04 0.20 -1.46 0.00 0.00 175.22 173.68 3mcu s GLY 11 N 2.09 1.82 -0.06 13.12 0.00 0.94 -0.82 107.32 124.40 3mcu s GLY 11 Ca 0.02 -1.05 0.05 0.00 0.00 0.00 0.00 44.72 43.73 3mcu s GLY 11 CO -0.09 -0.95 -0.22 -1.36 0.00 0.00 0.00 173.10 170.48 3mcu s PHE 12 N -1.10 2.24 0.05 1.90 0.40 -0.99 -2.03 117.98 118.44 3mcu s PHE 12 Ca 0.20 -0.72 0.05 0.00 -0.60 0.00 0.00 56.93 55.86 3mcu s PHE 12 Cb -0.11 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 3mcu s PHE 12 CO 0.11 -0.25 -0.15 0.95 0.70 0.00 0.00 175.22 176.59 3mcu s THR 13 N 0.03 1.15 0.00 0.64 -4.23 -1.19 -2.92 115.64 109.12 3mcu s THR 13 Ca -0.07 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 3mcu s THR 13 Cb -0.14 -1.05 0.00 0.00 1.34 0.00 0.00 72.50 72.64 3mcu s THR 13 CO 0.04 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3mcu n GLY 14 N 1.76 -1.17 3.75 3.99 0.00 -1.26 -4.52 105.19 107.73 3mcu n GLY 14 Ca -0.19 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.40 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 5.00 0.35 1.61 0.15 -1.26 -4.94 113.70 110.60 3mcu s SER 15 Ca 0.00 2.43 0.19 0.00 0.70 0.00 0.00 55.95 59.27 3mcu s SER 15 Cb 0.00 -2.60 0.36 0.00 -1.71 0.00 0.00 66.02 62.07 3mcu s SER 15 CO 0.00 -1.73 1.58 0.45 1.20 0.00 0.00 173.24 174.75 3mcu h HIS 16 N 0.73 0.00 0.00 3.44 -0.00 -2.02 -3.22 115.15 114.08 3mcu h HIS 16 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.87 3mcu h HIS 16 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3mcu h HIS 16 CO 0.46 0.36 0.00 0.00 -0.00 0.00 0.00 177.93 178.75 3mcu n THR 18 N -1.46 3.13 0.06 0.00 -2.24 -1.22 -4.49 114.28 108.06 3mcu n THR 18 Ca 0.04 -2.53 0.02 0.00 -2.27 0.00 0.00 64.05 59.31 3mcu n THR 18 Cb 0.16 -0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 67.70 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 -1.06 0.00 0.10 4.78 4.01 -1.21 -4.55 117.16 119.24 3mcu n TYR 19 Ca 0.54 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 58.47 3mcu n TYR 19 Cb 1.23 -0.05 0.75 0.00 -0.31 0.00 0.00 39.34 40.97 3mcu n TYR 19 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3mcu h GLU 20 N 0.00 0.00 0.00 -0.72 4.81 -1.85 -0.36 114.58 116.46 3mcu h GLU 20 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3mcu h GLU 20 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3mcu h GLU 20 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 177.43 3mcu n GLU 21 N -3.96 0.46 -2.69 1.92 0.28 -1.26 -4.40 120.64 110.99 3mcu n GLU 21 Ca 0.06 0.02 -0.28 0.00 -0.16 0.00 0.00 57.16 56.80 3mcu n GLU 21 Cb 0.52 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.87 3mcu n GLU 21 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3mcu n VAL 22 N -1.25 2.92 0.00 3.84 0.24 -0.15 -4.77 118.33 119.16 3mcu n VAL 22 Ca 0.14 -5.28 0.00 0.00 -2.04 0.00 0.00 64.34 57.17 3mcu n VAL 22 Cb 0.21 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.24 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 -0.35 0.00 0.16 7.34 -0.02 -1.26 -1.98 135.00 138.89 3mcu n PRO 24 Ca 0.36 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3mcu n PRO 24 Cb 0.50 0.00 0.25 0.00 -0.02 0.00 0.00 33.50 34.23 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 0.00 0.00 6.00 3.86 -1.94 -2.10 115.15 120.97 3mcu h HIS 25 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mcu h HIS 25 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3mcu h HIS 25 CO 0.00 0.51 -0.00 1.25 0.86 0.00 0.00 177.93 180.55 3mcu h LEU 26 N 0.00 -0.00 -1.54 2.43 6.46 -1.82 -2.83 115.31 118.01 3mcu h LEU 26 Ca -0.01 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.57 3mcu h LEU 26 Cb 0.91 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 3mcu h LEU 26 CO 0.07 0.14 -0.18 -0.08 -0.62 0.00 0.00 178.44 177.76 3mcu h GLU 27 N -0.14 0.07 -0.45 1.25 4.81 -1.78 -2.28 114.58 116.05 3mcu h GLU 27 Ca -0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 3mcu h GLU 27 Cb 0.14 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3mcu h GLU 27 CO 0.00 0.25 -0.10 0.87 -0.73 0.00 0.00 179.01 179.30 3mcu h LYS 28 N 0.07 0.82 -0.58 1.92 1.57 -1.26 -1.09 116.57 118.01 3mcu h LYS 28 Ca 0.01 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 3mcu h LYS 28 Cb 0.37 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3mcu h LYS 28 CO 0.03 0.89 0.18 -0.07 -0.57 0.00 0.00 179.45 179.90 3mcu h LEU 29 N 0.74 0.85 -0.40 2.94 3.38 -1.17 -1.55 115.31 120.09 3mcu h LEU 29 Ca 0.13 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 3mcu h LEU 29 Cb 0.59 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3mcu h LEU 29 CO 0.04 0.84 -0.36 0.16 0.09 0.00 0.00 178.44 179.20 3mcu h ILE 30 N 0.82 1.27 0.00 1.22 -0.00 -1.30 -2.01 117.51 117.51 3mcu h ILE 30 Ca 0.19 -1.54 -0.00 0.00 -0.00 0.00 0.00 64.86 63.50 3mcu h ILE 30 Cb 0.29 1.34 -0.00 0.00 -0.00 0.00 0.00 36.82 38.46 3mcu h ILE 30 CO -0.00 0.52 -0.02 0.00 -0.00 0.00 0.00 178.15 178.65 3mcu h ALA 31 N 0.79 1.81 -0.02 0.16 0.00 -1.07 -0.73 119.26 120.20 3mcu h ALA 31 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mcu h ALA 31 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3mcu h ALA 31 CO 0.09 0.02 0.00 -1.91 0.00 0.00 0.00 179.25 177.45 3mcu n GLU 32 N -4.29 1.37 -0.29 0.00 4.07 -0.60 -4.91 120.64 116.00 3mcu n GLU 32 Ca -0.03 -0.54 0.00 0.00 -0.06 0.00 0.00 57.16 56.53 3mcu n GLU 32 Cb 0.10 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 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 1.08 0.83 3.85 8.31 0.00 -0.28 -3.25 105.19 115.73 3mcu n GLY 33 Ca 0.21 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.62 -0.31 4.61 0.00 -0.79 -1.70 121.76 125.19 3mcu s ALA 34 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 3mcu s ALA 34 Cb 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.65 3mcu s ALA 34 CO 0.00 0.48 0.72 -2.00 0.00 0.00 0.00 175.76 174.96 3mcu s GLU 35 N -1.90 3.91 -0.21 0.00 2.12 -0.18 -4.37 118.70 118.07 3mcu s GLU 35 Ca 0.36 0.43 -0.06 0.00 0.36 0.00 0.00 54.97 56.05 3mcu s GLU 35 Cb -0.15 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 3mcu s GLU 35 CO 0.19 -0.65 0.04 0.08 -0.54 0.00 0.00 175.26 174.37 3mcu s VAL 36 N 2.82 4.28 -0.43 3.70 1.01 -1.26 0.10 120.40 130.62 3mcu s VAL 36 Ca 0.29 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 3mcu s VAL 36 Cb -0.14 -2.95 0.09 0.00 0.00 0.00 0.00 36.38 33.38 3mcu s VAL 36 CO 0.13 0.41 0.26 -0.13 0.00 0.00 0.00 175.10 175.77 3mcu s ARG 37 N 1.02 2.48 0.43 2.72 1.81 -0.23 -4.47 118.95 122.70 3mcu s ARG 37 Ca 0.03 -1.58 -0.24 0.00 -1.72 0.00 0.00 55.73 52.22 3mcu s ARG 37 Cb -0.14 -3.77 -0.08 0.00 -0.45 0.00 0.00 34.95 30.51 3mcu s ARG 37 CO 0.02 -1.02 1.17 -1.25 -0.68 0.00 0.00 175.30 173.54 3mcu s PRO 38 N 1.36 3.93 -0.02 3.54 0.04 -1.26 -1.93 135.00 140.66 3mcu s PRO 38 Ca 0.04 1.81 0.01 0.00 0.04 0.00 0.00 61.00 62.89 3mcu s PRO 38 Cb -0.24 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.76 3mcu s PRO 38 CO 0.00 -0.42 -0.01 0.54 0.04 0.00 0.00 177.00 177.16 3mcu s VAL 39 N -1.48 0.15 -0.05 -0.36 0.11 -0.00 -1.38 120.40 117.39 3mcu s VAL 39 Ca 0.60 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.72 3mcu s VAL 39 Cb -0.30 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 3mcu s VAL 39 CO 0.37 0.10 -0.22 0.68 -3.33 0.00 0.00 175.10 172.70 3mcu s VAL 40 N 0.54 2.38 -2.00 2.04 -7.23 -0.17 -2.34 120.40 113.62 3mcu s VAL 40 Ca -0.05 -0.96 0.09 0.00 -1.81 0.00 0.00 61.98 59.25 3mcu s VAL 40 Cb -0.08 -1.89 0.26 0.00 0.56 0.00 0.00 36.38 35.23 3mcu s VAL 40 CO -0.01 0.57 1.23 -1.54 -0.31 0.00 0.00 175.10 175.04 3mcu n SER 41 N 2.75 0.00 -3.70 4.85 3.41 -1.15 -4.50 113.62 115.28 3mcu n SER 41 Ca -0.17 -1.42 -0.24 0.00 -0.26 0.00 0.00 58.87 56.78 3mcu n SER 41 Cb 0.52 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.30 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 -2.00 0.48 0.00 7.33 2.02 -1.26 -4.76 117.35 119.17 3mcu s TYR 42 Ca 0.14 -0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 3mcu s TYR 42 Cb 0.06 -0.74 -0.06 0.00 -0.40 0.00 0.00 41.96 40.82 3mcu s TYR 42 CO 0.11 -0.39 0.68 0.25 -1.57 0.00 0.00 175.55 174.62 3mcu n THR 43 N 5.19 0.00 -4.43 -0.71 -2.24 -1.26 -4.99 114.28 105.86 3mcu n THR 43 Ca -0.06 -0.08 0.01 0.00 -2.27 0.00 0.00 64.05 61.65 3mcu n THR 43 Cb 0.49 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.88 3mcu n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mcu n ALA 55 N 4.55 -0.13 -0.05 6.98 0.00 -1.26 -5.18 120.51 125.43 3mcu n ALA 55 Ca 0.07 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 3mcu n ALA 55 Cb 0.10 -0.05 -0.15 0.00 0.00 0.00 0.00 19.45 19.36 3mcu n ALA 55 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mcu n GLU 56 N -1.37 0.65 -0.49 0.00 4.71 -1.26 -4.30 120.64 118.58 3mcu n GLU 56 Ca 0.00 0.20 0.40 0.00 -0.01 0.00 0.00 57.16 57.75 3mcu n GLU 56 Cb 0.02 -1.70 0.69 0.00 -1.01 0.00 0.00 31.44 29.44 3mcu n GLU 56 CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 177.13 177.33 3mcu h TRP 57 N 0.00 0.38 0.00 -0.32 5.08 -1.97 2.33 115.95 121.44 3mcu h TRP 57 Ca -0.38 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 59.46 3mcu h TRP 57 Cb 2.09 -0.09 -0.02 0.00 -3.00 0.00 0.00 29.16 28.13 3mcu h TRP 57 CO 0.00 -0.14 -0.82 0.82 -1.28 0.00 0.00 178.44 177.02 3mcu h ILE 58 N 0.07 1.22 -0.70 0.12 2.04 -2.00 -3.13 117.51 115.12 3mcu h ILE 58 Ca 0.82 -2.24 0.02 0.00 1.00 0.00 0.00 64.86 64.47 3mcu h ILE 58 Cb 2.79 2.63 -0.04 0.00 -0.74 0.00 0.00 36.82 41.46 3mcu h ILE 58 CO -0.30 0.41 0.47 0.11 0.00 0.00 0.00 178.15 178.84 3mcu h LYS 59 N -1.00 0.86 0.22 2.37 1.79 -0.51 -2.23 116.57 118.08 3mcu h LYS 59 Ca -0.23 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 3mcu h LYS 59 Cb 1.20 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 3mcu h LYS 59 CO -0.14 0.57 -0.11 -0.22 -1.08 0.00 0.00 179.45 178.48 3mcu h LYS 60 N 0.89 -0.29 -0.84 3.15 3.64 0.35 0.35 116.57 123.82 3mcu h LYS 60 Ca 0.27 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.83 3mcu h LYS 60 Cb -0.01 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.82 3mcu h LYS 60 CO -0.07 0.03 0.55 0.82 -2.27 0.00 0.00 179.45 178.51 3mcu h ILE 61 N -0.63 0.79 -0.01 2.00 2.04 -1.45 0.35 117.51 120.62 3mcu h ILE 61 Ca -0.03 -0.19 -0.19 0.00 1.00 0.00 0.00 64.86 65.45 3mcu h ILE 61 Cb 0.45 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3mcu h ILE 61 CO 0.05 0.10 -0.83 -0.33 0.00 0.00 0.00 178.15 177.14 3mcu h GLU 62 N 0.54 0.21 0.63 2.37 5.08 -1.23 -1.79 114.58 120.39 3mcu h GLU 62 Ca 0.42 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3mcu h GLU 62 Cb 0.84 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.15 3mcu h GLU 62 CO -0.17 0.93 -0.30 1.49 -1.00 0.00 0.00 179.01 179.96 3mcu h GLU 63 N 0.12 -0.81 -0.02 2.33 4.81 0.14 -3.34 114.58 117.82 3mcu h GLU 63 Ca -0.04 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3mcu h GLU 63 Cb 1.44 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 3mcu h GLU 63 CO 0.13 -0.54 -0.02 0.82 -0.73 0.00 0.00 179.01 178.67 3mcu h ILE 64 N -1.13 0.00 -3.85 2.32 2.04 -0.53 -3.41 117.51 112.96 3mcu h ILE 64 Ca -0.09 0.00 -0.47 0.00 1.00 0.00 0.00 64.86 65.31 3mcu h ILE 64 Cb 0.64 0.00 0.17 0.00 -0.74 0.00 0.00 36.82 36.90 3mcu h ILE 64 CO 0.14 0.00 0.17 0.28 0.00 0.00 0.00 178.15 178.74 3mcu s THR 65 N -3.09 2.31 -0.37 -0.27 -1.32 -0.67 -4.94 115.64 107.28 3mcu s THR 65 Ca -0.00 0.10 0.09 0.00 -1.21 0.00 0.00 61.69 60.67 3mcu s THR 65 Cb 0.00 -2.42 0.64 0.00 -1.51 0.00 0.00 72.50 69.21 3mcu s THR 65 CO 0.02 -0.13 1.60 0.61 -2.21 0.00 0.00 174.62 174.51 3mcu n GLY 66 N -0.47 3.13 3.01 6.08 0.00 -1.26 -4.67 105.19 111.02 3mcu n GLY 66 Ca 0.06 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.54 0.17 0.21 1.61 0.08 -1.25 -5.10 117.98 111.16 3mcu s PHE 67 Ca 0.46 -0.35 -0.30 0.00 0.12 0.00 0.00 56.93 56.85 3mcu s PHE 67 Cb 0.36 -0.13 -0.09 0.00 -0.57 0.00 0.00 43.02 42.59 3mcu s PHE 67 CO 0.12 -0.20 1.39 0.15 -0.10 0.00 0.00 175.22 176.57 3mcu s LYS 68 N -1.29 4.32 0.15 0.44 3.01 -1.26 -4.46 119.74 120.65 3mcu s LYS 68 Ca -0.14 2.18 -0.31 0.00 -1.01 0.00 0.00 55.97 56.69 3mcu s LYS 68 Cb -0.08 -3.16 -0.10 0.00 -1.01 0.00 0.00 37.83 33.48 3mcu s LYS 68 CO -0.00 -0.36 1.62 0.00 0.51 0.00 0.00 175.35 177.12 3mcu s ALA 69 N 0.18 3.78 0.03 5.17 0.00 -1.26 -4.78 121.76 124.88 3mcu s ALA 69 Ca 0.59 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.62 3mcu s ALA 69 Cb -0.39 -3.65 -0.07 0.00 0.00 0.00 0.00 23.12 19.00 3mcu s ALA 69 CO 0.39 -0.89 1.54 0.42 0.00 0.00 0.00 175.76 177.23 3mcu s ILE 70 N 1.54 3.37 -0.03 0.00 1.01 -0.48 -4.88 121.20 121.72 3mcu s ILE 70 Ca 0.72 0.77 0.04 0.00 0.00 0.00 0.00 60.65 62.18 3mcu s ILE 70 Cb -0.44 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.60 3mcu s ILE 70 CO 0.32 -0.01 0.91 -0.46 0.00 0.00 0.00 174.94 175.70 3mcu n ASN 71 N 5.58 0.76 -3.93 3.58 6.94 -1.26 -1.00 115.26 125.93 3mcu n ASN 71 Ca 0.15 -2.00 -0.10 0.00 -0.02 0.00 0.00 54.58 52.61 3mcu n ASN 71 Cb 0.42 -0.18 -0.10 0.00 -2.36 0.00 0.00 39.78 37.56 3mcu n ASN 71 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3mcu s SER 72 N -1.17 0.15 0.17 0.53 1.04 -1.26 -4.00 113.70 109.15 3mcu s SER 72 Ca 0.07 -0.41 -0.15 0.00 0.48 0.00 0.00 55.95 55.94 3mcu s SER 72 Cb 0.06 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.44 3mcu s SER 72 CO 0.01 -0.39 1.78 0.40 0.98 0.00 0.00 173.24 176.01 3mcu h ILE 73 N 4.19 0.97 -0.95 -1.02 2.04 -1.90 -0.08 117.51 120.75 3mcu h ILE 73 Ca -0.32 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.44 3mcu h ILE 73 Cb 1.19 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3mcu h ILE 73 CO 0.44 0.08 0.62 0.58 0.00 0.00 0.00 178.15 179.87 3mcu h VAL 74 N 0.44 1.14 0.00 1.67 2.07 -1.98 -1.49 116.25 118.08 3mcu h VAL 74 Ca 0.19 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3mcu h VAL 74 Cb 0.09 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.72 3mcu h VAL 74 CO -0.13 0.21 -0.06 1.23 0.02 0.00 0.00 177.57 178.85 3mcu h GLY 75 N 1.17 0.00 0.82 2.17 0.00 -1.54 -3.04 103.07 102.64 3mcu h GLY 75 Ca 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 3mcu h GLY 75 CO -0.13 0.00 -1.20 0.00 0.00 0.00 0.00 176.54 175.21 3mcu n ALA 76 N -2.39 2.54 -0.22 3.60 0.00 -0.20 -4.39 120.51 119.46 3mcu n ALA 76 Ca -0.03 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.14 3mcu n ALA 76 Cb 0.15 -1.03 0.28 0.00 0.00 0.00 0.00 19.45 18.84 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 0.91 0.00 0.00 5.08 -1.33 -1.04 114.58 118.20 3mcu h GLU 77 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3mcu h GLU 77 Cb 1.04 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3mcu h GLU 77 CO 0.00 0.60 0.00 -2.30 -1.00 0.00 0.00 179.01 176.31 3mcu n PRO 78 N -4.45 0.03 0.18 2.33 -0.02 -1.26 -1.13 135.00 130.67 3mcu n PRO 78 Ca 0.10 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 62.09 3mcu n PRO 78 Cb 0.12 -1.57 0.64 0.00 -0.02 0.00 0.00 33.50 32.67 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 -1.39 -0.80 115.31 115.57 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 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 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 -1.13 0.96 0.12 0.83 0.00 -0.29 -3.66 105.19 102.03 3mcu n GLY 80 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.00 1.61 0.13 -1.73 -3.39 132.00 128.63 3mcu h PRO 81 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 3mcu h PRO 81 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 3mcu h PRO 81 CO 0.00 0.28 -2.16 1.63 -0.23 0.00 0.00 178.00 177.52 3mcu n LYS 82 N -2.97 0.46 -3.48 0.86 5.02 -0.58 -4.77 118.16 112.69 3mcu n LYS 82 Ca -0.03 0.17 -0.27 0.00 -2.02 0.00 0.00 58.31 56.16 3mcu n LYS 82 Cb 0.73 -1.28 -0.09 0.00 -0.02 0.00 0.00 35.03 34.37 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 -3.71 1.70 -2.23 -0.18 -5.35 -0.41 -5.04 119.36 104.13 3mcu n ILE 83 Ca -0.40 -4.93 -0.41 0.00 -0.27 0.00 0.00 62.75 56.74 3mcu n ILE 83 Cb 0.81 -2.08 -0.03 0.00 -1.74 0.00 0.00 39.64 36.60 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 -2.03 4.42 0.41 6.28 0.04 -1.24 -4.41 135.00 138.48 3mcu s PRO 84 Ca 0.36 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 63.25 3mcu s PRO 84 Cb 0.11 -3.16 -0.11 0.00 0.04 0.00 0.00 34.50 31.39 3mcu s PRO 84 CO -0.06 -0.15 0.93 -0.51 0.04 0.00 0.00 177.00 177.25 3mcu s LEU 85 N -0.82 3.98 0.27 -3.56 1.43 -1.26 -4.88 118.68 113.83 3mcu s LEU 85 Ca 0.52 1.66 0.17 0.00 -1.03 0.00 0.00 54.13 55.45 3mcu s LEU 85 Cb -0.37 -4.46 0.07 0.00 0.03 0.00 0.00 46.19 41.46 3mcu s LEU 85 CO 0.43 -0.33 1.36 0.44 0.23 0.00 0.00 176.35 178.48 3mcu h ASP 86 N 2.02 0.00 0.00 2.29 3.32 -0.30 -3.48 116.42 120.28 3mcu h ASP 86 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 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 0.41 0.00 0.00 -1.72 0.00 0.00 179.24 178.55 3mcu s VAL 89 N -2.83 0.00 -0.23 0.00 1.01 0.46 -0.94 120.40 117.87 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 0.06 0.00 0.00 0.00 0.00 36.38 35.44 3mcu s VAL 89 CO 0.00 0.00 -0.05 -0.63 0.00 0.00 0.00 175.10 174.42 3mcu s ILE 90 N 0.35 1.45 -0.19 2.22 1.01 -0.01 -0.04 121.20 126.00 3mcu s ILE 90 Ca 0.02 -1.17 -0.07 0.00 0.00 0.00 0.00 60.65 59.43 3mcu s ILE 90 Cb -0.05 -1.74 0.08 0.00 0.01 0.00 0.00 42.46 40.77 3mcu s ILE 90 CO -0.12 -0.11 0.40 0.00 0.00 0.00 0.00 174.94 175.12 3mcu s ALA 91 N 1.43 -1.07 0.64 9.38 0.00 -0.86 -1.73 121.76 129.54 3mcu s ALA 91 Ca -0.05 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 3mcu s ALA 91 Cb -0.19 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 3mcu s ALA 91 CO -0.06 -0.65 1.04 -1.25 0.00 0.00 0.00 175.76 174.84 3mcu s PRO 92 N 2.35 3.42 -0.42 0.00 0.04 -1.26 -4.59 135.00 134.54 3mcu s PRO 92 Ca -0.03 0.66 -0.03 0.00 0.04 0.00 0.00 61.00 61.64 3mcu s PRO 92 Cb -0.11 -2.08 0.11 0.00 0.04 0.00 0.00 34.50 32.46 3mcu s PRO 92 CO -0.12 -0.67 0.22 -1.17 0.04 0.00 0.00 177.00 175.30 3mcu s LEU 93 N -5.21 5.28 0.95 -3.56 0.20 -0.36 -3.14 118.68 112.85 3mcu s LEU 93 Ca 0.55 -2.05 -0.10 0.00 0.69 0.00 0.00 54.13 53.22 3mcu s LEU 93 Cb -0.11 -1.84 0.17 0.00 -0.43 0.00 0.00 46.19 43.98 3mcu s LEU 93 CO 0.53 -0.55 1.13 0.42 -0.29 0.00 0.00 176.35 177.60 3mcu s THR 94 N 1.11 2.02 0.25 3.68 -4.23 -1.26 -1.79 115.64 115.42 3mcu s THR 94 Ca 0.08 0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.56 3mcu s THR 94 Cb -0.23 -2.01 0.15 0.00 1.34 0.00 0.00 72.50 71.75 3mcu s THR 94 CO -0.04 -0.01 1.79 1.23 -0.54 0.00 0.00 174.62 177.06 3mcu h GLY 95 N -2.00 1.07 0.62 3.99 0.00 -1.96 -2.82 103.07 101.97 3mcu h GLY 95 Ca -0.45 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 46.28 3mcu h GLY 95 CO 0.42 0.58 -0.20 -0.57 0.00 0.00 0.00 176.54 176.77 3mcu h ASN 96 N 0.96 -0.57 0.00 0.19 -1.24 -1.94 -1.63 115.58 111.35 3mcu h ASN 96 Ca 0.21 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.29 3mcu h ASN 96 Cb 0.28 0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.56 3mcu h ASN 96 CO -0.01 -0.28 0.00 -1.20 -1.29 0.00 0.00 177.43 174.65 3mcu n SER 97 N -5.33 1.31 0.00 1.15 7.64 -1.06 -1.92 113.62 115.41 3mcu n SER 97 Ca -0.06 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.86 3mcu n SER 97 Cb 0.24 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 1.17 0.00 -0.17 6.43 2.88 -0.61 -0.74 113.62 122.58 3mcu n SER 99 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3mcu n SER 99 Cb 0.17 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.71 0.02 -1.46 1.57 -1.65 -1.96 116.57 113.80 3mcu h LYS 100 Ca 0.00 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3mcu h LYS 100 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3mcu h LYS 100 CO 0.00 0.60 -0.10 0.35 -0.57 0.00 0.00 179.45 179.73 3mcu h PHE 101 N 0.65 -0.26 -0.48 -1.35 3.57 -1.21 -0.18 116.94 117.69 3mcu h PHE 101 Ca 0.17 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.75 3mcu h PHE 101 Cb 0.12 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3mcu h PHE 101 CO -0.01 -0.15 0.33 0.00 -2.23 0.00 0.00 178.31 176.24 3mcu h ALA 102 N 0.78 2.02 -0.12 2.41 0.00 -1.78 -0.92 119.26 121.65 3mcu h ALA 102 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3mcu h ALA 102 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3mcu h ALA 102 CO -0.09 -0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.13 3mcu n ASN 103 N -4.47 1.79 -2.41 0.00 4.13 -0.74 -4.99 115.26 108.57 3mcu n ASN 103 Ca 0.07 -1.67 -0.04 0.00 1.68 0.00 0.00 54.58 54.62 3mcu n ASN 103 Cb 0.31 -0.07 -0.03 0.00 -1.54 0.00 0.00 39.78 38.44 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 0.40 -3.57 0.00 5.41 0.00 -0.15 -5.04 120.51 117.56 3mcu n ALA 104 Ca 0.17 1.73 0.00 0.00 0.00 0.00 0.00 53.44 55.34 3mcu n ALA 104 Cb 0.37 -3.38 0.00 0.00 0.00 0.00 0.00 19.45 16.44 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 1.24 0.00 0.67 0.00 -2.24 -1.26 -5.03 114.28 107.66 3mcu n THR 106 Ca -0.29 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.48 3mcu n THR 106 Cb 0.44 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.73 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 2.34 -3.88 3.42 5.75 -1.26 -4.76 116.55 118.15 3mcu n ASP 107 Ca 0.00 -2.20 -0.09 0.00 -0.01 0.00 0.00 54.79 52.49 3mcu n ASP 107 Cb 0.00 -0.54 -0.08 0.00 -1.03 0.00 0.00 41.12 39.47 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 0.18 0.14 0.27 -1.12 1.04 -1.26 -5.05 113.70 107.90 3mcu s SER 108 Ca 0.09 -0.62 -0.00 0.00 0.48 0.00 0.00 55.95 55.90 3mcu s SER 108 Cb 0.07 0.31 0.53 0.00 0.10 0.00 0.00 66.02 67.03 3mcu s SER 108 CO 0.02 -0.66 1.80 -0.65 0.98 0.00 0.00 173.24 174.73 3mcu h PRO 109 N 3.01 0.77 -0.27 4.02 0.11 -1.83 -2.91 132.00 134.89 3mcu h PRO 109 Ca -0.33 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 3mcu h PRO 109 Cb 1.19 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3mcu h PRO 109 CO 0.55 0.51 -0.01 0.28 -0.21 0.00 0.00 178.00 179.12 3mcu h VAL 110 N 0.79 1.26 0.00 3.15 2.07 -1.88 -1.16 116.25 120.48 3mcu h VAL 110 Ca 0.47 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3mcu h VAL 110 Cb 0.56 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3mcu h VAL 110 CO -0.31 0.30 0.00 0.18 0.02 0.00 0.00 177.57 177.76 3mcu n LEU 111 N -4.60 0.00 0.00 2.57 4.77 -1.10 -1.10 117.00 117.54 3mcu n LEU 111 Ca -0.03 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3mcu n LEU 111 Cb 0.25 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3mcu n LEU 111 CO 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 3mcu n ALA 113 N 0.62 0.00 -0.10 -1.18 0.00 -0.44 -1.12 120.51 118.29 3mcu n ALA 113 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3mcu n ALA 113 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.41 -0.39 0.00 0.00 -1.38 -2.08 119.26 115.82 3mcu h ALA 114 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.66 3mcu h ALA 114 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3mcu h ALA 114 CO 0.00 0.26 0.12 -0.22 0.00 0.00 0.00 179.25 179.41 3mcu h LYS 115 N 0.34 0.26 0.00 0.00 3.64 -1.39 -1.81 116.57 117.61 3mcu h LYS 115 Ca 0.07 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3mcu h LYS 115 Cb 0.61 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3mcu h LYS 115 CO 0.04 0.17 -0.01 0.00 -2.27 0.00 0.00 179.45 177.38 3mcu h ALA 116 N 1.27 1.34 0.04 5.00 0.00 -1.77 0.77 119.26 125.90 3mcu h ALA 116 Ca 0.18 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3mcu h ALA 116 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3mcu h ALA 116 CO -0.21 0.01 -0.67 1.15 0.00 0.00 0.00 179.25 179.53 3mcu h THR 117 N 0.00 1.41 0.00 0.00 2.02 -0.71 -3.32 112.91 112.31 3mcu h THR 117 Ca -0.00 -2.34 -0.00 0.00 0.77 0.00 0.00 66.41 64.83 3mcu h THR 117 Cb 0.03 2.97 -0.00 0.00 -1.74 0.00 0.00 68.15 69.41 3mcu h THR 117 CO 0.00 0.57 -0.01 -0.07 0.37 0.00 0.00 175.52 176.38 3mcu h LEU 118 N -0.79 0.00 -1.20 2.58 3.38 -1.04 -1.62 115.31 116.63 3mcu h LEU 118 Ca -0.16 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.04 3mcu h LEU 118 Cb 1.30 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.95 3mcu h LEU 118 CO -0.02 0.01 0.63 -0.09 0.09 0.00 0.00 178.44 179.06 3mcu h ARG 119 N 0.00 0.53 -0.36 1.13 2.43 -0.94 -1.83 114.38 115.34 3mcu h ARG 119 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3mcu h ARG 119 Cb 0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3mcu h ARG 119 CO 0.00 0.35 0.00 0.09 -1.51 0.00 0.00 179.97 178.90 3mcu n ASN 120 N -4.71 3.41 -0.73 -3.80 3.02 -0.67 -4.93 115.26 106.86 3mcu n ASN 120 Ca 0.24 -1.99 -0.08 0.00 -0.03 0.00 0.00 54.58 52.72 3mcu n ASN 120 Cb 0.74 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 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 1.50 0.52 3.91 7.41 0.00 -0.69 -5.03 105.19 112.82 3mcu n GLY 121 Ca 0.19 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.50 3.53 0.28 1.61 -0.14 -0.86 -4.96 119.74 115.70 3mcu s LYS 122 Ca 0.00 -0.29 -0.29 0.00 -1.36 0.00 0.00 55.97 54.03 3mcu s LYS 122 Cb 0.00 -2.91 -0.10 0.00 -1.68 0.00 0.00 37.83 33.14 3mcu s LYS 122 CO 0.00 0.50 1.25 -1.25 -0.76 0.00 0.00 175.35 175.09 3mcu s PRO 123 N -2.81 4.44 -0.12 -1.68 0.04 -1.26 -4.00 135.00 129.61 3mcu s PRO 123 Ca 0.38 2.07 0.01 0.00 0.04 0.00 0.00 61.00 63.50 3mcu s PRO 123 Cb -0.12 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 3mcu s PRO 123 CO 0.27 -0.10 -0.17 0.08 0.04 0.00 0.00 177.00 177.12 3mcu s VAL 124 N -0.82 2.69 -0.13 -0.36 1.01 -0.15 -4.37 120.40 118.27 3mcu s VAL 124 Ca 0.50 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3mcu s VAL 124 Cb -0.37 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3mcu s VAL 124 CO 0.46 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 175.32 3mcu s VAL 125 N 0.38 3.47 -0.01 2.92 1.01 -1.26 -0.69 120.40 126.22 3mcu s VAL 125 Ca -0.13 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3mcu s VAL 125 Cb -0.17 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3mcu s VAL 125 CO 0.06 0.52 -0.24 -0.76 0.00 0.00 0.00 175.10 174.68 3mcu s LEU 126 N 0.19 2.06 -0.37 3.92 1.43 0.52 -0.83 118.68 125.60 3mcu s LEU 126 Ca -0.05 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3mcu s LEU 126 Cb -0.14 -1.25 0.11 0.00 0.03 0.00 0.00 46.19 44.93 3mcu s LEU 126 CO 0.04 0.29 0.09 0.00 0.23 0.00 0.00 176.35 177.00 3mcu s ALA 127 N -0.60 2.97 0.43 4.21 0.00 -0.71 -0.48 121.76 127.58 3mcu s ALA 127 Ca 0.10 -2.67 -0.24 0.00 0.00 0.00 0.00 51.96 49.15 3mcu s ALA 127 Cb -0.09 -2.00 -0.08 0.00 0.00 0.00 0.00 23.12 20.94 3mcu s ALA 127 CO -0.01 -1.75 1.12 0.54 0.00 0.00 0.00 175.76 175.67 3mcu s VAL 128 N 0.69 3.35 -0.33 0.00 0.11 -1.26 -1.22 120.40 121.74 3mcu s VAL 128 Ca 0.12 1.04 0.03 0.00 -2.93 0.00 0.00 61.98 60.24 3mcu s VAL 128 Cb -0.20 -3.54 0.16 0.00 -1.53 0.00 0.00 36.38 31.27 3mcu s VAL 128 CO -0.07 0.01 0.43 -0.55 -3.33 0.00 0.00 175.10 171.59 3mcu s SER 129 N -1.40 0.37 -0.14 3.54 0.15 -0.74 -0.99 113.70 114.50 3mcu s SER 129 Ca 0.60 -0.75 -0.18 0.00 0.70 0.00 0.00 55.95 56.32 3mcu s SER 129 Cb -0.26 1.06 0.04 0.00 -1.71 0.00 0.00 66.02 65.15 3mcu s SER 129 CO 0.33 -0.31 0.47 0.28 1.20 0.00 0.00 173.24 175.21 3mcu s THR 130 N 2.17 0.01 -2.11 6.45 -1.32 -1.26 -3.81 115.64 115.76 3mcu s THR 130 Ca 0.12 -0.09 0.23 0.00 -1.21 0.00 0.00 61.69 60.75 3mcu s THR 130 Cb -0.12 -0.69 0.61 0.00 -1.51 0.00 0.00 72.50 70.78 3mcu s THR 130 CO -0.20 -0.05 1.81 -0.46 -2.21 0.00 0.00 174.62 173.51 3mcu n ASN 131 N 2.34 0.48 -0.19 8.08 0.23 -1.26 -3.12 115.26 121.82 3mcu n ASN 131 Ca -0.15 -1.38 0.09 0.00 -0.53 0.00 0.00 54.58 52.60 3mcu n ASN 131 Cb 0.57 -0.02 0.15 0.00 -2.08 0.00 0.00 39.78 38.39 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 -0.52 2.15 -0.25 0.53 5.68 -1.25 -3.22 116.55 119.67 3mcu n ASP 132 Ca 0.17 -3.19 0.11 0.00 -0.50 0.00 0.00 54.79 51.38 3mcu n ASP 132 Cb 0.16 -0.44 0.38 0.00 -1.14 0.00 0.00 41.12 40.08 3mcu n ASP 132 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mcu h ALA 133 N 0.19 1.83 -0.21 2.12 0.00 -1.18 -0.69 119.26 121.31 3mcu h ALA 133 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3mcu h ALA 133 Cb 1.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3mcu h ALA 133 CO 0.00 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.48 3mcu n LEU 134 N -4.54 2.94 0.00 0.00 4.77 0.05 -2.08 117.00 118.15 3mcu n LEU 134 Ca 0.16 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 3mcu n LEU 134 Cb 0.43 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3mcu n LEU 134 CO 0.30 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3mcu n GLY 135 N 1.39 0.70 0.26 -0.72 0.00 -0.31 -4.81 105.19 101.70 3mcu n GLY 135 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 0.99 3.38 -1.89 -2.50 115.31 115.29 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 0.11 -0.01 -3.20 0.09 0.00 0.00 178.44 175.44 3mcu n ASN 137 N -3.52 0.14 -0.23 -0.43 2.85 -0.92 -4.11 115.26 109.04 3mcu n ASN 137 Ca -0.01 0.50 0.00 0.00 -0.11 0.00 0.00 54.58 54.96 3mcu n ASN 137 Cb 0.26 -0.54 0.12 0.00 1.24 0.00 0.00 39.78 40.86 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 4.92 1.00 1.50 8.20 0.00 -0.94 -0.86 103.07 116.90 3mcu h GLY 138 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3mcu h GLY 138 CO 0.00 0.06 0.01 -2.08 0.00 0.00 0.00 176.54 174.54 3mcu h VAL 139 N 0.58 1.21 -0.23 4.60 2.07 -1.80 -2.93 116.25 119.75 3mcu h VAL 139 Ca 0.33 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 3mcu h VAL 139 Cb 0.33 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3mcu h VAL 139 CO -0.25 0.29 -0.22 0.78 0.02 0.00 0.00 177.57 178.18 3mcu h ASN 140 N 0.59 0.60 0.00 0.57 2.35 -1.55 0.20 115.58 118.34 3mcu h ASN 140 Ca 0.12 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3mcu h ASN 140 Cb 0.35 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3mcu h ASN 140 CO 0.01 0.95 0.00 -0.11 -1.65 0.00 0.00 177.43 176.63 3mcu n LEU 141 N -4.39 0.00 0.00 1.61 0.00 -0.42 -2.04 117.00 111.76 3mcu n LEU 141 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.96 3mcu n LEU 141 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.84 3mcu n LEU 141 CO 0.42 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.67 3mcu n ARG 143 N -0.04 0.00 0.00 1.96 0.63 0.06 -4.71 116.66 114.56 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 0.07 0.00 6.15 4.77 -0.87 -2.56 117.00 124.56 3mcu n LEU 144 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3mcu n LEU 144 Cb 0.00 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3mcu n LEU 144 CO 0.00 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.07 3mcu n ALA 146 N 0.92 0.00 -2.40 -1.18 0.00 -1.26 -4.70 120.51 111.89 3mcu n ALA 146 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3mcu n ALA 146 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 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 4.89 -0.11 0.00 2.01 -1.06 -5.00 115.64 116.37 3mcu s THR 147 Ca 0.00 1.03 -0.39 0.00 0.31 0.00 0.00 61.69 62.63 3mcu s THR 147 Cb 0.00 -3.80 -0.17 0.00 0.01 0.00 0.00 72.50 68.53 3mcu s THR 147 CO 0.00 0.56 1.47 0.29 -0.69 0.00 0.00 174.62 176.25 3mcu n LYS 148 N 1.80 0.88 -1.13 4.92 5.02 -1.26 -2.55 118.16 125.84 3mcu n LYS 148 Ca -0.12 0.32 -0.04 0.00 -2.02 0.00 0.00 58.31 56.44 3mcu n LYS 148 Cb 0.52 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 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 3.51 -3.79 -4.29 4.39 3.02 -1.26 -5.00 115.26 111.83 3mcu n ASN 149 Ca 0.23 0.11 -0.32 0.00 -0.03 0.00 0.00 54.58 54.56 3mcu n ASN 149 Cb 0.13 -1.67 -0.16 0.00 -0.61 0.00 0.00 39.78 37.47 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 -2.07 2.54 0.08 2.41 1.01 -1.06 -0.98 121.20 123.14 3mcu s ILE 150 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.87 3mcu s ILE 150 Cb 0.00 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3mcu s ILE 150 CO 0.00 0.54 -0.17 -0.31 0.00 0.00 0.00 174.94 175.00 3mcu s TYR 151 N 0.36 1.45 -0.08 3.97 2.02 0.13 -4.81 117.35 120.39 3mcu s TYR 151 Ca -0.15 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.15 3mcu s TYR 151 Cb -0.17 -0.81 -0.02 0.00 -0.40 0.00 0.00 41.96 40.56 3mcu s TYR 151 CO 0.07 0.11 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.95 3mcu s PHE 152 N -1.18 2.71 0.23 2.71 0.40 -1.26 -0.36 117.98 121.23 3mcu s PHE 152 Ca 0.02 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 55.68 3mcu s PHE 152 Cb -0.10 -1.69 -0.09 0.00 0.51 0.00 0.00 43.02 41.65 3mcu s PHE 152 CO 0.03 0.02 1.23 0.14 0.70 0.00 0.00 175.22 177.34 3mcu s VAL 153 N -0.33 3.29 0.24 -0.44 -7.23 0.37 -4.73 120.40 111.57 3mcu s VAL 153 Ca 0.03 1.15 -0.29 0.00 -1.81 0.00 0.00 61.98 61.06 3mcu s VAL 153 Cb -0.13 -3.73 -0.15 0.00 0.56 0.00 0.00 36.38 32.93 3mcu s VAL 153 CO 0.02 0.22 0.91 -2.65 -0.31 0.00 0.00 175.10 173.29 3mcu n PRO 154 N 1.97 0.95 -4.00 4.82 -0.02 -1.26 -4.69 135.00 132.77 3mcu n PRO 154 Ca 0.03 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.75 3mcu n PRO 154 Cb 0.44 -1.63 -0.07 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.87 0.48 -0.00 6.00 -0.12 -0.50 -0.62 117.98 122.34 3mcu s PHE 155 Ca 0.63 -0.82 -0.09 0.00 -0.05 0.00 0.00 56.93 56.60 3mcu s PHE 155 Cb -0.80 -0.06 0.03 0.00 -0.63 0.00 0.00 43.02 41.56 3mcu s PHE 155 CO 0.58 -0.77 0.39 0.41 -0.05 0.00 0.00 175.22 175.77 3mcu n GLY 156 N -0.26 0.53 3.70 1.99 0.00 -0.88 -1.56 105.19 108.71 3mcu n GLY 156 Ca -0.05 -0.90 -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 -2.00 4.20 0.01 1.61 -0.21 -1.26 -1.49 119.66 120.52 3mcu s GLN 157 Ca 0.09 2.34 0.20 0.00 0.02 0.00 0.00 55.36 58.01 3mcu s GLN 157 Cb -0.00 -3.46 -0.20 0.00 1.00 0.00 0.00 33.01 30.34 3mcu s GLN 157 CO -0.00 -0.70 0.61 -0.40 -2.12 0.00 0.00 175.29 172.68 3mcu n ASP 158 N 5.10 0.40 -2.90 5.90 3.85 -1.24 -1.06 116.55 126.60 3mcu n ASP 158 Ca 0.15 0.17 -0.13 0.00 -0.71 0.00 0.00 54.79 54.27 3mcu n ASP 158 Cb 0.40 1.01 0.01 0.00 -1.35 0.00 0.00 41.12 41.19 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 -2.37 -0.27 0.03 2.12 0.00 -1.26 -4.54 120.51 114.21 3mcu n ALA 159 Ca -0.10 -1.95 0.20 0.00 0.00 0.00 0.00 53.44 51.59 3mcu n ALA 159 Cb 0.75 -1.19 0.70 0.00 0.00 0.00 0.00 19.45 19.71 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 4.24 0.00 0.00 0.00 0.11 -1.84 0.34 132.00 134.85 3mcu h PRO 160 Ca -0.04 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.84 3mcu h PRO 160 Cb 1.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3mcu h PRO 160 CO 0.32 0.00 -1.31 0.39 -0.21 0.00 0.00 178.00 177.19 3mcu n GLU 161 N -4.28 0.56 0.15 1.05 -0.58 -1.26 -3.79 120.64 112.48 3mcu n GLU 161 Ca 0.09 0.54 0.01 0.00 -0.42 0.00 0.00 57.16 57.39 3mcu n GLU 161 Cb 0.58 -1.72 0.15 0.00 -0.57 0.00 0.00 31.44 29.89 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 -1.00 0.00 -2.02 3.49 1.57 -1.94 -3.38 116.57 113.30 3mcu h LYS 162 Ca -0.35 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.87 3mcu h LYS 162 Cb 1.26 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.18 3mcu h LYS 162 CO -0.21 0.56 -1.07 1.63 -0.57 0.00 0.00 179.45 179.78 3mcu n LYS 163 N -3.47 0.83 -0.31 3.15 5.02 0.12 -5.03 118.16 118.46 3mcu n LYS 163 Ca 0.00 -3.32 0.10 0.00 -2.02 0.00 0.00 58.31 53.07 3mcu n LYS 163 Cb 0.66 -1.29 0.31 0.00 -0.02 0.00 0.00 35.03 34.69 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 4.03 0.81 -0.22 1.97 0.11 -1.66 -0.80 132.00 136.25 3mcu h PRO 164 Ca 0.08 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3mcu h PRO 164 Cb 0.86 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3mcu h PRO 164 CO 0.49 0.53 0.00 0.09 -0.21 0.00 0.00 178.00 178.90 3mcu n ASN 165 N -4.59 2.09 -4.14 -2.05 3.02 -1.26 -4.87 115.26 103.46 3mcu n ASN 165 Ca 0.18 -1.79 -0.30 0.00 -0.03 0.00 0.00 54.58 52.65 3mcu n ASN 165 Cb 0.42 -0.14 0.19 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.54 2.56 0.00 6.41 0.15 -0.31 -0.77 113.70 120.21 3mcu s SER 166 Ca 0.33 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.46 3mcu s SER 166 Cb 0.18 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 3mcu s SER 166 CO 0.27 -3.10 0.00 0.52 1.20 0.00 0.00 173.24 172.14 3mcu n VAL 168 N -4.05 0.00 -2.36 4.45 0.31 -0.55 -3.71 118.33 112.42 3mcu n VAL 168 Ca 0.13 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.10 3mcu n VAL 168 Cb 0.59 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.51 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 -1.05 2.91 1.09 3.52 0.00 -0.16 -2.08 121.76 126.00 3mcu s ALA 169 Ca 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 3mcu s ALA 169 Cb 0.00 -3.33 0.25 0.00 0.00 0.00 0.00 23.12 20.03 3mcu s ALA 169 CO 0.00 -0.54 1.20 1.03 0.00 0.00 0.00 175.76 177.45 3mcu s ARG 170 N -2.89 -0.36 0.00 0.00 0.52 0.20 -4.95 118.95 111.48 3mcu s ARG 170 Ca 0.65 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.65 3mcu s ARG 170 Cb -0.24 -1.71 0.00 0.00 0.52 0.00 0.00 34.95 33.52 3mcu s ARG 170 CO 0.29 -3.11 0.00 -0.85 0.02 0.00 0.00 175.30 171.65 3mcu n GLU 172 N -4.30 0.00 -0.31 3.54 0.00 -1.26 -4.09 120.64 114.21 3mcu n GLU 172 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.37 3mcu n GLU 172 Cb 0.59 0.00 0.22 0.00 0.00 0.00 0.00 31.44 32.25 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 2.85 0.23 -1.84 4.77 -1.26 -4.56 117.00 117.18 3mcu n LEU 173 Ca 0.00 -1.43 -0.15 0.00 -0.03 0.00 0.00 56.01 54.40 3mcu n LEU 173 Cb 0.00 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 40.63 3mcu n LEU 173 CO 0.00 0.60 0.67 0.25 -1.33 0.00 0.00 177.39 177.59 3mcu h LEU 174 N 2.71 -0.75 -0.46 2.23 6.46 -1.99 0.03 115.31 123.54 3mcu h LEU 174 Ca 0.00 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3mcu h LEU 174 Cb 0.81 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 3mcu h LEU 174 CO 0.07 -0.43 0.30 -0.33 -0.62 0.00 0.00 178.44 177.43 3mcu h GLU 175 N -0.66 0.61 -0.90 1.25 3.07 -1.96 -0.40 114.58 115.59 3mcu h GLU 175 Ca -0.03 -0.04 0.09 0.00 -0.50 0.00 0.00 59.36 58.88 3mcu h GLU 175 Cb 0.57 -0.14 -0.07 0.00 -0.84 0.00 0.00 28.75 28.27 3mcu h GLU 175 CO -0.01 0.42 0.55 -0.44 -1.40 0.00 0.00 179.01 178.13 3mcu h ASP 176 N 0.63 0.83 -0.04 1.42 3.45 -1.85 -1.17 116.42 119.70 3mcu h ASP 176 Ca 0.17 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 3mcu h ASP 176 Cb -0.06 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 38.57 3mcu h ASP 176 CO -0.04 0.49 0.02 0.74 -1.57 0.00 0.00 179.24 178.89 3mcu h THR 177 N 0.94 1.06 -0.20 0.35 2.02 0.57 -2.20 112.91 115.45 3mcu h THR 177 Ca 0.42 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.39 3mcu h THR 177 Cb 0.31 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3mcu h THR 177 CO -0.22 0.05 -0.12 -0.37 0.37 0.00 0.00 175.52 175.23 3mcu h VAL 178 N -0.01 1.19 -0.43 3.16 -1.51 -0.91 -0.75 116.25 117.00 3mcu h VAL 178 Ca 0.01 -0.84 -0.01 0.00 -1.23 0.00 0.00 66.70 64.63 3mcu h VAL 178 Cb 0.06 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 30.37 3mcu h VAL 178 CO -0.00 0.27 0.24 -0.07 -1.23 0.00 0.00 177.57 176.77 3mcu h LEU 179 N 0.31 0.53 -0.67 4.19 3.38 -0.87 -0.24 115.31 121.94 3mcu h LEU 179 Ca 0.06 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3mcu h LEU 179 Cb 0.40 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3mcu h LEU 179 CO 0.02 0.46 -0.00 -0.33 0.09 0.00 0.00 178.44 178.68 3mcu h GLU 180 N 0.56 1.02 -0.68 1.13 4.39 -1.15 -3.16 114.58 116.70 3mcu h GLU 180 Ca 0.15 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 3mcu h GLU 180 Cb 0.04 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 3mcu h GLU 180 CO -0.02 1.00 0.41 0.00 -1.16 0.00 0.00 179.01 179.24 3mcu h ALA 181 N 1.05 0.86 -0.00 3.43 0.00 -0.52 -0.27 119.26 123.80 3mcu h ALA 181 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mcu h ALA 181 Cb 0.55 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3mcu h ALA 181 CO 0.03 0.34 0.14 -0.07 0.00 0.00 0.00 179.25 179.69 3mcu h LEU 182 N 0.92 0.00 -2.49 0.00 3.38 -1.02 0.20 115.31 116.30 3mcu h LEU 182 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3mcu h LEU 182 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3mcu h LEU 182 CO -0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.48 3mcu n GLN 183 N -3.01 2.57 -2.61 1.13 6.02 -0.25 -4.95 117.38 116.29 3mcu n GLN 183 Ca -0.03 -2.40 -0.07 0.00 -0.01 0.00 0.00 57.00 54.49 3mcu n GLN 183 Cb 0.20 -1.52 0.02 0.00 1.02 0.00 0.00 30.24 29.96 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 1.50 0.34 3.12 1.08 0.00 0.70 -5.05 105.19 106.87 3mcu n GLY 184 Ca 0.21 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.05 0.92 -0.17 1.61 1.02 -0.41 -5.00 119.74 112.65 3mcu s LYS 185 Ca 0.13 -0.68 -0.21 0.00 0.02 0.00 0.00 55.97 55.23 3mcu s LYS 185 Cb -0.06 -0.91 -0.03 0.00 -0.52 0.00 0.00 37.83 36.32 3mcu s LYS 185 CO 0.16 0.23 0.62 -1.14 -0.92 0.00 0.00 175.35 174.29 3mcu s GLN 186 N -0.95 4.26 0.35 1.68 2.00 -1.26 -2.82 119.66 122.91 3mcu s GLN 186 Ca 0.02 0.62 -0.29 0.00 -2.00 0.00 0.00 55.36 53.72 3mcu s GLN 186 Cb -0.07 -3.54 -0.11 0.00 0.80 0.00 0.00 33.01 30.08 3mcu s GLN 186 CO 0.01 -0.15 1.52 -1.17 -0.50 0.00 0.00 175.29 175.00 3mcu s LEU 187 N 1.61 4.32 0.08 3.68 2.96 -1.26 -5.01 118.68 125.06 3mcu s LEU 187 Ca 0.29 3.04 0.09 0.00 -0.22 0.00 0.00 54.13 57.33 3mcu s LEU 187 Cb -0.16 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 42.84 3mcu s LEU 187 CO 0.11 -0.90 -0.23 -1.10 -1.32 0.00 0.00 176.35 172.92 3mcu s GLN 188 N -1.66 1.36 0.34 1.98 -1.52 -1.26 -3.70 119.66 115.21 3mcu s GLN 188 Ca 0.56 -1.12 -0.26 0.00 -1.95 0.00 0.00 55.36 52.58 3mcu s GLN 188 Cb -0.47 -1.61 -0.09 0.00 -0.22 0.00 0.00 33.01 30.61 3mcu s GLN 188 CO 0.59 0.39 1.06 -1.25 -0.25 0.00 0.00 175.29 175.83 3mcu s PRO 189 N -1.61 4.39 0.16 2.91 0.04 -1.26 -5.11 135.00 134.52 3mcu s PRO 189 Ca 0.09 1.61 0.23 0.00 0.04 0.00 0.00 61.00 62.96 3mcu s PRO 189 Cb -0.10 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 3mcu s PRO 189 CO 0.04 0.04 0.98 1.55 0.04 0.00 0.00 177.00 179.65 3mcu n VAL 190 N 0.50 0.51 -3.85 -0.36 3.14 -1.24 -4.72 118.33 112.30 3mcu n VAL 190 Ca 0.02 -0.52 -0.36 0.00 -2.96 0.00 0.00 64.34 60.53 3mcu n VAL 190 Cb 0.48 -0.26 -0.13 0.00 -1.06 0.00 0.00 33.84 32.87 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 -3.37 3.47 0.25 1.55 1.01 -1.26 -1.41 120.40 120.64 3mcu s VAL 191 Ca -0.01 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3mcu s VAL 191 Cb 0.10 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3mcu s VAL 191 CO 0.80 0.09 0.06 0.68 0.00 0.00 0.00 175.10 176.73 3mcu s VAL 192 N 1.41 0.75 -1.26 2.92 -7.23 -0.60 -4.96 120.40 111.44 3mcu s VAL 192 Ca 0.01 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.05 3mcu s VAL 192 Cb -0.17 -2.54 0.15 0.00 0.56 0.00 0.00 36.38 34.38 3mcu s VAL 192 CO -0.00 -0.13 1.66 -0.62 -0.31 0.00 0.00 175.10 175.70 3mcu n GLU 193 N -0.46 3.40 -0.15 4.82 1.02 -1.26 -3.88 120.64 124.13 3mcu n GLU 193 Ca -0.02 -3.61 0.26 0.00 -0.02 0.00 0.00 57.16 53.76 3mcu n GLU 193 Cb 0.65 -3.07 0.70 0.00 -0.02 0.00 0.00 31.44 29.70 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 6.67 0.04 0.00 3.49 1.63 -1.81 -0.34 116.57 126.25 3mcu h LYS 194 Ca 0.37 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 3mcu h LYS 194 Cb 0.78 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 3mcu h LYS 194 CO 1.43 0.03 0.00 1.97 -3.45 0.00 0.00 179.45 179.43 3mcu n PHE 195 N -4.31 0.00 1.19 1.91 1.16 -0.23 -1.62 117.46 115.56 3mcu n PHE 195 Ca 0.17 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.88 3mcu n PHE 195 Cb 0.87 -0.49 0.26 0.00 -1.61 0.00 0.00 39.48 38.51 3mcu n PHE 195 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3mcu n ARG 196 N -1.49 2.04 0.00 3.97 1.74 -0.14 -5.03 116.66 117.75 3mcu n ARG 196 Ca 0.03 -1.53 0.00 0.00 -0.77 0.00 0.00 57.85 55.58 3mcu n ARG 196 Cb 0.13 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3mcu n ARG 196 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77