#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 0.59 -4.66 2.46 7.99 -1.26 -4.83 117.00 117.29 3mcu n LEU 3 Ca 0.00 -0.20 -0.42 0.00 -0.01 0.00 0.00 56.01 55.37 3mcu n LEU 3 Cb 0.00 -0.01 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 3mcu n LEU 3 CO 0.00 0.10 1.43 -0.75 -1.51 0.00 0.00 177.39 176.66 3mcu s LYS 4 N -1.99 4.17 0.00 3.23 2.20 -1.20 -2.14 119.74 124.00 3mcu s LYS 4 Ca 0.42 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 3mcu s LYS 4 Cb 0.21 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 3mcu s LYS 4 CO 0.34 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 3mcu n GLY 5 N 4.23 0.80 3.75 5.54 0.00 -0.56 -4.97 105.19 113.98 3mcu n GLY 5 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.08 4.12 -0.34 1.61 -0.14 -0.91 -4.95 119.74 119.05 3mcu s LYS 6 Ca 0.00 0.01 -0.25 0.00 -1.36 0.00 0.00 55.97 54.37 3mcu s LYS 6 Cb 0.00 -3.38 0.01 0.00 -1.68 0.00 0.00 37.83 32.78 3mcu s LYS 6 CO 0.00 0.35 0.86 0.50 -0.76 0.00 0.00 175.35 176.31 3mcu s ARG 7 N 0.15 3.88 -0.15 1.68 3.52 -1.26 -2.08 118.95 124.69 3mcu s ARG 7 Ca 0.15 0.57 0.01 0.00 -0.13 0.00 0.00 55.73 56.32 3mcu s ARG 7 Cb -0.13 -3.77 0.02 0.00 -1.56 0.00 0.00 34.95 29.51 3mcu s ARG 7 CO 0.03 -0.83 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.02 3mcu s ILE 8 N 3.24 1.72 0.41 4.11 -1.16 0.86 -0.53 121.20 129.85 3mcu s ILE 8 Ca 0.35 -0.73 -0.23 0.00 -0.51 0.00 0.00 60.65 59.53 3mcu s ILE 8 Cb -0.13 -1.59 -0.09 0.00 0.61 0.00 0.00 42.46 41.26 3mcu s ILE 8 CO 0.16 0.48 1.03 -0.83 -2.81 0.00 0.00 174.94 172.97 3mcu s GLY 9 N 1.35 2.67 -0.19 1.50 0.00 0.04 -1.36 107.32 111.33 3mcu s GLY 9 Ca 0.03 0.64 -0.05 0.00 0.00 0.00 0.00 44.72 45.35 3mcu s GLY 9 CO -0.10 1.04 0.10 -0.12 0.00 0.00 0.00 173.10 174.02 3mcu s PHE 10 N -1.76 0.22 0.03 1.90 5.36 0.12 -0.37 117.98 123.47 3mcu s PHE 10 Ca 0.59 -0.41 0.02 0.00 -0.96 0.00 0.00 56.93 56.17 3mcu s PHE 10 Cb -0.20 -0.73 -0.04 0.00 -0.34 0.00 0.00 43.02 41.72 3mcu s PHE 10 CO 0.25 -0.56 0.05 0.20 -1.46 0.00 0.00 175.22 173.69 3mcu s GLY 11 N 2.13 1.96 -0.10 13.12 0.00 0.10 -1.06 107.32 123.48 3mcu s GLY 11 Ca 0.03 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.82 3mcu s GLY 11 CO -0.14 -0.86 -0.18 -1.36 0.00 0.00 0.00 173.10 170.56 3mcu s PHE 12 N -1.21 2.12 0.23 1.90 0.40 -0.73 -1.77 117.98 118.93 3mcu s PHE 12 Ca 0.24 -0.92 0.10 0.00 -0.60 0.00 0.00 56.93 55.75 3mcu s PHE 12 Cb -0.12 -1.48 -0.05 0.00 0.51 0.00 0.00 43.02 41.89 3mcu s PHE 12 CO 0.15 -0.43 -0.19 0.95 0.70 0.00 0.00 175.22 176.40 3mcu s THR 13 N 0.67 2.17 0.00 0.64 -4.23 -1.20 -2.51 115.64 111.19 3mcu s THR 13 Ca -0.13 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.16 3mcu s THR 13 Cb -0.16 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.54 3mcu s THR 13 CO 0.03 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 3mcu n GLY 14 N -0.27 -1.85 3.16 3.99 0.00 -1.26 -4.64 105.19 104.32 3mcu n GLY 14 Ca -0.08 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3mcu n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mcu n SER 15 N 0.38 -4.17 0.04 1.61 2.88 -1.26 -4.95 113.62 108.14 3mcu n SER 15 Ca 0.00 0.19 -0.20 0.00 -1.33 0.00 0.00 58.87 57.52 3mcu n SER 15 Cb 0.00 -0.89 -0.14 0.00 -0.75 0.00 0.00 64.21 62.42 3mcu n SER 15 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 3mcu h HIS 16 N -1.26 0.50 0.00 0.66 -0.00 -2.02 -3.32 115.15 109.70 3mcu h HIS 16 Ca -0.44 -0.36 0.00 0.00 -0.00 0.00 0.00 60.37 59.57 3mcu h HIS 16 Cb 1.31 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 3mcu h HIS 16 CO 0.24 1.35 0.00 0.00 -0.00 0.00 0.00 177.93 179.52 3mcu n THR 18 N -0.96 0.00 -1.83 0.00 -1.04 -1.25 -3.89 114.28 105.31 3mcu n THR 18 Ca 0.10 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.05 3mcu n THR 18 Cb 0.05 -0.14 0.13 0.00 -1.82 0.00 0.00 70.33 68.54 3mcu n THR 18 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3mcu n TYR 19 N -0.58 1.10 1.45 -1.42 4.01 -1.24 -4.30 117.16 116.19 3mcu n TYR 19 Ca 0.03 -1.76 0.15 0.00 -0.16 0.00 0.00 57.90 56.16 3mcu n TYR 19 Cb 0.01 -0.28 0.77 0.00 -0.31 0.00 0.00 39.34 39.53 3mcu n TYR 19 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 3mcu n GLU 20 N -0.89 0.46 -0.11 -0.72 -0.00 -1.25 -4.07 120.64 114.06 3mcu n GLU 20 Ca 0.28 0.00 -0.24 0.00 -0.00 0.00 0.00 57.16 57.20 3mcu n GLU 20 Cb 0.82 -1.50 -0.11 0.00 -0.00 0.00 0.00 31.44 30.64 3mcu n GLU 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3mcu n GLU 21 N -1.27 0.62 -2.57 3.44 1.02 -1.26 -4.86 120.64 115.75 3mcu n GLU 21 Ca 0.15 0.32 -0.43 0.00 -0.02 0.00 0.00 57.16 57.18 3mcu n GLU 21 Cb 0.23 -1.59 0.01 0.00 -0.02 0.00 0.00 31.44 30.07 3mcu n GLU 21 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3mcu n VAL 22 N -3.98 4.63 0.00 2.62 0.24 -1.26 -4.57 118.33 116.00 3mcu n VAL 22 Ca -0.44 -4.87 0.00 0.00 -2.04 0.00 0.00 64.34 56.99 3mcu n VAL 22 Cb 0.88 -2.29 0.00 0.00 -1.47 0.00 0.00 33.84 30.96 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 3.21 0.00 0.01 7.34 -0.02 -1.26 -2.58 135.00 141.69 3mcu n PRO 24 Ca 0.35 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.65 3mcu n PRO 24 Cb 0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.74 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 0.80 -0.43 6.00 3.86 -1.99 0.35 115.15 123.74 3mcu h HIS 25 Ca 0.00 -0.41 0.07 0.00 -1.16 0.00 0.00 60.37 58.87 3mcu h HIS 25 Cb 0.00 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.31 3mcu h HIS 25 CO 0.00 1.23 0.09 -0.07 0.86 0.00 0.00 177.93 180.04 3mcu h LEU 26 N 0.15 0.02 0.11 2.43 3.38 -1.91 -0.74 115.31 118.75 3mcu h LEU 26 Ca -0.08 0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3mcu h LEU 26 Cb 1.40 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.21 3mcu h LEU 26 CO 0.15 0.05 -0.29 -0.08 0.09 0.00 0.00 178.44 178.35 3mcu h GLU 27 N 0.23 -0.48 -0.36 1.13 4.57 -1.79 -0.40 114.58 117.48 3mcu h GLU 27 Ca 0.21 0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 3mcu h GLU 27 Cb 0.26 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 3mcu h GLU 27 CO -0.27 -0.32 0.22 0.87 -1.18 0.00 0.00 179.01 178.32 3mcu h LYS 28 N -0.50 0.43 -0.48 1.92 1.57 -0.08 0.43 116.57 119.85 3mcu h LYS 28 Ca 0.03 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3mcu h LYS 28 Cb 0.54 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 3mcu h LYS 28 CO -0.18 0.28 0.26 -0.07 -0.57 0.00 0.00 179.45 179.18 3mcu h LEU 29 N 0.44 0.41 0.12 2.94 3.38 -0.92 -0.81 115.31 120.86 3mcu h LEU 29 Ca 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3mcu h LEU 29 Cb -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3mcu h LEU 29 CO -0.06 0.29 -0.06 0.40 0.09 0.00 0.00 178.44 179.10 3mcu h ILE 30 N 0.52 1.03 -0.88 1.22 2.04 -0.74 -2.15 117.51 118.56 3mcu h ILE 30 Ca 0.20 -0.65 0.26 0.00 1.00 0.00 0.00 64.86 65.67 3mcu h ILE 30 Cb 0.07 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3mcu h ILE 30 CO -0.12 0.15 0.68 0.00 0.00 0.00 0.00 178.15 178.87 3mcu h ALA 31 N 0.36 2.78 -0.01 1.87 0.00 -0.77 0.54 119.26 124.04 3mcu h ALA 31 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mcu h ALA 31 Cb 0.38 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3mcu h ALA 31 CO 0.03 -1.14 0.00 -1.91 0.00 0.00 0.00 179.25 176.23 3mcu n GLU 32 N -4.09 1.17 -0.63 0.00 4.07 -0.32 -4.89 120.64 115.95 3mcu n GLU 32 Ca 0.18 -0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 3mcu n GLU 32 Cb 0.99 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.91 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 1.02 1.11 3.73 8.31 0.00 0.19 -3.28 105.19 116.27 3mcu n GLY 33 Ca 0.21 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 3.43 -0.33 4.61 0.00 -1.13 -1.50 121.76 124.84 3mcu s ALA 34 Ca 0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 51.96 50.66 3mcu s ALA 34 Cb 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 3mcu s ALA 34 CO 0.00 0.69 0.65 -2.00 0.00 0.00 0.00 175.76 175.11 3mcu s GLU 35 N -2.45 3.79 -0.25 0.00 2.12 -0.88 -4.46 118.70 116.57 3mcu s GLU 35 Ca 0.28 0.20 -0.09 0.00 0.36 0.00 0.00 54.97 55.72 3mcu s GLU 35 Cb -0.12 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 3mcu s GLU 35 CO 0.20 -0.67 0.12 0.08 -0.54 0.00 0.00 175.26 174.45 3mcu s VAL 36 N 2.71 4.84 -0.35 3.70 1.01 -1.26 -0.10 120.40 130.95 3mcu s VAL 36 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 3mcu s VAL 36 Cb -0.15 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.99 3mcu s VAL 36 CO 0.14 0.33 0.19 -0.13 0.00 0.00 0.00 175.10 175.63 3mcu s ARG 37 N 1.40 3.03 0.27 2.72 1.81 -0.46 -4.77 118.95 122.95 3mcu s ARG 37 Ca 0.06 -0.94 -0.27 0.00 -1.72 0.00 0.00 55.73 52.87 3mcu s ARG 37 Cb -0.15 -3.69 -0.09 0.00 -0.45 0.00 0.00 34.95 30.57 3mcu s ARG 37 CO 0.06 -0.60 0.90 -2.14 -0.68 0.00 0.00 175.30 172.84 3mcu s PRO 38 N 1.59 4.63 -0.02 3.54 0.02 -1.26 -0.70 135.00 142.79 3mcu s PRO 38 Ca 0.03 1.31 0.01 0.00 0.02 0.00 0.00 61.00 62.38 3mcu s PRO 38 Cb -0.18 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.34 3mcu s PRO 38 CO 0.07 0.40 -0.05 0.54 -0.33 0.00 0.00 177.00 177.63 3mcu s VAL 39 N -1.42 0.46 -0.08 3.83 0.11 -0.22 -1.51 120.40 121.57 3mcu s VAL 39 Ca 0.45 -0.16 0.05 0.00 -2.93 0.00 0.00 61.98 59.39 3mcu s VAL 39 Cb -0.21 -0.44 -0.00 0.00 -1.53 0.00 0.00 36.38 34.19 3mcu s VAL 39 CO 0.26 0.17 -0.24 0.68 -3.33 0.00 0.00 175.10 172.64 3mcu s VAL 40 N 0.40 2.05 -1.16 2.04 -7.23 -0.36 -1.77 120.40 114.38 3mcu s VAL 40 Ca -0.05 -1.04 0.13 0.00 -1.81 0.00 0.00 61.98 59.21 3mcu s VAL 40 Cb -0.08 -1.76 0.15 0.00 0.56 0.00 0.00 36.38 35.25 3mcu s VAL 40 CO -0.00 0.56 1.39 -1.54 -0.31 0.00 0.00 175.10 175.20 3mcu n SER 41 N 3.26 0.00 -3.98 4.85 3.41 -1.04 -4.44 113.62 115.67 3mcu n SER 41 Ca -0.18 0.35 -0.24 0.00 -0.26 0.00 0.00 58.87 58.54 3mcu n SER 41 Cb 0.53 -0.42 -0.17 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.84 1.30 -0.37 7.33 2.02 -1.26 -4.74 117.35 118.78 3mcu s TYR 42 Ca 0.08 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 3mcu s TYR 42 Cb 0.09 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 3mcu s TYR 42 CO 0.22 -0.29 0.00 2.41 -1.57 0.00 0.00 175.55 176.32 3mcu n THR 43 N 4.02 0.00 -2.33 -0.71 -1.04 -1.24 -4.94 114.28 108.04 3mcu n THR 43 Ca -0.22 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.69 3mcu n THR 43 Cb 0.51 -0.25 -0.01 0.00 -1.82 0.00 0.00 70.33 68.77 3mcu n THR 43 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mcu n ALA 55 N 0.72 -0.75 -1.51 2.41 0.00 -1.26 -5.04 120.51 115.07 3mcu n ALA 55 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 3mcu n ALA 55 Cb 0.00 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 3mcu n ALA 55 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3mcu n GLU 56 N -2.63 3.32 0.18 0.00 4.07 -1.26 -4.40 120.64 119.93 3mcu n GLU 56 Ca -0.12 -2.41 0.13 0.00 -0.06 0.00 0.00 57.16 54.71 3mcu n GLU 56 Cb 0.56 -2.42 0.65 0.00 -0.06 0.00 0.00 31.44 30.17 3mcu n GLU 56 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 3mcu h TRP 57 N 3.96 0.00 0.06 4.31 2.91 -2.01 -2.10 115.95 123.07 3mcu h TRP 57 Ca 0.56 0.00 -0.29 0.00 1.13 0.00 0.00 58.89 60.29 3mcu h TRP 57 Cb 0.64 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.27 3mcu h TRP 57 CO 1.67 0.00 -1.54 0.97 -1.03 0.00 0.00 178.44 178.51 3mcu h ILE 58 N 0.00 1.10 -0.08 2.65 -0.00 -2.00 -3.17 117.51 116.00 3mcu h ILE 58 Ca 0.00 -2.83 0.02 0.00 -0.00 0.00 0.00 64.86 62.06 3mcu h ILE 58 Cb 0.10 2.64 -0.00 0.00 -0.00 0.00 0.00 36.82 39.56 3mcu h ILE 58 CO 0.00 0.75 0.06 0.11 -0.00 0.00 0.00 178.15 179.07 3mcu h LYS 59 N 0.04 0.00 0.04 2.19 1.79 -1.73 -1.76 116.57 117.12 3mcu h LYS 59 Ca -0.23 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.98 3mcu h LYS 59 Cb 1.98 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.64 3mcu h LYS 59 CO 0.12 0.00 -1.05 -0.22 -1.08 0.00 0.00 179.45 177.22 3mcu h LYS 60 N 0.00 0.49 -0.04 3.15 3.64 -1.57 -2.04 116.57 120.20 3mcu h LYS 60 Ca 0.04 -0.57 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 3mcu h LYS 60 Cb 0.16 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3mcu h LYS 60 CO -0.00 1.21 -0.11 0.82 -2.27 0.00 0.00 179.45 179.10 3mcu h ILE 61 N 0.25 0.72 0.00 2.00 2.04 -1.33 1.61 117.51 122.80 3mcu h ILE 61 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3mcu h ILE 61 Cb 1.71 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3mcu h ILE 61 CO 0.19 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.72 3mcu n GLU 62 N -5.24 0.16 -0.07 2.37 1.02 -0.79 -1.88 120.64 116.21 3mcu n GLU 62 Ca -0.05 0.54 -0.07 0.00 -0.02 0.00 0.00 57.16 57.56 3mcu n GLU 62 Cb 0.16 -1.90 -0.03 0.00 -0.02 0.00 0.00 31.44 29.64 3mcu n GLU 62 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3mcu h GLU 63 N 0.00 0.00 -0.85 3.49 4.81 0.03 -3.33 114.58 118.73 3mcu h GLU 63 Ca 0.00 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 3mcu h GLU 63 Cb 0.15 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.38 3mcu h GLU 63 CO 0.00 0.21 -0.11 0.82 -0.73 0.00 0.00 179.01 179.20 3mcu h ILE 64 N -1.00 0.18 -1.88 2.32 2.04 0.24 -3.38 117.51 116.02 3mcu h ILE 64 Ca -0.06 -0.01 -0.46 0.00 1.00 0.00 0.00 64.86 65.33 3mcu h ILE 64 Cb 0.56 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3mcu h ILE 64 CO -0.03 0.01 -0.40 0.28 0.00 0.00 0.00 178.15 178.00 3mcu s THR 65 N -6.17 4.06 -0.58 -0.27 -1.32 -0.79 -5.03 115.64 105.54 3mcu s THR 65 Ca -0.14 -1.14 -0.02 0.00 -1.21 0.00 0.00 61.69 59.18 3mcu s THR 65 Cb 0.24 -3.39 0.39 0.00 -1.51 0.00 0.00 72.50 68.23 3mcu s THR 65 CO 0.76 -0.19 2.04 0.61 -2.21 0.00 0.00 174.62 175.63 3mcu n GLY 66 N -1.50 5.42 2.97 6.08 0.00 -1.26 -4.52 105.19 112.38 3mcu n GLY 66 Ca -0.02 -2.00 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.31 0.51 0.25 1.61 0.08 -1.25 -5.10 117.98 110.76 3mcu s PHE 67 Ca 0.56 -0.14 -0.30 0.00 0.12 0.00 0.00 56.93 57.18 3mcu s PHE 67 Cb 0.44 -0.33 -0.09 0.00 -0.57 0.00 0.00 43.02 42.47 3mcu s PHE 67 CO -0.02 -0.02 1.30 0.15 -0.10 0.00 0.00 175.22 176.54 3mcu s LYS 68 N -0.30 4.39 -0.10 0.44 3.01 -1.26 -4.42 119.74 121.51 3mcu s LYS 68 Ca 0.01 2.10 -0.30 0.00 -1.01 0.00 0.00 55.97 56.77 3mcu s LYS 68 Cb -0.03 -3.15 -0.03 0.00 -1.01 0.00 0.00 37.83 33.61 3mcu s LYS 68 CO -0.00 -0.20 1.38 0.00 0.51 0.00 0.00 175.35 177.03 3mcu s ALA 69 N -0.39 3.62 0.08 5.17 0.00 -1.26 -4.74 121.76 124.24 3mcu s ALA 69 Ca 0.53 0.67 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 3mcu s ALA 69 Cb -0.38 -3.64 -0.10 0.00 0.00 0.00 0.00 23.12 19.01 3mcu s ALA 69 CO 0.43 -1.14 1.89 -0.89 0.00 0.00 0.00 175.76 176.05 3mcu n ILE 70 N 5.19 0.53 -0.60 0.00 5.41 -0.57 -4.82 119.36 124.50 3mcu n ILE 70 Ca 0.14 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.80 3mcu n ILE 70 Cb 0.44 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 3mcu n ILE 70 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3mcu n ASN 71 N 6.38 0.69 -4.19 4.38 0.23 -1.26 -1.23 115.26 120.26 3mcu n ASN 71 Ca 0.19 -1.29 -0.15 0.00 -0.53 0.00 0.00 54.58 52.80 3mcu n ASN 71 Cb 0.38 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.97 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 -0.29 1.58 0.27 0.53 1.04 -1.26 -3.66 113.70 111.91 3mcu s SER 72 Ca 0.00 -0.79 -0.00 0.00 0.48 0.00 0.00 55.95 55.64 3mcu s SER 72 Cb 0.00 -0.01 0.50 0.00 0.10 0.00 0.00 66.02 66.61 3mcu s SER 72 CO 0.00 -0.22 1.84 0.40 0.98 0.00 0.00 173.24 176.25 3mcu h ILE 73 N 3.64 0.96 -0.32 -1.02 2.04 -1.90 -2.05 117.51 118.85 3mcu h ILE 73 Ca -0.38 -0.35 -0.15 0.00 1.00 0.00 0.00 64.86 64.98 3mcu h ILE 73 Cb 1.19 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3mcu h ILE 73 CO 0.51 0.19 -0.39 0.58 0.00 0.00 0.00 178.15 179.03 3mcu h VAL 74 N 1.02 1.28 0.00 1.67 2.07 -1.98 -1.77 116.25 118.55 3mcu h VAL 74 Ca 0.47 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3mcu h VAL 74 Cb 0.40 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3mcu h VAL 74 CO -0.24 0.51 0.00 1.23 0.02 0.00 0.00 177.57 179.09 3mcu h GLY 75 N 0.91 0.00 0.99 2.17 0.00 -1.84 -2.95 103.07 102.35 3mcu h GLY 75 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.09 3mcu h GLY 75 CO 0.09 0.00 -1.70 0.00 0.00 0.00 0.00 176.54 174.92 3mcu h ALA 76 N 2.01 0.74 -0.75 3.60 0.00 -0.66 -3.39 119.26 120.81 3mcu h ALA 76 Ca 0.00 -1.45 0.11 0.00 0.00 0.00 0.00 54.91 53.58 3mcu h ALA 76 Cb 0.22 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3mcu h ALA 76 CO 0.00 1.56 0.36 0.93 0.00 0.00 0.00 179.25 182.10 3mcu h GLU 77 N 0.00 0.56 0.00 0.00 5.08 -1.19 -1.24 114.58 117.79 3mcu h GLU 77 Ca -0.29 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3mcu h GLU 77 Cb 2.01 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.13 3mcu h GLU 77 CO 0.08 0.37 0.09 -1.35 -1.00 0.00 0.00 179.01 177.20 3mcu h PRO 78 N 0.57 0.00 0.00 2.33 0.11 -1.75 0.85 132.00 134.11 3mcu h PRO 78 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3mcu h PRO 78 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3mcu h PRO 78 CO -0.32 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.75 3mcu n LEU 79 N -2.32 0.44 -0.00 2.35 4.32 -0.47 -1.33 117.00 119.99 3mcu n LEU 79 Ca -0.01 0.68 -0.00 0.00 -0.02 0.00 0.00 56.01 56.65 3mcu n LEU 79 Cb 0.12 -0.70 -0.00 0.00 -1.62 0.00 0.00 43.42 41.22 3mcu n LEU 79 CO 0.10 -0.75 -0.00 1.23 -1.22 0.00 0.00 177.39 176.75 3mcu h GLY 80 N 0.59 0.00 0.81 -0.72 0.00 -1.01 -3.31 103.07 99.43 3mcu h GLY 80 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3mcu h GLY 80 CO 0.00 0.00 -1.49 -1.55 0.00 0.00 0.00 176.54 173.50 3mcu n PRO 81 N -2.16 0.63 -0.12 4.80 -0.04 -1.21 -4.49 135.00 132.41 3mcu n PRO 81 Ca -0.00 0.15 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 3mcu n PRO 81 Cb 0.00 -1.76 -0.08 0.00 -0.04 0.00 0.00 33.50 31.63 3mcu n PRO 81 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3mcu n LYS 82 N -2.78 0.52 -3.44 0.54 5.02 -0.45 -4.78 118.16 112.79 3mcu n LYS 82 Ca -0.10 0.23 -0.27 0.00 -2.02 0.00 0.00 58.31 56.15 3mcu n LYS 82 Cb 0.79 -1.39 -0.08 0.00 -0.02 0.00 0.00 35.03 34.33 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 -4.19 2.17 -1.92 -0.18 -5.35 -0.44 -5.03 119.36 104.41 3mcu n ILE 83 Ca -0.41 -5.14 -0.39 0.00 -0.27 0.00 0.00 62.75 56.54 3mcu n ILE 83 Cb 0.76 -2.10 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 -2.36 3.51 0.35 6.28 0.04 -1.24 -4.48 135.00 137.09 3mcu s PRO 84 Ca 0.39 2.17 -0.04 0.00 0.04 0.00 0.00 61.00 63.56 3mcu s PRO 84 Cb 0.14 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3mcu s PRO 84 CO -0.03 -0.87 0.61 -0.51 0.04 0.00 0.00 177.00 176.24 3mcu s LEU 85 N -3.08 3.95 0.13 -3.56 1.43 -1.26 -4.90 118.68 111.40 3mcu s LEU 85 Ca 0.65 0.71 0.18 0.00 -1.03 0.00 0.00 54.13 54.64 3mcu s LEU 85 Cb -0.38 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.20 3mcu s LEU 85 CO 0.47 -0.30 0.98 0.44 0.23 0.00 0.00 176.35 178.17 3mcu h ASP 86 N 1.15 0.00 0.00 2.29 3.32 -1.19 -3.48 116.42 118.51 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 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3mcu h ASP 86 CO 0.64 0.46 0.00 0.00 -1.72 0.00 0.00 179.24 178.62 3mcu s VAL 89 N -2.50 0.00 -0.27 0.00 1.01 0.50 -0.78 120.40 118.36 3mcu s VAL 89 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3mcu s VAL 89 Cb 0.00 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.45 3mcu s VAL 89 CO 0.00 0.00 -0.03 -0.63 0.00 0.00 0.00 175.10 174.44 3mcu s ILE 90 N 0.25 1.80 -0.14 2.22 1.01 -0.06 0.02 121.20 126.31 3mcu s ILE 90 Ca 0.03 -1.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.03 3mcu s ILE 90 Cb -0.05 -2.11 0.07 0.00 0.01 0.00 0.00 42.46 40.38 3mcu s ILE 90 CO -0.06 -0.25 0.27 0.00 0.00 0.00 0.00 174.94 174.90 3mcu s ALA 91 N 1.23 -0.57 0.68 9.38 0.00 -0.73 -1.92 121.76 129.83 3mcu s ALA 91 Ca -0.01 0.92 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 3mcu s ALA 91 Cb -0.19 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 21.89 3mcu s ALA 91 CO -0.08 -0.69 1.05 -1.25 0.00 0.00 0.00 175.76 174.79 3mcu s PRO 92 N 2.43 2.77 -0.35 0.00 0.04 -1.26 -4.59 135.00 134.04 3mcu s PRO 92 Ca 0.02 0.27 -0.06 0.00 0.04 0.00 0.00 61.00 61.26 3mcu s PRO 92 Cb -0.12 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.37 3mcu s PRO 92 CO -0.09 -1.00 0.11 -1.17 0.04 0.00 0.00 177.00 174.89 3mcu s LEU 93 N -5.27 4.39 0.91 -3.56 1.98 -0.38 -3.22 118.68 113.53 3mcu s LEU 93 Ca 0.57 -1.23 -0.12 0.00 -2.89 0.00 0.00 54.13 50.47 3mcu s LEU 93 Cb -0.11 -1.86 0.14 0.00 0.66 0.00 0.00 46.19 45.02 3mcu s LEU 93 CO 0.49 -0.35 1.10 0.42 -1.89 0.00 0.00 176.35 176.12 3mcu s THR 94 N 1.38 2.45 0.31 3.68 -4.23 -1.26 -2.00 115.64 115.96 3mcu s THR 94 Ca -0.01 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.66 3mcu s THR 94 Cb -0.20 -2.72 0.15 0.00 1.34 0.00 0.00 72.50 71.07 3mcu s THR 94 CO 0.02 -0.19 1.84 1.23 -0.54 0.00 0.00 174.62 176.98 3mcu h GLY 95 N -1.57 0.71 0.92 3.99 0.00 -1.96 -2.85 103.07 102.32 3mcu h GLY 95 Ca -0.51 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.38 3mcu h GLY 95 CO 0.57 0.40 0.12 -0.57 0.00 0.00 0.00 176.54 177.06 3mcu h ASN 96 N 0.64 0.38 0.00 0.19 -1.24 -1.94 -1.89 115.58 111.72 3mcu h ASN 96 Ca 0.14 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3mcu h ASN 96 Cb 0.33 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.28 3mcu h ASN 96 CO 0.01 0.43 0.00 -1.20 -1.29 0.00 0.00 177.43 175.37 3mcu n SER 97 N -4.77 2.17 0.00 1.15 7.64 -1.08 -1.71 113.62 117.02 3mcu n SER 97 Ca -0.02 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.49 3mcu n SER 97 Cb 0.12 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 1.12 0.00 -0.25 6.43 2.88 -0.71 -0.67 113.62 122.42 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 0.28 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.78 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 1.04 -0.54 -1.46 1.57 -1.59 -1.84 116.57 113.75 3mcu h LYS 100 Ca 0.00 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 3mcu h LYS 100 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3mcu h LYS 100 CO 0.00 0.87 0.08 0.35 -0.57 0.00 0.00 179.45 180.18 3mcu h PHE 101 N 0.99 0.95 -0.12 -1.35 3.57 -1.16 -1.74 116.94 118.07 3mcu h PHE 101 Ca 0.23 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3mcu h PHE 101 Cb 0.22 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3mcu h PHE 101 CO 0.02 0.85 -0.10 0.00 -2.23 0.00 0.00 178.31 176.85 3mcu h ALA 102 N 0.98 1.61 -0.26 2.41 0.00 -1.75 -2.09 119.26 120.18 3mcu h ALA 102 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mcu h ALA 102 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3mcu h ALA 102 CO 0.01 0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.64 3mcu n ASN 103 N -4.33 2.41 -2.13 0.00 4.13 -0.71 -4.98 115.26 109.65 3mcu n ASN 103 Ca -0.01 -1.84 -0.02 0.00 1.68 0.00 0.00 54.58 54.39 3mcu n ASN 103 Cb 0.23 -0.16 -0.02 0.00 -1.54 0.00 0.00 39.78 38.29 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 0.81 -3.37 -1.99 5.41 0.00 -0.69 -5.05 120.51 115.64 3mcu n ALA 104 Ca 0.17 1.01 -0.01 0.00 0.00 0.00 0.00 53.44 54.62 3mcu n ALA 104 Cb 0.44 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 0.76 0.00 0.03 0.00 -2.24 -1.26 -5.03 114.28 106.55 3mcu n THR 106 Ca -0.16 -0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3mcu n THR 106 Cb 0.25 0.28 0.06 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.08 3.79 -3.67 3.42 5.68 -1.26 -4.75 116.55 119.69 3mcu n ASP 107 Ca -0.03 -2.63 -0.13 0.00 -0.50 0.00 0.00 54.79 51.51 3mcu n ASP 107 Cb 0.41 -0.70 -0.06 0.00 -1.14 0.00 0.00 41.12 39.62 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 0.27 -0.29 0.33 -1.12 1.04 -1.26 -5.03 113.70 107.64 3mcu s SER 108 Ca 0.21 0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.71 3mcu s SER 108 Cb 0.17 0.42 0.69 0.00 0.10 0.00 0.00 66.02 67.40 3mcu s SER 108 CO 0.03 -0.65 1.89 -0.65 0.98 0.00 0.00 173.24 174.84 3mcu h PRO 109 N 3.05 0.81 -0.33 4.02 0.11 -1.83 -2.23 132.00 135.61 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 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3mcu h PRO 109 CO 0.43 0.54 -0.19 0.28 -0.21 0.00 0.00 178.00 178.85 3mcu h VAL 110 N 0.84 1.29 0.00 3.15 2.07 -1.89 -0.95 116.25 120.76 3mcu h VAL 110 Ca 0.42 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3mcu h VAL 110 Cb 0.47 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3mcu h VAL 110 CO -0.18 0.43 0.00 0.18 0.02 0.00 0.00 177.57 178.02 3mcu n LEU 111 N -4.31 0.91 0.00 2.57 4.77 -0.84 -1.96 117.00 118.14 3mcu n LEU 111 Ca -0.03 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3mcu n LEU 111 Cb 0.41 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3mcu n LEU 111 CO 0.44 0.15 0.00 0.00 -1.33 0.00 0.00 177.39 176.65 3mcu n ALA 113 N 0.79 0.00 -0.15 -1.18 0.00 -0.36 -1.40 120.51 118.20 3mcu n ALA 113 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3mcu n ALA 113 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 0.62 -0.65 0.00 0.00 -1.65 -1.71 119.26 115.86 3mcu h ALA 114 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3mcu h ALA 114 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3mcu h ALA 114 CO 0.00 0.48 0.29 -0.22 0.00 0.00 0.00 179.25 179.81 3mcu h LYS 115 N 0.69 0.92 0.00 0.00 3.64 -1.51 -1.21 116.57 119.09 3mcu h LYS 115 Ca 0.12 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3mcu h LYS 115 Cb 0.61 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3mcu h LYS 115 CO 0.04 0.73 -0.15 0.00 -2.27 0.00 0.00 179.45 177.80 3mcu h ALA 116 N 1.41 1.04 0.00 5.00 0.00 -1.77 -1.61 119.26 123.33 3mcu h ALA 116 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mcu h ALA 116 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3mcu h ALA 116 CO -0.03 0.19 -0.00 1.15 0.00 0.00 0.00 179.25 180.56 3mcu h THR 117 N 0.00 1.68 0.00 0.00 2.02 -0.54 -3.25 112.91 112.82 3mcu h THR 117 Ca -0.00 -2.12 -0.00 0.00 0.77 0.00 0.00 66.41 65.06 3mcu h THR 117 Cb 0.64 3.10 -0.00 0.00 -1.74 0.00 0.00 68.15 70.15 3mcu h THR 117 CO 0.02 0.54 -0.01 -0.07 0.37 0.00 0.00 175.52 176.37 3mcu h LEU 118 N -0.92 0.00 -1.15 2.58 3.38 -1.21 -2.03 115.31 115.97 3mcu h LEU 118 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3mcu h LEU 118 Cb 0.89 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 3mcu h LEU 118 CO 0.00 0.01 0.60 -0.09 0.09 0.00 0.00 178.44 179.05 3mcu h ARG 119 N 0.00 0.88 -0.30 1.13 2.43 -1.32 -2.26 114.38 114.95 3mcu h ARG 119 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3mcu h ARG 119 Cb 0.17 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3mcu h ARG 119 CO 0.00 0.58 0.00 0.09 -1.51 0.00 0.00 179.97 179.14 3mcu n ASN 120 N -4.55 3.22 -0.38 -3.80 3.02 -0.79 -4.93 115.26 107.05 3mcu n ASN 120 Ca 0.16 -1.97 -0.04 0.00 -0.03 0.00 0.00 54.58 52.70 3mcu n ASN 120 Cb 0.33 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.30 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 1.45 0.52 3.93 7.41 0.00 -0.85 -5.05 105.19 112.61 3mcu n GLY 121 Ca 0.18 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.03 3.47 0.29 1.61 -0.14 -1.03 -4.95 119.74 115.95 3mcu s LYS 122 Ca 0.00 -0.49 -0.29 0.00 -1.36 0.00 0.00 55.97 53.83 3mcu s LYS 122 Cb 0.00 -2.94 -0.10 0.00 -1.68 0.00 0.00 37.83 33.11 3mcu s LYS 122 CO 0.00 0.50 1.39 -1.25 -0.76 0.00 0.00 175.35 175.23 3mcu s PRO 123 N -3.14 4.29 -0.10 -1.68 0.04 -1.26 -4.18 135.00 128.97 3mcu s PRO 123 Ca 0.36 2.29 0.01 0.00 0.04 0.00 0.00 61.00 63.70 3mcu s PRO 123 Cb -0.11 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 3mcu s PRO 123 CO 0.28 -0.34 -0.13 0.08 0.04 0.00 0.00 177.00 176.94 3mcu s VAL 124 N -0.51 3.14 -0.11 -0.36 1.01 -0.28 -4.31 120.40 118.98 3mcu s VAL 124 Ca 0.55 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3mcu s VAL 124 Cb -0.41 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 3mcu s VAL 124 CO 0.48 0.55 -0.16 -0.69 0.00 0.00 0.00 175.10 175.29 3mcu s VAL 125 N -0.14 2.80 -0.09 2.92 1.01 -1.26 -1.13 120.40 124.51 3mcu s VAL 125 Ca -0.01 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3mcu s VAL 125 Cb -0.13 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 3mcu s VAL 125 CO 0.03 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.68 3mcu s LEU 126 N 0.20 2.14 -0.59 3.92 1.43 -0.08 -0.88 118.68 124.82 3mcu s LEU 126 Ca -0.10 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 3mcu s LEU 126 Cb -0.16 -1.42 0.15 0.00 0.03 0.00 0.00 46.19 44.80 3mcu s LEU 126 CO 0.06 0.18 0.43 0.00 0.23 0.00 0.00 176.35 177.24 3mcu s ALA 127 N 0.22 3.54 0.63 4.21 0.00 -0.81 -0.96 121.76 128.60 3mcu s ALA 127 Ca -0.15 -3.01 -0.18 0.00 0.00 0.00 0.00 51.96 48.63 3mcu s ALA 127 Cb -0.17 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 3mcu s ALA 127 CO 0.08 -2.04 1.22 0.54 0.00 0.00 0.00 175.76 175.56 3mcu s VAL 128 N 0.45 2.49 -0.40 0.00 0.11 -1.26 -1.25 120.40 120.54 3mcu s VAL 128 Ca 0.13 0.29 0.05 0.00 -2.93 0.00 0.00 61.98 59.52 3mcu s VAL 128 Cb -0.20 -3.04 0.18 0.00 -1.53 0.00 0.00 36.38 31.78 3mcu s VAL 128 CO -0.04 -0.08 0.71 -0.55 -3.33 0.00 0.00 175.10 171.81 3mcu s SER 129 N -1.69 -1.32 -0.14 3.54 0.15 -0.85 -0.66 113.70 112.73 3mcu s SER 129 Ca 0.77 -0.71 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 3mcu s SER 129 Cb -0.31 1.70 0.04 0.00 -1.71 0.00 0.00 66.02 65.74 3mcu s SER 129 CO 0.37 -0.14 0.44 0.28 1.20 0.00 0.00 173.24 175.38 3mcu s THR 130 N 1.83 0.01 -1.95 6.45 -1.32 -1.26 -3.86 115.64 115.54 3mcu s THR 130 Ca 0.16 -0.06 0.29 0.00 -1.21 0.00 0.00 61.69 60.88 3mcu s THR 130 Cb -0.03 -0.63 0.80 0.00 -1.51 0.00 0.00 72.50 71.13 3mcu s THR 130 CO -0.08 -0.03 2.08 -0.46 -2.21 0.00 0.00 174.62 173.91 3mcu n ASN 131 N 2.57 0.00 -0.28 8.08 0.23 -1.26 -3.25 115.26 121.35 3mcu n ASN 131 Ca -0.14 -0.84 0.08 0.00 -0.53 0.00 0.00 54.58 53.15 3mcu n ASN 131 Cb 0.57 -0.03 0.17 0.00 -2.08 0.00 0.00 39.78 38.41 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 -1.03 2.25 0.03 0.53 5.68 -1.24 -3.34 116.55 119.43 3mcu n ASP 132 Ca 0.21 -3.33 0.04 0.00 -0.50 0.00 0.00 54.79 51.21 3mcu n ASP 132 Cb 0.11 -0.47 0.43 0.00 -1.14 0.00 0.00 41.12 40.05 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 0.38 1.70 -0.59 2.12 0.00 -1.04 -0.28 119.26 121.55 3mcu h ALA 133 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3mcu h ALA 133 Cb 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3mcu h ALA 133 CO 0.02 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.82 3mcu n LEU 134 N -4.46 3.77 0.00 0.00 4.77 -0.37 -2.28 117.00 118.43 3mcu n LEU 134 Ca 0.02 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 3mcu n LEU 134 Cb 0.08 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3mcu n LEU 134 CO 0.36 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 3mcu n GLY 135 N 1.61 2.18 0.34 -0.72 0.00 -0.17 -4.84 105.19 103.58 3mcu n GLY 135 Ca 0.22 -0.80 0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.25 0.99 3.38 -1.89 -0.51 115.31 117.03 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 -0.14 -3.20 0.09 0.00 0.00 178.44 175.19 3mcu n ASN 137 N -3.70 0.53 -0.16 -0.43 2.85 -0.87 -4.07 115.26 109.42 3mcu n ASN 137 Ca 0.01 -0.57 -0.04 0.00 -0.11 0.00 0.00 54.58 53.87 3mcu n ASN 137 Cb 0.33 -0.05 0.05 0.00 1.24 0.00 0.00 39.78 41.35 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 4.96 0.67 1.30 8.20 0.00 -0.64 -1.82 103.07 115.73 3mcu h GLY 138 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3mcu h GLY 138 CO 0.00 0.08 0.17 -2.08 0.00 0.00 0.00 176.54 174.71 3mcu h VAL 139 N 0.44 1.23 -0.40 4.60 2.07 -1.79 -2.69 116.25 119.71 3mcu h VAL 139 Ca 0.22 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 3mcu h VAL 139 Cb 0.16 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3mcu h VAL 139 CO -0.18 0.30 -0.00 0.78 0.02 0.00 0.00 177.57 178.49 3mcu h ASN 140 N 0.86 0.70 0.00 0.57 2.35 -1.69 -1.40 115.58 116.96 3mcu h ASN 140 Ca 0.19 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3mcu h ASN 140 Cb 0.27 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3mcu h ASN 140 CO -0.01 0.84 0.00 -0.11 -1.65 0.00 0.00 177.43 176.50 3mcu n LEU 141 N -4.44 0.00 0.00 1.61 0.00 -0.73 -1.75 117.00 111.70 3mcu n LEU 141 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.00 3mcu n LEU 141 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.71 3mcu n LEU 141 CO 0.41 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.66 3mcu n ARG 143 N 0.57 0.00 -0.01 1.96 0.63 -0.53 -4.70 116.66 114.58 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 0.47 0.00 6.15 4.77 -0.71 -2.42 117.00 125.26 3mcu n LEU 144 Ca 0.00 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3mcu n LEU 144 Cb 0.00 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3mcu n LEU 144 CO 0.00 0.08 0.00 0.00 -1.33 0.00 0.00 177.39 176.14 3mcu n ALA 146 N 1.11 0.00 -2.17 -1.18 0.00 -1.26 -4.73 120.51 112.27 3mcu n ALA 146 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3mcu n ALA 146 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 4.66 0.19 0.00 2.01 -1.02 -5.01 115.64 116.47 3mcu s THR 147 Ca 0.00 1.11 -0.33 0.00 0.31 0.00 0.00 61.69 62.78 3mcu s THR 147 Cb 0.00 -3.79 -0.14 0.00 0.01 0.00 0.00 72.50 68.59 3mcu s THR 147 CO 0.00 0.15 1.53 0.29 -0.69 0.00 0.00 174.62 175.90 3mcu n LYS 148 N 0.55 2.15 -1.32 4.92 5.02 -1.26 -2.80 118.16 125.41 3mcu n LYS 148 Ca -0.02 0.77 -0.11 0.00 -2.02 0.00 0.00 58.31 56.93 3mcu n LYS 148 Cb 0.52 -2.51 -0.05 0.00 -0.02 0.00 0.00 35.03 32.97 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 3.01 -4.41 -4.27 4.39 3.02 -1.26 -5.01 115.26 110.73 3mcu n ASN 149 Ca 0.15 0.28 -0.33 0.00 -0.03 0.00 0.00 54.58 54.65 3mcu n ASN 149 Cb 0.30 -2.89 -0.16 0.00 -0.61 0.00 0.00 39.78 36.42 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 -2.39 2.56 0.15 2.41 1.01 -1.12 -1.13 121.20 122.70 3mcu s ILE 150 Ca 0.00 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.89 3mcu s ILE 150 Cb 0.00 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 3mcu s ILE 150 CO 0.00 0.53 -0.15 -0.31 0.00 0.00 0.00 174.94 175.01 3mcu s TYR 151 N 0.56 1.56 -0.04 3.97 2.02 -0.28 -4.82 117.35 120.31 3mcu s TYR 151 Ca -0.11 -0.56 0.07 0.00 -0.37 0.00 0.00 57.07 56.10 3mcu s TYR 151 Cb -0.16 -0.78 -0.01 0.00 -0.40 0.00 0.00 41.96 40.60 3mcu s TYR 151 CO 0.04 0.23 -0.25 -0.06 -1.57 0.00 0.00 175.55 173.94 3mcu s PHE 152 N -2.42 2.31 0.18 2.71 0.40 -1.26 -0.90 117.98 119.00 3mcu s PHE 152 Ca 0.14 -0.58 -0.31 0.00 -0.60 0.00 0.00 56.93 55.58 3mcu s PHE 152 Cb -0.03 -1.51 -0.09 0.00 0.51 0.00 0.00 43.02 41.90 3mcu s PHE 152 CO 0.04 -0.14 1.44 0.08 0.70 0.00 0.00 175.22 177.35 3mcu s VAL 153 N -0.33 2.90 0.28 -0.44 1.01 -0.13 -4.72 120.40 118.96 3mcu s VAL 153 Ca 0.02 0.69 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 3mcu s VAL 153 Cb -0.12 -3.44 -0.14 0.00 0.00 0.00 0.00 36.38 32.68 3mcu s VAL 153 CO 0.02 0.08 1.08 -2.65 0.00 0.00 0.00 175.10 173.62 3mcu n PRO 154 N 3.26 1.45 -4.00 2.72 -0.02 -1.26 -4.66 135.00 132.48 3mcu n PRO 154 Ca 0.10 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 3mcu n PRO 154 Cb 0.41 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.89 0.51 0.00 6.00 -0.12 -0.76 0.03 117.98 122.75 3mcu s PHE 155 Ca 0.61 -0.87 0.00 0.00 -0.05 0.00 0.00 56.93 56.61 3mcu s PHE 155 Cb -0.70 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 41.53 3mcu s PHE 155 CO 0.59 -0.67 0.00 0.41 -0.05 0.00 0.00 175.22 175.50 3mcu n GLY 156 N -0.18 0.79 3.67 1.99 0.00 -1.03 -1.18 105.19 109.26 3mcu n GLY 156 Ca -0.07 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.22 4.21 0.12 1.61 -0.21 -1.26 -1.47 119.66 121.44 3mcu s GLN 157 Ca 0.00 2.12 0.24 0.00 0.02 0.00 0.00 55.36 57.74 3mcu s GLN 157 Cb 0.00 -3.79 0.32 0.00 1.00 0.00 0.00 33.01 30.55 3mcu s GLN 157 CO 0.00 -0.75 1.30 -0.40 -2.12 0.00 0.00 175.29 173.32 3mcu n ASP 158 N 6.34 0.70 -2.73 5.90 3.85 -1.25 -0.49 116.55 128.86 3mcu n ASP 158 Ca 0.16 0.10 -0.05 0.00 -0.71 0.00 0.00 54.79 54.29 3mcu n ASP 158 Cb 0.43 0.20 0.03 0.00 -1.35 0.00 0.00 41.12 40.43 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 -1.83 -2.28 -0.26 2.12 0.00 -1.26 -4.54 120.51 112.46 3mcu n ALA 159 Ca 0.03 -0.85 0.16 0.00 0.00 0.00 0.00 53.44 52.78 3mcu n ALA 159 Cb 0.44 -1.94 0.45 0.00 0.00 0.00 0.00 19.45 18.40 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 4.44 0.51 0.08 0.00 0.11 -1.84 0.17 132.00 135.48 3mcu h PRO 160 Ca -0.03 -0.03 -0.30 0.00 0.11 0.00 0.00 66.00 65.75 3mcu h PRO 160 Cb 1.11 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3mcu h PRO 160 CO 0.05 0.34 -1.59 0.93 -0.21 0.00 0.00 178.00 177.52 3mcu h GLU 161 N 0.53 0.18 -0.48 1.05 4.39 -1.96 -3.25 114.58 115.03 3mcu h GLU 161 Ca 0.47 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 3mcu h GLU 161 Cb 1.00 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 3mcu h GLU 161 CO -0.21 1.15 -0.08 0.87 -1.16 0.00 0.00 179.01 179.58 3mcu h LYS 162 N -0.37 0.86 -1.98 2.33 1.79 -1.92 -3.38 116.57 113.90 3mcu h LYS 162 Ca -0.36 -0.28 -0.48 0.00 -2.18 0.00 0.00 60.65 57.35 3mcu h LYS 162 Cb 1.73 -0.07 -0.32 0.00 -1.58 0.00 0.00 32.23 31.98 3mcu h LYS 162 CO -0.01 0.91 -0.86 1.63 -1.08 0.00 0.00 179.45 180.04 3mcu n LYS 163 N -4.17 0.30 0.06 3.15 5.02 0.58 -5.02 118.16 118.07 3mcu n LYS 163 Ca 0.02 -2.87 0.19 0.00 -2.02 0.00 0.00 58.31 53.63 3mcu n LYS 163 Cb 0.36 -1.60 0.72 0.00 -0.02 0.00 0.00 35.03 34.49 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 5.39 0.00 -0.17 1.97 0.11 -1.67 -0.44 132.00 137.18 3mcu h PRO 164 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3mcu h PRO 164 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3mcu h PRO 164 CO 0.28 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.16 3mcu n ASN 165 N -4.20 2.70 -4.22 -2.05 3.02 -1.26 -4.88 115.26 104.38 3mcu n ASN 165 Ca 0.08 -1.87 -0.28 0.00 -0.03 0.00 0.00 54.58 52.47 3mcu n ASN 165 Cb 0.54 -0.10 0.17 0.00 -0.61 0.00 0.00 39.78 39.78 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 -1.75 3.34 0.00 6.41 0.15 -0.18 -0.98 113.70 120.69 3mcu s SER 166 Ca 0.34 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.02 3mcu s SER 166 Cb 0.21 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 3mcu s SER 166 CO 0.30 -2.57 0.00 0.52 1.20 0.00 0.00 173.24 172.70 3mcu n VAL 168 N -3.54 0.00 -2.48 4.45 0.31 -0.54 -3.82 118.33 112.70 3mcu n VAL 168 Ca 0.16 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.16 3mcu n VAL 168 Cb 0.60 0.00 -0.03 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 -1.24 2.90 0.86 3.52 0.00 0.17 -2.45 121.76 125.52 3mcu s ALA 169 Ca 0.00 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 3mcu s ALA 169 Cb 0.00 -3.22 0.11 0.00 0.00 0.00 0.00 23.12 20.02 3mcu s ALA 169 CO 0.00 -0.32 1.17 1.03 0.00 0.00 0.00 175.76 177.64 3mcu s ARG 170 N -3.47 1.51 0.00 0.00 0.52 0.10 -4.95 118.95 112.67 3mcu s ARG 170 Ca 0.65 0.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.01 3mcu s ARG 170 Cb -0.14 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.43 3mcu s ARG 170 CO 0.23 -1.92 0.00 0.39 0.02 0.00 0.00 175.30 174.02 3mcu n GLU 172 N -3.55 0.00 -0.23 3.54 4.71 -1.26 -4.05 120.64 119.81 3mcu n GLU 172 Ca 0.08 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 57.32 3mcu n GLU 172 Cb 0.60 -0.91 0.24 0.00 -1.01 0.00 0.00 31.44 30.36 3mcu n GLU 172 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3mcu n LEU 173 N 0.00 2.69 -0.06 -4.62 4.77 -1.26 -4.53 117.00 113.99 3mcu n LEU 173 Ca 0.00 -1.30 -0.08 0.00 -0.03 0.00 0.00 56.01 54.59 3mcu n LEU 173 Cb 0.00 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 3mcu n LEU 173 CO 0.00 0.65 0.92 0.25 -1.33 0.00 0.00 177.39 177.88 3mcu h LEU 174 N 3.06 0.09 -0.19 2.23 6.46 -1.99 -1.55 115.31 123.42 3mcu h LEU 174 Ca 0.00 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 3mcu h LEU 174 Cb 0.69 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 3mcu h LEU 174 CO 0.00 0.08 0.06 -0.33 -0.62 0.00 0.00 178.44 177.63 3mcu h GLU 175 N 0.20 0.30 -0.56 1.25 3.07 -1.97 -1.61 114.58 115.25 3mcu h GLU 175 Ca 0.11 -0.06 0.09 0.00 -0.50 0.00 0.00 59.36 58.99 3mcu h GLU 175 Cb 0.08 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 3mcu h GLU 175 CO -0.11 0.40 0.38 -0.44 -1.40 0.00 0.00 179.01 177.83 3mcu h ASP 176 N 0.13 0.35 0.06 1.42 3.45 -1.84 -1.06 116.42 118.95 3mcu h ASP 176 Ca 0.06 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.52 3mcu h ASP 176 Cb 0.23 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 3mcu h ASP 176 CO -0.00 0.22 -0.03 0.74 -1.57 0.00 0.00 179.24 178.60 3mcu h THR 177 N 0.40 1.15 -0.79 0.35 2.02 -0.66 -2.41 112.91 112.97 3mcu h THR 177 Ca 0.26 -0.75 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 3mcu h THR 177 Cb 0.49 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3mcu h THR 177 CO -0.07 0.19 0.32 -0.37 0.37 0.00 0.00 175.52 175.96 3mcu h VAL 178 N -0.42 1.26 -0.47 3.16 -1.51 -0.83 -0.06 116.25 117.37 3mcu h VAL 178 Ca -0.01 -0.81 0.07 0.00 -1.23 0.00 0.00 66.70 64.72 3mcu h VAL 178 Cb 0.37 0.31 -0.06 0.00 -2.13 0.00 0.00 31.29 29.78 3mcu h VAL 178 CO 0.01 0.33 0.14 -0.07 -1.23 0.00 0.00 177.57 176.76 3mcu h LEU 179 N 1.15 0.11 -0.66 4.19 3.38 -1.21 0.10 115.31 122.37 3mcu h LEU 179 Ca 0.26 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.24 3mcu h LEU 179 Cb 0.21 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3mcu h LEU 179 CO -0.02 0.09 0.17 -0.33 0.09 0.00 0.00 178.44 178.43 3mcu h GLU 180 N 0.30 1.05 -0.11 1.13 4.39 -0.99 -3.16 114.58 117.19 3mcu h GLU 180 Ca 0.23 -0.25 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 3mcu h GLU 180 Cb 0.27 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3mcu h GLU 180 CO -0.26 0.94 -0.33 0.00 -1.16 0.00 0.00 179.01 178.20 3mcu h ALA 181 N 1.07 1.25 -0.03 3.43 0.00 0.09 -0.16 119.26 124.91 3mcu h ALA 181 Ca 0.21 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3mcu h ALA 181 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3mcu h ALA 181 CO 0.00 0.51 0.02 -0.07 0.00 0.00 0.00 179.25 179.71 3mcu h LEU 182 N 0.18 0.00 -2.56 0.00 3.38 -0.80 -0.95 115.31 114.56 3mcu h LEU 182 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3mcu h LEU 182 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3mcu h LEU 182 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3mcu n GLN 183 N -4.37 3.30 -1.91 1.13 6.02 -0.27 -4.91 117.38 116.38 3mcu n GLN 183 Ca -0.02 -2.17 -0.17 0.00 -0.01 0.00 0.00 57.00 54.62 3mcu n GLN 183 Cb 0.12 -1.84 -0.04 0.00 1.02 0.00 0.00 30.24 29.50 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 0.76 0.67 3.37 1.08 0.00 -0.36 -5.02 105.19 105.70 3mcu n GLY 184 Ca 0.19 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.14 1.58 -0.17 1.61 -0.14 -0.23 -4.98 119.74 113.26 3mcu s LYS 185 Ca 0.00 -1.24 -0.19 0.00 -1.36 0.00 0.00 55.97 53.18 3mcu s LYS 185 Cb 0.00 -1.93 -0.03 0.00 -1.68 0.00 0.00 37.83 34.19 3mcu s LYS 185 CO 0.00 0.48 0.56 -1.14 -0.76 0.00 0.00 175.35 174.49 3mcu s GLN 186 N -1.67 4.25 0.33 1.68 2.00 -1.26 -2.66 119.66 122.32 3mcu s GLN 186 Ca 0.13 0.52 -0.29 0.00 -2.00 0.00 0.00 55.36 53.72 3mcu s GLN 186 Cb -0.10 -3.53 -0.11 0.00 0.80 0.00 0.00 33.01 30.07 3mcu s GLN 186 CO 0.04 -0.10 1.41 -1.17 -0.50 0.00 0.00 175.29 174.97 3mcu s LEU 187 N 1.44 4.38 0.13 3.68 2.96 -1.26 -5.02 118.68 125.00 3mcu s LEU 187 Ca 0.27 2.83 0.10 0.00 -0.22 0.00 0.00 54.13 57.10 3mcu s LEU 187 Cb -0.16 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 3mcu s LEU 187 CO 0.11 -0.70 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.10 3mcu s GLN 188 N -1.59 1.30 0.33 1.98 -1.52 -1.26 -3.73 119.66 115.17 3mcu s GLN 188 Ca 0.53 -1.31 -0.28 0.00 -1.95 0.00 0.00 55.36 52.34 3mcu s GLN 188 Cb -0.43 -1.63 -0.10 0.00 -0.22 0.00 0.00 33.01 30.63 3mcu s GLN 188 CO 0.55 0.37 1.21 -1.25 -0.25 0.00 0.00 175.29 175.92 3mcu s PRO 189 N -2.18 4.40 0.13 2.91 0.04 -1.26 -5.11 135.00 133.93 3mcu s PRO 189 Ca 0.12 2.00 0.20 0.00 0.04 0.00 0.00 61.00 63.37 3mcu s PRO 189 Cb -0.09 -3.04 -0.08 0.00 0.04 0.00 0.00 34.50 31.33 3mcu s PRO 189 CO 0.06 -0.07 0.91 1.55 0.04 0.00 0.00 177.00 179.49 3mcu n VAL 190 N 0.80 0.82 -3.75 -0.36 3.14 -1.24 -4.72 118.33 113.02 3mcu n VAL 190 Ca 0.00 -0.61 -0.37 0.00 -2.96 0.00 0.00 64.34 60.40 3mcu n VAL 190 Cb 0.44 -0.48 -0.12 0.00 -1.06 0.00 0.00 33.84 32.62 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 -3.19 3.99 0.15 1.55 1.01 -1.26 -1.82 120.40 120.82 3mcu s VAL 191 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3mcu s VAL 191 Cb 0.09 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3mcu s VAL 191 CO 0.81 0.03 -0.05 0.68 0.00 0.00 0.00 175.10 176.57 3mcu s VAL 192 N 1.49 0.86 -1.24 2.92 -7.23 -0.32 -4.96 120.40 111.92 3mcu s VAL 192 Ca 0.02 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.00 3mcu s VAL 192 Cb -0.18 -1.94 0.06 0.00 0.56 0.00 0.00 36.38 34.89 3mcu s VAL 192 CO 0.03 -0.65 1.69 -1.61 -0.31 0.00 0.00 175.10 174.25 3mcu s GLU 193 N -3.84 3.87 0.49 4.82 2.02 -1.26 -3.65 118.70 121.14 3mcu s GLU 193 Ca 0.19 -1.81 0.17 0.00 0.02 0.00 0.00 54.97 53.53 3mcu s GLU 193 Cb 0.05 -5.50 1.18 0.00 0.10 0.00 0.00 34.13 29.96 3mcu s GLU 193 CO 0.01 -2.30 2.06 -0.22 0.02 0.00 0.00 175.26 174.83 3mcu h LYS 194 N 8.05 0.17 0.00 1.61 1.63 -1.82 -1.79 116.57 124.43 3mcu h LYS 194 Ca 0.40 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 3mcu h LYS 194 Cb 0.90 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 3mcu h LYS 194 CO 1.45 0.11 0.00 1.97 -3.45 0.00 0.00 179.45 179.53 3mcu n PHE 195 N -4.47 0.74 1.07 1.91 1.16 0.36 -1.23 117.46 117.00 3mcu n PHE 195 Ca 0.04 0.34 0.13 0.00 -1.87 0.00 0.00 57.45 56.09 3mcu n PHE 195 Cb 0.28 -1.05 0.33 0.00 -1.61 0.00 0.00 39.48 37.44 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 -2.22 0.20 -3.88 3.97 1.74 -0.67 -4.99 116.66 110.81 3mcu n ARG 196 Ca 0.00 -0.11 -0.35 0.00 -0.77 0.00 0.00 57.85 56.62 3mcu n ARG 196 Cb 0.12 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.93 3mcu n ARG 196 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3mcu s TYR 197 N -2.87 3.37 0.00 -1.55 1.51 -0.36 -5.17 117.35 112.28 3mcu s TYR 197 Ca 0.15 -2.05 0.00 0.00 -1.01 0.00 0.00 57.07 54.16 3mcu s TYR 197 Cb 0.18 -2.42 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 3mcu s TYR 197 CO 0.64 -0.85 0.00 0.27 -1.11 0.00 0.00 175.55 174.50