#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcu n LEU 3 N 0.00 0.00 -4.67 2.46 4.32 -1.26 -4.77 117.00 113.07 3mcu n LEU 3 Ca 0.00 0.50 -0.47 0.00 -0.02 0.00 0.00 56.01 56.02 3mcu n LEU 3 Cb 0.00 -0.50 -0.04 0.00 -1.62 0.00 0.00 43.42 41.26 3mcu n LEU 3 CO 0.00 -0.30 1.54 1.17 -1.22 0.00 0.00 177.39 178.58 3mcu n LYS 4 N -1.50 2.35 0.00 3.23 4.81 -1.19 -1.51 118.16 124.35 3mcu n LYS 4 Ca 0.03 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 3mcu n LYS 4 Cb 0.14 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 32.43 3mcu n LYS 4 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mcu n GLY 5 N 4.52 2.27 3.78 3.14 0.00 -0.57 -4.91 105.19 113.41 3mcu n GLY 5 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.25 4.10 -0.37 1.61 -0.14 -0.57 -4.71 119.74 119.40 3mcu s LYS 6 Ca 0.00 1.62 -0.18 0.00 -1.36 0.00 0.00 55.97 56.06 3mcu s LYS 6 Cb 0.00 -2.57 0.00 0.00 -1.68 0.00 0.00 37.83 33.59 3mcu s LYS 6 CO 0.00 -0.23 0.48 0.50 -0.76 0.00 0.00 175.35 175.34 3mcu s ARG 7 N -2.45 3.45 -0.16 1.68 3.52 -1.26 -0.65 118.95 123.07 3mcu s ARG 7 Ca 0.58 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.82 3mcu s ARG 7 Cb -0.25 -3.86 0.02 0.00 -1.56 0.00 0.00 34.95 29.30 3mcu s ARG 7 CO 0.31 -0.71 -0.20 0.42 -0.81 0.00 0.00 175.30 174.31 3mcu s ILE 8 N 2.30 1.98 0.25 4.11 1.01 0.92 -0.24 121.20 131.54 3mcu s ILE 8 Ca 0.16 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 59.67 3mcu s ILE 8 Cb -0.16 -1.78 -0.09 0.00 0.01 0.00 0.00 42.46 40.44 3mcu s ILE 8 CO 0.14 0.53 0.83 -0.83 0.00 0.00 0.00 174.94 175.60 3mcu s GLY 9 N 1.11 2.76 -0.22 6.18 0.00 0.19 -0.91 107.32 116.42 3mcu s GLY 9 Ca -0.00 0.35 -0.03 0.00 0.00 0.00 0.00 44.72 45.04 3mcu s GLY 9 CO -0.08 0.78 0.06 -0.12 0.00 0.00 0.00 173.10 173.74 3mcu s PHE 10 N -1.48 1.05 0.16 1.90 5.36 -0.56 -0.37 117.98 124.04 3mcu s PHE 10 Ca 0.44 -1.00 0.07 0.00 -0.96 0.00 0.00 56.93 55.48 3mcu s PHE 10 Cb -0.19 -1.13 -0.04 0.00 -0.34 0.00 0.00 43.02 41.32 3mcu s PHE 10 CO 0.23 -0.68 0.00 0.20 -1.46 0.00 0.00 175.22 173.51 3mcu s GLY 11 N 1.85 1.75 -0.04 13.12 0.00 0.46 -0.22 107.32 124.24 3mcu s GLY 11 Ca 0.02 -1.33 -0.06 0.00 0.00 0.00 0.00 44.72 43.35 3mcu s GLY 11 CO -0.14 -1.34 0.15 -0.11 0.00 0.00 0.00 173.10 171.66 3mcu s PHE 12 N -1.67 -0.10 0.11 1.90 -0.12 -1.04 -1.19 117.98 115.86 3mcu s PHE 12 Ca 0.27 0.24 0.07 0.00 -0.05 0.00 0.00 56.93 57.46 3mcu s PHE 12 Cb -0.10 0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 3mcu s PHE 12 CO 0.18 -0.15 -0.17 0.95 -0.05 0.00 0.00 175.22 175.98 3mcu s THR 13 N -0.41 1.49 0.00 -4.49 -4.23 -1.15 -3.41 115.64 103.43 3mcu s THR 13 Ca -0.05 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3mcu s THR 13 Cb -0.03 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.35 3mcu s THR 13 CO 0.01 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 3mcu n GLY 14 N 0.91 -1.88 3.65 3.99 0.00 -1.26 -4.63 105.19 105.96 3mcu n GLY 14 Ca -0.18 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 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 0.00 1.07 -0.03 1.61 2.88 -1.26 -4.97 113.62 112.93 3mcu n SER 15 Ca 0.00 0.77 -0.15 0.00 -1.33 0.00 0.00 58.87 58.16 3mcu n SER 15 Cb 0.00 -1.44 -0.10 0.00 -0.75 0.00 0.00 64.21 61.92 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 0.29 0.34 -0.01 0.66 -0.00 -2.02 -3.31 115.15 111.10 3mcu h HIS 16 Ca -0.49 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 59.72 3mcu h HIS 16 Cb 1.35 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.71 3mcu h HIS 16 CO 0.39 0.90 0.03 0.00 -0.00 0.00 0.00 177.93 179.25 3mcu n THR 18 N -3.17 0.14 0.66 0.00 -2.24 -1.25 -4.02 114.28 104.40 3mcu n THR 18 Ca -0.03 -0.11 0.10 0.00 -2.27 0.00 0.00 64.05 61.75 3mcu n THR 18 Cb 0.10 -0.06 -0.11 0.00 -2.10 0.00 0.00 70.33 68.17 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 -0.21 0.03 0.22 4.78 4.01 -0.64 -4.25 117.16 121.09 3mcu n TYR 19 Ca 0.03 0.01 0.03 0.00 -0.16 0.00 0.00 57.90 57.80 3mcu n TYR 19 Cb 0.12 -0.20 0.13 0.00 -0.31 0.00 0.00 39.34 39.08 3mcu n TYR 19 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3mcu n GLU 20 N -1.77 0.01 0.10 -0.72 4.71 -1.26 -0.52 120.64 121.19 3mcu n GLU 20 Ca 0.01 0.38 0.13 0.00 -0.01 0.00 0.00 57.16 57.67 3mcu n GLU 20 Cb 0.41 -1.50 0.44 0.00 -1.01 0.00 0.00 31.44 29.78 3mcu n GLU 20 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3mcu n GLU 21 N -1.48 0.23 -2.82 3.49 1.02 -1.26 -4.32 120.64 115.49 3mcu n GLU 21 Ca 0.02 0.25 -0.31 0.00 -0.02 0.00 0.00 57.16 57.09 3mcu n GLU 21 Cb 0.07 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 29.67 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 -2.20 4.01 0.00 2.62 0.24 0.32 -4.61 118.33 118.71 3mcu n VAL 22 Ca 0.05 -5.67 0.00 0.00 -2.04 0.00 0.00 64.34 56.67 3mcu n VAL 22 Cb 0.38 -1.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 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 -0.20 0.00 -0.05 7.34 -0.02 -1.26 -2.13 135.00 138.68 3mcu n PRO 24 Ca 0.36 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 3mcu n PRO 24 Cb 0.36 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.76 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 0.76 -0.46 6.00 3.86 -1.93 -0.23 115.15 123.16 3mcu h HIS 25 Ca 0.00 -0.30 0.09 0.00 -1.16 0.00 0.00 60.37 59.00 3mcu h HIS 25 Cb 0.00 -0.13 -0.08 0.00 1.06 0.00 0.00 27.41 28.26 3mcu h HIS 25 CO 0.00 1.07 -0.02 -0.07 0.86 0.00 0.00 177.93 179.77 3mcu h LEU 26 N 0.23 -0.23 -0.78 2.43 3.38 -1.84 0.36 115.31 118.87 3mcu h LEU 26 Ca -0.01 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3mcu h LEU 26 Cb 1.07 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 3mcu h LEU 26 CO 0.10 -0.08 0.49 -0.08 0.09 0.00 0.00 178.44 178.96 3mcu h GLU 27 N 0.09 0.93 0.39 1.13 4.81 -1.81 -1.29 114.58 118.82 3mcu h GLU 27 Ca 0.23 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3mcu h GLU 27 Cb 0.34 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3mcu h GLU 27 CO -0.40 0.61 -0.24 0.87 -0.73 0.00 0.00 179.01 179.12 3mcu h LYS 28 N 0.95 -0.58 -0.60 1.92 1.57 -0.07 -0.74 116.57 119.02 3mcu h LYS 28 Ca 0.31 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.23 3mcu h LYS 28 Cb 0.03 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 3mcu h LYS 28 CO -0.12 -0.39 0.20 -0.07 -0.57 0.00 0.00 179.45 178.51 3mcu h LEU 29 N -0.60 0.17 -0.25 2.94 3.38 -0.52 -0.03 115.31 120.41 3mcu h LEU 29 Ca -0.04 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3mcu h LEU 29 Cb 0.50 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3mcu h LEU 29 CO 0.04 0.10 -0.10 0.16 0.09 0.00 0.00 178.44 178.73 3mcu h ILE 30 N 0.37 1.30 -0.31 1.22 -0.00 -1.19 -1.87 117.51 117.03 3mcu h ILE 30 Ca 0.31 -1.16 0.09 0.00 -0.00 0.00 0.00 64.86 64.09 3mcu h ILE 30 Cb 0.39 1.54 -0.01 0.00 -0.00 0.00 0.00 36.82 38.74 3mcu h ILE 30 CO -0.32 0.36 0.28 0.00 -0.00 0.00 0.00 178.15 178.46 3mcu h ALA 31 N 0.73 2.09 -0.00 0.16 0.00 -0.58 0.28 119.26 121.94 3mcu h ALA 31 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mcu h ALA 31 Cb 0.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3mcu h ALA 31 CO 0.03 -0.43 -0.03 -1.91 0.00 0.00 0.00 179.25 176.90 3mcu n GLU 32 N -4.05 0.78 -0.17 0.00 4.07 -0.07 -4.91 120.64 116.29 3mcu n GLU 32 Ca 0.05 -0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 3mcu n GLU 32 Cb 0.44 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.32 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 1.18 0.60 3.81 8.31 0.00 0.98 -3.16 105.19 116.92 3mcu n GLY 33 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.33 2.92 -0.28 4.61 0.00 -0.77 -1.52 121.76 124.40 3mcu s ALA 34 Ca 0.00 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 3mcu s ALA 34 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3mcu s ALA 34 CO 0.00 -0.31 0.52 -2.00 0.00 0.00 0.00 175.76 173.97 3mcu s GLU 35 N -3.61 3.96 -0.25 0.00 2.12 0.17 -4.42 118.70 116.67 3mcu s GLU 35 Ca 0.63 0.21 -0.07 0.00 0.36 0.00 0.00 54.97 56.11 3mcu s GLU 35 Cb -0.13 -3.69 -0.02 0.00 0.26 0.00 0.00 34.13 30.55 3mcu s GLU 35 CO 0.25 -0.43 0.05 0.08 -0.54 0.00 0.00 175.26 174.66 3mcu s VAL 36 N 2.35 4.08 -0.39 3.70 1.01 -1.26 -0.06 120.40 129.84 3mcu s VAL 36 Ca 0.21 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 3mcu s VAL 36 Cb -0.15 -2.92 0.06 0.00 0.00 0.00 0.00 36.38 33.36 3mcu s VAL 36 CO 0.10 0.33 0.21 -0.13 0.00 0.00 0.00 175.10 175.62 3mcu s ARG 37 N 1.58 2.66 0.32 2.72 1.81 -0.09 -4.69 118.95 123.26 3mcu s ARG 37 Ca 0.06 -1.29 -0.28 0.00 -1.72 0.00 0.00 55.73 52.49 3mcu s ARG 37 Cb -0.15 -3.70 -0.09 0.00 -0.45 0.00 0.00 34.95 30.56 3mcu s ARG 37 CO 0.02 -0.82 1.15 -2.14 -0.68 0.00 0.00 175.30 172.83 3mcu s PRO 38 N 1.46 4.42 -0.10 3.54 0.02 -1.26 -1.49 135.00 141.58 3mcu s PRO 38 Ca 0.02 1.87 0.00 0.00 0.02 0.00 0.00 61.00 62.91 3mcu s PRO 38 Cb -0.21 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.32 3mcu s PRO 38 CO 0.04 -0.00 -0.09 0.08 -0.33 0.00 0.00 177.00 176.69 3mcu s VAL 39 N -1.25 1.07 -0.13 3.83 1.01 0.70 -0.44 120.40 125.19 3mcu s VAL 39 Ca 0.49 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 3mcu s VAL 39 Cb -0.32 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3mcu s VAL 39 CO 0.42 0.37 -0.12 0.68 0.00 0.00 0.00 175.10 176.44 3mcu s VAL 40 N 1.47 3.15 -2.00 2.92 -7.23 0.44 -2.49 120.40 116.66 3mcu s VAL 40 Ca 0.01 -0.63 0.24 0.00 -1.81 0.00 0.00 61.98 59.79 3mcu s VAL 40 Cb -0.13 -2.32 0.68 0.00 0.56 0.00 0.00 36.38 35.17 3mcu s VAL 40 CO -0.06 0.52 1.88 -1.54 -0.31 0.00 0.00 175.10 175.60 3mcu n SER 41 N 3.47 0.00 -4.35 4.85 3.41 -1.22 -4.38 113.62 115.41 3mcu n SER 41 Ca -0.18 -1.11 -0.33 0.00 -0.26 0.00 0.00 58.87 56.99 3mcu n SER 41 Cb 0.53 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.33 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 2.70 0.63 7.33 2.02 -1.26 -4.68 117.35 122.08 3mcu s TYR 42 Ca 0.36 -0.65 0.27 0.00 -0.37 0.00 0.00 57.07 56.67 3mcu s TYR 42 Cb 0.17 -1.75 1.37 0.00 -0.40 0.00 0.00 41.96 41.34 3mcu s TYR 42 CO 0.28 -0.19 1.78 0.00 -1.57 0.00 0.00 175.55 175.85 3mcu h THR 43 N 5.25 0.17 0.00 -0.71 1.03 -1.81 -3.46 112.91 113.37 3mcu h THR 43 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 3mcu h THR 43 Cb 1.20 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 3mcu h THR 43 CO 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 176.03 3mcu n ALA 55 N -2.10 0.00 -0.02 0.00 0.00 -1.26 -5.03 120.51 112.11 3mcu n ALA 55 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3mcu n ALA 55 Cb 0.66 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 1.66 0.24 0.00 1.02 -1.26 -4.46 120.64 117.84 3mcu n GLU 56 Ca 0.00 -0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.18 3mcu n GLU 56 Cb 0.00 -1.15 0.38 0.00 -0.02 0.00 0.00 31.44 30.65 3mcu n GLU 56 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 3mcu h TRP 57 N 0.00 0.00 -0.07 -0.32 5.08 -2.04 0.18 115.95 118.79 3mcu h TRP 57 Ca -0.08 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.77 3mcu h TRP 57 Cb 0.83 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.00 3mcu h TRP 57 CO 0.00 0.00 -0.44 0.82 -1.28 0.00 0.00 178.44 177.54 3mcu h ILE 58 N 0.00 1.41 0.00 0.12 2.04 -1.99 -0.51 117.51 118.57 3mcu h ILE 58 Ca 0.00 -1.84 -0.04 0.00 1.00 0.00 0.00 64.86 63.98 3mcu h ILE 58 Cb 1.00 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 3mcu h ILE 58 CO 0.00 0.54 -0.18 0.07 0.00 0.00 0.00 178.15 178.58 3mcu h LYS 59 N -0.04 0.00 -0.08 2.37 2.10 -0.94 0.55 116.57 120.53 3mcu h LYS 59 Ca -0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 3mcu h LYS 59 Cb 1.11 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3mcu h LYS 59 CO 0.09 0.18 -0.08 -0.22 -2.00 0.00 0.00 179.45 177.41 3mcu h LYS 60 N 0.00 0.19 -0.99 0.07 3.64 -1.35 -0.64 116.57 117.50 3mcu h LYS 60 Ca -0.00 -0.10 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 3mcu h LYS 60 Cb 0.49 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.24 3mcu h LYS 60 CO 0.02 0.63 0.63 0.82 -2.27 0.00 0.00 179.45 179.28 3mcu h ILE 61 N -0.24 1.00 0.00 2.00 2.04 -0.72 -0.18 117.51 121.42 3mcu h ILE 61 Ca 0.01 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.40 3mcu h ILE 61 Cb 0.60 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3mcu h ILE 61 CO 0.02 0.19 -0.50 -0.33 0.00 0.00 0.00 178.15 177.53 3mcu h GLU 62 N 1.06 0.00 0.03 2.37 5.08 -0.75 -1.70 114.58 120.67 3mcu h GLU 62 Ca 0.46 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.63 3mcu h GLU 62 Cb 0.33 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.60 3mcu h GLU 62 CO -0.21 0.50 -0.75 1.49 -1.00 0.00 0.00 179.01 179.05 3mcu h GLU 63 N 0.00 0.46 -0.60 2.33 4.81 -0.49 -0.76 114.58 120.33 3mcu h GLU 63 Ca -0.01 -0.53 0.09 0.00 -0.13 0.00 0.00 59.36 58.79 3mcu h GLU 63 Cb 1.02 0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 3mcu h GLU 63 CO 0.07 1.18 0.21 0.82 -0.73 0.00 0.00 179.01 180.56 3mcu h ILE 64 N -0.03 0.76 0.00 2.32 2.04 -0.90 -3.16 117.51 118.55 3mcu h ILE 64 Ca -0.10 -0.13 -0.22 0.00 1.00 0.00 0.00 64.86 65.41 3mcu h ILE 64 Cb 1.46 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3mcu h ILE 64 CO 0.15 0.07 -1.55 0.35 0.00 0.00 0.00 178.15 177.16 3mcu n THR 65 N -5.01 1.34 -1.01 -0.27 -2.24 -0.65 -4.97 114.28 101.47 3mcu n THR 65 Ca 0.08 -0.73 -0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3mcu n THR 65 Cb 0.27 -0.84 -0.00 0.00 -2.10 0.00 0.00 70.33 67.66 3mcu n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mcu n GLY 66 N 1.46 0.44 3.02 3.38 0.00 -0.30 -4.70 105.19 108.49 3mcu n GLY 66 Ca -0.13 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 0.77 0.27 1.61 0.08 -1.17 -5.04 117.98 112.50 3mcu s PHE 67 Ca 0.00 -0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.60 3mcu s PHE 67 Cb 0.00 -0.50 -0.10 0.00 -0.57 0.00 0.00 43.02 41.85 3mcu s PHE 67 CO 0.00 -0.01 1.46 -1.59 -0.10 0.00 0.00 175.22 174.97 3mcu s LYS 68 N -0.22 4.24 0.30 0.44 0.00 -1.26 -4.42 119.74 118.81 3mcu s LYS 68 Ca 0.03 2.36 -0.29 0.00 0.00 0.00 0.00 55.97 58.07 3mcu s LYS 68 Cb -0.03 -3.08 -0.11 0.00 0.00 0.00 0.00 37.83 34.61 3mcu s LYS 68 CO -0.00 -0.44 1.46 0.00 0.00 0.00 0.00 175.35 176.37 3mcu s ALA 69 N -0.16 3.62 0.06 0.59 0.00 -1.26 -4.73 121.76 119.88 3mcu s ALA 69 Ca 0.59 1.42 -0.30 0.00 0.00 0.00 0.00 51.96 53.67 3mcu s ALA 69 Cb -0.43 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.06 3mcu s ALA 69 CO 0.46 -0.84 1.16 0.42 0.00 0.00 0.00 175.76 176.96 3mcu s ILE 70 N -0.42 4.13 0.00 0.00 1.01 0.42 -4.88 121.20 121.45 3mcu s ILE 70 Ca 0.57 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.77 3mcu s ILE 70 Cb -0.44 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.04 3mcu s ILE 70 CO 0.50 0.13 0.93 -0.46 0.00 0.00 0.00 174.94 176.04 3mcu n ASN 71 N 3.80 0.00 -3.86 3.58 0.23 -1.26 -0.42 115.26 117.34 3mcu n ASN 71 Ca 0.08 -1.86 -0.11 0.00 -0.53 0.00 0.00 54.58 52.16 3mcu n ASN 71 Cb 0.47 -0.17 -0.09 0.00 -2.08 0.00 0.00 39.78 37.91 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 -0.86 0.03 0.29 0.53 1.04 -1.26 -4.09 113.70 109.37 3mcu s SER 72 Ca 0.00 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.17 3mcu s SER 72 Cb 0.00 0.24 0.54 0.00 0.10 0.00 0.00 66.02 66.90 3mcu s SER 72 CO 0.00 -0.46 1.85 0.40 0.98 0.00 0.00 173.24 176.02 3mcu h ILE 73 N 3.89 0.96 -0.13 -1.02 2.04 -1.89 -1.75 117.51 119.61 3mcu h ILE 73 Ca -0.31 -0.35 -0.14 0.00 1.00 0.00 0.00 64.86 65.05 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 0.44 0.19 -0.54 0.58 0.00 0.00 0.00 178.15 178.82 3mcu h VAL 74 N 1.02 1.35 0.00 1.67 2.07 -1.97 -2.18 116.25 118.20 3mcu h VAL 74 Ca 0.47 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3mcu h VAL 74 Cb 0.41 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3mcu h VAL 74 CO -0.23 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.52 3mcu n GLY 75 N 0.17 -1.07 0.10 2.17 0.00 -0.72 -3.07 105.19 102.78 3mcu n GLY 75 Ca -0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 3mcu n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mcu n ALA 76 N -1.55 1.46 -0.33 4.61 0.00 -0.86 -4.46 120.51 119.39 3mcu n ALA 76 Ca 0.03 -1.14 0.17 0.00 0.00 0.00 0.00 53.44 52.50 3mcu n ALA 76 Cb 0.19 -0.35 0.37 0.00 0.00 0.00 0.00 19.45 19.65 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 0.43 0.00 0.00 5.08 -1.39 0.39 114.58 119.10 3mcu h GLU 77 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3mcu h GLU 77 Cb 2.14 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.30 3mcu h GLU 77 CO 0.03 0.28 0.00 -2.30 -1.00 0.00 0.00 179.01 176.02 3mcu n PRO 78 N -5.00 0.11 0.14 2.33 -0.02 -1.26 -1.09 135.00 130.21 3mcu n PRO 78 Ca 0.26 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 62.29 3mcu n PRO 78 Cb 0.76 -1.76 0.51 0.00 -0.02 0.00 0.00 33.50 32.99 3mcu n PRO 78 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3mcu n LEU 79 N -1.97 0.51 0.00 2.45 4.32 0.13 -0.87 117.00 121.56 3mcu n LEU 79 Ca 0.01 0.72 0.00 0.00 -0.02 0.00 0.00 56.01 56.72 3mcu n LEU 79 Cb 0.13 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 3mcu n LEU 79 CO 0.13 -0.83 0.00 0.61 -1.22 0.00 0.00 177.39 176.08 3mcu n GLY 80 N -1.09 0.23 0.14 -0.72 0.00 -0.25 -3.89 105.19 99.61 3mcu n GLY 80 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.41 0.00 1.61 0.13 -1.72 -3.40 132.00 129.03 3mcu h PRO 81 Ca 0.00 -0.59 -0.11 0.00 -0.87 0.00 0.00 66.00 64.43 3mcu h PRO 81 Cb 0.00 0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 3mcu h PRO 81 CO 0.00 1.25 -0.94 1.63 -0.23 0.00 0.00 178.00 179.71 3mcu n LYS 82 N -3.66 0.51 -3.54 0.86 5.02 -0.05 -4.70 118.16 112.59 3mcu n LYS 82 Ca -0.10 0.50 -0.29 0.00 -2.02 0.00 0.00 58.31 56.41 3mcu n LYS 82 Cb 0.98 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 34.22 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 -4.52 2.37 -2.20 -0.18 -5.35 -0.24 -5.03 119.36 104.21 3mcu n ILE 83 Ca -0.19 -5.16 -0.42 0.00 -0.27 0.00 0.00 62.75 56.71 3mcu n ILE 83 Cb 0.47 -2.14 -0.03 0.00 -1.74 0.00 0.00 39.64 36.20 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 -2.17 4.37 0.39 6.28 0.04 -1.25 -4.54 135.00 138.11 3mcu s PRO 84 Ca 0.35 2.06 -0.22 0.00 0.04 0.00 0.00 61.00 63.23 3mcu s PRO 84 Cb 0.08 -3.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.31 3mcu s PRO 84 CO -0.06 -0.30 0.92 -0.51 0.04 0.00 0.00 177.00 177.10 3mcu s LEU 85 N 0.19 4.07 0.23 -3.56 1.43 -1.26 -4.90 118.68 114.88 3mcu s LEU 85 Ca 0.59 1.69 0.12 0.00 -1.03 0.00 0.00 54.13 55.49 3mcu s LEU 85 Cb -0.37 -4.33 0.08 0.00 0.03 0.00 0.00 46.19 41.60 3mcu s LEU 85 CO 0.36 -0.26 1.44 0.44 0.23 0.00 0.00 176.35 178.57 3mcu h ASP 86 N 2.32 0.00 0.00 2.29 3.32 -0.99 -3.47 116.42 119.89 3mcu h ASP 86 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3mcu h ASP 86 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3mcu h ASP 86 CO 0.63 0.69 0.00 0.00 -1.72 0.00 0.00 179.24 178.84 3mcu s VAL 89 N -2.40 0.00 -0.17 0.00 1.01 0.50 -0.64 120.40 118.70 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 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3mcu s VAL 89 CO 0.00 0.00 -0.19 -0.63 0.00 0.00 0.00 175.10 174.28 3mcu s ILE 90 N 0.73 1.98 -0.30 2.22 1.01 -0.01 -0.40 121.20 126.43 3mcu s ILE 90 Ca -0.02 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 3mcu s ILE 90 Cb -0.04 -1.80 0.16 0.00 0.01 0.00 0.00 42.46 40.79 3mcu s ILE 90 CO -0.11 0.53 0.87 0.00 0.00 0.00 0.00 174.94 176.23 3mcu s ALA 91 N 1.31 -2.58 0.63 9.38 0.00 -0.33 -1.61 121.76 128.55 3mcu s ALA 91 Ca 0.05 2.03 -0.14 0.00 0.00 0.00 0.00 51.96 53.90 3mcu s ALA 91 Cb -0.13 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 3mcu s ALA 91 CO -0.12 -1.05 1.05 -1.25 0.00 0.00 0.00 175.76 174.39 3mcu s PRO 92 N 2.66 3.21 -0.35 0.00 0.04 -1.26 -4.49 135.00 134.82 3mcu s PRO 92 Ca -0.01 1.08 -0.08 0.00 0.04 0.00 0.00 61.00 62.03 3mcu s PRO 92 Cb -0.09 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.46 3mcu s PRO 92 CO -0.18 -0.89 0.14 -1.17 0.04 0.00 0.00 177.00 174.95 3mcu s LEU 93 N -4.89 4.41 0.77 -3.56 1.98 -0.18 -2.93 118.68 114.28 3mcu s LEU 93 Ca 0.61 -1.02 -0.11 0.00 -2.89 0.00 0.00 54.13 50.72 3mcu s LEU 93 Cb -0.15 -1.93 0.06 0.00 0.66 0.00 0.00 46.19 44.83 3mcu s LEU 93 CO 0.44 -0.33 1.08 0.42 -1.89 0.00 0.00 176.35 176.07 3mcu s THR 94 N 1.48 3.39 0.21 3.68 -4.23 -1.26 -1.77 115.64 117.13 3mcu s THR 94 Ca 0.00 0.45 -0.10 0.00 -1.18 0.00 0.00 61.69 60.87 3mcu s THR 94 Cb -0.19 -3.07 0.14 0.00 1.34 0.00 0.00 72.50 70.72 3mcu s THR 94 CO 0.04 -0.59 1.84 1.23 -0.54 0.00 0.00 174.62 176.60 3mcu h GLY 95 N -1.06 1.00 0.75 3.99 0.00 -1.95 -2.92 103.07 102.88 3mcu h GLY 95 Ca -0.45 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 46.60 3mcu h GLY 95 CO 0.55 0.25 0.13 -0.57 0.00 0.00 0.00 176.54 176.89 3mcu h ASN 96 N 0.81 0.15 0.00 0.19 -1.24 -1.94 -1.20 115.58 112.35 3mcu h ASN 96 Ca 0.28 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.32 3mcu h ASN 96 Cb 0.06 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.12 3mcu h ASN 96 CO -0.13 0.12 0.00 -1.20 -1.29 0.00 0.00 177.43 174.94 3mcu n SER 97 N -5.00 2.44 0.00 1.15 7.64 -1.10 -1.95 113.62 116.79 3mcu n SER 97 Ca 0.00 -1.49 0.00 0.00 1.01 0.00 0.00 58.87 58.39 3mcu n SER 97 Cb 0.11 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 1.08 0.00 -0.09 6.43 2.88 -0.46 -0.10 113.62 123.37 3mcu n SER 99 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3mcu n SER 99 Cb 0.31 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.43 -0.11 -1.46 1.57 -1.64 -2.08 116.57 113.28 3mcu h LYS 100 Ca 0.00 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3mcu h LYS 100 Cb 0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 3mcu h LYS 100 CO 0.00 0.46 -0.19 0.35 -0.57 0.00 0.00 179.45 179.51 3mcu h PHE 101 N 0.31 -0.48 -0.23 -1.35 3.57 -0.78 -1.08 116.94 116.89 3mcu h PHE 101 Ca 0.09 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.68 3mcu h PHE 101 Cb 0.20 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3mcu h PHE 101 CO -0.00 -0.26 0.16 0.00 -2.23 0.00 0.00 178.31 175.98 3mcu h ALA 102 N 0.76 2.15 -0.16 2.41 0.00 -1.76 -0.40 119.26 122.27 3mcu h ALA 102 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mcu h ALA 102 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3mcu h ALA 102 CO -0.25 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 178.88 3mcu n ASN 103 N -4.48 2.39 -2.20 0.00 4.13 -0.80 -4.97 115.26 109.33 3mcu n ASN 103 Ca 0.02 -1.80 -0.04 0.00 1.68 0.00 0.00 54.58 54.44 3mcu n ASN 103 Cb 0.28 -0.09 -0.03 0.00 -1.54 0.00 0.00 39.78 38.39 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 0.82 -3.45 -1.91 5.41 0.00 -0.16 -5.06 120.51 116.17 3mcu n ALA 104 Ca 0.17 1.58 -0.02 0.00 0.00 0.00 0.00 53.44 55.18 3mcu n ALA 104 Cb 0.47 -3.10 -0.00 0.00 0.00 0.00 0.00 19.45 16.81 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 1.12 0.00 0.40 0.00 -2.24 -1.26 -5.03 114.28 107.27 3mcu n THR 106 Ca -0.27 -0.08 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 3mcu n THR 106 Cb 0.42 0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.13 3.58 -3.62 3.42 5.68 -1.26 -4.75 116.55 119.48 3mcu n ASP 107 Ca -0.07 -2.34 -0.14 0.00 -0.50 0.00 0.00 54.79 51.74 3mcu n ASP 107 Cb 0.44 -0.65 -0.06 0.00 -1.14 0.00 0.00 41.12 39.71 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 0.72 -0.38 0.30 -1.12 1.04 -1.26 -5.05 113.70 107.95 3mcu s SER 108 Ca 0.10 0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.70 3mcu s SER 108 Cb 0.08 0.45 0.55 0.00 0.10 0.00 0.00 66.02 67.21 3mcu s SER 108 CO 0.02 -0.66 1.89 -0.65 0.98 0.00 0.00 173.24 174.81 3mcu h PRO 109 N 2.99 0.98 -0.19 4.02 0.11 -1.83 -2.80 132.00 135.27 3mcu h PRO 109 Ca -0.30 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.58 3mcu h PRO 109 Cb 1.20 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3mcu h PRO 109 CO 0.42 0.65 -0.52 0.28 -0.21 0.00 0.00 178.00 178.62 3mcu h VAL 110 N 1.01 1.31 0.00 3.15 2.07 -1.89 -1.37 116.25 120.54 3mcu h VAL 110 Ca 0.42 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.20 3mcu h VAL 110 Cb 0.31 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3mcu h VAL 110 CO -0.18 0.55 0.00 0.18 0.02 0.00 0.00 177.57 178.14 3mcu n LEU 111 N -4.14 0.53 0.00 2.57 4.77 -1.06 -1.38 117.00 118.29 3mcu n LEU 111 Ca -0.06 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 3mcu n LEU 111 Cb 0.61 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3mcu n LEU 111 CO 0.48 0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.64 3mcu n ALA 113 N 0.71 0.00 -0.24 -1.18 0.00 -0.52 -1.34 120.51 117.94 3mcu n ALA 113 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3mcu n ALA 113 Cb 0.09 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.59 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 0.89 -0.37 0.00 0.00 -1.50 -2.54 119.26 115.74 3mcu h ALA 114 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3mcu h ALA 114 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3mcu h ALA 114 CO 0.00 0.53 0.08 -0.22 0.00 0.00 0.00 179.25 179.64 3mcu h LYS 115 N 0.98 0.59 0.00 0.00 3.64 -1.48 -2.20 116.57 118.10 3mcu h LYS 115 Ca 0.22 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3mcu h LYS 115 Cb 0.25 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3mcu h LYS 115 CO -0.01 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.81 3mcu h ALA 116 N 0.92 1.00 0.12 5.00 0.00 -1.78 -0.42 119.26 124.11 3mcu h ALA 116 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 3mcu h ALA 116 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3mcu h ALA 116 CO 0.00 0.00 -1.75 1.15 0.00 0.00 0.00 179.25 178.66 3mcu h THR 117 N 0.00 0.81 0.00 0.00 2.02 -1.11 -3.35 112.91 111.27 3mcu h THR 117 Ca 0.00 -2.37 -0.05 0.00 0.77 0.00 0.00 66.41 64.76 3mcu h THR 117 Cb 0.19 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 3mcu h THR 117 CO 0.00 0.79 -0.23 -0.07 0.37 0.00 0.00 175.52 176.38 3mcu h LEU 118 N -0.11 0.00 -1.63 2.58 3.38 -0.99 -2.16 115.31 116.38 3mcu h LEU 118 Ca -0.37 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.82 3mcu h LEU 118 Cb 1.92 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.61 3mcu h LEU 118 CO 0.07 0.23 0.61 -0.09 0.09 0.00 0.00 178.44 179.35 3mcu h ARG 119 N 0.00 0.29 -0.56 1.13 2.43 -1.22 -2.51 114.38 113.94 3mcu h ARG 119 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3mcu h ARG 119 Cb 0.66 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3mcu h ARG 119 CO 0.03 0.19 0.00 0.09 -1.51 0.00 0.00 179.97 178.77 3mcu n ASN 120 N -4.46 3.49 -0.89 -3.80 3.02 -0.86 -4.94 115.26 106.83 3mcu n ASN 120 Ca 0.19 -2.00 -0.10 0.00 -0.03 0.00 0.00 54.58 52.64 3mcu n ASN 120 Cb 0.77 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.13 0.68 3.94 7.41 0.00 -0.94 -5.02 105.19 112.38 3mcu n GLY 121 Ca 0.19 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.47 3.46 0.28 1.61 -0.14 -0.92 -4.95 119.74 115.61 3mcu s LYS 122 Ca 0.00 -0.53 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 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 1.16 -1.25 -0.76 0.00 0.00 175.35 174.99 3mcu s PRO 123 N -3.22 4.56 -0.13 -1.68 0.04 -1.26 -4.21 135.00 129.11 3mcu s PRO 123 Ca 0.35 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.31 3mcu s PRO 123 Cb -0.11 -3.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 3mcu s PRO 123 CO 0.29 0.09 -0.18 0.08 0.04 0.00 0.00 177.00 177.32 3mcu s VAL 124 N -1.05 2.47 -0.16 -0.36 1.01 -0.32 -4.28 120.40 117.70 3mcu s VAL 124 Ca 0.46 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3mcu s VAL 124 Cb -0.34 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3mcu s VAL 124 CO 0.43 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 175.31 3mcu s VAL 125 N 0.59 3.53 -0.08 2.92 1.01 -1.26 -0.48 120.40 126.63 3mcu s VAL 125 Ca -0.11 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3mcu s VAL 125 Cb -0.16 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3mcu s VAL 125 CO 0.03 0.48 -0.16 -0.76 0.00 0.00 0.00 175.10 174.70 3mcu s LEU 126 N 0.61 2.59 -0.50 3.92 1.43 0.47 -0.83 118.68 126.37 3mcu s LEU 126 Ca -0.04 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3mcu s LEU 126 Cb -0.15 -1.53 0.13 0.00 0.03 0.00 0.00 46.19 44.67 3mcu s LEU 126 CO 0.03 0.27 0.30 0.00 0.23 0.00 0.00 176.35 177.18 3mcu s ALA 127 N -0.27 3.34 0.58 4.21 0.00 -0.63 -1.06 121.76 127.93 3mcu s ALA 127 Ca 0.01 -2.82 -0.19 0.00 0.00 0.00 0.00 51.96 48.96 3mcu s ALA 127 Cb -0.13 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 3mcu s ALA 127 CO 0.03 -1.93 1.23 0.14 0.00 0.00 0.00 175.76 175.23 3mcu s VAL 128 N 0.68 2.54 -0.37 0.00 -7.23 -1.26 -1.01 120.40 113.75 3mcu s VAL 128 Ca 0.11 0.35 0.06 0.00 -1.81 0.00 0.00 61.98 60.70 3mcu s VAL 128 Cb -0.22 -3.15 0.19 0.00 0.56 0.00 0.00 36.38 33.76 3mcu s VAL 128 CO -0.04 -0.06 0.65 -0.55 -0.31 0.00 0.00 175.10 174.79 3mcu s SER 129 N -1.48 -1.48 -0.11 4.85 0.15 -0.73 -0.29 113.70 114.61 3mcu s SER 129 Ca 0.76 -0.46 -0.15 0.00 0.70 0.00 0.00 55.95 56.80 3mcu s SER 129 Cb -0.32 1.89 0.04 0.00 -1.71 0.00 0.00 66.02 65.92 3mcu s SER 129 CO 0.35 -0.20 0.40 0.28 1.20 0.00 0.00 173.24 175.27 3mcu s THR 130 N 2.16 0.02 -2.08 6.45 -1.32 -1.26 -3.76 115.64 115.85 3mcu s THR 130 Ca 0.15 -0.14 0.27 0.00 -1.21 0.00 0.00 61.69 60.76 3mcu s THR 130 Cb -0.05 -0.61 0.74 0.00 -1.51 0.00 0.00 72.50 71.07 3mcu s THR 130 CO -0.13 -0.08 2.00 -0.46 -2.21 0.00 0.00 174.62 173.74 3mcu n ASN 131 N 2.26 0.28 -0.30 8.08 0.23 -1.26 -3.29 115.26 121.25 3mcu n ASN 131 Ca -0.16 -1.21 0.09 0.00 -0.53 0.00 0.00 54.58 52.77 3mcu n ASN 131 Cb 0.57 -0.01 0.17 0.00 -2.08 0.00 0.00 39.78 38.43 3mcu n ASN 131 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3mcu n ASP 132 N -0.73 2.78 -0.14 0.53 5.68 -1.25 -3.40 116.55 120.02 3mcu n ASP 132 Ca 0.20 -3.03 0.08 0.00 -0.50 0.00 0.00 54.79 51.54 3mcu n ASP 132 Cb 0.14 -0.45 0.41 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 0.52 1.81 -0.59 2.12 0.00 -1.27 -0.14 119.26 121.71 3mcu h ALA 133 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mcu h ALA 133 Cb 1.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3mcu h ALA 133 CO 0.06 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.66 3mcu n LEU 134 N -4.48 4.04 0.00 0.00 4.77 -0.47 -1.88 117.00 118.97 3mcu n LEU 134 Ca 0.10 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 3mcu n LEU 134 Cb 0.28 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 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 1.09 1.02 0.30 -0.72 0.00 -0.16 -4.86 105.19 101.86 3mcu n GLY 135 Ca 0.22 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.14 0.99 3.38 -1.88 -2.78 115.31 114.88 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 0.03 -0.27 -3.20 0.09 0.00 0.00 178.44 175.09 3mcu n ASN 137 N -3.24 0.49 -0.18 -0.43 2.85 -0.64 -4.24 115.26 109.88 3mcu n ASN 137 Ca -0.01 -0.31 -0.03 0.00 -0.11 0.00 0.00 54.58 54.12 3mcu n ASN 137 Cb 0.19 0.01 0.07 0.00 1.24 0.00 0.00 39.78 41.30 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 4.98 0.74 1.99 8.20 0.00 -1.07 -1.27 103.07 116.63 3mcu h GLY 138 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 3mcu h GLY 138 CO 0.00 0.05 -0.27 -2.08 0.00 0.00 0.00 176.54 174.24 3mcu h VAL 139 N 0.44 1.20 -0.14 4.60 2.07 -1.81 -2.66 116.25 119.94 3mcu h VAL 139 Ca 0.25 -0.93 -0.14 0.00 0.82 0.00 0.00 66.70 66.70 3mcu h VAL 139 Cb 0.24 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3mcu h VAL 139 CO -0.22 0.27 -0.45 0.78 0.02 0.00 0.00 177.57 177.96 3mcu h ASN 140 N 0.01 0.64 0.00 0.57 2.35 -1.52 -1.80 115.58 115.82 3mcu h ASN 140 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 3mcu h ASN 140 Cb 0.48 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3mcu h ASN 140 CO 0.04 1.13 0.00 -0.11 -1.65 0.00 0.00 177.43 176.84 3mcu n LEU 141 N -4.25 0.00 0.00 1.61 0.00 -0.61 -2.19 117.00 111.56 3mcu n LEU 141 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.94 3mcu n LEU 141 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.99 3mcu n LEU 141 CO 0.46 0.00 0.00 -1.14 0.00 0.00 0.00 177.39 176.71 3mcu n ARG 143 N 0.08 0.00 -0.01 1.96 0.63 -0.68 -4.67 116.66 113.97 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 0.70 0.00 6.15 4.77 -0.93 -2.71 117.00 124.97 3mcu n LEU 144 Ca 0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3mcu n LEU 144 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3mcu n LEU 144 CO 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 177.39 176.18 3mcu n ALA 146 N 1.01 0.00 -2.32 -1.18 0.00 -1.26 -4.71 120.51 112.04 3mcu n ALA 146 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3mcu n ALA 146 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 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 4.80 0.18 0.00 2.01 -1.10 -5.02 115.64 116.51 3mcu s THR 147 Ca 0.00 1.01 -0.33 0.00 0.31 0.00 0.00 61.69 62.68 3mcu s THR 147 Cb 0.00 -3.81 -0.15 0.00 0.01 0.00 0.00 72.50 68.55 3mcu s THR 147 CO 0.00 0.39 1.32 0.29 -0.69 0.00 0.00 174.62 175.93 3mcu n LYS 148 N 1.23 1.55 -1.21 4.92 5.02 -1.26 -2.49 118.16 125.92 3mcu n LYS 148 Ca -0.08 0.55 -0.07 0.00 -2.02 0.00 0.00 58.31 56.69 3mcu n LYS 148 Cb 0.51 -2.16 -0.03 0.00 -0.02 0.00 0.00 35.03 33.33 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 2.33 -4.33 -4.37 4.39 3.02 -1.26 -5.00 115.26 110.03 3mcu n ASN 149 Ca 0.15 0.18 -0.33 0.00 -0.03 0.00 0.00 54.58 54.55 3mcu n ASN 149 Cb 0.26 -2.48 -0.14 0.00 -0.61 0.00 0.00 39.78 36.81 3mcu n ASN 149 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3mcu s ILE 150 N -2.12 3.03 0.12 2.41 1.01 -1.04 -1.18 121.20 123.43 3mcu s ILE 150 Ca 0.00 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.05 3mcu s ILE 150 Cb 0.00 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3mcu s ILE 150 CO 0.00 0.52 -0.17 -0.31 0.00 0.00 0.00 174.94 174.98 3mcu s TYR 151 N 0.36 1.59 -0.07 3.97 2.02 0.37 -4.83 117.35 120.76 3mcu s TYR 151 Ca -0.11 -0.48 0.04 0.00 -0.37 0.00 0.00 57.07 56.15 3mcu s TYR 151 Cb -0.16 -0.84 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 3mcu s TYR 151 CO 0.06 0.19 -0.17 -0.06 -1.57 0.00 0.00 175.55 174.00 3mcu s PHE 152 N -1.66 2.64 0.13 2.71 0.40 -1.26 -0.40 117.98 120.54 3mcu s PHE 152 Ca 0.08 -0.40 -0.31 0.00 -0.60 0.00 0.00 56.93 55.69 3mcu s PHE 152 Cb -0.08 -1.66 -0.09 0.00 0.51 0.00 0.00 43.02 41.71 3mcu s PHE 152 CO 0.04 -0.00 1.46 0.08 0.70 0.00 0.00 175.22 177.50 3mcu s VAL 153 N -0.37 3.05 0.27 -0.44 1.01 -0.23 -4.72 120.40 118.98 3mcu s VAL 153 Ca 0.03 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 62.48 3mcu s VAL 153 Cb -0.12 -3.48 -0.15 0.00 0.00 0.00 0.00 36.38 32.63 3mcu s VAL 153 CO 0.02 0.06 0.83 -2.65 0.00 0.00 0.00 175.10 173.36 3mcu n PRO 154 N 4.00 0.88 -3.98 2.72 -0.02 -1.26 -4.68 135.00 132.66 3mcu n PRO 154 Ca 0.12 0.31 -0.10 0.00 -2.02 0.00 0.00 63.50 61.82 3mcu n PRO 154 Cb 0.41 -1.56 -0.07 0.00 -0.02 0.00 0.00 33.50 32.26 3mcu n PRO 154 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3mcu s PHE 155 N -1.07 0.43 0.00 6.00 -0.12 -0.61 -0.91 117.98 121.71 3mcu s PHE 155 Ca 0.61 -0.78 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 3mcu s PHE 155 Cb -0.77 0.00 0.00 0.00 -0.63 0.00 0.00 43.02 41.63 3mcu s PHE 155 CO 0.59 -0.82 0.00 0.41 -0.05 0.00 0.00 175.22 175.35 3mcu n GLY 156 N -0.29 0.73 3.70 1.99 0.00 -0.99 -1.04 105.19 109.30 3mcu n GLY 156 Ca -0.05 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.92 4.29 0.00 1.61 -0.21 -1.26 -1.19 119.66 120.98 3mcu s GLN 157 Ca 0.00 2.09 0.22 0.00 0.02 0.00 0.00 55.36 57.68 3mcu s GLN 157 Cb 0.00 -3.40 -0.14 0.00 1.00 0.00 0.00 33.01 30.47 3mcu s GLN 157 CO 0.00 -0.53 0.89 -0.40 -2.12 0.00 0.00 175.29 173.13 3mcu n ASP 158 N 4.65 0.73 -2.74 5.90 3.85 -1.25 -0.76 116.55 126.93 3mcu n ASP 158 Ca 0.13 -0.65 -0.07 0.00 -0.71 0.00 0.00 54.79 53.49 3mcu n ASP 158 Cb 0.42 1.07 0.04 0.00 -1.35 0.00 0.00 41.12 41.31 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 -1.68 -1.89 0.28 2.12 0.00 -1.26 -4.52 120.51 113.56 3mcu n ALA 159 Ca 0.02 -1.13 0.13 0.00 0.00 0.00 0.00 53.44 52.46 3mcu n ALA 159 Cb 0.39 -1.69 0.81 0.00 0.00 0.00 0.00 19.45 18.96 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 4.10 0.00 0.04 0.00 0.11 -1.86 0.33 132.00 134.72 3mcu h PRO 160 Ca -0.11 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.72 3mcu h PRO 160 Cb 1.07 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3mcu h PRO 160 CO 0.18 0.02 -1.49 0.93 -0.21 0.00 0.00 178.00 177.44 3mcu h GLU 161 N 0.00 0.09 -0.33 1.05 4.39 -1.96 -3.32 114.58 114.50 3mcu h GLU 161 Ca -0.00 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.39 3mcu h GLU 161 Cb 0.06 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3mcu h GLU 161 CO 0.00 1.07 -0.40 0.87 -1.16 0.00 0.00 179.01 179.40 3mcu h LYS 162 N -0.65 0.85 -2.41 2.33 1.57 -1.95 -3.38 116.57 112.94 3mcu h LYS 162 Ca -0.37 -0.48 -0.59 0.00 -1.87 0.00 0.00 60.65 57.34 3mcu h LYS 162 Cb 1.54 0.03 -0.39 0.00 0.08 0.00 0.00 32.23 33.49 3mcu h LYS 162 CO -0.11 1.11 -0.89 1.63 -0.57 0.00 0.00 179.45 180.63 3mcu n LYS 163 N -4.11 0.89 -0.02 3.15 5.02 0.11 -5.00 118.16 118.20 3mcu n LYS 163 Ca -0.03 -3.61 0.17 0.00 -2.02 0.00 0.00 58.31 52.82 3mcu n LYS 163 Cb 0.55 -1.75 0.63 0.00 -0.02 0.00 0.00 35.03 34.43 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 5.05 0.13 -0.49 1.97 0.11 -1.66 -0.75 132.00 136.36 3mcu h PRO 164 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3mcu h PRO 164 Cb 0.84 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3mcu h PRO 164 CO 0.51 0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.47 3mcu n ASN 165 N -4.42 3.25 -4.33 -2.05 3.02 -1.26 -4.89 115.26 104.58 3mcu n ASN 165 Ca 0.10 -1.97 -0.28 0.00 -0.03 0.00 0.00 54.58 52.40 3mcu n ASN 165 Cb 0.52 -0.32 0.16 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.26 3.53 0.00 6.41 0.15 -0.29 -1.37 113.70 120.87 3mcu s SER 166 Ca 0.40 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.25 3mcu s SER 166 Cb 0.22 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 3mcu s SER 166 CO 0.30 -2.46 0.00 0.52 1.20 0.00 0.00 173.24 172.80 3mcu n VAL 168 N -3.52 0.00 -2.02 4.45 0.31 -0.33 -3.89 118.33 113.33 3mcu n VAL 168 Ca 0.14 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.14 3mcu n VAL 168 Cb 0.60 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.55 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 -0.81 2.66 0.93 3.52 0.00 0.60 -2.35 121.76 126.30 3mcu s ALA 169 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 3mcu s ALA 169 Cb 0.00 -3.28 0.16 0.00 0.00 0.00 0.00 23.12 20.00 3mcu s ALA 169 CO 0.00 -0.92 1.24 1.03 0.00 0.00 0.00 175.76 177.11 3mcu s ARG 170 N -3.90 0.95 0.00 0.00 0.52 -0.08 -4.95 118.95 111.48 3mcu s ARG 170 Ca 0.66 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.73 3mcu s ARG 170 Cb -0.19 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.43 3mcu s ARG 170 CO 0.36 -2.25 0.00 -0.85 0.02 0.00 0.00 175.30 172.58 3mcu n GLU 172 N -3.71 0.00 -0.32 3.54 0.00 -1.26 -4.04 120.64 114.85 3mcu n GLU 172 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.35 3mcu n GLU 172 Cb 0.60 -0.78 0.22 0.00 0.00 0.00 0.00 31.44 31.47 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 0.15 -1.84 4.77 -1.26 -4.52 117.00 117.15 3mcu n LEU 173 Ca 0.00 -1.43 -0.13 0.00 -0.03 0.00 0.00 56.01 54.41 3mcu n LEU 173 Cb 0.00 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 3mcu n LEU 173 CO 0.00 0.59 0.72 0.25 -1.33 0.00 0.00 177.39 177.63 3mcu h LEU 174 N 2.69 -0.57 -0.82 2.23 6.46 -1.99 -1.41 115.31 121.90 3mcu h LEU 174 Ca 0.00 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 3mcu h LEU 174 Cb 0.82 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.91 3mcu h LEU 174 CO 0.07 -0.31 0.39 -0.33 -0.62 0.00 0.00 178.44 177.64 3mcu h GLU 175 N -0.45 1.18 -0.56 1.25 3.07 -1.97 -1.29 114.58 115.82 3mcu h GLU 175 Ca 0.00 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 3mcu h GLU 175 Cb 0.43 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 3mcu h GLU 175 CO -0.06 0.91 0.31 -0.44 -1.40 0.00 0.00 179.01 178.34 3mcu h ASP 176 N 1.16 0.68 -0.14 1.42 3.45 -1.81 -1.92 116.42 119.25 3mcu h ASP 176 Ca 0.28 -0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.65 3mcu h ASP 176 Cb 0.13 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3mcu h ASP 176 CO -0.03 0.54 -0.11 0.74 -1.57 0.00 0.00 179.24 178.81 3mcu h THR 177 N 0.78 1.33 0.00 0.35 2.02 -0.42 -2.62 112.91 114.35 3mcu h THR 177 Ca 0.20 -1.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.09 3mcu h THR 177 Cb 0.01 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3mcu h THR 177 CO -0.03 0.36 -0.35 -0.37 0.37 0.00 0.00 175.52 175.50 3mcu h VAL 178 N -0.03 1.08 -0.53 3.16 -1.51 -1.13 -0.57 116.25 116.72 3mcu h VAL 178 Ca 0.03 -1.26 -0.00 0.00 -1.23 0.00 0.00 66.70 64.23 3mcu h VAL 178 Cb 0.61 1.71 -0.03 0.00 -2.13 0.00 0.00 31.29 31.46 3mcu h VAL 178 CO 0.03 0.34 0.32 -0.07 -1.23 0.00 0.00 177.57 176.96 3mcu h LEU 179 N 0.00 0.64 -0.60 4.19 3.38 -1.28 -1.08 115.31 120.56 3mcu h LEU 179 Ca -0.00 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3mcu h LEU 179 Cb 0.68 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3mcu h LEU 179 CO 0.05 0.51 -0.23 -0.33 0.09 0.00 0.00 178.44 178.53 3mcu h GLU 180 N 0.71 0.86 -0.44 1.13 4.39 -1.16 -3.24 114.58 116.84 3mcu h GLU 180 Ca 0.19 -0.36 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 3mcu h GLU 180 Cb -0.01 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3mcu h GLU 180 CO -0.04 1.00 -0.06 0.00 -1.16 0.00 0.00 179.01 178.75 3mcu h ALA 181 N 0.99 1.05 0.00 3.43 0.00 -0.70 0.92 119.26 124.95 3mcu h ALA 181 Ca 0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3mcu h ALA 181 Cb 0.77 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3mcu h ALA 181 CO 0.06 0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 179.82 3mcu h LEU 182 N 0.71 0.00 -1.66 0.00 3.38 -1.23 0.40 115.31 116.91 3mcu h LEU 182 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3mcu h LEU 182 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3mcu h LEU 182 CO 0.03 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3mcu n GLN 183 N -3.52 2.08 -2.29 1.13 6.02 -0.65 -4.95 117.38 115.20 3mcu n GLN 183 Ca -0.03 -1.64 -0.11 0.00 -0.01 0.00 0.00 57.00 55.22 3mcu n GLN 183 Cb 0.10 -1.44 -0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 1.29 -0.05 3.32 1.08 0.00 0.14 -5.04 105.19 105.93 3mcu n GLY 184 Ca 0.17 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.65 1.45 -0.17 1.61 -0.14 0.23 -4.97 119.74 113.10 3mcu s LYS 185 Ca 0.03 -1.13 -0.24 0.00 -1.36 0.00 0.00 55.97 53.27 3mcu s LYS 185 Cb -0.01 -1.71 -0.02 0.00 -1.68 0.00 0.00 37.83 34.41 3mcu s LYS 185 CO 0.04 0.42 0.77 -1.14 -0.76 0.00 0.00 175.35 174.68 3mcu s GLN 186 N -1.55 4.29 0.16 1.68 2.00 -1.26 -2.83 119.66 122.15 3mcu s GLN 186 Ca 0.10 0.90 -0.31 0.00 -2.00 0.00 0.00 55.36 54.04 3mcu s GLN 186 Cb -0.10 -3.56 -0.11 0.00 0.80 0.00 0.00 33.01 30.04 3mcu s GLN 186 CO 0.03 -0.27 1.80 -1.17 -0.50 0.00 0.00 175.29 175.19 3mcu s LEU 187 N 1.97 4.39 0.14 3.68 2.96 -1.26 -5.01 118.68 125.55 3mcu s LEU 187 Ca 0.36 2.82 0.08 0.00 -0.22 0.00 0.00 54.13 57.17 3mcu s LEU 187 Cb -0.16 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3mcu s LEU 187 CO 0.12 -1.00 -0.12 -1.10 -1.32 0.00 0.00 176.35 172.93 3mcu s GLN 188 N 2.15 2.02 0.33 1.98 -1.52 -1.26 -3.72 119.66 119.64 3mcu s GLN 188 Ca 0.79 -1.17 -0.28 0.00 -1.95 0.00 0.00 55.36 52.75 3mcu s GLN 188 Cb -0.48 -2.19 -0.09 0.00 -0.22 0.00 0.00 33.01 30.02 3mcu s GLN 188 CO 0.35 0.47 1.18 -1.25 -0.25 0.00 0.00 175.29 175.78 3mcu s PRO 189 N -2.48 4.39 -0.01 2.91 0.04 -1.26 -5.12 135.00 133.47 3mcu s PRO 189 Ca 0.22 1.92 0.17 0.00 0.04 0.00 0.00 61.00 63.36 3mcu s PRO 189 Cb -0.10 -3.00 -0.19 0.00 0.04 0.00 0.00 34.50 31.24 3mcu s PRO 189 CO 0.14 -0.05 0.61 1.55 0.04 0.00 0.00 177.00 179.29 3mcu n VAL 190 N 0.75 1.11 -3.65 -0.36 3.14 -1.24 -4.73 118.33 113.35 3mcu n VAL 190 Ca 0.01 -0.71 -0.38 0.00 -2.96 0.00 0.00 64.34 60.30 3mcu n VAL 190 Cb 0.44 -0.61 -0.12 0.00 -1.06 0.00 0.00 33.84 32.50 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 -2.89 4.82 0.23 1.55 1.01 -1.26 -1.57 120.40 122.29 3mcu s VAL 191 Ca -0.05 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3mcu s VAL 191 Cb 0.09 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 3mcu s VAL 191 CO 0.83 0.22 0.09 0.68 0.00 0.00 0.00 175.10 176.92 3mcu s VAL 192 N 1.68 0.43 -1.10 2.92 -7.23 -0.20 -4.94 120.40 111.95 3mcu s VAL 192 Ca 0.06 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.09 3mcu s VAL 192 Cb -0.16 -2.52 0.17 0.00 0.56 0.00 0.00 36.38 34.43 3mcu s VAL 192 CO 0.07 -0.08 1.28 -1.61 -0.31 0.00 0.00 175.10 174.46 3mcu s GLU 193 N -4.05 3.93 0.44 4.82 2.02 -1.26 -3.84 118.70 120.75 3mcu s GLU 193 Ca 0.36 -2.39 0.10 0.00 0.02 0.00 0.00 54.97 53.06 3mcu s GLU 193 Cb 0.07 -4.94 0.97 0.00 0.10 0.00 0.00 34.13 30.34 3mcu s GLU 193 CO 0.12 -1.70 2.07 -0.22 0.02 0.00 0.00 175.26 175.55 3mcu h LYS 194 N 7.65 0.40 0.00 1.61 1.63 -1.82 -1.16 116.57 124.88 3mcu h LYS 194 Ca 0.25 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3mcu h LYS 194 Cb 0.93 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 3mcu h LYS 194 CO 1.16 0.26 0.00 1.97 -3.45 0.00 0.00 179.45 179.39 3mcu n PHE 195 N -4.49 0.43 1.17 1.91 1.16 0.06 -1.02 117.46 116.68 3mcu n PHE 195 Ca 0.02 0.20 0.07 0.00 -1.87 0.00 0.00 57.45 55.88 3mcu n PHE 195 Cb 0.10 -0.82 0.26 0.00 -1.61 0.00 0.00 39.48 37.40 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 -1.92 1.67 -3.60 3.97 1.74 -0.44 -4.96 116.66 113.13 3mcu n ARG 196 Ca 0.00 -1.02 -0.29 0.00 -0.77 0.00 0.00 57.85 55.77 3mcu n ARG 196 Cb 0.09 -1.30 -0.14 0.00 -1.02 0.00 0.00 32.46 30.09 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 -1.70 1.09 -0.02 -1.55 1.51 -0.19 -5.09 117.35 111.41 3mcu s TYR 197 Ca 0.26 -1.60 -0.00 0.00 -1.01 0.00 0.00 57.07 54.72 3mcu s TYR 197 Cb 0.13 -1.29 -0.01 0.00 -0.11 0.00 0.00 41.96 40.69 3mcu s TYR 197 CO 0.19 -0.83 0.12 0.09 -1.11 0.00 0.00 175.55 174.01 3mcu n ASN 199 N 4.49 -0.19 -0.88 2.29 3.02 -1.26 -5.09 115.26 117.65 3mcu n ASN 199 Ca 0.03 -0.12 0.12 0.00 -0.03 0.00 0.00 54.58 54.58 3mcu n ASN 199 Cb 0.39 -0.06 0.17 0.00 -0.61 0.00 0.00 39.78 39.68 3mcu n ASN 199 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82