#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fba s GLU 0 N 0.00 4.35 0.01 1.96 2.12 -1.26 -4.94 118.70 120.94 3fba s GLU 0 Ca 0.00 0.56 0.04 0.00 0.36 0.00 0.00 54.97 55.93 3fba s GLU 0 Cb 0.00 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 3fba s GLU 0 CO 0.00 0.16 -0.08 -1.64 -0.54 0.00 0.00 175.26 173.16 3fba s MET 1 N 0.58 2.49 -0.03 4.30 -1.94 -1.26 -0.27 119.30 123.18 3fba s MET 1 Ca 0.29 -0.75 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 3fba s MET 1 Cb -0.16 -2.46 0.01 0.00 2.01 0.00 0.00 34.83 34.23 3fba s MET 1 CO 0.13 0.59 -0.07 1.03 -0.01 0.00 0.00 175.02 176.69 3fba s ARG 2 N -1.40 0.81 -0.01 2.03 0.52 0.36 -4.97 118.95 116.28 3fba s ARG 2 Ca 0.17 -0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 55.14 3fba s ARG 2 Cb -0.11 -0.78 -0.04 0.00 0.52 0.00 0.00 34.95 34.54 3fba s ARG 2 CO 0.07 0.04 0.18 -1.50 0.02 0.00 0.00 175.30 174.11 3fba s ILE 3 N 0.39 5.41 0.01 1.52 2.07 -1.26 -0.16 121.20 129.19 3fba s ILE 3 Ca -0.05 -0.15 -0.04 0.00 -1.41 0.00 0.00 60.65 59.00 3fba s ILE 3 Cb -0.10 -3.52 -0.01 0.00 0.13 0.00 0.00 42.46 38.97 3fba s ILE 3 CO 0.00 0.34 0.06 -0.83 -1.91 0.00 0.00 174.94 172.61 3fba s GLY 4 N -1.89 0.13 0.06 1.50 0.00 0.07 -3.95 107.32 103.24 3fba s GLY 4 Ca 0.27 -0.32 0.06 0.00 0.00 0.00 0.00 44.72 44.72 3fba s GLY 4 CO 0.18 -0.43 -0.16 -1.58 0.00 0.00 0.00 173.10 171.11 3fba s HIS 5 N -1.38 1.39 0.02 1.90 2.46 -1.25 -0.86 115.29 117.57 3fba s HIS 5 Ca -0.15 -0.39 -0.05 0.00 0.47 0.00 0.00 55.06 54.95 3fba s HIS 5 Cb -0.08 -0.81 -0.01 0.00 -0.13 0.00 0.00 32.58 31.55 3fba s HIS 5 CO 0.00 0.07 0.08 0.20 -2.47 0.00 0.00 174.74 172.62 3fba s GLY 6 N -1.39 0.14 -0.07 1.59 0.00 -0.08 -3.68 107.32 103.83 3fba s GLY 6 Ca 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 44.72 44.28 3fba s GLY 6 CO 0.02 -0.50 0.23 -0.12 0.00 0.00 0.00 173.10 172.73 3fba s PHE 7 N -1.71 -0.22 -0.10 1.90 5.36 -1.26 -1.37 117.98 120.58 3fba s PHE 7 Ca -0.13 0.52 -0.21 0.00 -0.96 0.00 0.00 56.93 56.15 3fba s PHE 7 Cb -0.07 0.07 0.05 0.00 -0.34 0.00 0.00 43.02 42.73 3fba s PHE 7 CO -0.01 -0.16 0.51 0.34 -1.46 0.00 0.00 175.22 174.44 3fba s ASP 8 N -0.15 -0.48 -0.01 6.13 2.15 -0.74 -4.72 116.67 118.86 3fba s ASP 8 Ca -0.03 0.68 0.02 0.00 0.43 0.00 0.00 52.55 53.65 3fba s ASP 8 Cb -0.03 0.70 -0.00 0.00 -0.30 0.00 0.00 42.92 43.30 3fba s ASP 8 CO 0.01 -0.38 -0.05 -0.69 -0.17 0.00 0.00 175.17 173.89 3fba s VAL 9 N -0.60 0.40 -0.00 1.11 1.01 -1.26 -0.77 120.40 120.28 3fba s VAL 9 Ca -0.07 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3fba s VAL 9 Cb -0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 3fba s VAL 9 CO 0.04 0.12 -0.04 -1.00 0.00 0.00 0.00 175.10 174.22 3fba s HIS 10 N -0.08 0.33 0.33 5.22 3.76 -0.70 -5.01 115.29 119.14 3fba s HIS 10 Ca 0.01 -0.09 -0.17 0.00 -0.15 0.00 0.00 55.06 54.67 3fba s HIS 10 Cb -0.02 -0.21 -0.09 0.00 1.11 0.00 0.00 32.58 33.36 3fba s HIS 10 CO -0.00 -0.01 0.77 0.00 -0.85 0.00 0.00 174.74 174.65 3fba s ALA 11 N -0.17 3.29 0.39 -1.40 0.00 -1.26 -1.33 121.76 121.27 3fba s ALA 11 Ca 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.85 3fba s ALA 11 Cb -0.02 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 3fba s ALA 11 CO -0.00 0.30 1.02 -0.06 0.00 0.00 0.00 175.76 177.02 3fba s PHE 12 N -1.94 3.36 0.00 0.00 0.08 -0.25 -0.95 117.98 118.28 3fba s PHE 12 Ca 0.54 1.67 0.00 0.00 0.12 0.00 0.00 56.93 59.26 3fba s PHE 12 Cb -0.11 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 3fba s PHE 12 CO 0.17 -0.41 0.00 0.41 -0.10 0.00 0.00 175.22 175.29 3fba n GLY 13 N 0.29 0.99 4.17 4.36 0.00 0.91 -4.68 105.19 111.23 3fba n GLY 13 Ca 0.05 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.72 3fba n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fba n GLY 14 N -0.04 -1.96 3.78 -0.02 0.00 -1.26 -2.55 105.19 103.13 3fba n GLY 14 Ca 0.00 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 3fba n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fba s GLU 15 N -0.56 4.55 1.33 1.61 2.02 -1.26 -1.43 118.70 124.95 3fba s GLU 15 Ca 0.00 1.38 -0.19 0.00 0.02 0.00 0.00 54.97 56.18 3fba s GLU 15 Cb 0.00 -2.81 0.34 0.00 0.10 0.00 0.00 34.13 31.75 3fba s GLU 15 CO 0.00 0.24 0.97 0.20 0.02 0.00 0.00 175.26 176.69 3fba s GLY 16 N -1.56 1.46 0.08 -1.39 0.00 -1.24 -3.29 107.32 101.38 3fba s GLY 16 Ca 0.50 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.62 3fba s GLY 16 CO 0.25 0.31 0.11 -1.55 0.00 0.00 0.00 173.10 172.22 3fba n PRO 17 N -5.35 0.15 -4.43 2.90 -0.04 -1.26 -4.85 135.00 122.11 3fba n PRO 17 Ca 0.09 -0.21 -0.24 0.00 -0.04 0.00 0.00 63.50 63.10 3fba n PRO 17 Cb 0.58 -0.10 -0.11 0.00 -0.04 0.00 0.00 33.50 33.83 3fba n PRO 17 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3fba s ILE 18 N -0.79 2.30 -0.23 0.52 -4.36 -0.58 -4.54 121.20 113.52 3fba s ILE 18 Ca 0.06 -2.22 -0.04 0.00 -0.26 0.00 0.00 60.65 58.20 3fba s ILE 18 Cb -0.00 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.54 3fba s ILE 18 CO 0.04 -0.31 -0.04 -0.63 0.24 0.00 0.00 174.94 174.24 3fba s ILE 19 N -2.22 3.29 -0.09 8.37 -1.09 -1.26 -0.65 121.20 127.54 3fba s ILE 19 Ca 0.25 -0.65 -0.00 0.00 -2.23 0.00 0.00 60.65 58.02 3fba s ILE 19 Cb -0.06 -2.55 0.02 0.00 -1.58 0.00 0.00 42.46 38.29 3fba s ILE 19 CO 0.12 0.34 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.48 3fba s ILE 20 N 1.44 0.83 -1.62 2.92 -1.09 -0.60 -3.77 121.20 119.31 3fba s ILE 20 Ca 0.04 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 3fba s ILE 20 Cb -0.15 -0.88 0.00 0.00 -1.58 0.00 0.00 42.46 39.85 3fba s ILE 20 CO -0.03 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 3fba n GLY 21 N 4.87 -0.08 1.51 6.18 0.00 -1.26 -2.10 105.19 114.31 3fba n GLY 21 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3fba n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fba n GLY 22 N -0.98 3.12 3.74 -0.02 0.00 -1.26 -4.38 105.19 105.40 3fba n GLY 22 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3fba n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fba s VAL 23 N -2.10 4.93 -0.33 1.61 1.01 -0.89 -5.02 120.40 119.62 3fba s VAL 23 Ca 0.00 1.43 -0.29 0.00 0.00 0.00 0.00 61.98 63.12 3fba s VAL 23 Cb 0.00 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.37 3fba s VAL 23 CO 0.00 0.33 1.06 -0.60 0.00 0.00 0.00 175.10 175.88 3fba s ARG 24 N 0.31 4.04 -0.12 2.72 3.52 -1.26 -1.56 118.95 126.60 3fba s ARG 24 Ca 0.36 1.01 0.01 0.00 -0.13 0.00 0.00 55.73 56.97 3fba s ARG 24 Cb -0.18 -3.75 -0.01 0.00 -1.56 0.00 0.00 34.95 29.44 3fba s ARG 24 CO 0.19 -0.91 -0.14 0.42 -0.81 0.00 0.00 175.30 174.04 3fba s ILE 25 N 3.64 2.95 0.22 4.11 1.01 0.17 -4.95 121.20 128.35 3fba s ILE 25 Ca 0.45 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 3fba s ILE 25 Cb -0.12 -2.22 -0.09 0.00 0.01 0.00 0.00 42.46 40.04 3fba s ILE 25 CO 0.16 0.54 1.16 -2.16 0.00 0.00 0.00 174.94 174.63 3fba s PRO 26 N 0.23 4.55 0.03 2.79 0.04 -1.26 -1.53 135.00 139.84 3fba s PRO 26 Ca -0.09 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 62.52 3fba s PRO 26 Cb -0.16 -3.22 0.07 0.00 0.04 0.00 0.00 34.50 31.23 3fba s PRO 26 CO 0.05 0.03 0.64 -0.47 0.04 0.00 0.00 177.00 177.30 3fba s TYR 27 N -0.51 -0.60 0.32 0.56 5.04 -1.26 -4.91 117.35 115.99 3fba s TYR 27 Ca 0.49 0.81 -0.00 0.00 -2.44 0.00 0.00 57.07 55.93 3fba s TYR 27 Cb -0.32 0.45 0.51 0.00 0.35 0.00 0.00 41.96 42.95 3fba s TYR 27 CO 0.39 -0.69 1.97 1.05 -1.34 0.00 0.00 175.55 176.93 3fba h GLU 28 N 2.66 0.97 -6.01 4.97 4.11 -1.96 -3.29 114.58 116.02 3fba h GLU 28 Ca -0.30 -0.07 -0.56 0.00 0.07 0.00 0.00 59.36 58.51 3fba h GLU 28 Cb 1.20 -0.21 -0.08 0.00 0.50 0.00 0.00 28.75 30.15 3fba h GLU 28 CO 0.39 0.66 -0.53 0.15 0.07 0.00 0.00 179.01 179.75 3fba s LYS 29 N -5.79 2.27 0.02 1.06 1.02 -1.26 -3.76 119.74 113.30 3fba s LYS 29 Ca -0.11 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.20 3fba s LYS 29 Cb 0.18 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 3fba s LYS 29 CO 0.78 0.02 0.02 0.41 -0.92 0.00 0.00 175.35 175.67 3fba n GLY 30 N -1.16 2.35 3.40 -3.33 0.00 -0.52 -3.67 105.19 102.27 3fba n GLY 30 Ca -0.02 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 3fba n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fba s LEU 31 N 0.00 3.05 -0.05 0.99 1.43 -1.23 -0.06 118.68 122.81 3fba s LEU 31 Ca 0.01 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 3fba s LEU 31 Cb -0.00 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.41 3fba s LEU 31 CO 0.01 0.08 1.56 -0.76 0.23 0.00 0.00 176.35 177.46 3fba s LEU 32 N 0.92 4.30 -0.11 1.79 1.43 -0.12 -4.82 118.68 122.07 3fba s LEU 32 Ca -0.00 2.16 -0.30 0.00 -1.03 0.00 0.00 54.13 54.96 3fba s LEU 32 Cb -0.15 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 3fba s LEU 32 CO 0.01 -0.87 0.95 0.00 0.23 0.00 0.00 176.35 176.67 3fba s ALA 33 N 3.60 -1.89 0.05 4.21 0.00 -1.26 -4.33 121.76 122.14 3fba s ALA 33 Ca 0.69 1.40 -0.24 0.00 0.00 0.00 0.00 51.96 53.82 3fba s ALA 33 Cb -0.32 -0.32 -0.16 0.00 0.00 0.00 0.00 23.12 22.32 3fba s ALA 33 CO 0.27 -0.43 1.57 0.45 0.00 0.00 0.00 175.76 177.62 3fba h HIS 34 N 2.42 0.02 -1.67 0.00 3.86 -2.02 -3.45 115.15 114.32 3fba h HIS 34 Ca -0.20 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 3fba h HIS 34 Cb 1.18 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.65 3fba h HIS 34 CO 0.29 0.19 0.00 -1.13 0.86 0.00 0.00 177.93 178.14 3fba n SER 35 N -4.99 0.00 0.00 2.45 3.41 -1.26 -4.91 113.62 108.32 3fba n SER 35 Ca -0.07 -0.55 0.06 0.00 -0.26 0.00 0.00 58.87 58.04 3fba n SER 35 Cb 0.11 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.34 3fba n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3fba n ASP 36 N -1.66 0.00 -0.32 4.04 5.68 -1.26 -4.87 116.55 118.15 3fba n ASP 36 Ca 0.00 0.28 -0.04 0.00 -0.50 0.00 0.00 54.79 54.53 3fba n ASP 36 Cb 0.00 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 39.59 3fba n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fba n GLY 37 N -0.31 0.63 3.57 6.12 0.00 -1.26 -4.53 105.19 109.42 3fba n GLY 37 Ca 0.04 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 3fba n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fba s ASP 38 N -2.94 5.53 0.30 1.61 -1.08 -1.25 -4.81 116.67 114.04 3fba s ASP 38 Ca 0.00 -1.45 0.07 0.00 -0.52 0.00 0.00 52.55 50.65 3fba s ASP 38 Cb 0.00 -2.58 0.80 0.00 -1.46 0.00 0.00 42.92 39.68 3fba s ASP 38 CO 0.00 -2.48 1.72 0.58 0.52 0.00 0.00 175.17 175.50 3fba h VAL 39 N 6.50 0.53 -0.25 1.11 2.07 -1.92 -1.99 116.25 122.30 3fba h VAL 39 Ca 0.21 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.37 3fba h VAL 39 Cb 0.96 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3fba h VAL 39 CO 1.28 0.09 -0.57 0.00 0.02 0.00 0.00 177.57 178.39 3fba h ALA 40 N 1.71 0.51 -0.00 1.67 0.00 -1.88 -2.55 119.26 118.71 3fba h ALA 40 Ca 0.60 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 3fba h ALA 40 Cb 1.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3fba h ALA 40 CO -0.49 0.69 -0.78 -0.07 0.00 0.00 0.00 179.25 178.60 3fba h LEU 41 N 0.60 0.08 0.07 0.00 3.38 -1.85 -2.11 115.31 115.48 3fba h LEU 41 Ca 0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3fba h LEU 41 Cb 1.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3fba h LEU 41 CO 0.12 0.82 -0.03 0.45 0.09 0.00 0.00 178.44 179.89 3fba h HIS 42 N 0.04 -0.09 -0.77 1.13 3.86 -1.34 0.03 115.15 118.01 3fba h HIS 42 Ca -0.02 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3fba h HIS 42 Cb 1.37 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.82 3fba h HIS 42 CO 0.01 0.14 0.51 0.00 0.86 0.00 0.00 177.93 179.45 3fba h ALA 43 N 0.61 1.49 -0.18 2.45 0.00 -1.50 -0.33 119.26 121.80 3fba h ALA 43 Ca -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3fba h ALA 43 Cb 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fba h ALA 43 CO 0.02 0.45 -0.09 1.25 0.00 0.00 0.00 179.25 180.87 3fba h LEU 44 N 1.00 0.40 -0.31 0.00 5.85 -1.21 -2.23 115.31 118.80 3fba h LEU 44 Ca 0.30 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3fba h LEU 44 Cb -0.03 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3fba h LEU 44 CO -0.08 0.72 0.07 0.74 -0.34 0.00 0.00 178.44 179.55 3fba h THR 45 N 0.07 0.85 -0.49 1.05 2.02 -0.52 -0.38 112.91 115.52 3fba h THR 45 Ca 0.04 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3fba h THR 45 Cb 0.58 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3fba h THR 45 CO 0.03 0.03 0.33 0.44 0.37 0.00 0.00 175.52 176.72 3fba h ASP 46 N 0.18 0.49 -0.25 4.18 5.19 -1.06 0.19 116.42 125.33 3fba h ASP 46 Ca 0.15 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.42 3fba h ASP 46 Cb 0.16 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 3fba h ASP 46 CO -0.19 0.34 -0.36 0.00 -3.12 0.00 0.00 179.24 175.91 3fba h ALA 47 N 1.71 0.39 0.25 3.45 0.00 -0.78 -0.54 119.26 123.74 3fba h ALA 47 Ca 0.20 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3fba h ALA 47 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fba h ALA 47 CO -0.05 0.46 -0.12 -0.07 0.00 0.00 0.00 179.25 179.47 3fba h LEU 48 N 0.42 -0.28 -0.59 0.00 3.38 -0.45 -2.13 115.31 115.65 3fba h LEU 48 Ca 0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3fba h LEU 48 Cb 0.95 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3fba h LEU 48 CO 0.08 -0.13 0.33 -0.07 0.09 0.00 0.00 178.44 178.75 3fba h LEU 49 N -0.43 0.73 -0.47 1.67 3.38 -0.70 -2.52 115.31 116.97 3fba h LEU 49 Ca -0.03 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.92 3fba h LEU 49 Cb 0.32 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3fba h LEU 49 CO 0.06 0.60 0.13 1.23 0.09 0.00 0.00 178.44 180.55 3fba h GLY 50 N 0.80 0.60 1.90 0.83 0.00 -1.09 -0.37 103.07 105.73 3fba h GLY 50 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 3fba h GLY 50 CO -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 176.54 176.46 3fba h ALA 51 N 1.34 1.79 -0.28 3.60 0.00 -1.04 -0.74 119.26 123.94 3fba h ALA 51 Ca 0.23 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fba h ALA 51 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fba h ALA 51 CO -0.27 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.14 3fba n ALA 52 N -2.51 2.53 -4.23 0.00 0.00 -0.60 -4.69 120.51 111.01 3fba n ALA 52 Ca -0.01 -0.54 -0.35 0.00 0.00 0.00 0.00 53.44 52.54 3fba n ALA 52 Cb 0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 3fba n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fba n ALA 53 N 0.33 -1.47 -0.68 0.00 0.00 -0.28 -4.89 120.51 113.51 3fba n ALA 53 Ca 0.10 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.49 3fba n ALA 53 Cb 0.29 -2.68 0.29 0.00 0.00 0.00 0.00 19.45 17.35 3fba n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fba n LEU 54 N -4.36 4.22 0.00 0.00 4.77 -0.25 -5.02 117.00 116.36 3fba n LEU 54 Ca -0.03 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 3fba n LEU 54 Cb 0.54 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3fba n LEU 54 CO 0.86 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 178.26 3fba n GLY 55 N 0.44 1.56 2.88 -0.72 0.00 -1.26 -4.72 105.19 103.36 3fba n GLY 55 Ca 0.22 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 3fba n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fba n ASP 56 N 4.83 -1.27 -0.21 1.61 5.68 -1.26 -3.69 116.55 122.24 3fba n ASP 56 Ca 0.00 -2.54 -0.05 0.00 -0.50 0.00 0.00 54.79 51.69 3fba n ASP 56 Cb 0.00 2.31 0.05 0.00 -1.14 0.00 0.00 41.12 42.34 3fba n ASP 56 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3fba h ILE 57 N 1.85 1.10 0.00 2.12 2.04 -1.91 -2.33 117.51 120.37 3fba h ILE 57 Ca -0.24 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3fba h ILE 57 Cb 1.00 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3fba h ILE 57 CO 0.32 0.14 0.00 0.61 0.00 0.00 0.00 178.15 179.21 3fba n GLY 58 N -1.26 -0.56 0.00 5.37 0.00 -1.26 0.19 105.19 107.67 3fba n GLY 58 Ca 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.03 3fba n GLY 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fba n LYS 59 N -0.75 1.76 -0.13 1.61 3.00 -0.97 -4.46 118.16 118.22 3fba n LYS 59 Ca 0.07 -0.03 -0.19 0.00 -0.00 0.00 0.00 58.31 58.16 3fba n LYS 59 Cb 0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 35.03 33.97 3fba n LYS 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3fba n LEU 60 N -1.48 2.90 -3.43 3.14 4.32 -0.31 -4.83 117.00 117.32 3fba n LEU 60 Ca -0.00 -0.10 -0.26 0.00 -0.02 0.00 0.00 56.01 55.62 3fba n LEU 60 Cb 0.09 -0.91 -0.09 0.00 -1.62 0.00 0.00 43.42 40.89 3fba n LEU 60 CO 0.08 0.91 -0.12 0.49 -1.22 0.00 0.00 177.39 177.53 3fba n PHE 61 N -3.33 1.61 -1.62 -1.77 3.72 0.51 -4.98 117.46 111.60 3fba n PHE 61 Ca -0.46 -3.87 -0.51 0.00 -0.05 0.00 0.00 57.45 52.56 3fba n PHE 61 Cb 0.98 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 39.09 3fba n PHE 61 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3fba n PRO 62 N 1.53 1.36 -0.28 -1.08 -0.02 -1.07 -4.53 135.00 130.90 3fba n PRO 62 Ca 0.25 0.49 0.05 0.00 -2.02 0.00 0.00 63.50 62.27 3fba n PRO 62 Cb 0.45 -2.17 0.14 0.00 -0.02 0.00 0.00 33.50 31.90 3fba n PRO 62 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3fba h ASP 63 N 5.20 -0.62 -0.06 2.55 -0.00 -1.91 -1.82 116.42 119.76 3fba h ASP 63 Ca -0.47 0.23 0.04 0.00 -0.00 0.00 0.00 57.03 56.83 3fba h ASP 63 Cb 1.32 0.46 -0.05 0.00 -0.00 0.00 0.00 39.33 41.06 3fba h ASP 63 CO 0.82 -0.25 -0.26 0.71 -0.00 0.00 0.00 179.24 180.25 3fba h THR 64 N 0.03 0.39 -2.52 1.15 1.35 -1.99 -3.49 112.91 107.84 3fba h THR 64 Ca 0.42 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.29 3fba h THR 64 Cb 0.70 0.39 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3fba h THR 64 CO -0.80 0.00 0.23 -0.90 -0.25 0.00 0.00 175.52 173.80 3fba n ASP 65 N -5.38 -1.38 -0.06 5.36 5.75 -0.68 -5.07 116.55 115.08 3fba n ASP 65 Ca -0.04 -1.91 -0.09 0.00 -0.01 0.00 0.00 54.79 52.75 3fba n ASP 65 Cb 0.29 2.29 -0.06 0.00 -1.03 0.00 0.00 41.12 42.61 3fba n ASP 65 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 3fba n PRO 66 N -0.38 0.49 -0.02 0.11 -0.04 -1.26 -2.61 135.00 131.29 3fba n PRO 66 Ca -0.05 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 3fba n PRO 66 Cb 0.38 -1.26 0.07 0.00 -0.04 0.00 0.00 33.50 32.66 3fba n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fba n ALA 67 N -2.83 2.46 -2.70 0.55 0.00 -1.26 -4.74 120.51 111.99 3fba n ALA 67 Ca -0.22 -0.66 -0.06 0.00 0.00 0.00 0.00 53.44 52.49 3fba n ALA 67 Cb 0.75 -0.51 0.04 0.00 0.00 0.00 0.00 19.45 19.73 3fba n ALA 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fba n PHE 68 N 0.84 1.43 -3.51 0.00 3.01 -1.26 -5.08 117.46 112.88 3fba n PHE 68 Ca 0.09 -2.45 -0.25 0.00 1.01 0.00 0.00 57.45 55.85 3fba n PHE 68 Cb 0.38 -0.29 -0.02 0.00 -0.01 0.00 0.00 39.48 39.54 3fba n PHE 68 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3fba s LYS 69 N -3.51 3.51 -1.42 -1.08 1.02 -1.26 -4.41 119.74 112.58 3fba s LYS 69 Ca 0.30 -0.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.91 3fba s LYS 69 Cb 0.38 -2.73 0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3fba s LYS 69 CO -0.01 0.25 0.64 0.41 -0.92 0.00 0.00 175.35 175.72 3fba n GLY 70 N -1.35 -0.31 3.48 -3.33 0.00 -1.26 -4.99 105.19 97.44 3fba n GLY 70 Ca -0.05 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3fba n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fba s ALA 71 N -3.69 2.71 0.52 4.61 0.00 -1.26 -5.11 121.76 119.54 3fba s ALA 71 Ca 0.18 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 3fba s ALA 71 Cb -0.10 -1.04 -0.07 0.00 0.00 0.00 0.00 23.12 21.91 3fba s ALA 71 CO 0.86 0.52 1.03 0.16 0.00 0.00 0.00 175.76 178.33 3fba s ASP 72 N -0.60 6.23 0.65 0.00 1.47 -1.26 -4.42 116.67 118.74 3fba s ASP 72 Ca 0.09 1.83 0.43 0.00 1.18 0.00 0.00 52.55 56.07 3fba s ASP 72 Cb -0.11 -2.54 2.35 0.00 -0.34 0.00 0.00 42.92 42.28 3fba s ASP 72 CO 0.01 -0.86 2.33 0.28 0.68 0.00 0.00 175.17 177.61 3fba h SER 73 N 1.12 0.00 0.14 2.11 0.02 -1.96 -0.96 113.55 114.02 3fba h SER 73 Ca -0.48 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.25 3fba h SER 73 Cb 1.21 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.76 3fba h SER 73 CO 0.59 0.00 -0.86 0.03 -1.14 0.00 0.00 176.83 175.45 3fba h ARG 74 N 0.00 0.55 -0.36 3.45 3.08 -1.96 -0.71 114.38 118.43 3fba h ARG 74 Ca 0.00 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 3fba h ARG 74 Cb 0.02 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3fba h ARG 74 CO 0.00 1.14 0.17 0.93 -1.07 0.00 0.00 179.97 181.14 3fba h GLU 75 N 0.35 0.52 -0.70 0.04 5.08 -1.55 -0.15 114.58 118.16 3fba h GLU 75 Ca -0.07 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3fba h GLU 75 Cb 1.48 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 3fba h GLU 75 CO 0.16 0.47 0.40 -0.07 -1.00 0.00 0.00 179.01 178.97 3fba h LEU 76 N 0.44 0.86 -0.20 1.33 3.38 -1.51 -0.39 115.31 119.21 3fba h LEU 76 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3fba h LEU 76 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fba h LEU 76 CO -0.01 0.70 0.13 0.25 0.09 0.00 0.00 178.44 179.59 3fba h LEU 77 N 0.96 0.23 -1.04 1.67 5.85 -0.89 -0.58 115.31 121.52 3fba h LEU 77 Ca 0.25 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3fba h LEU 77 Cb 0.01 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3fba h LEU 77 CO -0.04 0.17 -0.13 0.03 -0.34 0.00 0.00 178.44 178.13 3fba h ARG 78 N 0.27 0.53 -0.11 1.25 3.08 -0.79 -0.99 114.38 117.63 3fba h ARG 78 Ca 0.07 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3fba h ARG 78 Cb -0.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3fba h ARG 78 CO -0.02 0.66 -0.28 1.49 -1.07 0.00 0.00 179.97 180.75 3fba h GLU 79 N 0.49 0.39 -0.89 0.04 4.57 -0.95 -2.23 114.58 116.00 3fba h GLU 79 Ca 0.09 -0.27 0.09 0.00 -1.18 0.00 0.00 59.36 58.09 3fba h GLU 79 Cb 0.52 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.09 3fba h GLU 79 CO 0.03 0.88 0.57 0.00 -1.18 0.00 0.00 179.01 179.32 3fba h ALA 80 N 0.51 1.61 -0.02 2.92 0.00 -0.94 -2.35 119.26 120.98 3fba h ALA 80 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3fba h ALA 80 Cb 0.89 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3fba h ALA 80 CO 0.06 0.22 -0.54 2.35 0.00 0.00 0.00 179.25 181.34 3fba h TRP 81 N 0.91 0.06 -0.13 0.00 2.91 -1.05 -1.18 115.95 117.47 3fba h TRP 81 Ca 0.40 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.40 3fba h TRP 81 Cb 0.35 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.99 3fba h TRP 81 CO -0.00 0.58 0.07 0.00 -1.03 0.00 0.00 178.44 178.06 3fba h ARG 82 N 0.04 0.18 -0.19 2.65 3.08 -0.88 -0.90 114.38 118.36 3fba h ARG 82 Ca -0.00 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3fba h ARG 82 Cb 0.98 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3fba h ARG 82 CO 0.07 0.22 -0.16 0.00 -1.07 0.00 0.00 179.97 179.03 3fba h ARG 83 N 0.10 0.33 -0.18 0.04 3.08 -1.24 0.42 114.38 116.92 3fba h ARG 83 Ca 0.05 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 3fba h ARG 83 Cb 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3fba h ARG 83 CO -0.01 0.49 -0.66 0.82 -1.07 0.00 0.00 179.97 179.55 3fba h ILE 84 N 0.30 1.30 -0.19 2.04 2.04 -1.15 -2.84 117.51 119.01 3fba h ILE 84 Ca 0.06 -1.90 -0.13 0.00 1.00 0.00 0.00 64.86 63.89 3fba h ILE 84 Cb 0.47 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3fba h ILE 84 CO 0.03 0.60 -0.42 1.56 0.00 0.00 0.00 178.15 179.92 3fba h GLN 85 N 0.50 0.46 -0.71 2.37 4.20 -0.49 -2.62 115.11 118.81 3fba h GLN 85 Ca -0.02 -0.23 0.15 0.00 0.06 0.00 0.00 58.65 58.61 3fba h GLN 85 Cb 1.25 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.99 3fba h GLN 85 CO 0.13 0.79 0.48 0.00 -0.67 0.00 0.00 178.83 179.56 3fba h ALA 86 N 1.18 2.18 -0.20 3.87 0.00 -0.05 0.18 119.26 126.42 3fba h ALA 86 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fba h ALA 86 Cb 0.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3fba h ALA 86 CO 0.08 -0.37 0.00 1.63 0.00 0.00 0.00 179.25 180.59 3fba n LYS 87 N -4.46 2.09 -2.21 0.00 5.02 -1.00 -4.90 118.16 112.69 3fba n LYS 87 Ca 0.13 -0.99 -0.09 0.00 -2.02 0.00 0.00 58.31 55.35 3fba n LYS 87 Cb 0.54 -1.60 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3fba n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fba n GLY 88 N 0.38 0.03 3.83 0.72 0.00 0.64 -5.04 105.19 105.75 3fba n GLY 88 Ca 0.09 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 3fba n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fba s TYR 89 N -2.48 3.39 0.25 1.61 2.02 -1.14 -4.65 117.35 116.36 3fba s TYR 89 Ca 0.02 0.26 0.11 0.00 -0.37 0.00 0.00 57.07 57.09 3fba s TYR 89 Cb -0.01 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.73 3fba s TYR 89 CO 0.02 0.59 -0.20 0.95 -1.57 0.00 0.00 175.55 175.33 3fba s THR 90 N -1.25 2.36 0.07 -0.71 -4.23 -0.28 -4.30 115.64 107.30 3fba s THR 90 Ca 0.25 -2.29 -0.31 0.00 -1.18 0.00 0.00 61.69 58.16 3fba s THR 90 Cb -0.12 -2.22 -0.06 0.00 1.34 0.00 0.00 72.50 71.44 3fba s THR 90 CO 0.16 -0.34 1.21 -0.22 -0.54 0.00 0.00 174.62 174.88 3fba s LEU 91 N -3.26 4.37 0.00 4.79 2.96 -1.26 0.02 118.68 126.29 3fba s LEU 91 Ca 0.27 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 3fba s LEU 91 Cb -0.05 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3fba s LEU 91 CO 0.13 -0.48 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 3fba n GLY 92 N 3.21 0.71 3.60 7.98 0.00 0.20 -4.73 105.19 116.16 3fba n GLY 92 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 3fba n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fba s ASN 93 N -1.83 -0.23 0.07 1.61 4.22 -1.05 -4.90 114.94 112.82 3fba s ASN 93 Ca 0.00 -0.12 0.06 0.00 -2.14 0.00 0.00 52.86 50.66 3fba s ASN 93 Cb 0.00 0.34 -0.03 0.00 1.28 0.00 0.00 41.25 42.84 3fba s ASN 93 CO 0.00 -0.58 -0.17 0.68 -2.04 0.00 0.00 177.10 174.99 3fba s VAL 94 N -2.94 1.36 -0.05 3.54 -7.23 -0.27 -1.10 120.40 113.72 3fba s VAL 94 Ca 0.09 -1.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 3fba s VAL 94 Cb -0.00 -1.25 0.02 0.00 0.56 0.00 0.00 36.38 35.71 3fba s VAL 94 CO -0.05 -0.04 -0.07 -0.62 -0.31 0.00 0.00 175.10 174.01 3fba s ASP 95 N -1.52 1.17 -0.07 4.85 2.15 -0.14 -1.61 116.67 121.51 3fba s ASP 95 Ca 0.03 -0.18 0.06 0.00 0.43 0.00 0.00 52.55 52.89 3fba s ASP 95 Cb -0.09 -0.53 -0.01 0.00 -0.30 0.00 0.00 42.92 41.99 3fba s ASP 95 CO 0.02 -0.02 -0.25 -0.69 -0.17 0.00 0.00 175.17 174.07 3fba s VAL 96 N 0.75 2.06 -0.26 1.11 1.01 0.63 -0.62 120.40 125.07 3fba s VAL 96 Ca -0.12 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3fba s VAL 96 Cb -0.14 -1.75 0.07 0.00 0.00 0.00 0.00 36.38 34.56 3fba s VAL 96 CO 0.01 0.57 -0.05 -0.89 0.00 0.00 0.00 175.10 174.74 3fba s THR 97 N -0.07 1.81 0.10 3.92 2.01 0.24 -0.49 115.64 123.16 3fba s THR 97 Ca -0.07 -1.51 -0.26 0.00 0.31 0.00 0.00 61.69 60.17 3fba s THR 97 Cb -0.15 -2.06 -0.06 0.00 0.01 0.00 0.00 72.50 70.24 3fba s THR 97 CO 0.05 -0.16 0.79 -0.63 -0.69 0.00 0.00 174.62 173.98 3fba s ILE 98 N 1.24 4.57 -0.26 1.82 1.01 0.11 -0.38 121.20 129.31 3fba s ILE 98 Ca -0.04 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.33 3fba s ILE 98 Cb -0.19 -4.15 0.07 0.00 0.01 0.00 0.00 42.46 38.20 3fba s ILE 98 CO -0.07 0.42 -0.04 -0.63 0.00 0.00 0.00 174.94 174.62 3fba s ILE 99 N -0.45 1.77 -0.23 2.92 1.01 0.59 -0.58 121.20 126.23 3fba s ILE 99 Ca 0.38 -1.53 -0.21 0.00 0.00 0.00 0.00 60.65 59.29 3fba s ILE 99 Cb -0.22 -2.06 0.06 0.00 0.01 0.00 0.00 42.46 40.25 3fba s ILE 99 CO 0.25 -0.21 0.62 0.00 0.00 0.00 0.00 174.94 175.60 3fba s ALA 100 N 1.25 -1.53 0.11 9.38 0.00 -0.58 -1.38 121.76 129.02 3fba s ALA 100 Ca -0.03 1.74 -0.14 0.00 0.00 0.00 0.00 51.96 53.54 3fba s ALA 100 Cb -0.19 -1.01 -0.07 0.00 0.00 0.00 0.00 23.12 21.85 3fba s ALA 100 CO -0.08 -0.29 1.45 0.37 0.00 0.00 0.00 175.76 177.21 3fba h GLN 101 N 5.20 0.77 -2.72 0.00 5.75 -1.82 -3.34 115.11 118.95 3fba h GLN 101 Ca -0.28 -0.39 0.01 0.00 -0.15 0.00 0.00 58.65 57.84 3fba h GLN 101 Cb 1.17 0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.59 3fba h GLN 101 CO 0.12 1.01 0.28 0.00 -2.65 0.00 0.00 178.83 177.59 3fba s ALA 102 N -4.43 -1.67 1.06 3.38 0.00 -1.26 -4.85 121.76 113.99 3fba s ALA 102 Ca -0.12 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 3fba s ALA 102 Cb 0.09 0.67 0.22 0.00 0.00 0.00 0.00 23.12 24.10 3fba s ALA 102 CO 0.84 -0.70 1.13 -1.25 0.00 0.00 0.00 175.76 175.78 3fba s PRO 103 N -3.32 -0.06 -0.20 0.00 0.04 -1.26 -5.02 135.00 125.18 3fba s PRO 103 Ca 0.01 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.89 3fba s PRO 103 Cb -0.01 -1.71 -0.00 0.00 0.04 0.00 0.00 34.50 32.81 3fba s PRO 103 CO -0.10 -2.98 1.18 0.21 0.04 0.00 0.00 177.00 175.35 3fba s LYS 104 N -5.30 4.22 0.02 4.56 2.47 -1.26 -4.96 119.74 119.49 3fba s LYS 104 Ca 0.68 1.51 -0.09 0.00 -1.56 0.00 0.00 55.97 56.51 3fba s LYS 104 Cb -0.13 -3.72 -0.31 0.00 -1.46 0.00 0.00 37.83 32.21 3fba s LYS 104 CO 0.56 -0.71 0.95 0.52 0.16 0.00 0.00 175.35 176.82 3fba h MET 105 N 7.98 0.37 0.00 4.03 2.86 -1.97 -3.41 114.93 124.79 3fba h MET 105 Ca -0.23 -0.63 -0.04 0.00 -2.06 0.00 0.00 59.70 56.73 3fba h MET 105 Cb 1.09 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 3fba h MET 105 CO 0.98 1.28 -0.19 1.37 1.06 0.00 0.00 176.91 181.41 3fba h LEU 106 N 0.10 0.00 -2.15 1.22 8.10 -1.97 0.90 115.31 121.51 3fba h LEU 106 Ca -0.24 0.00 0.05 0.00 0.11 0.00 0.00 57.88 57.80 3fba h LEU 106 Cb 2.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.28 3fba h LEU 106 CO 0.21 0.19 0.15 1.55 -4.11 0.00 0.00 178.44 176.42 3fba h PRO 107 N 0.00 0.00 -0.00 0.17 0.13 -2.03 -2.98 132.00 127.29 3fba h PRO 107 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3fba h PRO 107 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 3fba h PRO 107 CO 0.02 0.00 -0.55 0.72 -0.23 0.00 0.00 178.00 177.96 3fba n HIS 108 N -4.15 0.00 -0.22 1.56 8.25 0.30 -4.49 115.22 116.48 3fba n HIS 108 Ca 0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.41 3fba n HIS 108 Cb 0.27 -0.17 0.04 0.00 1.12 0.00 0.00 29.99 31.25 3fba n HIS 108 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3fba h ILE 109 N 0.30 1.18 -0.97 1.59 2.04 -1.41 -2.17 117.51 118.07 3fba h ILE 109 Ca 0.00 -0.38 0.15 0.00 1.00 0.00 0.00 64.86 65.63 3fba h ILE 109 Cb 0.51 0.31 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 3fba h ILE 109 CO 0.00 0.18 0.58 -0.65 0.00 0.00 0.00 178.15 178.26 3fba h PRO 110 N 0.84 0.82 -0.25 2.37 0.11 -1.79 -0.58 132.00 133.51 3fba h PRO 110 Ca 0.22 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.12 3fba h PRO 110 Cb -0.04 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 3fba h PRO 110 CO -0.04 0.54 -0.52 0.37 -0.21 0.00 0.00 178.00 178.14 3fba h GLN 111 N 0.84 0.72 -0.89 1.05 5.75 -1.77 -2.32 115.11 118.49 3fba h GLN 111 Ca 0.52 -0.44 0.03 0.00 -0.15 0.00 0.00 58.65 58.61 3fba h GLN 111 Cb 0.65 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.20 3fba h GLN 111 CO -0.32 1.06 0.58 0.52 -2.65 0.00 0.00 178.83 178.02 3fba h MET 112 N 0.56 1.10 -0.26 1.69 2.86 -0.73 -1.63 114.93 118.52 3fba h MET 112 Ca 0.02 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 3fba h MET 112 Cb 1.09 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3fba h MET 112 CO 0.11 0.73 -0.27 0.00 1.06 0.00 0.00 176.91 178.54 3fba h ARG 113 N 1.13 0.50 -0.24 1.72 3.08 -0.96 -1.39 114.38 118.22 3fba h ARG 113 Ca 0.35 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3fba h ARG 113 Cb -0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3fba h ARG 113 CO -0.12 0.73 0.09 0.28 -1.07 0.00 0.00 179.97 179.88 3fba h VAL 114 N 0.44 1.18 0.23 2.04 2.07 -0.94 -1.16 116.25 120.10 3fba h VAL 114 Ca 0.06 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3fba h VAL 114 Cb 0.70 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 3fba h VAL 114 CO 0.05 0.19 -0.13 -0.26 0.02 0.00 0.00 177.57 177.43 3fba h PHE 115 N 0.24 -0.35 -0.56 1.57 0.04 -1.19 -1.10 116.94 115.58 3fba h PHE 115 Ca 0.08 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 3fba h PHE 115 Cb 0.21 0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 3fba h PHE 115 CO -0.00 -0.21 0.25 0.82 -0.60 0.00 0.00 178.31 178.56 3fba h ILE 116 N -0.34 1.22 -0.57 -0.55 2.04 -1.25 0.16 117.51 118.22 3fba h ILE 116 Ca -0.02 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 3fba h ILE 116 Cb 0.28 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3fba h ILE 116 CO 0.03 0.25 0.15 0.00 0.00 0.00 0.00 178.15 178.58 3fba h ALA 117 N 1.09 1.20 0.55 1.87 0.00 -1.18 -0.77 119.26 122.02 3fba h ALA 117 Ca 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fba h ALA 117 Cb 0.16 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fba h ALA 117 CO -0.02 0.55 -0.27 0.93 0.00 0.00 0.00 179.25 180.45 3fba h GLU 118 N 0.84 -0.71 -0.86 0.00 5.08 -0.72 -0.16 114.58 118.04 3fba h GLU 118 Ca 0.19 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.77 3fba h GLU 118 Cb 0.28 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 3fba h GLU 118 CO -0.00 -0.41 0.57 -0.44 -1.00 0.00 0.00 179.01 177.72 3fba h ASP 119 N -0.96 0.47 -0.15 1.42 3.32 -0.43 0.01 116.42 120.11 3fba h ASP 119 Ca -0.08 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3fba h ASP 119 Cb 0.64 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3fba h ASP 119 CO 0.12 0.21 0.00 0.18 -1.72 0.00 0.00 179.24 178.04 3fba n LEU 120 N -4.52 3.12 -3.80 1.55 4.77 -0.32 -4.67 117.00 113.13 3fba n LEU 120 Ca 0.18 -1.17 -0.29 0.00 -0.03 0.00 0.00 56.01 54.70 3fba n LEU 120 Cb 0.60 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 3fba n LEU 120 CO 0.31 0.58 -0.14 0.61 -1.33 0.00 0.00 177.39 177.41 3fba n GLY 121 N 1.37 -0.63 3.46 -0.72 0.00 -0.01 -4.99 105.19 103.67 3fba n GLY 121 Ca 0.15 0.31 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 3fba n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fba s HIS 123 N -3.30 3.44 0.55 0.00 3.76 -1.26 -4.64 115.29 113.84 3fba s HIS 123 Ca 0.28 1.67 0.30 0.00 -0.15 0.00 0.00 55.06 57.17 3fba s HIS 123 Cb 0.04 -3.23 1.47 0.00 1.11 0.00 0.00 32.58 31.96 3fba s HIS 123 CO 0.16 -0.62 1.90 0.52 -0.85 0.00 0.00 174.74 175.85 3fba h MET 124 N 3.28 0.00 0.00 1.40 0.00 -1.92 -0.91 114.93 116.78 3fba h MET 124 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.23 3fba h MET 124 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.81 3fba h MET 124 CO 0.65 0.00 0.00 -3.47 0.00 0.00 0.00 176.91 174.09 3fba n ASP 125 N -4.16 0.05 -0.76 1.22 2.03 -1.26 -1.27 116.55 112.40 3fba n ASP 125 Ca 0.15 0.52 0.08 0.00 0.52 0.00 0.00 54.79 56.06 3fba n ASP 125 Cb 0.86 -0.52 0.13 0.00 -0.72 0.00 0.00 41.12 40.87 3fba n ASP 125 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3fba n ASP 126 N -1.56 2.75 -4.16 1.67 8.00 -0.35 -4.89 116.55 118.00 3fba n ASP 126 Ca 0.02 -1.80 -0.33 0.00 0.71 0.00 0.00 54.79 53.38 3fba n ASP 126 Cb 0.09 -0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 40.90 3fba n ASP 126 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fba s VAL 127 N -1.20 2.32 -0.05 2.53 1.01 -0.40 -1.11 120.40 123.49 3fba s VAL 127 Ca 0.25 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3fba s VAL 127 Cb 0.15 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 3fba s VAL 127 CO 0.21 0.52 -0.24 0.21 0.00 0.00 0.00 175.10 175.80 3fba s ASN 128 N 1.29 2.89 -0.02 3.32 2.47 -0.63 -4.98 114.94 119.28 3fba s ASN 128 Ca 0.04 -0.48 0.02 0.00 0.42 0.00 0.00 52.86 52.86 3fba s ASN 128 Cb -0.13 -0.79 0.00 0.00 -1.45 0.00 0.00 41.25 38.88 3fba s ASN 128 CO -0.10 0.23 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.75 3fba s VAL 129 N -0.13 0.60 0.13 -5.21 1.01 -1.26 -0.27 120.40 115.26 3fba s VAL 129 Ca -0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 3fba s VAL 129 Cb -0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 3fba s VAL 129 CO 0.03 0.19 0.17 -1.59 0.00 0.00 0.00 175.10 173.91 3fba s LYS 130 N 0.19 0.97 0.08 2.72 -2.85 0.35 -4.94 119.74 116.26 3fba s LYS 130 Ca -0.02 -1.20 0.03 0.00 -1.00 0.00 0.00 55.97 53.77 3fba s LYS 130 Cb -0.07 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 3fba s LYS 130 CO 0.00 -0.31 -0.09 0.00 0.10 0.00 0.00 175.35 175.05 3fba s ALA 131 N -3.96 0.90 0.03 0.59 0.00 -1.26 0.06 121.76 118.11 3fba s ALA 131 Ca 0.15 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 50.89 3fba s ALA 131 Cb 0.05 0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.25 3fba s ALA 131 CO -0.03 -0.06 0.35 -0.08 0.00 0.00 0.00 175.76 175.93 3fba s THR 132 N -2.26 0.07 0.40 0.00 -1.32 0.25 -4.90 115.64 107.88 3fba s THR 132 Ca 0.01 -0.57 0.08 0.00 -1.21 0.00 0.00 61.69 60.00 3fba s THR 132 Cb -0.04 -0.89 -0.01 0.00 -1.51 0.00 0.00 72.50 70.05 3fba s THR 132 CO -0.01 -0.31 0.44 0.42 -2.21 0.00 0.00 174.62 172.95 3fba s THR 133 N -2.32 3.07 -0.36 5.08 -4.23 -1.25 -1.53 115.64 114.10 3fba s THR 133 Ca -0.06 -1.18 0.07 0.00 -1.18 0.00 0.00 61.69 59.33 3fba s THR 133 Cb -0.01 -3.07 0.55 0.00 1.34 0.00 0.00 72.50 71.30 3fba s THR 133 CO -0.02 -0.04 1.61 0.35 -0.54 0.00 0.00 174.62 175.98 3fba n THR 134 N -1.64 2.79 -3.75 3.99 -2.24 -1.26 -4.93 114.28 107.24 3fba n THR 134 Ca 0.04 -2.61 -0.23 0.00 -2.27 0.00 0.00 64.05 58.99 3fba n THR 134 Cb 0.60 -0.43 0.03 0.00 -2.10 0.00 0.00 70.33 68.42 3fba n THR 134 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fba n GLU 135 N -1.11 -4.84 -1.04 -0.78 -0.58 -1.26 -1.24 120.64 109.80 3fba n GLU 135 Ca 0.43 0.60 -0.01 0.00 -0.42 0.00 0.00 57.16 57.75 3fba n GLU 135 Cb 1.20 -5.16 -0.01 0.00 -0.57 0.00 0.00 31.44 26.90 3fba n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3fba n LYS 136 N -4.34 -1.57 -3.70 3.49 5.02 -1.26 -4.97 118.16 110.83 3fba n LYS 136 Ca -0.26 0.46 -0.36 0.00 -2.02 0.00 0.00 58.31 56.13 3fba n LYS 136 Cb 0.66 -4.66 -0.06 0.00 -0.02 0.00 0.00 35.03 30.95 3fba n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fba s LEU 137 N -0.32 4.41 0.00 -0.35 1.43 -0.37 -4.08 118.68 119.40 3fba s LEU 137 Ca 0.00 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 3fba s LEU 137 Cb 0.00 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.71 3fba s LEU 137 CO 0.00 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.50 3fba n GLY 138 N 1.55 -1.37 0.33 -3.19 0.00 -1.26 -1.92 105.19 99.34 3fba n GLY 138 Ca -0.14 -1.57 0.08 0.00 0.00 0.00 0.00 46.02 44.39 3fba n GLY 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3fba h PHE 139 N 0.00 0.49 -0.17 1.61 -0.00 -1.96 0.21 116.94 117.13 3fba h PHE 139 Ca 0.00 0.01 -0.20 0.00 -0.00 0.00 0.00 57.97 57.78 3fba h PHE 139 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 35.95 35.79 3fba h PHE 139 CO 0.00 0.27 -0.69 0.00 -0.00 0.00 0.00 178.31 177.89 3fba h THR 140 N 0.50 1.30 0.00 0.88 1.03 -1.77 0.13 112.91 114.97 3fba h THR 140 Ca 0.23 -1.94 -0.07 0.00 -0.01 0.00 0.00 66.41 64.62 3fba h THR 140 Cb 0.27 1.91 -0.01 0.00 -1.07 0.00 0.00 68.15 69.25 3fba h THR 140 CO -0.06 0.61 -0.34 1.23 -0.01 0.00 0.00 175.52 176.95 3fba h GLY 141 N 0.82 0.00 -0.85 2.99 0.00 -0.42 -2.90 103.07 102.72 3fba h GLY 141 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3fba h GLY 141 CO 0.14 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.22 3fba n ARG 142 N -3.22 1.52 -2.01 4.80 1.74 0.60 -4.29 116.66 115.80 3fba n ARG 142 Ca 0.02 -0.68 -0.19 0.00 -0.77 0.00 0.00 57.85 56.24 3fba n ARG 142 Cb 0.64 -1.24 -0.04 0.00 -1.02 0.00 0.00 32.46 30.80 3fba n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fba n GLY 143 N 0.67 0.55 0.06 -0.13 0.00 -1.09 -4.90 105.19 100.35 3fba n GLY 143 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 3fba n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fba h GLU 144 N 0.00 0.00 0.00 1.61 5.08 -1.17 -3.45 114.58 116.64 3fba h GLU 144 Ca -0.42 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.04 3fba h GLU 144 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 3fba h GLU 144 CO 0.54 0.99 0.32 0.41 -1.00 0.00 0.00 179.01 180.27 3fba n GLY 145 N 1.35 0.87 3.15 -3.84 0.00 -1.21 -1.09 105.19 104.43 3fba n GLY 145 Ca -0.00 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.73 3fba n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fba s ILE 146 N -2.28 1.51 0.28 -0.61 1.01 -0.44 -4.42 121.20 116.24 3fba s ILE 146 Ca 0.12 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 60.11 3fba s ILE 146 Cb -0.01 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3fba s ILE 146 CO 0.02 0.43 -0.03 0.00 0.00 0.00 0.00 174.94 175.36 3fba s ALA 147 N -0.01 3.11 -0.02 9.38 0.00 -0.48 -1.71 121.76 132.03 3fba s ALA 147 Ca -0.03 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.14 3fba s ALA 147 Cb -0.12 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.35 3fba s ALA 147 CO 0.02 0.25 0.16 0.00 0.00 0.00 0.00 175.76 176.19 3fba s GLU 149 N -0.91 1.72 -0.00 0.00 2.02 0.49 -1.78 118.70 120.23 3fba s GLU 149 Ca -0.10 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 53.96 3fba s GLU 149 Cb -0.05 -1.78 -0.00 0.00 0.10 0.00 0.00 34.13 32.39 3fba s GLU 149 CO 0.01 0.47 -0.06 0.00 0.02 0.00 0.00 175.26 175.70 3fba s ALA 150 N -0.69 0.50 0.09 5.21 0.00 -0.47 0.80 121.76 127.20 3fba s ALA 150 Ca 0.09 -0.26 0.10 0.00 0.00 0.00 0.00 51.96 51.89 3fba s ALA 150 Cb -0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3fba s ALA 150 CO 0.01 0.12 -0.26 0.14 0.00 0.00 0.00 175.76 175.77 3fba s VAL 151 N -0.14 2.10 0.05 0.00 -7.23 0.21 -0.91 120.40 114.49 3fba s VAL 151 Ca 0.02 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 58.68 3fba s VAL 151 Cb -0.02 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 3fba s VAL 151 CO -0.00 0.20 -0.08 0.00 -0.31 0.00 0.00 175.10 174.90 3fba s ALA 152 N -0.94 0.70 -0.06 1.32 0.00 -0.04 -0.96 121.76 121.78 3fba s ALA 152 Ca 0.12 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.22 3fba s ALA 152 Cb -0.10 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3fba s ALA 152 CO 0.04 -0.03 -0.11 -1.17 0.00 0.00 0.00 175.76 174.49 3fba s LEU 153 N -1.80 1.63 0.09 0.00 2.96 -0.26 -0.75 118.68 120.55 3fba s LEU 153 Ca -0.06 -0.27 0.10 0.00 -0.22 0.00 0.00 54.13 53.68 3fba s LEU 153 Cb -0.08 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 3fba s LEU 153 CO -0.00 0.03 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.06 3fba s LEU 154 N 0.62 2.36 0.01 -0.68 1.43 0.78 -0.63 118.68 122.56 3fba s LEU 154 Ca -0.13 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.37 3fba s LEU 154 Cb -0.15 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 3fba s LEU 154 CO 0.03 0.22 -0.00 -0.63 0.23 0.00 0.00 176.35 176.20 3fba s ILE 155 N -0.96 4.12 0.00 -0.59 1.01 0.10 -0.49 121.20 124.39 3fba s ILE 155 Ca 0.14 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3fba s ILE 155 Cb -0.10 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.52 3fba s ILE 155 CO 0.05 0.36 0.17 1.17 0.00 0.00 0.00 174.94 176.69