#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfx s LYS 2 N 0.00 2.48 0.17 0.54 1.02 -1.26 -0.03 119.74 122.66 1dfx s LYS 2 Ca 0.00 -0.81 -0.33 0.00 0.02 0.00 0.00 55.97 54.86 1dfx s LYS 2 Cb 0.00 -2.48 -0.16 0.00 -0.52 0.00 0.00 37.83 34.67 1dfx s LYS 2 CO 0.00 0.57 1.14 1.58 -0.92 0.00 0.00 175.35 177.72 1dfx n HIS 3 N 1.12 1.25 -0.86 3.18 -0.00 -1.26 -1.43 115.22 117.22 1dfx n HIS 3 Ca -0.14 0.69 0.00 0.00 -0.00 0.00 0.00 57.72 58.28 1dfx n HIS 3 Cb 0.52 -2.27 0.00 0.00 -0.00 0.00 0.00 29.99 28.25 1dfx n HIS 3 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1dfx n LEU 4 N 1.98 0.37 -4.82 0.27 4.77 0.57 -4.96 117.00 115.19 1dfx n LEU 4 Ca 0.15 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 1dfx n LEU 4 Cb 0.24 -0.75 -0.04 0.00 -2.33 0.00 0.00 43.42 40.55 1dfx n LEU 4 CO 0.61 -0.24 0.69 -1.61 -1.33 0.00 0.00 177.39 175.51 1dfx s GLU 5 N -0.47 3.89 -0.13 3.23 2.02 -0.51 -4.70 118.70 122.02 1dfx s GLU 5 Ca 0.00 1.15 -0.01 0.00 0.02 0.00 0.00 54.97 56.13 1dfx s GLU 5 Cb 0.00 -2.12 -0.02 0.00 0.10 0.00 0.00 34.13 32.09 1dfx s GLU 5 CO 0.00 -0.33 -0.09 0.08 0.02 0.00 0.00 175.26 174.93 1dfx s VAL 6 N -2.31 3.40 -0.02 2.63 1.01 -1.26 -0.79 120.40 123.06 1dfx s VAL 6 Ca 0.63 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.14 1dfx s VAL 6 Cb -0.12 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1dfx s VAL 6 CO 0.24 0.53 -0.25 -0.31 0.00 0.00 0.00 175.10 175.31 1dfx s TYR 7 N 0.17 2.21 0.02 5.22 1.51 -0.06 0.05 117.35 126.45 1dfx s TYR 7 Ca -0.05 -0.42 0.06 0.00 -1.01 0.00 0.00 57.07 55.65 1dfx s TYR 7 Cb -0.14 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.27 1dfx s TYR 7 CO 0.04 -0.04 -0.18 0.21 -1.11 0.00 0.00 175.55 174.47 1dfx s LYS 8 N -0.59 1.35 -0.26 -0.62 2.20 0.16 -1.03 119.74 120.95 1dfx s LYS 8 Ca 0.10 -0.78 -0.21 0.00 -0.36 0.00 0.00 55.97 54.72 1dfx s LYS 8 Cb -0.09 -1.37 -0.01 0.00 -1.51 0.00 0.00 37.83 34.84 1dfx s LYS 8 CO -0.01 0.36 0.67 0.00 -0.36 0.00 0.00 175.35 176.01 1dfx h THR 10 N 5.44 0.68 0.09 0.00 1.35 -1.92 -1.29 112.91 117.27 1dfx h THR 10 Ca -0.26 -0.88 -0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1dfx h THR 10 Cb 1.12 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1dfx h THR 10 CO 0.80 0.20 -0.04 0.45 -0.25 0.00 0.00 175.52 176.68 1dfx h HIS 11 N 0.00 -0.11 -0.00 4.73 3.86 -1.92 -3.39 115.15 118.31 1dfx h HIS 11 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1dfx h HIS 11 Cb 0.54 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1dfx h HIS 11 CO 0.00 0.43 -0.46 0.00 0.86 0.00 0.00 177.93 178.76 1dfx n GLY 13 N 1.19 0.77 3.78 0.00 0.00 -0.49 -5.04 105.19 105.41 1dfx n GLY 13 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1dfx n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dfx s ASN 14 N -2.97 6.24 -0.04 1.61 0.02 -1.26 -4.72 114.94 113.82 1dfx s ASN 14 Ca 0.00 3.00 0.00 0.00 -1.02 0.00 0.00 52.86 54.84 1dfx s ASN 14 Cb 0.00 -2.66 0.02 0.00 0.02 0.00 0.00 41.25 38.63 1dfx s ASN 14 CO 0.00 -0.94 -0.02 -0.63 0.02 0.00 0.00 177.10 175.53 1dfx s ILE 15 N -1.14 0.37 0.13 0.60 1.01 -1.26 -0.22 121.20 120.69 1dfx s ILE 15 Ca 0.55 -0.00 0.05 0.00 0.00 0.00 0.00 60.65 61.24 1dfx s ILE 15 Cb -0.45 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1dfx s ILE 15 CO 0.61 0.20 -0.11 0.68 0.00 0.00 0.00 174.94 176.32 1dfx s VAL 16 N 1.14 1.15 -0.07 2.92 -7.23 -0.20 -4.98 120.40 113.13 1dfx s VAL 16 Ca -0.08 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1dfx s VAL 16 Cb -0.14 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 1dfx s VAL 16 CO -0.01 -0.64 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.30 1dfx s GLU 17 N -3.33 2.77 -0.08 4.82 2.12 -1.26 -0.89 118.70 122.85 1dfx s GLU 17 Ca 0.13 -0.68 -0.30 0.00 0.36 0.00 0.00 54.97 54.48 1dfx s GLU 17 Cb -0.00 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.91 1dfx s GLU 17 CO 0.01 0.51 1.04 0.08 -0.54 0.00 0.00 175.26 176.36 1dfx s VAL 18 N -0.43 4.69 -0.24 3.70 1.01 0.03 -4.91 120.40 124.24 1dfx s VAL 18 Ca 0.05 1.95 0.04 0.00 0.00 0.00 0.00 61.98 64.03 1dfx s VAL 18 Cb -0.12 -4.26 -0.19 0.00 0.00 0.00 0.00 36.38 31.81 1dfx s VAL 18 CO 0.02 0.03 -0.14 0.18 0.00 0.00 0.00 175.10 175.19 1dfx n LEU 19 N 4.85 2.41 -3.77 3.92 4.77 -1.26 -0.31 117.00 127.62 1dfx n LEU 19 Ca 0.09 -0.09 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1dfx n LEU 19 Cb 0.49 -0.66 -0.17 0.00 -2.33 0.00 0.00 43.42 40.74 1dfx n LEU 19 CO 0.53 0.85 -0.38 -2.28 -1.33 0.00 0.00 177.39 174.78 1dfx s HIS 20 N -2.52 0.81 0.00 -1.77 2.46 -1.26 -4.78 115.29 108.23 1dfx s HIS 20 Ca -0.30 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 54.84 1dfx s HIS 20 Cb 0.08 -0.89 0.00 0.00 -0.13 0.00 0.00 32.58 31.64 1dfx s HIS 20 CO 0.65 -0.42 0.00 0.41 -2.47 0.00 0.00 174.74 172.91 1dfx n GLY 21 N 5.11 3.01 1.45 1.59 0.00 -1.26 -4.85 105.19 110.24 1dfx n GLY 21 Ca -0.08 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1dfx n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dfx n GLY 22 N 5.00 0.99 0.00 -0.02 0.00 0.95 -4.98 105.19 107.14 1dfx n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dfx n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dfx n GLY 23 N -2.00 1.01 3.91 -0.02 0.00 -1.26 -4.87 105.19 101.96 1dfx n GLY 23 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1dfx n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfx s ALA 24 N -3.28 2.08 0.25 4.61 0.00 -1.26 -4.14 121.76 120.01 1dfx s ALA 24 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 1dfx s ALA 24 Cb 0.00 -2.76 -0.10 0.00 0.00 0.00 0.00 23.12 20.27 1dfx s ALA 24 CO 0.00 -2.61 1.36 -1.21 0.00 0.00 0.00 175.76 173.29 1dfx s GLU 25 N -5.90 4.34 0.28 0.00 2.02 -1.26 -4.36 118.70 113.81 1dfx s GLU 25 Ca 0.75 2.18 -0.29 0.00 0.02 0.00 0.00 54.97 57.64 1dfx s GLU 25 Cb -0.03 -3.13 -0.09 0.00 0.10 0.00 0.00 34.13 30.97 1dfx s GLU 25 CO 0.54 -0.30 1.06 -0.51 0.02 0.00 0.00 175.26 176.07 1dfx s LEU 26 N -0.60 4.55 0.08 1.80 1.43 -1.26 -4.96 118.68 119.72 1dfx s LEU 26 Ca 0.56 2.18 0.07 0.00 -1.03 0.00 0.00 54.13 55.91 1dfx s LEU 26 Cb -0.39 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.14 1dfx s LEU 26 CO 0.43 -0.09 -0.19 -0.69 0.23 0.00 0.00 176.35 176.05 1dfx s VAL 27 N -1.19 1.52 -0.23 -1.59 1.01 -1.26 -0.77 120.40 117.89 1dfx s VAL 27 Ca 0.44 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 1dfx s VAL 27 Cb -0.30 -1.38 0.06 0.00 0.00 0.00 0.00 36.38 34.76 1dfx s VAL 27 CO 0.38 -0.02 0.59 0.00 0.00 0.00 0.00 175.10 176.05 1dfx n GLY 30 N -1.71 0.34 3.28 0.00 0.00 -1.26 -5.00 105.19 100.83 1dfx n GLY 30 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1dfx n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dfx s GLU 31 N -0.80 1.13 0.43 1.61 2.02 -0.69 -5.10 118.70 117.29 1dfx s GLU 31 Ca 0.00 -1.13 -0.25 0.00 0.02 0.00 0.00 54.97 53.61 1dfx s GLU 31 Cb 0.00 -1.37 -0.09 0.00 0.10 0.00 0.00 34.13 32.77 1dfx s GLU 31 CO 0.00 0.32 1.25 -2.30 0.02 0.00 0.00 175.26 174.55 1dfx n PRO 32 N 1.17 1.85 -1.42 0.39 -0.02 -1.26 -1.45 135.00 134.25 1dfx n PRO 32 Ca -0.19 0.66 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 1dfx n PRO 32 Cb 0.54 -2.36 0.09 0.00 -0.02 0.00 0.00 33.50 31.74 1dfx n PRO 32 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1dfx s MET 33 N -2.23 2.25 -0.07 -0.52 -1.94 0.05 -4.80 119.30 112.05 1dfx s MET 33 Ca 0.62 0.90 -0.18 0.00 -1.71 0.00 0.00 55.69 55.33 1dfx s MET 33 Cb -0.51 -1.92 -0.05 0.00 2.01 0.00 0.00 34.83 34.37 1dfx s MET 33 CO 0.57 -1.57 0.48 0.21 -0.01 0.00 0.00 175.02 174.70 1dfx s LYS 34 N -5.02 4.24 -0.24 2.03 2.20 0.12 -4.81 119.74 118.26 1dfx s LYS 34 Ca 0.60 0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 56.41 1dfx s LYS 34 Cb -0.16 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1dfx s LYS 34 CO 0.55 0.33 1.30 -1.58 -0.36 0.00 0.00 175.35 175.60 1dfx s HIS 35 N 0.05 2.72 -0.99 4.03 5.65 -1.26 0.41 115.29 125.90 1dfx s HIS 35 Ca 0.26 0.91 -0.20 0.00 0.25 0.00 0.00 55.06 56.27 1dfx s HIS 35 Cb -0.16 -3.74 0.09 0.00 -1.18 0.00 0.00 32.58 27.59 1dfx s HIS 35 CO 0.12 -1.78 1.30 -1.64 -0.65 0.00 0.00 174.74 172.09 1dfx s MET 36 N 3.92 3.62 0.12 2.88 1.00 0.11 -4.94 119.30 126.01 1dfx s MET 36 Ca 0.56 -1.52 -0.30 0.00 0.00 0.00 0.00 55.69 54.43 1dfx s MET 36 Cb -0.19 -5.13 -0.07 0.00 0.00 0.00 0.00 34.83 29.43 1dfx s MET 36 CO 0.20 -1.98 1.23 0.08 0.00 0.00 0.00 175.02 174.55 1dfx s VAL 37 N 3.70 3.71 0.32 -6.03 1.01 -1.26 -4.62 120.40 117.22 1dfx s VAL 37 Ca 0.39 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1dfx s VAL 37 Cb -0.02 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 1dfx s VAL 37 CO -0.09 0.15 1.53 -0.62 0.00 0.00 0.00 175.10 176.07 1dfx n GLU 38 N 3.34 2.63 -0.89 2.72 4.71 -1.26 -1.25 120.64 130.65 1dfx n GLU 38 Ca 0.07 0.93 0.00 0.00 -0.01 0.00 0.00 57.16 58.16 1dfx n GLU 38 Cb 0.45 -2.68 0.00 0.00 -1.01 0.00 0.00 31.44 28.20 1dfx n GLU 38 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1dfx n GLY 39 N 1.46 0.07 0.17 0.62 0.00 0.23 -4.82 105.19 102.92 1dfx n GLY 39 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 1dfx n GLY 39 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1dfx h SER 40 N 0.00 0.12 -2.90 1.61 0.87 -1.34 -3.33 113.55 108.58 1dfx h SER 40 Ca 0.00 -0.06 -0.74 0.00 -1.23 0.00 0.00 61.79 59.76 1dfx h SER 40 Cb 0.66 -0.03 -0.33 0.00 -0.44 0.00 0.00 62.40 62.27 1dfx h SER 40 CO 0.00 0.59 0.28 0.41 -0.53 0.00 0.00 176.83 177.58 1dfx n THR 41 N -3.96 4.17 -0.73 2.23 -1.04 -1.26 -5.00 114.28 108.68 1dfx n THR 41 Ca -0.02 -5.57 -0.19 0.00 -2.04 0.00 0.00 64.05 56.24 1dfx n THR 41 Cb 0.52 -2.20 -0.08 0.00 -1.82 0.00 0.00 70.33 66.75 1dfx n THR 41 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1dfx n ASP 42 N 1.55 0.04 0.00 8.00 9.92 -1.25 -4.82 116.55 129.98 1dfx n ASP 42 Ca 0.26 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1dfx n ASP 42 Cb 0.36 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 1dfx n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dfx n GLY 43 N 3.10 0.67 2.81 0.44 0.00 -1.26 -5.06 105.19 105.89 1dfx n GLY 43 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 1dfx n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfx s ALA 44 N -3.14 2.26 0.26 4.61 0.00 -1.26 -5.00 121.76 119.50 1dfx s ALA 44 Ca 0.00 -2.38 -0.09 0.00 0.00 0.00 0.00 51.96 49.49 1dfx s ALA 44 Cb 0.00 -1.86 0.42 0.00 0.00 0.00 0.00 23.12 21.68 1dfx s ALA 44 CO 0.00 -1.86 1.58 0.52 0.00 0.00 0.00 175.76 176.00 1dfx h MET 45 N 7.30 0.00 -0.49 0.00 2.86 -1.97 0.87 114.93 123.51 1dfx h MET 45 Ca -0.06 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.68 1dfx h MET 45 Cb 0.97 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 1dfx h MET 45 CO 0.51 0.00 0.34 0.93 1.06 0.00 0.00 176.91 179.75 1dfx h GLU 46 N 0.00 0.22 -0.00 1.72 3.07 -1.94 -1.97 114.58 115.68 1dfx h GLU 46 Ca 0.44 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1dfx h GLU 46 Cb 0.69 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1dfx h GLU 46 CO -0.91 0.15 -0.46 1.63 -1.40 0.00 0.00 179.01 178.01 1dfx n LYS 47 N -4.45 3.31 -0.03 2.33 5.02 0.22 -1.07 118.16 123.49 1dfx n LYS 47 Ca 0.08 -0.09 -0.04 0.00 -2.02 0.00 0.00 58.31 56.24 1dfx n LYS 47 Cb 0.40 -1.01 -0.04 0.00 -0.02 0.00 0.00 35.03 34.36 1dfx n LYS 47 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1dfx n HIS 48 N -1.10 0.00 -1.92 2.13 8.25 0.24 -3.37 115.22 119.44 1dfx n HIS 48 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1dfx n HIS 48 Cb 0.17 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 1dfx n HIS 48 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1dfx s VAL 49 N -2.14 3.40 0.49 1.59 1.01 -0.76 -4.80 120.40 119.19 1dfx s VAL 49 Ca -0.05 0.52 -0.24 0.00 0.00 0.00 0.00 61.98 62.21 1dfx s VAL 49 Cb 0.02 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 1dfx s VAL 49 CO 0.21 -0.04 1.38 -2.84 0.00 0.00 0.00 175.10 173.80 1dfx s PRO 50 N 4.00 3.49 -0.21 2.72 0.02 -1.26 -4.26 135.00 139.50 1dfx s PRO 50 Ca 0.77 2.30 -0.06 0.00 0.02 0.00 0.00 61.00 64.03 1dfx s PRO 50 Cb -0.36 -2.49 -0.03 0.00 0.02 0.00 0.00 34.50 31.64 1dfx s PRO 50 CO 0.33 -0.93 0.02 0.08 -0.33 0.00 0.00 177.00 176.16 1dfx s VAL 51 N -1.26 4.11 -0.27 3.83 1.01 0.38 -4.70 120.40 123.50 1dfx s VAL 51 Ca 0.65 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 1dfx s VAL 51 Cb -0.41 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1dfx s VAL 51 CO 0.51 0.42 0.10 -0.63 0.00 0.00 0.00 175.10 175.50 1dfx s ILE 52 N 1.04 4.49 -0.16 2.22 1.01 -1.26 -1.09 121.20 127.45 1dfx s ILE 52 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.49 1dfx s ILE 52 Cb -0.14 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1dfx s ILE 52 CO 0.02 0.27 -0.12 -1.61 0.00 0.00 0.00 174.94 173.51 1dfx s GLU 53 N 1.63 3.34 -0.09 2.79 2.02 -0.13 -5.00 118.70 123.26 1dfx s GLU 53 Ca 0.06 -0.69 -0.26 0.00 0.02 0.00 0.00 54.97 54.10 1dfx s GLU 53 Cb -0.16 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 1dfx s GLU 53 CO 0.05 0.07 0.83 0.21 0.02 0.00 0.00 175.26 176.44 1dfx s LYS 54 N 0.72 4.41 0.36 1.61 2.20 -1.26 -0.60 119.74 127.18 1dfx s LYS 54 Ca -0.05 1.09 0.04 0.00 -0.36 0.00 0.00 55.97 56.69 1dfx s LYS 54 Cb -0.15 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1dfx s LYS 54 CO 0.02 -0.13 0.15 1.33 -0.36 0.00 0.00 175.35 176.35 1dfx n VAL 55 N 4.21 0.00 -1.67 4.02 0.24 -0.95 -4.93 118.33 119.24 1dfx n VAL 55 Ca 0.03 -2.16 -0.46 0.00 -2.04 0.00 0.00 64.34 59.71 1dfx n VAL 55 Cb 0.50 0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 33.64 1dfx n VAL 55 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1dfx n ASP 56 N -1.60 3.71 0.00 -1.34 9.92 -1.26 -2.31 116.55 123.66 1dfx n ASP 56 Ca -0.04 0.95 0.00 0.00 -0.53 0.00 0.00 54.79 55.18 1dfx n ASP 56 Cb 0.55 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.60 1dfx n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dfx n GLY 57 N 4.41 0.70 0.00 0.44 0.00 -1.26 -4.88 105.19 104.60 1dfx n GLY 57 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1dfx n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dfx n GLY 58 N -2.53 -0.69 2.96 -0.02 0.00 -0.98 -2.45 105.19 101.48 1dfx n GLY 58 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1dfx n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dfx s TYR 59 N -3.43 0.05 -0.22 1.61 1.51 -0.14 -2.23 117.35 114.50 1dfx s TYR 59 Ca 0.00 -0.10 -0.07 0.00 -1.01 0.00 0.00 57.07 55.89 1dfx s TYR 59 Cb 0.00 -0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 41.77 1dfx s TYR 59 CO 0.00 -0.10 0.06 -1.17 -1.11 0.00 0.00 175.55 173.23 1dfx s LEU 60 N -0.57 3.55 -0.19 -1.29 2.96 0.23 -1.02 118.68 122.34 1dfx s LEU 60 Ca -0.06 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1dfx s LEU 60 Cb -0.04 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1dfx s LEU 60 CO -0.00 0.05 0.00 -0.63 -1.32 0.00 0.00 176.35 174.45 1dfx s ILE 61 N 1.11 4.05 -0.02 6.68 -1.09 0.11 -0.95 121.20 131.08 1dfx s ILE 61 Ca 0.04 -0.29 0.08 0.00 -2.23 0.00 0.00 60.65 58.25 1dfx s ILE 61 Cb -0.14 -2.82 -0.02 0.00 -1.58 0.00 0.00 42.46 37.90 1dfx s ILE 61 CO 0.03 0.44 -0.25 -0.54 -1.23 0.00 0.00 174.94 173.39 1dfx s LYS 62 N 0.81 2.09 -0.22 2.79 1.02 -0.25 -0.99 119.74 125.00 1dfx s LYS 62 Ca 0.01 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.10 1dfx s LYS 62 Cb -0.14 -2.00 0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1dfx s LYS 62 CO 0.02 0.53 -0.13 0.08 -0.92 0.00 0.00 175.35 174.93 1dfx s VAL 63 N -0.56 2.39 0.00 3.17 1.01 0.50 -0.47 120.40 126.44 1dfx s VAL 63 Ca 0.09 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1dfx s VAL 63 Cb -0.10 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1dfx s VAL 63 CO -0.01 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1dfx n GLY 64 N 4.61 5.17 0.31 4.51 0.00 -1.22 -1.14 105.19 117.43 1dfx n GLY 64 Ca -0.18 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.28 1dfx n GLY 64 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dfx h SER 65 N 0.00 0.24 -3.31 1.61 4.64 -1.28 -3.35 113.55 112.10 1dfx h SER 65 Ca 0.00 -0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1dfx h SER 65 Cb 0.00 -0.06 -0.25 0.00 -0.31 0.00 0.00 62.40 61.79 1dfx h SER 65 CO 0.00 0.17 -0.72 -0.69 -0.87 0.00 0.00 176.83 174.71 1dfx s VAL 66 N -5.28 3.40 0.23 0.95 1.01 -0.30 -5.06 120.40 115.34 1dfx s VAL 66 Ca -0.07 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 1dfx s VAL 66 Cb 0.18 -2.46 -0.15 0.00 0.00 0.00 0.00 36.38 33.96 1dfx s VAL 66 CO 0.72 0.51 1.18 -2.65 0.00 0.00 0.00 175.10 174.86 1dfx n PRO 67 N 3.53 1.45 -3.35 2.72 -0.02 -1.26 -4.45 135.00 133.63 1dfx n PRO 67 Ca -0.18 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.48 1dfx n PRO 67 Cb 0.53 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1dfx n PRO 67 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1dfx s HIS 68 N -0.44 3.52 0.60 6.00 2.46 -0.29 -4.69 115.29 122.44 1dfx s HIS 68 Ca 0.67 1.02 -0.18 0.00 0.47 0.00 0.00 55.06 57.04 1dfx s HIS 68 Cb -0.75 -2.35 -0.06 0.00 -0.13 0.00 0.00 32.58 29.29 1dfx s HIS 68 CO 0.54 0.34 0.82 -2.30 -2.47 0.00 0.00 174.74 171.67 1dfx n PRO 69 N 0.36 0.74 -2.82 2.88 -0.02 -1.26 -4.70 135.00 130.17 1dfx n PRO 69 Ca -0.02 0.29 -0.18 0.00 -2.02 0.00 0.00 63.50 61.57 1dfx n PRO 69 Cb 0.52 -2.02 -0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1dfx n PRO 69 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1dfx n MET 70 N -0.76 1.89 -3.53 -0.52 2.81 -1.24 -4.09 117.12 111.68 1dfx n MET 70 Ca 0.13 -3.81 -0.21 0.00 -1.81 0.00 0.00 57.70 52.01 1dfx n MET 70 Cb 0.48 -1.74 -0.01 0.00 -0.71 0.00 0.00 33.22 31.24 1dfx n MET 70 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1dfx s GLU 71 N -3.06 3.27 0.41 0.03 0.41 -0.23 -0.98 118.70 118.55 1dfx s GLU 71 Ca 0.39 -0.73 0.21 0.00 -0.41 0.00 0.00 54.97 54.42 1dfx s GLU 71 Cb 0.39 -2.77 1.19 0.00 -1.78 0.00 0.00 34.13 31.15 1dfx s GLU 71 CO -0.07 0.14 1.73 1.49 -0.49 0.00 0.00 175.26 178.06 1dfx h GLU 72 N 0.88 0.30 -0.09 1.61 4.57 -1.98 -1.37 114.58 118.49 1dfx h GLU 72 Ca -0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1dfx h GLU 72 Cb 1.24 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1dfx h GLU 72 CO 0.58 0.20 0.00 1.63 -1.18 0.00 0.00 179.01 180.23 1dfx n LYS 73 N -4.66 1.04 -3.28 1.92 4.76 -1.26 -4.86 118.16 111.82 1dfx n LYS 73 Ca 0.29 -1.35 -0.06 0.00 -2.87 0.00 0.00 58.31 54.31 1dfx n LYS 73 Cb 1.03 -1.22 -0.05 0.00 -1.84 0.00 0.00 35.03 32.94 1dfx n LYS 73 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1dfx s HIS 74 N -0.94 -1.16 0.19 2.13 2.46 -0.52 -4.83 115.29 112.63 1dfx s HIS 74 Ca 0.15 0.54 -0.13 0.00 0.47 0.00 0.00 55.06 56.08 1dfx s HIS 74 Cb 0.10 -0.04 0.01 0.00 -0.13 0.00 0.00 32.58 32.52 1dfx s HIS 74 CO 0.14 -0.98 0.42 1.67 -2.47 0.00 0.00 174.74 173.52 1dfx s TRP 75 N 2.60 0.16 -0.36 3.88 -2.14 -1.24 -1.07 118.94 120.77 1dfx s TRP 75 Ca 0.10 -0.51 -0.23 0.00 2.66 0.00 0.00 56.10 58.12 1dfx s TRP 75 Cb -0.12 0.18 0.01 0.00 -3.10 0.00 0.00 33.47 30.44 1dfx s TRP 75 CO -0.28 -0.85 0.79 0.42 -2.66 0.00 0.00 176.95 174.38 1dfx s ILE 76 N -3.93 4.73 0.25 0.66 -1.09 -1.26 -2.07 121.20 118.50 1dfx s ILE 76 Ca 0.14 0.95 0.10 0.00 -2.23 0.00 0.00 60.65 59.62 1dfx s ILE 76 Cb 0.01 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1dfx s ILE 76 CO -0.00 -0.41 1.58 -0.33 -1.23 0.00 0.00 174.94 174.55 1dfx h GLU 77 N 8.42 0.00 -2.41 2.79 5.08 -0.81 -3.39 114.58 124.26 1dfx h GLU 77 Ca -0.25 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1dfx h GLU 77 Cb 1.09 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.21 1dfx h GLU 77 CO 0.91 0.65 0.45 1.67 -1.00 0.00 0.00 179.01 181.69 1dfx s TRP 78 N -3.52 -0.32 -0.09 4.33 -2.14 -1.25 -0.95 118.94 115.01 1dfx s TRP 78 Ca -0.01 0.13 0.02 0.00 2.66 0.00 0.00 56.10 58.90 1dfx s TRP 78 Cb 0.12 0.57 0.01 0.00 -3.10 0.00 0.00 33.47 31.07 1dfx s TRP 78 CO 0.77 -0.66 -0.15 0.42 -2.66 0.00 0.00 176.95 174.66 1dfx s ILE 79 N -3.26 1.41 -0.07 0.66 1.01 -0.59 -2.05 121.20 118.33 1dfx s ILE 79 Ca 0.06 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1dfx s ILE 79 Cb -0.01 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.18 1dfx s ILE 79 CO -0.07 0.42 -0.21 -0.70 0.00 0.00 0.00 174.94 174.39 1dfx s GLU 80 N 0.73 2.36 -0.17 2.79 2.12 0.11 -0.39 118.70 126.26 1dfx s GLU 80 Ca -0.13 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.43 1dfx s GLU 80 Cb -0.16 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 32.29 1dfx s GLU 80 CO 0.03 0.22 -0.03 -1.17 -0.54 0.00 0.00 175.26 173.77 1dfx s LEU 81 N 0.18 3.22 -0.16 2.70 0.20 0.19 -0.64 118.68 124.37 1dfx s LEU 81 Ca -0.10 -0.16 -0.01 0.00 0.69 0.00 0.00 54.13 54.54 1dfx s LEU 81 Cb -0.15 -1.79 -0.01 0.00 -0.43 0.00 0.00 46.19 43.82 1dfx s LEU 81 CO 0.05 0.14 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.39 1dfx s LEU 82 N 0.55 2.77 -0.20 -0.68 1.43 0.21 -0.56 118.68 122.19 1dfx s LEU 82 Ca -0.03 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 52.44 1dfx s LEU 82 Cb -0.14 -1.65 0.10 0.00 0.03 0.00 0.00 46.19 44.52 1dfx s LEU 82 CO 0.03 0.09 0.86 0.00 0.23 0.00 0.00 176.35 177.56 1dfx s ALA 83 N 0.79 -1.86 0.00 4.21 0.00 -0.94 -0.49 121.76 123.45 1dfx s ALA 83 Ca -0.04 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1dfx s ALA 83 Cb -0.15 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1dfx s ALA 83 CO 0.01 -0.31 0.00 -3.47 0.00 0.00 0.00 175.76 171.99 1dfx n ASP 84 N 1.79 0.00 -0.03 0.00 2.03 -1.26 0.14 116.55 119.21 1dfx n ASP 84 Ca -0.14 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.17 1dfx n ASP 84 Cb 0.56 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1dfx n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dfx n GLY 85 N 0.12 0.22 3.41 0.27 0.00 -1.26 -4.98 105.19 102.97 1dfx n GLY 85 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1dfx n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dfx s ARG 86 N -1.33 1.48 -0.18 1.61 0.52 0.36 -5.10 118.95 116.31 1dfx s ARG 86 Ca 0.00 -1.49 -0.03 0.00 -0.52 0.00 0.00 55.73 53.70 1dfx s ARG 86 Cb 0.00 -1.82 0.05 0.00 0.52 0.00 0.00 34.95 33.70 1dfx s ARG 86 CO 0.00 0.40 0.03 0.45 0.02 0.00 0.00 175.30 176.20 1dfx s SER 87 N -2.55 2.72 -0.20 0.23 0.15 -1.26 -2.22 113.70 110.56 1dfx s SER 87 Ca 0.19 -0.72 -0.02 0.00 0.70 0.00 0.00 55.95 56.10 1dfx s SER 87 Cb -0.08 -0.58 -0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1dfx s SER 87 CO 0.09 -0.29 -0.09 -0.31 1.20 0.00 0.00 173.24 173.84 1dfx s TYR 88 N 1.87 2.90 -0.05 3.44 1.51 0.28 -4.95 117.35 122.34 1dfx s TYR 88 Ca -0.00 -1.07 0.06 0.00 -1.01 0.00 0.00 57.07 55.05 1dfx s TYR 88 Cb -0.16 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 1dfx s TYR 88 CO -0.08 -0.57 -0.22 0.99 -1.11 0.00 0.00 175.55 174.56 1dfx s THR 89 N 1.32 1.84 -0.20 -0.71 2.01 -1.26 0.54 115.64 119.17 1dfx s THR 89 Ca 0.04 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 1dfx s THR 89 Cb -0.14 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.82 1dfx s THR 89 CO -0.05 0.52 -0.13 -0.75 -0.69 0.00 0.00 174.62 173.52 1dfx s LYS 90 N -0.12 3.06 -0.05 4.92 2.47 0.48 -4.98 119.74 125.52 1dfx s LYS 90 Ca -0.03 -0.81 -0.20 0.00 -1.56 0.00 0.00 55.97 53.37 1dfx s LYS 90 Cb -0.13 -2.77 -0.05 0.00 -1.46 0.00 0.00 37.83 33.42 1dfx s LYS 90 CO 0.03 -0.25 0.57 -0.06 0.16 0.00 0.00 175.35 175.80 1dfx s PHE 91 N 1.35 3.62 0.21 4.03 0.08 -1.26 -1.53 117.98 124.47 1dfx s PHE 91 Ca 0.04 1.11 0.08 0.00 0.12 0.00 0.00 56.93 58.29 1dfx s PHE 91 Cb -0.14 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 1dfx s PHE 91 CO -0.09 0.27 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.77 1dfx s LEU 92 N 0.17 3.19 0.20 -0.37 1.43 -0.12 -4.96 118.68 118.22 1dfx s LEU 92 Ca 0.30 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1dfx s LEU 92 Cb -0.17 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1dfx s LEU 92 CO 0.15 0.06 -0.11 -0.54 0.23 0.00 0.00 176.35 176.14 1dfx s LYS 93 N -3.18 1.28 0.37 1.70 -0.14 -1.26 -4.62 119.74 113.89 1dfx s LYS 93 Ca 0.28 -1.58 -0.26 0.00 -1.36 0.00 0.00 55.97 53.05 1dfx s LYS 93 Cb -0.08 -0.94 -0.12 0.00 -1.68 0.00 0.00 37.83 35.01 1dfx s LYS 93 CO 0.18 0.11 1.16 -2.30 -0.76 0.00 0.00 175.35 173.74 1dfx n PRO 94 N -0.36 1.73 0.00 -1.68 -0.02 -1.26 -1.13 135.00 132.29 1dfx n PRO 94 Ca -0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1dfx n PRO 94 Cb 0.61 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1dfx n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dfx n GLY 95 N 0.97 2.20 3.93 -1.23 0.00 -0.15 -4.99 105.19 105.92 1dfx n GLY 95 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1dfx n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dfx s ASP 96 N -1.74 5.28 0.33 1.61 1.01 -0.28 -5.05 116.67 117.82 1dfx s ASP 96 Ca 0.00 0.54 -0.18 0.00 0.71 0.00 0.00 52.55 53.62 1dfx s ASP 96 Cb 0.00 -1.41 -0.09 0.00 1.01 0.00 0.00 42.92 42.43 1dfx s ASP 96 CO 0.00 -1.26 0.80 0.00 0.21 0.00 0.00 175.17 174.93 1dfx s ALA 97 N -3.05 3.26 -1.42 5.23 0.00 -1.26 -4.79 121.76 119.73 1dfx s ALA 97 Ca 0.56 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 1dfx s ALA 97 Cb -0.11 -2.91 0.07 0.00 0.00 0.00 0.00 23.12 20.17 1dfx s ALA 97 CO 0.44 0.27 2.28 -0.35 0.00 0.00 0.00 175.76 178.40 1dfx n PRO 98 N -0.11 3.50 -3.62 0.00 -0.04 -1.26 -4.84 135.00 128.64 1dfx n PRO 98 Ca 0.03 -2.94 -0.11 0.00 -0.04 0.00 0.00 63.50 60.44 1dfx n PRO 98 Cb 0.53 -2.99 -0.05 0.00 -0.04 0.00 0.00 33.50 30.95 1dfx n PRO 98 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1dfx s GLU 99 N 1.50 1.05 -0.11 0.54 -1.05 -1.26 -0.37 118.70 119.00 1dfx s GLU 99 Ca 0.50 -0.59 -0.18 0.00 -0.15 0.00 0.00 54.97 54.55 1dfx s GLU 99 Cb 0.14 0.47 0.04 0.00 -0.44 0.00 0.00 34.13 34.34 1dfx s GLU 99 CO -0.06 -0.40 0.45 0.00 0.95 0.00 0.00 175.26 176.20 1dfx s ALA 100 N -3.46 -1.14 -0.04 -0.84 0.00 -0.16 -4.97 121.76 111.16 1dfx s ALA 100 Ca 0.01 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.04 1dfx s ALA 100 Cb 0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1dfx s ALA 100 CO -0.10 -0.25 -0.13 0.12 0.00 0.00 0.00 175.76 175.40 1dfx s PHE 101 N -0.40 2.72 -0.05 0.00 5.36 -1.26 0.06 117.98 124.41 1dfx s PHE 101 Ca -0.05 -0.14 0.02 0.00 -0.96 0.00 0.00 56.93 55.79 1dfx s PHE 101 Cb -0.03 -1.61 0.01 0.00 -0.34 0.00 0.00 43.02 41.05 1dfx s PHE 101 CO 0.03 0.22 -0.09 -0.06 -1.46 0.00 0.00 175.22 173.87 1dfx s PHE 102 N -0.78 1.08 -0.48 10.12 0.08 -0.19 -4.98 117.98 122.82 1dfx s PHE 102 Ca 0.12 -0.35 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 1dfx s PHE 102 Cb -0.11 -0.83 0.03 0.00 -0.57 0.00 0.00 43.02 41.54 1dfx s PHE 102 CO 0.02 -0.21 0.82 0.00 -0.10 0.00 0.00 175.22 175.75 1dfx s ALA 103 N 0.66 3.26 -0.12 5.36 0.00 -1.26 -0.97 121.76 128.70 1dfx s ALA 103 Ca -0.11 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.58 1dfx s ALA 103 Cb -0.14 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.47 1dfx s ALA 103 CO 0.02 -2.07 0.37 -1.50 0.00 0.00 0.00 175.76 172.58 1dfx s ILE 104 N 3.44 0.01 -0.49 0.00 2.07 -1.03 -4.97 121.20 120.23 1dfx s ILE 104 Ca 0.29 -0.08 -0.17 0.00 -1.41 0.00 0.00 60.65 59.28 1dfx s ILE 104 Cb -0.13 -0.55 0.07 0.00 0.13 0.00 0.00 42.46 41.99 1dfx s ILE 104 CO 0.21 -0.04 0.47 -0.62 -1.91 0.00 0.00 174.94 173.04 1dfx s ASP 105 N -0.08 6.17 -0.29 4.50 2.15 -1.26 -4.33 116.67 123.52 1dfx s ASP 105 Ca -0.02 -1.24 -0.24 0.00 0.43 0.00 0.00 52.55 51.47 1dfx s ASP 105 Cb -0.03 -2.22 0.17 0.00 -0.30 0.00 0.00 42.92 40.55 1dfx s ASP 105 CO 0.01 -0.73 1.32 0.00 -0.17 0.00 0.00 175.17 175.60 1dfx s ALA 106 N 1.92 -2.20 -0.41 3.66 0.00 -1.26 -5.04 121.76 118.43 1dfx s ALA 106 Ca 0.07 1.77 0.23 0.00 0.00 0.00 0.00 51.96 54.02 1dfx s ALA 106 Cb -0.23 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1dfx s ALA 106 CO 0.08 -0.16 0.99 -1.13 0.00 0.00 0.00 175.76 175.54 1dfx n SER 107 N 1.92 0.62 -4.23 0.00 3.41 -1.26 -4.79 113.62 109.28 1dfx n SER 107 Ca -0.12 0.03 -0.34 0.00 -0.26 0.00 0.00 58.87 58.18 1dfx n SER 107 Cb 0.57 0.78 -0.15 0.00 -0.26 0.00 0.00 64.21 65.15 1dfx n SER 107 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1dfx s LYS 108 N -3.29 3.21 0.07 4.33 -2.85 -1.26 -4.92 119.74 115.03 1dfx s LYS 108 Ca 0.01 -0.71 0.02 0.00 -1.00 0.00 0.00 55.97 54.28 1dfx s LYS 108 Cb 0.13 -2.83 -0.04 0.00 -2.06 0.00 0.00 37.83 33.03 1dfx s LYS 108 CO 0.80 -0.21 -0.07 0.14 0.10 0.00 0.00 175.35 176.12 1dfx s VAL 109 N 1.40 0.59 -0.10 1.79 -7.23 -1.26 -4.61 120.40 110.98 1dfx s VAL 109 Ca 0.05 -1.62 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1dfx s VAL 109 Cb -0.14 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1dfx s VAL 109 CO -0.07 -0.71 -0.23 -0.89 -0.31 0.00 0.00 175.10 172.88 1dfx s THR 110 N -2.85 2.01 -0.10 5.32 2.01 0.35 -1.80 115.64 120.58 1dfx s THR 110 Ca 0.04 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.05 1dfx s THR 110 Cb 0.00 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1dfx s THR 110 CO -0.03 0.55 -0.13 0.00 -0.69 0.00 0.00 174.62 174.31 1dfx s ALA 111 N 0.33 2.65 0.09 7.40 0.00 0.13 -0.62 121.76 131.74 1dfx s ALA 111 Ca -0.18 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 50.94 1dfx s ALA 111 Cb -0.18 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 1dfx s ALA 111 CO 0.08 0.35 -0.19 1.03 0.00 0.00 0.00 175.76 177.04 1dfx s ARG 112 N -0.02 1.04 0.05 0.00 0.52 0.19 -0.94 118.95 119.79 1dfx s ARG 112 Ca -0.03 -1.09 -0.01 0.00 -0.52 0.00 0.00 55.73 54.08 1dfx s ARG 112 Cb -0.14 -1.23 -0.04 0.00 0.52 0.00 0.00 34.95 34.07 1dfx s ARG 112 CO 0.04 0.28 -0.03 -1.83 0.02 0.00 0.00 175.30 173.78 1dfx s GLU 113 N -1.82 0.57 -0.09 3.54 4.04 -0.21 0.08 118.70 124.82 1dfx s GLU 113 Ca 0.04 -1.11 0.01 0.00 0.04 0.00 0.00 54.97 53.95 1dfx s GLU 113 Cb -0.10 0.15 0.02 0.00 0.02 0.00 0.00 34.13 34.22 1dfx s GLU 113 CO 0.04 -0.09 -0.11 -0.47 -1.84 0.00 0.00 175.26 172.79 1dfx s TYR 114 N -3.40 1.51 -0.21 4.83 5.04 -0.87 -2.20 117.35 122.06 1dfx s TYR 114 Ca 0.03 -0.65 -0.08 0.00 -2.44 0.00 0.00 57.07 53.93 1dfx s TYR 114 Cb 0.04 -1.16 -0.04 0.00 0.35 0.00 0.00 41.96 41.15 1dfx s TYR 114 CO -0.08 -0.38 0.10 0.00 -1.34 0.00 0.00 175.55 173.85 1dfx h ASN 116 N 7.26 0.43 0.06 0.00 -1.07 -1.72 0.18 115.58 120.71 1dfx h ASN 116 Ca -0.37 0.11 -0.37 0.00 0.07 0.00 0.00 56.30 55.73 1dfx h ASN 116 Cb 1.17 0.05 -0.06 0.00 -2.07 0.00 0.00 38.32 37.41 1dfx h ASN 116 CO 0.66 0.01 -2.33 0.18 0.07 0.00 0.00 177.43 176.03 1dfx n LEU 117 N -4.70 1.77 -0.14 6.14 4.77 -1.26 -4.55 117.00 119.02 1dfx n LEU 117 Ca 0.28 -0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.38 1dfx n LEU 117 Cb 0.98 -0.38 0.29 0.00 -2.33 0.00 0.00 43.42 41.99 1dfx n LEU 117 CO 0.22 0.74 0.53 1.41 -1.33 0.00 0.00 177.39 178.96 1dfx n HIS 118 N -3.10 0.00 -2.85 -1.77 8.25 -1.00 -5.08 115.22 109.67 1dfx n HIS 118 Ca -0.38 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1dfx n HIS 118 Cb 1.06 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 32.00 1dfx n HIS 118 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dfx n GLY 119 N 1.41 -1.66 3.74 -1.41 0.00 0.58 -4.66 105.19 103.20 1dfx n GLY 119 Ca 0.09 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1dfx n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dfx s HIS 120 N 0.00 3.45 0.05 1.61 2.46 -1.26 -1.21 115.29 120.38 1dfx s HIS 120 Ca 0.00 0.46 0.01 0.00 0.47 0.00 0.00 55.06 56.00 1dfx s HIS 120 Cb 0.00 -2.22 -0.03 0.00 -0.13 0.00 0.00 32.58 30.20 1dfx s HIS 120 CO 0.00 0.30 -0.05 -1.58 -2.47 0.00 0.00 174.74 170.94 1dfx s TRP 121 N 0.30 0.55 0.29 3.88 0.52 -0.93 0.75 118.94 124.30 1dfx s TRP 121 Ca 0.12 -0.68 0.00 0.00 0.02 0.00 0.00 56.10 55.56 1dfx s TRP 121 Cb -0.12 -0.35 -0.02 0.00 -1.15 0.00 0.00 33.47 31.83 1dfx s TRP 121 CO 0.01 -0.18 0.31 -1.59 0.02 0.00 0.00 176.95 175.52 1dfx s LYS 122 N -2.34 1.62 0.02 4.98 -2.85 -1.26 -1.04 119.74 118.88 1dfx s LYS 122 Ca -0.05 -1.76 -0.28 0.00 -1.00 0.00 0.00 55.97 52.89 1dfx s LYS 122 Cb -0.04 0.36 0.08 0.00 -2.06 0.00 0.00 37.83 36.17 1dfx s LYS 122 CO -0.03 -0.62 0.71 0.00 0.10 0.00 0.00 175.35 175.52 1dfx s ALA 123 N -3.60 -1.73 0.12 0.59 0.00 -0.12 -4.49 121.76 112.54 1dfx s ALA 123 Ca 0.35 0.99 0.10 0.00 0.00 0.00 0.00 51.96 53.40 1dfx s ALA 123 Cb 0.03 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1dfx s ALA 123 CO 0.19 -0.56 -0.25 -1.21 0.00 0.00 0.00 175.76 173.93 1dfx s GLU 124 N -2.43 1.31 0.00 0.00 2.02 -1.26 0.19 118.70 118.52 1dfx s GLU 124 Ca -0.03 -1.29 0.20 0.00 0.02 0.00 0.00 54.97 53.87 1dfx s GLU 124 Cb -0.01 -1.72 1.18 0.00 0.10 0.00 0.00 34.13 33.68 1dfx s GLU 124 CO -0.02 0.41 1.57 -1.71 0.02 0.00 0.00 175.26 175.52