#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqx s GLN 2 N 0.00 3.37 -0.23 0.54 0.74 -1.26 -5.07 119.66 117.75 1fqx s GLN 2 Ca 0.00 -0.70 -0.07 0.00 0.05 0.00 0.00 55.36 54.64 1fqx s GLN 2 Cb 0.00 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 1fqx s GLN 2 CO 0.00 -0.39 0.06 0.42 -0.55 0.00 0.00 175.29 174.83 1fqx s ILE 3 N 1.61 4.40 0.74 -2.34 1.01 -1.26 -5.10 121.20 120.27 1fqx s ILE 3 Ca 0.05 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 1fqx s ILE 3 Cb -0.17 -3.03 0.08 0.00 0.01 0.00 0.00 42.46 39.35 1fqx s ILE 3 CO 0.06 0.37 1.07 0.42 0.00 0.00 0.00 174.94 176.86 1fqx s THR 4 N 1.27 2.20 -0.34 2.92 -4.23 -1.26 -5.03 115.64 111.18 1fqx s THR 4 Ca 0.05 -0.23 0.07 0.00 -1.18 0.00 0.00 61.69 60.39 1fqx s THR 4 Cb -0.15 -2.97 0.47 0.00 1.34 0.00 0.00 72.50 71.20 1fqx s THR 4 CO 0.03 0.00 1.42 0.18 -0.54 0.00 0.00 174.62 175.71 1fqx n LEU 5 N -3.05 4.78 0.12 4.79 4.77 -1.26 -4.56 117.00 122.60 1fqx n LEU 5 Ca 0.09 -4.24 0.04 0.00 -0.03 0.00 0.00 56.01 51.87 1fqx n LEU 5 Cb 0.60 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1fqx n LEU 5 CO 0.51 1.64 0.29 -0.50 -1.33 0.00 0.00 177.39 178.00 1fqx h TRP 6 N 1.59 0.00 -3.93 -1.77 4.06 -2.06 -3.45 115.95 110.39 1fqx h TRP 6 Ca 0.31 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.65 1fqx h TRP 6 Cb 1.42 0.00 -0.22 0.00 -1.00 0.00 0.00 29.16 29.36 1fqx h TRP 6 CO 1.00 0.38 -0.84 -0.65 -3.56 0.00 0.00 178.44 174.76 1fqx s GLN 7 N -3.04 1.24 0.09 0.49 -1.52 -1.26 -5.08 119.66 110.58 1fqx s GLN 7 Ca 0.02 -1.23 -0.35 0.00 -1.95 0.00 0.00 55.36 51.86 1fqx s GLN 7 Cb 0.08 -1.59 -0.14 0.00 -0.22 0.00 0.00 33.01 31.14 1fqx s GLN 7 CO 0.75 0.37 1.58 0.54 -0.25 0.00 0.00 175.29 178.29 1fqx n ARG 8 N 1.05 1.92 -1.36 2.91 1.74 -1.26 -4.77 116.66 116.88 1fqx n ARG 8 Ca -0.19 0.69 -0.40 0.00 -0.77 0.00 0.00 57.85 57.19 1fqx n ARG 8 Cb 0.53 -2.45 -0.06 0.00 -1.02 0.00 0.00 32.46 29.47 1fqx n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1fqx n PRO 9 N 3.79 1.49 -2.85 5.56 -0.04 -1.26 -4.91 135.00 136.77 1fqx n PRO 9 Ca 0.18 -1.98 -0.40 0.00 -0.04 0.00 0.00 63.50 61.26 1fqx n PRO 9 Cb 0.26 -3.11 -0.05 0.00 -0.04 0.00 0.00 33.50 30.56 1fqx n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fqx s LEU 10 N 3.60 4.54 0.00 1.53 1.43 -1.26 -1.84 118.68 126.69 1fqx s LEU 10 Ca 0.61 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 55.43 1fqx s LEU 10 Cb 0.11 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 42.87 1fqx s LEU 10 CO 0.13 0.06 -0.05 0.54 0.23 0.00 0.00 176.35 177.26 1fqx s VAL 11 N -0.51 0.38 -0.04 -1.59 0.11 0.11 -4.93 120.40 113.92 1fqx s VAL 11 Ca 0.41 -0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 1fqx s VAL 11 Cb -0.23 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1fqx s VAL 11 CO 0.28 0.01 0.97 -0.89 -3.33 0.00 0.00 175.10 172.14 1fqx s THR 12 N -0.33 4.86 0.05 5.04 2.01 -1.26 0.11 115.64 126.11 1fqx s THR 12 Ca -0.01 2.01 0.07 0.00 0.31 0.00 0.00 61.69 64.08 1fqx s THR 12 Cb -0.03 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 1fqx s THR 12 CO -0.00 0.12 -0.21 0.27 -0.69 0.00 0.00 174.62 174.11 1fqx s ILE 13 N 1.29 1.67 -0.33 1.82 -4.36 -1.17 -2.02 121.20 118.10 1fqx s ILE 13 Ca 0.50 -1.23 -0.02 0.00 -0.26 0.00 0.00 60.65 59.64 1fqx s ILE 13 Cb -0.20 -1.46 0.07 0.00 1.25 0.00 0.00 42.46 42.12 1fqx s ILE 13 CO 0.24 0.18 0.06 -0.75 0.24 0.00 0.00 174.94 174.92 1fqx s LYS 14 N -1.24 2.27 -0.03 0.37 2.20 -0.00 -0.75 119.74 122.55 1fqx s LYS 14 Ca 0.07 -1.45 0.02 0.00 -0.36 0.00 0.00 55.97 54.26 1fqx s LYS 14 Cb -0.09 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1fqx s LYS 14 CO 0.02 -0.76 -0.07 -1.50 -0.36 0.00 0.00 175.35 172.68 1fqx s ILE 15 N 1.21 0.68 -0.55 5.43 2.07 -0.80 -1.70 121.20 127.53 1fqx s ILE 15 Ca -0.01 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 1fqx s ILE 15 Cb -0.20 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 41.75 1fqx s ILE 15 CO -0.02 0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.85 1fqx n GLY 16 N 3.57 0.77 2.18 1.50 0.00 -1.26 -2.38 105.19 109.58 1fqx n GLY 16 Ca -0.21 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 1fqx n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fqx n GLY 17 N -2.07 0.41 3.30 -0.02 0.00 -1.26 -5.02 105.19 100.53 1fqx n GLY 17 Ca -0.05 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1fqx n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fqx s GLN 18 N -3.73 1.18 -0.22 1.61 -0.21 -1.00 -5.13 119.66 112.16 1fqx s GLN 18 Ca 0.00 -1.30 -0.12 0.00 0.02 0.00 0.00 55.36 53.97 1fqx s GLN 18 Cb 0.00 -1.27 -0.05 0.00 1.00 0.00 0.00 33.01 32.69 1fqx s GLN 18 CO 0.00 0.27 0.20 -0.51 -2.12 0.00 0.00 175.29 173.13 1fqx s LEU 19 N -2.38 4.15 0.00 2.90 2.01 -1.26 -1.90 118.68 122.20 1fqx s LEU 19 Ca 0.11 0.23 0.00 0.00 0.01 0.00 0.00 54.13 54.49 1fqx s LEU 19 Cb -0.07 -2.19 0.00 0.00 0.01 0.00 0.00 46.19 43.94 1fqx s LEU 19 CO 0.05 0.07 0.00 0.29 1.01 0.00 0.00 176.35 177.77 1fqx n LYS 20 N 4.11 2.08 -3.67 1.70 4.76 0.07 -5.02 118.16 122.19 1fqx n LYS 20 Ca -0.14 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.22 1fqx n LYS 20 Cb 0.52 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.62 1fqx n LYS 20 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1fqx s GLU 21 N -0.08 0.49 0.08 1.97 2.12 -1.26 -3.05 118.70 118.96 1fqx s GLU 21 Ca 0.00 1.02 0.06 0.00 0.36 0.00 0.00 54.97 56.40 1fqx s GLU 21 Cb 0.00 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 1fqx s GLU 21 CO 0.00 -0.18 -0.15 0.00 -0.54 0.00 0.00 175.26 174.39 1fqx s ALA 22 N 1.81 1.27 0.22 6.30 0.00 0.30 -4.48 121.76 127.19 1fqx s ALA 22 Ca -0.08 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 50.56 1fqx s ALA 22 Cb -0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 23.12 22.83 1fqx s ALA 22 CO -0.15 0.19 0.88 -1.17 0.00 0.00 0.00 175.76 175.51 1fqx s LEU 23 N -1.78 4.60 -0.69 0.00 0.20 -0.35 0.05 118.68 120.72 1fqx s LEU 23 Ca -0.01 1.82 -0.20 0.00 0.69 0.00 0.00 54.13 56.44 1fqx s LEU 23 Cb -0.10 -3.53 0.10 0.00 -0.43 0.00 0.00 46.19 42.24 1fqx s LEU 23 CO 0.03 0.16 0.87 -0.76 -0.29 0.00 0.00 176.35 176.36 1fqx s LEU 24 N -1.25 5.07 -0.30 -0.68 1.43 -0.77 -0.14 118.68 122.04 1fqx s LEU 24 Ca 0.40 -1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 51.92 1fqx s LEU 24 Cb -0.24 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 1fqx s LEU 24 CO 0.29 -1.19 0.18 -0.62 0.23 0.00 0.00 176.35 175.25 1fqx s ASP 25 N 3.57 5.85 0.06 2.29 2.15 -0.34 -4.89 116.67 125.36 1fqx s ASP 25 Ca 0.19 -0.24 0.25 0.00 0.43 0.00 0.00 52.55 53.18 1fqx s ASP 25 Cb -0.17 -2.08 0.46 0.00 -0.30 0.00 0.00 42.92 40.83 1fqx s ASP 25 CO 0.04 -0.13 1.40 0.35 -0.17 0.00 0.00 175.17 176.66 1fqx n THR 26 N 5.04 0.19 1.12 1.71 -2.24 -1.26 -3.41 114.28 115.44 1fqx n THR 26 Ca -0.14 -0.15 0.12 0.00 -2.27 0.00 0.00 64.05 61.62 1fqx n THR 26 Cb 0.51 -0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.03 1fqx n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fqx n GLY 27 N 1.41 -0.87 3.66 3.38 0.00 -1.26 -4.81 105.19 106.69 1fqx n GLY 27 Ca 0.04 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1fqx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqx s ALA 28 N -2.73 3.55 0.01 4.61 0.00 -1.22 -4.94 121.76 121.04 1fqx s ALA 28 Ca 0.18 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 1fqx s ALA 28 Cb 0.18 -2.85 -0.19 0.00 0.00 0.00 0.00 23.12 20.26 1fqx s ALA 28 CO 0.61 -0.50 1.19 -0.44 0.00 0.00 0.00 175.76 176.62 1fqx h ASP 29 N 7.53 0.45 -1.97 0.00 3.32 -1.88 -1.20 116.42 122.66 1fqx h ASP 29 Ca -0.33 -0.65 -0.48 0.00 0.02 0.00 0.00 57.03 55.59 1fqx h ASP 29 Cb 1.15 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1fqx h ASP 29 CO 0.74 1.03 -0.44 -1.81 -1.72 0.00 0.00 179.24 177.04 1fqx s ASP 30 N -6.46 5.65 -0.39 6.45 1.01 -1.26 -2.75 116.67 118.92 1fqx s ASP 30 Ca -0.14 -0.28 -0.14 0.00 0.71 0.00 0.00 52.55 52.70 1fqx s ASP 30 Cb 0.04 -1.26 0.01 0.00 1.01 0.00 0.00 42.92 42.72 1fqx s ASP 30 CO 0.79 -0.25 0.27 -0.89 0.21 0.00 0.00 175.17 175.29 1fqx s THR 31 N -2.19 5.11 -0.21 -1.27 2.01 -1.26 -3.37 115.64 114.47 1fqx s THR 31 Ca 0.39 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 1fqx s THR 31 Cb -0.08 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.65 1fqx s THR 31 CO 0.28 -0.23 -0.12 0.54 -0.69 0.00 0.00 174.62 174.39 1fqx s VAL 32 N 1.66 2.57 0.13 3.82 0.11 -0.78 -0.70 120.40 127.22 1fqx s VAL 32 Ca 0.05 -0.89 0.04 0.00 -2.93 0.00 0.00 61.98 58.25 1fqx s VAL 32 Cb -0.19 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.44 1fqx s VAL 32 CO 0.09 0.40 0.11 -0.76 -3.33 0.00 0.00 175.10 171.61 1fqx s LEU 33 N 1.33 3.80 0.00 2.54 1.43 0.18 -0.81 118.68 127.15 1fqx s LEU 33 Ca 0.03 -0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 1fqx s LEU 33 Cb -0.15 -2.44 0.28 0.00 0.03 0.00 0.00 46.19 43.92 1fqx s LEU 33 CO -0.08 0.11 0.64 -1.84 0.23 0.00 0.00 176.35 175.41 1fqx n GLU 34 N -0.01 -3.73 -2.34 1.70 0.28 -1.26 -1.97 120.64 113.31 1fqx n GLU 34 Ca -0.08 -1.07 -0.41 0.00 -0.16 0.00 0.00 57.16 55.43 1fqx n GLU 34 Cb 0.53 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.88 1fqx n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1fqx s GLU 35 N -4.38 4.48 0.17 3.44 0.41 -1.23 -4.26 118.70 117.33 1fqx s GLU 35 Ca 0.49 1.92 -0.24 0.00 -0.41 0.00 0.00 54.97 56.74 1fqx s GLU 35 Cb -0.09 -3.21 0.06 0.00 -1.78 0.00 0.00 34.13 29.11 1fqx s GLU 35 CO 0.41 -0.09 0.96 0.00 -0.49 0.00 0.00 175.26 176.05 1fqx s MET 36 N -0.45 1.28 -0.41 1.61 0.23 -1.26 -5.07 119.30 115.23 1fqx s MET 36 Ca 0.52 -0.73 -0.26 0.00 -1.03 0.00 0.00 55.69 54.19 1fqx s MET 36 Cb -0.34 0.42 0.02 0.00 -1.53 0.00 0.00 34.83 33.40 1fqx s MET 36 CO 0.39 -0.59 0.95 0.45 -2.03 0.00 0.00 175.02 174.18 1fqx s SER 37 N -3.01 6.61 -0.02 -1.18 0.15 -1.26 -5.04 113.70 109.94 1fqx s SER 37 Ca 0.14 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.23 1fqx s SER 37 Cb -0.02 -2.47 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 1fqx s SER 37 CO 0.03 -0.96 -0.14 -0.22 1.20 0.00 0.00 173.24 173.15 1fqx s LEU 38 N 3.67 1.94 0.54 3.45 2.96 -1.26 -4.97 118.68 125.01 1fqx s LEU 38 Ca 0.39 -0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 53.83 1fqx s LEU 38 Cb -0.11 -0.78 -0.06 0.00 0.50 0.00 0.00 46.19 45.74 1fqx s LEU 38 CO 0.23 0.15 1.10 -2.84 -1.32 0.00 0.00 176.35 173.66 1fqx s PRO 39 N -0.11 3.42 0.00 0.98 0.02 -1.26 -4.96 135.00 133.09 1fqx s PRO 39 Ca 0.01 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1fqx s PRO 39 Cb -0.08 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1fqx s PRO 39 CO 0.01 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 1fqx n GLY 40 N -0.11 0.53 3.83 0.52 0.00 -1.26 -4.99 105.19 103.71 1fqx n GLY 40 Ca 0.11 -1.92 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 1fqx n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fqx s ARG 41 N -1.80 4.10 0.16 1.61 0.52 -1.26 -5.09 118.95 117.20 1fqx s ARG 41 Ca 0.00 0.64 0.01 0.00 -0.52 0.00 0.00 55.73 55.86 1fqx s ARG 41 Cb 0.00 -3.03 -0.00 0.00 0.52 0.00 0.00 34.95 32.44 1fqx s ARG 41 CO 0.00 0.52 0.02 -2.67 0.02 0.00 0.00 175.30 173.19 1fqx n TRP 42 N 1.11 0.25 -3.84 -0.53 4.27 -1.26 -4.80 117.44 112.63 1fqx n TRP 42 Ca -0.07 -0.88 -0.12 0.00 -3.89 0.00 0.00 57.50 52.55 1fqx n TRP 42 Cb 0.51 -0.07 -0.12 0.00 -1.36 0.00 0.00 31.31 30.28 1fqx n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1fqx s LYS 43 N -2.59 0.26 0.13 -2.67 1.02 -0.87 -4.95 119.74 110.07 1fqx s LYS 43 Ca 0.03 0.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.73 1fqx s LYS 43 Cb 0.00 0.12 -0.06 0.00 -0.52 0.00 0.00 37.83 37.36 1fqx s LYS 43 CO 0.02 -0.05 1.02 -1.25 -0.92 0.00 0.00 175.35 174.18 1fqx s PRO 44 N -0.37 4.65 0.29 -1.68 0.04 -1.26 0.65 135.00 137.31 1fqx s PRO 44 Ca -0.05 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.59 1fqx s PRO 44 Cb -0.03 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1fqx s PRO 44 CO 0.01 0.14 0.19 0.21 0.04 0.00 0.00 177.00 177.58 1fqx s LYS 45 N -0.05 1.55 -0.03 4.56 2.20 0.81 -4.90 119.74 123.88 1fqx s LYS 45 Ca 0.49 -1.88 -0.01 0.00 -0.36 0.00 0.00 55.97 54.21 1fqx s LYS 45 Cb -0.26 0.13 0.03 0.00 -1.51 0.00 0.00 37.83 36.22 1fqx s LYS 45 CO 0.31 -0.50 0.06 -1.64 -0.36 0.00 0.00 175.35 173.22 1fqx s MET 46 N -3.78 -0.04 0.20 4.03 -1.94 -1.26 -0.75 119.30 115.76 1fqx s MET 46 Ca 0.38 0.30 0.11 0.00 -1.71 0.00 0.00 55.69 54.77 1fqx s MET 46 Cb 0.05 -0.34 -0.04 0.00 2.01 0.00 0.00 34.83 36.50 1fqx s MET 46 CO 0.19 -0.24 -0.23 0.96 -0.01 0.00 0.00 175.02 175.70 1fqx s ILE 47 N 1.55 2.31 0.07 2.53 -4.36 -0.80 -4.92 121.20 117.58 1fqx s ILE 47 Ca -0.03 -2.06 0.07 0.00 -0.26 0.00 0.00 60.65 58.37 1fqx s ILE 47 Cb -0.12 -2.11 -0.03 0.00 1.25 0.00 0.00 42.46 41.44 1fqx s ILE 47 CO -0.03 -0.16 -0.18 -0.83 0.24 0.00 0.00 174.94 173.97 1fqx s GLY 48 N -2.75 1.05 0.15 6.27 0.00 -1.26 0.38 107.32 111.16 1fqx s GLY 48 Ca 0.21 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 1fqx s GLY 48 CO 0.10 -1.04 0.22 0.61 0.00 0.00 0.00 173.10 172.99 1fqx n GLY 49 N 1.52 2.60 3.66 0.20 0.00 -0.86 -4.97 105.19 107.34 1fqx n GLY 49 Ca -0.19 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 1fqx n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fqx s ILE 50 N -2.60 3.22 0.00 -0.61 -5.25 -1.26 -1.93 121.20 112.77 1fqx s ILE 50 Ca 0.12 0.32 0.00 0.00 -0.99 0.00 0.00 60.65 60.10 1fqx s ILE 50 Cb -0.01 -3.21 0.00 0.00 2.95 0.00 0.00 42.46 42.20 1fqx s ILE 50 CO 0.09 -0.03 0.00 0.61 -1.79 0.00 0.00 174.94 173.82 1fqx n GLY 51 N 4.33 0.74 0.00 6.27 0.00 -1.26 -5.06 105.19 110.21 1fqx n GLY 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1fqx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fqx n GLY 52 N -0.01 0.82 3.84 -0.02 0.00 -0.81 -5.11 105.19 103.90 1fqx n GLY 52 Ca 0.00 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1fqx n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fqx s PHE 53 N -1.24 3.56 0.01 1.61 0.40 -1.25 -2.02 117.98 119.04 1fqx s PHE 53 Ca 0.00 0.49 0.08 0.00 -0.60 0.00 0.00 56.93 56.90 1fqx s PHE 53 Cb 0.00 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1fqx s PHE 53 CO 0.00 0.63 -0.24 0.96 0.70 0.00 0.00 175.22 177.27 1fqx s ILE 54 N -0.69 2.29 -0.36 0.64 -4.36 0.16 -4.90 121.20 113.99 1fqx s ILE 54 Ca 0.13 -1.19 -0.26 0.00 -0.26 0.00 0.00 60.65 59.08 1fqx s ILE 54 Cb -0.12 -1.87 0.01 0.00 1.25 0.00 0.00 42.46 41.74 1fqx s ILE 54 CO 0.03 0.47 0.93 -0.75 0.24 0.00 0.00 174.94 175.85 1fqx s LYS 55 N -0.98 3.86 0.28 0.37 2.20 -1.26 -1.90 119.74 122.31 1fqx s LYS 55 Ca 0.11 0.61 0.10 0.00 -0.36 0.00 0.00 55.97 56.44 1fqx s LYS 55 Cb -0.10 -3.80 -0.05 0.00 -1.51 0.00 0.00 37.83 32.38 1fqx s LYS 55 CO 0.01 -0.93 -0.08 0.14 -0.36 0.00 0.00 175.35 174.13 1fqx s VAL 56 N 3.46 2.92 -0.21 4.02 -7.23 0.07 -4.63 120.40 118.81 1fqx s VAL 56 Ca 0.38 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 1fqx s VAL 56 Cb -0.12 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.15 1fqx s VAL 56 CO 0.18 -0.36 0.19 -0.13 -0.31 0.00 0.00 175.10 174.67 1fqx s ARG 57 N -3.61 4.15 -0.11 4.82 0.52 0.12 -0.13 118.95 124.71 1fqx s ARG 57 Ca 0.31 -0.16 -0.08 0.00 -0.52 0.00 0.00 55.73 55.28 1fqx s ARG 57 Cb -0.05 -3.48 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1fqx s ARG 57 CO 0.18 0.16 0.18 -1.14 0.02 0.00 0.00 175.30 174.70 1fqx s GLN 58 N 0.75 3.55 -0.03 3.54 0.74 0.21 -0.08 119.66 128.34 1fqx s GLN 58 Ca 0.10 -0.05 0.03 0.00 0.05 0.00 0.00 55.36 55.49 1fqx s GLN 58 Cb -0.13 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1fqx s GLN 58 CO 0.02 0.74 -0.12 0.71 -0.55 0.00 0.00 175.29 176.10 1fqx s TYR 59 N -0.97 1.21 0.51 1.67 1.51 -0.47 -2.05 117.35 118.77 1fqx s TYR 59 Ca 0.16 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 55.96 1fqx s TYR 59 Cb -0.13 -0.85 0.03 0.00 -0.11 0.00 0.00 41.96 40.90 1fqx s TYR 59 CO 0.05 -0.13 0.45 -0.51 -1.11 0.00 0.00 175.55 174.30 1fqx s ASP 60 N 0.18 4.81 -0.65 2.29 1.11 -1.26 0.31 116.67 123.46 1fqx s ASP 60 Ca -0.04 -1.04 -0.04 0.00 0.18 0.00 0.00 52.55 51.61 1fqx s ASP 60 Cb -0.10 0.10 0.01 0.00 1.07 0.00 0.00 42.92 43.99 1fqx s ASP 60 CO 0.01 -1.00 0.45 0.00 1.18 0.00 0.00 175.17 175.81 1fqx n GLN 61 N -1.76 -1.03 -4.01 8.23 1.13 -1.19 -4.82 117.38 113.92 1fqx n GLN 61 Ca 0.02 0.45 -0.30 0.00 -1.94 0.00 0.00 57.00 55.23 1fqx n GLN 61 Cb 0.63 -1.61 -0.16 0.00 0.11 0.00 0.00 30.24 29.21 1fqx n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1fqx s ILE 62 N -2.90 1.63 0.27 5.09 1.01 0.20 -4.84 121.20 121.65 1fqx s ILE 62 Ca 0.05 -0.85 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 1fqx s ILE 62 Cb -0.03 -1.62 -0.09 0.00 0.01 0.00 0.00 42.46 40.73 1fqx s ILE 62 CO 0.67 0.30 1.12 -0.22 0.00 0.00 0.00 174.94 176.81 1fqx s LEU 63 N 1.43 4.53 0.04 2.97 2.96 -1.26 -1.31 118.68 128.04 1fqx s LEU 63 Ca 0.02 2.28 -0.10 0.00 -0.22 0.00 0.00 54.13 56.11 1fqx s LEU 63 Cb -0.15 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1fqx s LEU 63 CO -0.09 -0.19 0.20 -0.51 -1.32 0.00 0.00 176.35 174.43 1fqx s ILE 64 N -1.01 0.11 -0.28 6.68 2.07 -0.59 -4.42 121.20 123.75 1fqx s ILE 64 Ca 0.46 -0.87 -0.00 0.00 -1.41 0.00 0.00 60.65 58.82 1fqx s ILE 64 Cb -0.32 -0.89 0.09 0.00 0.13 0.00 0.00 42.46 41.46 1fqx s ILE 64 CO 0.41 -0.48 0.06 -1.61 -1.91 0.00 0.00 174.94 171.41 1fqx s GLU 65 N -2.51 0.91 -0.10 3.50 2.02 -0.69 -1.51 118.70 120.33 1fqx s GLU 65 Ca -0.05 -1.03 -0.17 0.00 0.02 0.00 0.00 54.97 53.74 1fqx s GLU 65 Cb -0.01 -2.22 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 1fqx s GLU 65 CO -0.04 -0.87 0.45 0.42 0.02 0.00 0.00 175.26 175.25 1fqx s ILE 66 N 1.56 5.16 -0.58 -1.63 1.01 -0.41 -0.82 121.20 125.49 1fqx s ILE 66 Ca 0.06 0.90 -0.09 0.00 0.00 0.00 0.00 60.65 61.51 1fqx s ILE 66 Cb -0.18 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.52 1fqx s ILE 66 CO -0.18 0.38 0.18 0.00 0.00 0.00 0.00 174.94 175.32 1fqx n GLY 68 N -1.53 2.64 3.76 0.00 0.00 -1.26 -5.01 105.19 103.79 1fqx n GLY 68 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1fqx n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fqx s HIS 69 N -0.77 3.78 0.06 1.61 4.02 0.15 -5.00 115.29 119.14 1fqx s HIS 69 Ca 0.00 1.82 0.00 0.00 1.02 0.00 0.00 55.06 57.90 1fqx s HIS 69 Cb 0.00 -3.07 -0.04 0.00 -1.02 0.00 0.00 32.58 28.45 1fqx s HIS 69 CO 0.00 0.07 0.20 0.15 1.02 0.00 0.00 174.74 176.18 1fqx s LYS 70 N -1.49 3.41 -0.29 1.40 1.02 -1.26 -1.28 119.74 121.25 1fqx s LYS 70 Ca 0.45 -0.45 -0.15 0.00 0.02 0.00 0.00 55.97 55.84 1fqx s LYS 70 Cb -0.26 -3.03 0.11 0.00 -0.52 0.00 0.00 37.83 34.13 1fqx s LYS 70 CO 0.33 0.61 0.74 0.00 -0.92 0.00 0.00 175.35 176.11 1fqx s ALA 71 N -1.50 -2.02 -0.41 5.17 0.00 -0.57 -4.87 121.76 117.57 1fqx s ALA 71 Ca 0.34 2.36 -0.14 0.00 0.00 0.00 0.00 51.96 54.52 1fqx s ALA 71 Cb -0.13 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.43 1fqx s ALA 71 CO 0.27 -0.54 0.29 0.42 0.00 0.00 0.00 175.76 176.21 1fqx s ILE 72 N 1.94 5.10 0.00 0.00 1.01 -1.26 -1.55 121.20 126.44 1fqx s ILE 72 Ca -0.09 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1fqx s ILE 72 Cb -0.07 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1fqx s ILE 72 CO -0.19 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.03 1fqx n GLY 73 N 5.13 3.72 3.67 6.18 0.00 -0.42 -4.67 105.19 118.79 1fqx n GLY 73 Ca -0.11 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1fqx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fqx s THR 74 N -2.14 5.11 -0.11 2.61 2.01 -1.26 0.59 115.64 122.45 1fqx s THR 74 Ca 0.00 0.99 0.03 0.00 0.31 0.00 0.00 61.69 63.02 1fqx s THR 74 Cb 0.00 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.65 1fqx s THR 74 CO 0.00 0.19 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.22 1fqx s VAL 75 N 1.51 2.34 -0.16 3.82 1.01 0.15 -4.49 120.40 124.58 1fqx s VAL 75 Ca 0.25 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 1fqx s VAL 75 Cb -0.15 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1fqx s VAL 75 CO 0.10 0.55 0.33 -0.76 0.00 0.00 0.00 175.10 175.32 1fqx s LEU 76 N 0.33 4.24 -0.20 3.92 1.02 0.12 -1.36 118.68 126.76 1fqx s LEU 76 Ca -0.16 0.56 -0.02 0.00 0.02 0.00 0.00 54.13 54.53 1fqx s LEU 76 Cb -0.17 -2.43 0.00 0.00 0.02 0.00 0.00 46.19 43.61 1fqx s LEU 76 CO 0.08 0.08 -0.11 -0.69 0.02 0.00 0.00 176.35 175.72 1fqx s VAL 77 N 0.52 2.82 0.11 -1.59 1.01 0.89 0.50 120.40 124.66 1fqx s VAL 77 Ca 0.18 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1fqx s VAL 77 Cb -0.13 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1fqx s VAL 77 CO 0.05 0.48 0.33 0.61 0.00 0.00 0.00 175.10 176.57 1fqx n GLY 78 N 4.65 1.33 2.47 4.51 0.00 -0.83 0.12 105.19 117.44 1fqx n GLY 78 Ca -0.19 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 1fqx n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fqx n PRO 79 N -0.23 1.60 -3.18 1.61 -0.04 -1.26 -3.52 135.00 129.97 1fqx n PRO 79 Ca -0.02 -1.04 -0.39 0.00 -0.04 0.00 0.00 63.50 62.01 1fqx n PRO 79 Cb 0.21 -2.15 -0.05 0.00 -0.04 0.00 0.00 33.50 31.47 1fqx n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1fqx s THR 80 N 2.86 5.07 0.62 0.52 -1.32 -1.26 -4.95 115.64 117.17 1fqx s THR 80 Ca 0.36 1.22 0.32 0.00 -1.21 0.00 0.00 61.69 62.39 1fqx s THR 80 Cb 0.13 -3.94 0.37 0.00 -1.51 0.00 0.00 72.50 67.55 1fqx s THR 80 CO -0.02 0.32 2.11 1.55 -2.21 0.00 0.00 174.62 176.37 1fqx h PRO 81 N 6.48 0.00 -2.95 7.08 0.13 -1.98 -3.42 132.00 137.34 1fqx h PRO 81 Ca -0.42 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 1fqx h PRO 81 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 1fqx h PRO 81 CO 0.74 0.00 -0.26 0.14 -0.23 0.00 0.00 178.00 178.39 1fqx s VAL 82 N -4.43 0.04 0.34 1.56 -7.23 -1.26 -5.08 120.40 104.34 1fqx s VAL 82 Ca -0.04 -0.34 -0.29 0.00 -1.81 0.00 0.00 61.98 59.50 1fqx s VAL 82 Cb 0.13 -0.61 -0.11 0.00 0.56 0.00 0.00 36.38 36.36 1fqx s VAL 82 CO 0.46 -0.19 1.39 0.20 -0.31 0.00 0.00 175.10 176.65 1fqx s ASN 83 N -0.97 6.59 -0.09 4.85 0.01 -1.26 -4.71 114.94 119.35 1fqx s ASN 83 Ca -0.10 2.83 0.01 0.00 -0.71 0.00 0.00 52.86 54.89 1fqx s ASN 83 Cb -0.04 -2.65 0.02 0.00 0.41 0.00 0.00 41.25 38.98 1fqx s ASN 83 CO 0.04 -0.68 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.20 1fqx s ILE 84 N -1.04 1.20 -0.42 0.60 1.01 0.01 -1.21 121.20 121.35 1fqx s ILE 84 Ca 0.51 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 1fqx s ILE 84 Cb -0.43 -1.13 0.03 0.00 0.01 0.00 0.00 42.46 40.95 1fqx s ILE 84 CO 0.56 0.38 0.31 -0.63 0.00 0.00 0.00 174.94 175.57 1fqx s ILE 85 N 1.12 5.16 0.41 2.92 -1.09 0.80 -1.87 121.20 128.66 1fqx s ILE 85 Ca -0.05 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.60 1fqx s ILE 85 Cb -0.14 -3.93 0.08 0.00 -1.58 0.00 0.00 42.46 36.88 1fqx s ILE 85 CO -0.02 -0.37 0.57 0.61 -1.23 0.00 0.00 174.94 174.49 1fqx n GLY 86 N 5.15 1.26 0.29 6.18 0.00 -1.22 -1.20 105.19 115.66 1fqx n GLY 86 Ca -0.11 -2.09 0.14 0.00 0.00 0.00 0.00 46.02 43.96 1fqx n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fqx h ARG 87 N 0.00 0.00 -0.11 1.61 3.08 -1.19 0.48 114.38 118.24 1fqx h ARG 87 Ca -0.19 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.89 1fqx h ARG 87 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1fqx h ARG 87 CO 0.23 0.00 0.09 -2.95 -1.07 0.00 0.00 179.97 176.27 1fqx h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.79 -2.37 115.58 117.38 1fqx h ASN 88 Ca 0.01 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.17 1fqx h ASN 88 Cb 0.06 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.27 1fqx h ASN 88 CO -0.00 0.00 -1.80 0.18 0.07 0.00 0.00 177.43 175.88 1fqx n LEU 89 N -4.35 1.60 -0.02 6.14 4.77 -0.94 -4.49 117.00 119.70 1fqx n LEU 89 Ca -0.00 -0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.07 1fqx n LEU 89 Cb 0.20 -0.14 0.57 0.00 -2.33 0.00 0.00 43.42 41.72 1fqx n LEU 89 CO 0.33 0.53 1.17 -0.07 -1.33 0.00 0.00 177.39 178.02 1fqx h LEU 90 N 0.00 0.22 -0.84 2.23 3.38 -0.81 0.13 115.31 119.62 1fqx h LEU 90 Ca -0.31 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 1fqx h LEU 90 Cb 1.59 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1fqx h LEU 90 CO -0.02 0.13 -0.52 0.71 0.09 0.00 0.00 178.44 178.84 1fqx h THR 91 N 0.25 1.36 -0.05 0.22 1.35 -1.67 -2.00 112.91 112.37 1fqx h THR 91 Ca 0.24 -1.78 -0.10 0.00 -0.55 0.00 0.00 66.41 64.23 1fqx h THR 91 Cb 0.63 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1fqx h THR 91 CO -0.05 0.52 -0.42 1.56 -0.25 0.00 0.00 175.52 176.88 1fqx h GLN 92 N 0.13 0.11 -0.51 4.72 4.20 -0.97 -2.10 115.11 120.68 1fqx h GLN 92 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1fqx h GLN 92 Cb 0.96 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1fqx h GLN 92 CO 0.08 0.51 0.00 0.44 -0.67 0.00 0.00 178.83 179.19 1fqx n ILE 93 N -4.03 0.72 -3.41 2.54 -5.35 -1.12 -4.95 119.36 103.77 1fqx n ILE 93 Ca -0.02 -0.68 -0.18 0.00 -0.27 0.00 0.00 62.75 61.60 1fqx n ILE 93 Cb 0.46 0.30 0.07 0.00 -1.74 0.00 0.00 39.64 38.73 1fqx n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fqx n GLY 94 N 1.25 -0.82 3.84 3.28 0.00 -0.79 -5.00 105.19 106.94 1fqx n GLY 94 Ca 0.17 0.38 -0.38 0.00 0.00 0.00 0.00 46.02 46.20 1fqx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqx s THR 96 N -1.13 1.29 -0.41 0.00 -4.23 -1.26 -4.82 115.64 105.07 1fqx s THR 96 Ca 0.26 -1.71 -0.10 0.00 -1.18 0.00 0.00 61.69 58.96 1fqx s THR 96 Cb -0.17 -1.51 0.06 0.00 1.34 0.00 0.00 72.50 72.22 1fqx s THR 96 CO 0.15 -0.43 0.25 -0.22 -0.54 0.00 0.00 174.62 173.83 1fqx s LEU 97 N -2.45 5.06 -0.26 4.79 2.96 -1.26 -5.05 118.68 122.46 1fqx s LEU 97 Ca 0.09 -1.33 -0.02 0.00 -0.22 0.00 0.00 54.13 52.64 1fqx s LEU 97 Cb -0.05 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.66 1fqx s LEU 97 CO 0.03 -0.50 -0.03 0.20 -1.32 0.00 0.00 176.35 174.73 1fqx s ASN 98 N 1.99 4.54 0.00 3.68 -0.87 -1.26 -5.31 114.94 117.71 1fqx s ASN 98 Ca 0.03 -0.92 0.00 0.00 -1.57 0.00 0.00 52.86 50.39 1fqx s ASN 98 Cb -0.22 -1.70 0.00 0.00 -0.02 0.00 0.00 41.25 39.31 1fqx s ASN 98 CO 0.04 -0.16 0.06 2.22 -2.57 0.00 0.00 177.10 176.69