#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fg6 s GLN 2 N 0.00 3.42 -0.29 0.54 0.74 -1.26 -5.08 119.66 117.74 1fg6 s GLN 2 Ca 0.00 -0.63 -0.09 0.00 0.05 0.00 0.00 55.36 54.69 1fg6 s GLN 2 Cb 0.00 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.81 1fg6 s GLN 2 CO 0.00 -0.27 0.13 0.42 -0.55 0.00 0.00 175.29 175.02 1fg6 s ILE 3 N 1.55 4.58 0.65 -2.34 1.01 -1.26 -5.09 121.20 120.31 1fg6 s ILE 3 Ca 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 1fg6 s ILE 3 Cb -0.16 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1fg6 s ILE 3 CO 0.02 0.17 1.04 0.42 0.00 0.00 0.00 174.94 176.59 1fg6 s THR 4 N 1.63 4.40 -0.28 2.92 -4.23 -1.26 -4.99 115.64 113.83 1fg6 s THR 4 Ca 0.05 0.78 0.11 0.00 -1.18 0.00 0.00 61.69 61.46 1fg6 s THR 4 Cb -0.16 -3.68 0.61 0.00 1.34 0.00 0.00 72.50 70.61 1fg6 s THR 4 CO 0.06 -1.02 1.60 0.18 -0.54 0.00 0.00 174.62 174.90 1fg6 n LEU 5 N -2.91 4.91 0.24 4.79 4.77 -1.26 -4.53 117.00 123.01 1fg6 n LEU 5 Ca 0.07 -3.34 0.09 0.00 -0.03 0.00 0.00 56.01 52.80 1fg6 n LEU 5 Cb 0.54 -0.66 0.59 0.00 -2.33 0.00 0.00 43.42 41.56 1fg6 n LEU 5 CO 0.57 0.90 0.89 -0.50 -1.33 0.00 0.00 177.39 177.93 1fg6 h TRP 6 N 1.84 0.00 -3.73 -1.77 4.06 -2.05 -3.43 115.95 110.86 1fg6 h TRP 6 Ca 0.19 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.82 1fg6 h TRP 6 Cb 1.91 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.92 1fg6 h TRP 6 CO 0.99 0.19 -0.64 -1.59 -3.56 0.00 0.00 178.44 173.83 1fg6 s LYS 7 N -4.17 1.28 0.17 0.49 -2.85 -1.26 -5.11 119.74 108.29 1fg6 s LYS 7 Ca -0.02 -1.66 -0.32 0.00 -1.00 0.00 0.00 55.97 52.96 1fg6 s LYS 7 Cb 0.13 -0.30 -0.12 0.00 -2.06 0.00 0.00 37.83 35.48 1fg6 s LYS 7 CO 0.63 -0.21 1.72 0.54 0.10 0.00 0.00 175.35 178.14 1fg6 n ARG 8 N -0.37 2.62 -2.24 1.78 1.74 -1.26 -4.87 116.66 114.07 1fg6 n ARG 8 Ca -0.03 0.95 -0.33 0.00 -0.77 0.00 0.00 57.85 57.67 1fg6 n ARG 8 Cb 0.65 -2.79 -0.04 0.00 -1.02 0.00 0.00 32.46 29.26 1fg6 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1fg6 s PRO 9 N 1.54 2.97 0.01 5.56 0.04 -1.26 -4.96 135.00 138.91 1fg6 s PRO 9 Ca 0.78 -1.08 -0.10 0.00 0.04 0.00 0.00 61.00 60.65 1fg6 s PRO 9 Cb -0.55 -5.27 -0.05 0.00 0.04 0.00 0.00 34.50 28.67 1fg6 s PRO 9 CO 0.35 -3.20 0.33 -0.51 0.04 0.00 0.00 177.00 174.01 1fg6 s LEU 10 N 8.50 4.39 0.09 -3.56 1.43 -1.26 -1.25 118.68 127.01 1fg6 s LEU 10 Ca 0.63 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 1fg6 s LEU 10 Cb -0.01 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1fg6 s LEU 10 CO 0.05 0.26 -0.07 0.68 0.23 0.00 0.00 176.35 177.50 1fg6 s VAL 11 N -1.25 0.65 -0.19 -1.59 -7.23 0.12 -4.95 120.40 105.97 1fg6 s VAL 11 Ca 0.27 -1.76 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 1fg6 s VAL 11 Cb -0.14 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1fg6 s VAL 11 CO 0.15 -0.78 0.15 -0.89 -0.31 0.00 0.00 175.10 173.42 1fg6 s THR 12 N -3.17 5.40 0.36 5.32 2.01 -1.26 0.53 115.64 124.82 1fg6 s THR 12 Ca 0.07 0.24 0.09 0.00 0.31 0.00 0.00 61.69 62.40 1fg6 s THR 12 Cb 0.02 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 1fg6 s THR 12 CO -0.04 0.44 -0.06 0.27 -0.69 0.00 0.00 174.62 174.53 1fg6 s ILE 13 N 0.35 2.14 -0.18 1.82 -4.36 0.13 -4.34 121.20 116.75 1fg6 s ILE 13 Ca 0.09 -2.15 -0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1fg6 s ILE 13 Cb -0.11 -2.74 0.04 0.00 1.25 0.00 0.00 42.46 40.91 1fg6 s ILE 13 CO -0.01 -0.15 -0.06 -0.75 0.24 0.00 0.00 174.94 174.21 1fg6 s LYS 14 N -3.64 1.53 -0.03 0.37 2.20 -0.88 -0.81 119.74 118.47 1fg6 s LYS 14 Ca 0.33 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 55.32 1fg6 s LYS 14 Cb 0.05 -2.16 0.02 0.00 -1.51 0.00 0.00 37.83 34.22 1fg6 s LYS 14 CO 0.17 -0.46 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.16 1fg6 s ILE 15 N 1.57 0.39 -1.75 5.43 2.07 0.37 -1.94 121.20 127.34 1fg6 s ILE 15 Ca -0.01 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.17 1fg6 s ILE 15 Cb -0.16 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.00 1fg6 s ILE 15 CO -0.08 0.18 0.00 0.61 -1.91 0.00 0.00 174.94 173.74 1fg6 n GLY 16 N 3.91 0.30 2.62 1.50 0.00 -1.26 -0.43 105.19 111.83 1fg6 n GLY 16 Ca -0.24 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1fg6 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fg6 n GLY 17 N -0.90 0.71 3.66 -0.02 0.00 -1.26 -5.01 105.19 102.37 1fg6 n GLY 17 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1fg6 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fg6 s GLN 18 N -0.11 3.05 -0.12 1.61 -0.21 0.43 -5.09 119.66 119.22 1fg6 s GLN 18 Ca 0.00 -0.43 -0.21 0.00 0.02 0.00 0.00 55.36 54.74 1fg6 s GLN 18 Cb 0.00 -2.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 1fg6 s GLN 18 CO 0.00 0.65 0.62 -0.51 -2.12 0.00 0.00 175.29 173.93 1fg6 s LEU 19 N -0.74 4.25 0.03 2.90 1.43 -1.26 -0.48 118.68 124.81 1fg6 s LEU 19 Ca 0.12 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 1fg6 s LEU 19 Cb -0.12 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1fg6 s LEU 19 CO 0.02 -0.13 -0.06 -0.54 0.23 0.00 0.00 176.35 175.88 1fg6 s LYS 20 N 1.09 0.42 0.04 1.70 1.02 0.01 -4.96 119.74 119.05 1fg6 s LYS 20 Ca 0.32 -0.63 -0.20 0.00 0.02 0.00 0.00 55.97 55.47 1fg6 s LYS 20 Cb -0.16 -0.14 -0.06 0.00 -0.52 0.00 0.00 37.83 36.95 1fg6 s LYS 20 CO 0.13 0.02 0.60 -2.00 -0.92 0.00 0.00 175.35 173.18 1fg6 s GLU 21 N -1.36 4.29 0.04 1.68 2.12 -1.26 0.20 118.70 124.41 1fg6 s GLU 21 Ca -0.11 0.77 -0.02 0.00 0.36 0.00 0.00 54.97 55.97 1fg6 s GLU 21 Cb -0.09 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1fg6 s GLU 21 CO -0.00 0.49 0.01 0.00 -0.54 0.00 0.00 175.26 175.22 1fg6 s ALA 22 N -0.63 0.27 -0.23 6.30 0.00 0.19 -4.46 121.76 123.19 1fg6 s ALA 22 Ca 0.31 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1fg6 s ALA 22 Cb -0.19 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 1fg6 s ALA 22 CO 0.19 -0.33 0.14 -1.17 0.00 0.00 0.00 175.76 174.59 1fg6 s LEU 23 N -2.46 4.03 -0.46 0.00 2.96 0.64 0.16 118.68 123.55 1fg6 s LEU 23 Ca -0.00 0.09 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 1fg6 s LEU 23 Cb 0.02 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.66 1fg6 s LEU 23 CO -0.07 0.07 1.33 -0.76 -1.32 0.00 0.00 176.35 175.60 1fg6 s LEU 24 N 0.99 3.57 -0.39 -0.68 1.43 -0.38 -0.49 118.68 122.73 1fg6 s LEU 24 Ca 0.07 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 1fg6 s LEU 24 Cb -0.13 -3.47 0.11 0.00 0.03 0.00 0.00 46.19 42.72 1fg6 s LEU 24 CO 0.04 -1.42 0.13 -0.62 0.23 0.00 0.00 176.35 174.70 1fg6 s ASP 25 N 3.57 4.88 0.37 2.29 -1.08 -0.30 -4.77 116.67 121.62 1fg6 s ASP 25 Ca 0.56 -2.24 0.27 0.00 -0.52 0.00 0.00 52.55 50.63 1fg6 s ASP 25 Cb -0.11 -1.69 1.22 0.00 -1.46 0.00 0.00 42.92 40.87 1fg6 s ASP 25 CO 0.31 -0.41 1.82 0.71 0.52 0.00 0.00 175.17 178.12 1fg6 h THR 26 N 6.38 0.00 -0.41 1.71 1.35 -1.93 -1.84 112.91 118.17 1fg6 h THR 26 Ca -0.07 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1fg6 h THR 26 Cb 1.01 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1fg6 h THR 26 CO 0.59 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1fg6 n GLY 27 N -0.28 1.00 3.29 5.82 0.00 -1.26 -4.83 105.19 108.93 1fg6 n GLY 27 Ca 0.01 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1fg6 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fg6 s ALA 28 N -1.46 2.65 0.13 4.61 0.00 -0.69 -5.00 121.76 122.00 1fg6 s ALA 28 Ca 0.30 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 1fg6 s ALA 28 Cb 0.16 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 1fg6 s ALA 28 CO 0.21 -0.19 1.58 -0.44 0.00 0.00 0.00 175.76 176.93 1fg6 h ASP 29 N 7.61 0.68 -1.73 0.00 3.32 -1.88 0.15 116.42 124.57 1fg6 h ASP 29 Ca -0.37 -0.29 -0.60 0.00 0.02 0.00 0.00 57.03 55.79 1fg6 h ASP 29 Cb 1.17 -0.18 -0.11 0.00 0.22 0.00 0.00 39.33 40.43 1fg6 h ASP 29 CO 0.59 0.80 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.53 1fg6 s ASP 30 N -6.16 4.12 -0.18 6.45 1.01 -1.26 -2.35 116.67 118.30 1fg6 s ASP 30 Ca -0.13 -1.16 -0.16 0.00 0.71 0.00 0.00 52.55 51.81 1fg6 s ASP 30 Cb 0.10 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 1fg6 s ASP 30 CO 0.79 -0.40 0.39 -0.89 0.21 0.00 0.00 175.17 175.27 1fg6 s THR 31 N -2.61 5.22 -0.13 -1.27 2.01 -1.26 -3.11 115.64 114.48 1fg6 s THR 31 Ca 0.37 0.72 0.01 0.00 0.31 0.00 0.00 61.69 63.09 1fg6 s THR 31 Cb 0.05 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1fg6 s THR 31 CO 0.20 0.29 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.58 1fg6 s VAL 32 N 1.03 1.51 0.07 3.82 1.01 -0.09 -1.17 120.40 126.57 1fg6 s VAL 32 Ca 0.20 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.64 1fg6 s VAL 32 Cb -0.14 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1fg6 s VAL 32 CO 0.07 0.45 -0.20 -0.63 0.00 0.00 0.00 175.10 174.79 1fg6 s ILE 33 N 1.25 2.67 0.85 2.22 -1.09 0.10 -0.39 121.20 126.81 1fg6 s ILE 33 Ca -0.01 -1.36 -0.12 0.00 -2.23 0.00 0.00 60.65 56.93 1fg6 s ILE 33 Cb -0.14 -2.15 0.11 0.00 -1.58 0.00 0.00 42.46 38.70 1fg6 s ILE 33 CO -0.06 0.25 1.18 -1.83 -1.23 0.00 0.00 174.94 173.25 1fg6 s GLU 34 N -1.68 1.38 -0.10 2.79 -1.05 -1.26 -1.49 118.70 117.29 1fg6 s GLU 34 Ca 0.15 1.68 -0.40 0.00 -0.15 0.00 0.00 54.97 56.26 1fg6 s GLU 34 Cb -0.10 -1.75 -0.18 0.00 -0.44 0.00 0.00 34.13 31.65 1fg6 s GLU 34 CO 0.06 -2.39 1.37 0.39 0.95 0.00 0.00 175.26 175.64 1fg6 n GLU 35 N -3.67 0.59 -3.63 -4.83 -0.58 -1.08 -4.55 120.64 102.89 1fg6 n GLU 35 Ca 0.13 0.21 -0.07 0.00 -0.42 0.00 0.00 57.16 57.01 1fg6 n GLU 35 Cb 0.51 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 1fg6 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fg6 s MET 36 N 1.28 1.18 -0.04 3.49 0.23 -1.26 -5.02 119.30 119.15 1fg6 s MET 36 Ca 0.92 -0.56 -0.16 0.00 -1.03 0.00 0.00 55.69 54.87 1fg6 s MET 36 Cb -1.17 0.46 -0.05 0.00 -1.53 0.00 0.00 34.83 32.54 1fg6 s MET 36 CO 0.59 -0.53 0.43 0.45 -2.03 0.00 0.00 175.02 173.93 1fg6 s SER 37 N -2.75 6.76 0.03 -1.18 0.15 -1.26 -5.01 113.70 110.43 1fg6 s SER 37 Ca 0.08 0.90 0.04 0.00 0.70 0.00 0.00 55.95 57.66 1fg6 s SER 37 Cb -0.02 -2.26 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 1fg6 s SER 37 CO -0.04 0.21 -0.11 -0.76 1.20 0.00 0.00 173.24 173.74 1fg6 s LEU 38 N -0.46 2.15 0.72 3.45 1.43 -1.26 -4.90 118.68 119.81 1fg6 s LEU 38 Ca 0.24 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 1fg6 s LEU 38 Cb -0.16 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.63 1fg6 s LEU 38 CO 0.12 -0.00 1.07 -2.16 0.23 0.00 0.00 176.35 175.61 1fg6 s PRO 39 N -0.98 2.68 0.20 1.29 0.04 -1.26 -4.95 135.00 132.03 1fg6 s PRO 39 Ca -0.00 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1fg6 s PRO 39 Cb -0.07 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1fg6 s PRO 39 CO 0.01 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.15 1fg6 n GLY 40 N -1.57 -2.60 3.84 0.56 0.00 -1.26 -4.95 105.19 99.21 1fg6 n GLY 40 Ca 0.08 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 1fg6 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fg6 s ARG 41 N -0.73 3.87 0.15 1.61 0.52 -1.26 -5.09 118.95 118.03 1fg6 s ARG 41 Ca 0.00 0.96 -0.02 0.00 -0.52 0.00 0.00 55.73 56.15 1fg6 s ARG 41 Cb 0.00 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 1fg6 s ARG 41 CO 0.00 -0.34 0.11 1.67 0.02 0.00 0.00 175.30 176.76 1fg6 s TRP 42 N -2.65 0.87 -0.00 -0.53 1.48 -1.26 -4.51 118.94 112.34 1fg6 s TRP 42 Ca 0.59 -1.21 0.01 0.00 -1.06 0.00 0.00 56.10 54.44 1fg6 s TRP 42 Cb -0.10 -0.44 -0.00 0.00 -1.16 0.00 0.00 33.47 31.76 1fg6 s TRP 42 CO 0.33 -0.58 -0.04 -1.59 -4.06 0.00 0.00 176.95 171.01 1fg6 s LYS 43 N -4.06 0.36 0.51 3.25 -2.85 -0.81 -4.90 119.74 111.24 1fg6 s LYS 43 Ca 0.27 -0.19 -0.21 0.00 -1.00 0.00 0.00 55.97 54.83 1fg6 s LYS 43 Cb 0.07 -0.33 -0.06 0.00 -2.06 0.00 0.00 37.83 35.45 1fg6 s LYS 43 CO 0.04 0.09 1.20 -1.25 0.10 0.00 0.00 175.35 175.53 1fg6 s PRO 44 N -0.20 3.43 -0.01 1.78 0.04 -1.26 0.10 135.00 138.89 1fg6 s PRO 44 Ca 0.01 1.83 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 1fg6 s PRO 44 Cb -0.02 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1fg6 s PRO 44 CO -0.00 -0.84 0.28 0.21 0.04 0.00 0.00 177.00 176.69 1fg6 s LYS 45 N -2.96 0.64 -0.15 4.56 2.20 -0.28 -4.85 119.74 118.91 1fg6 s LYS 45 Ca 0.69 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 56.06 1fg6 s LYS 45 Cb -0.30 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.29 1fg6 s LYS 45 CO 0.35 -0.18 -0.11 -1.64 -0.36 0.00 0.00 175.35 173.42 1fg6 s MET 46 N -1.37 3.39 0.01 4.03 -1.94 -1.26 -0.29 119.30 121.86 1fg6 s MET 46 Ca -0.14 -0.67 0.07 0.00 -1.71 0.00 0.00 55.69 53.25 1fg6 s MET 46 Cb -0.05 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.04 1fg6 s MET 46 CO 0.04 0.12 -0.22 0.96 -0.01 0.00 0.00 175.02 175.91 1fg6 s ILE 47 N 0.61 1.74 0.32 2.53 -4.36 -0.47 -4.96 121.20 116.61 1fg6 s ILE 47 Ca -0.06 -1.05 0.05 0.00 -0.26 0.00 0.00 60.65 59.32 1fg6 s ILE 47 Cb -0.15 -1.47 -0.06 0.00 1.25 0.00 0.00 42.46 42.02 1fg6 s ILE 47 CO 0.03 0.39 0.02 -0.83 0.24 0.00 0.00 174.94 174.79 1fg6 s GLY 48 N -0.77 2.03 0.00 6.27 0.00 -1.26 -1.14 107.32 112.44 1fg6 s GLY 48 Ca 0.08 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.78 1fg6 s GLY 48 CO 0.00 -1.85 0.00 0.61 0.00 0.00 0.00 173.10 171.86 1fg6 n GLY 49 N -0.68 -0.76 3.71 0.20 0.00 -0.62 -4.98 105.19 102.06 1fg6 n GLY 49 Ca -0.04 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1fg6 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fg6 s ILE 50 N -3.82 2.25 0.00 -0.61 -1.09 -1.26 -1.70 121.20 114.98 1fg6 s ILE 50 Ca 0.00 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1fg6 s ILE 50 Cb 0.00 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 1fg6 s ILE 50 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 1fg6 n GLY 51 N 4.02 1.93 0.00 6.18 0.00 -1.26 -4.95 105.19 111.11 1fg6 n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1fg6 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fg6 n GLY 52 N -2.00 0.23 3.62 -0.02 0.00 -0.69 -5.07 105.19 101.27 1fg6 n GLY 52 Ca 0.00 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 1fg6 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fg6 s PHE 53 N 0.00 2.72 0.03 1.61 0.40 -1.26 -1.59 117.98 119.89 1fg6 s PHE 53 Ca 0.00 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1fg6 s PHE 53 Cb 0.00 -1.29 -0.02 0.00 0.51 0.00 0.00 43.02 42.22 1fg6 s PHE 53 CO 0.00 0.54 -0.08 0.96 0.70 0.00 0.00 175.22 177.34 1fg6 s ILE 54 N -1.87 0.57 -0.13 0.64 -4.36 -0.29 -4.96 121.20 110.79 1fg6 s ILE 54 Ca 0.27 -0.91 -0.17 0.00 -0.26 0.00 0.00 60.65 59.58 1fg6 s ILE 54 Cb -0.08 -0.59 -0.04 0.00 1.25 0.00 0.00 42.46 42.99 1fg6 s ILE 54 CO 0.17 -0.26 0.43 -0.75 0.24 0.00 0.00 174.94 174.78 1fg6 s LYS 55 N -1.27 4.31 0.29 0.37 2.20 -1.26 -1.37 119.74 123.01 1fg6 s LYS 55 Ca -0.07 0.37 0.04 0.00 -0.36 0.00 0.00 55.97 55.95 1fg6 s LYS 55 Cb -0.08 -3.43 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 1fg6 s LYS 55 CO 0.00 0.19 0.03 0.14 -0.36 0.00 0.00 175.35 175.35 1fg6 s VAL 56 N 0.55 1.16 -0.19 4.02 -7.23 0.60 -4.48 120.40 114.83 1fg6 s VAL 56 Ca 0.24 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1fg6 s VAL 56 Cb -0.15 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1fg6 s VAL 56 CO 0.09 -0.12 0.02 -0.13 -0.31 0.00 0.00 175.10 174.65 1fg6 s ARG 57 N -3.87 3.74 -0.26 4.82 0.52 0.59 -1.12 118.95 123.36 1fg6 s ARG 57 Ca 0.34 -0.46 -0.14 0.00 -0.52 0.00 0.00 55.73 54.95 1fg6 s ARG 57 Cb 0.07 -3.11 -0.04 0.00 0.52 0.00 0.00 34.95 32.39 1fg6 s ARG 57 CO 0.13 0.12 0.33 -1.14 0.02 0.00 0.00 175.30 174.76 1fg6 s GLN 58 N 0.74 4.02 -0.11 3.54 0.74 0.12 -0.73 119.66 127.98 1fg6 s GLN 58 Ca 0.01 -0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.40 1fg6 s GLN 58 Cb -0.14 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 1fg6 s GLN 58 CO 0.02 -0.22 -0.14 0.71 -0.55 0.00 0.00 175.29 175.11 1fg6 s TYR 59 N 1.89 2.76 0.28 1.67 1.51 -0.50 -1.93 117.35 123.03 1fg6 s TYR 59 Ca 0.13 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1fg6 s TYR 59 Cb -0.16 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 1fg6 s TYR 59 CO 0.10 -0.13 0.42 -0.51 -1.11 0.00 0.00 175.55 174.32 1fg6 s ASP 60 N 0.08 6.20 -1.41 2.29 1.01 -1.26 -0.87 116.67 122.71 1fg6 s ASP 60 Ca -0.06 0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.22 1fg6 s ASP 60 Cb -0.15 -1.68 0.01 0.00 1.01 0.00 0.00 42.92 42.11 1fg6 s ASP 60 CO 0.05 -0.21 0.51 0.00 0.21 0.00 0.00 175.17 175.73 1fg6 n GLN 61 N -1.53 -3.70 -3.70 8.23 6.02 -1.07 -4.86 117.38 116.78 1fg6 n GLN 61 Ca -0.06 0.45 -0.35 0.00 -0.01 0.00 0.00 57.00 57.03 1fg6 n GLN 61 Cb 0.57 -4.73 -0.08 0.00 1.02 0.00 0.00 30.24 27.02 1fg6 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1fg6 s ILE 62 N -3.84 5.39 -0.07 5.09 -1.09 0.20 -4.74 121.20 122.15 1fg6 s ILE 62 Ca 0.07 0.22 -0.22 0.00 -2.23 0.00 0.00 60.65 58.50 1fg6 s ILE 62 Cb -0.04 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1fg6 s ILE 62 CO 0.87 0.42 0.63 -0.63 -1.23 0.00 0.00 174.94 175.00 1fg6 s ILE 63 N 0.50 5.05 -0.02 2.92 1.01 -1.26 -0.98 121.20 128.43 1fg6 s ILE 63 Ca 0.09 1.29 0.04 0.00 0.00 0.00 0.00 60.65 62.07 1fg6 s ILE 63 Cb -0.12 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 1fg6 s ILE 63 CO -0.00 0.30 -0.14 -0.63 0.00 0.00 0.00 174.94 174.47 1fg6 s ILE 64 N 0.55 1.13 -0.22 2.92 1.01 0.16 -4.59 121.20 122.16 1fg6 s ILE 64 Ca 0.33 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 1fg6 s ILE 64 Cb -0.17 -0.95 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1fg6 s ILE 64 CO 0.16 0.32 0.22 -1.61 0.00 0.00 0.00 174.94 174.03 1fg6 s GLU 65 N -0.24 4.12 -0.14 2.79 2.02 -0.82 -0.46 118.70 125.97 1fg6 s GLU 65 Ca 0.04 -0.14 -0.04 0.00 0.02 0.00 0.00 54.97 54.85 1fg6 s GLU 65 Cb -0.07 -3.52 0.07 0.00 0.10 0.00 0.00 34.13 30.71 1fg6 s GLU 65 CO -0.00 0.08 0.18 -1.50 0.02 0.00 0.00 175.26 174.03 1fg6 s ILE 66 N 1.00 -0.27 -1.30 -1.63 2.07 0.13 -2.07 121.20 119.13 1fg6 s ILE 66 Ca 0.11 0.12 -0.06 0.00 -1.41 0.00 0.00 60.65 59.41 1fg6 s ILE 66 Cb -0.13 -0.47 0.01 0.00 0.13 0.00 0.00 42.46 41.99 1fg6 s ILE 66 CO 0.04 -0.03 1.11 0.00 -1.91 0.00 0.00 174.94 174.15 1fg6 n ALA 67 N 5.32 -1.59 0.00 1.50 0.00 -1.26 -1.84 120.51 122.64 1fg6 n ALA 67 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1fg6 n ALA 67 Cb 0.50 -4.29 0.00 0.00 0.00 0.00 0.00 19.45 15.65 1fg6 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fg6 n GLY 68 N -1.67 3.03 3.82 0.00 0.00 -1.26 -4.99 105.19 104.12 1fg6 n GLY 68 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1fg6 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fg6 s HIS 69 N -1.24 3.53 -0.58 1.61 3.76 -0.77 -5.04 115.29 116.56 1fg6 s HIS 69 Ca 0.00 1.37 -0.00 0.00 -0.15 0.00 0.00 55.06 56.27 1fg6 s HIS 69 Cb 0.00 -2.62 0.15 0.00 1.11 0.00 0.00 32.58 31.21 1fg6 s HIS 69 CO 0.00 0.21 0.37 0.21 -0.85 0.00 0.00 174.74 174.68 1fg6 s LYS 70 N -2.41 2.34 0.35 1.40 2.20 -1.26 0.22 119.74 122.58 1fg6 s LYS 70 Ca 0.49 -2.53 -0.02 0.00 -0.36 0.00 0.00 55.97 53.54 1fg6 s LYS 70 Cb -0.14 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1fg6 s LYS 70 CO 0.19 -1.15 0.58 0.00 -0.36 0.00 0.00 175.35 174.62 1fg6 s ALA 71 N -0.09 3.64 -0.00 3.13 0.00 0.39 -4.89 121.76 123.94 1fg6 s ALA 71 Ca 0.17 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.39 1fg6 s ALA 71 Cb -0.22 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 1fg6 s ALA 71 CO -0.02 0.02 -0.07 -1.50 0.00 0.00 0.00 175.76 174.19 1fg6 s ILE 72 N -2.30 0.51 -2.25 0.00 2.07 -1.26 0.39 121.20 118.36 1fg6 s ILE 72 Ca 0.42 -0.34 0.00 0.00 -1.41 0.00 0.00 60.65 59.32 1fg6 s ILE 72 Cb -0.10 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.05 1fg6 s ILE 72 CO 0.35 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 174.09 1fg6 n GLY 73 N 2.80 -0.73 3.73 1.50 0.00 -0.15 -4.89 105.19 107.45 1fg6 n GLY 73 Ca -0.14 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1fg6 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fg6 s THR 74 N -3.00 4.44 -0.06 2.61 2.01 -1.26 0.59 115.64 120.97 1fg6 s THR 74 Ca 0.00 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.04 1fg6 s THR 74 Cb 0.00 -4.29 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1fg6 s THR 74 CO 0.00 0.31 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.43 1fg6 s VAL 75 N 0.01 1.10 -0.15 3.82 1.01 -0.05 -4.46 120.40 121.68 1fg6 s VAL 75 Ca 0.47 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1fg6 s VAL 75 Cb -0.24 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1fg6 s VAL 75 CO 0.30 0.34 0.10 -0.76 0.00 0.00 0.00 175.10 175.09 1fg6 s LEU 76 N 0.54 4.11 -0.11 3.92 1.43 -0.32 -1.42 118.68 126.83 1fg6 s LEU 76 Ca -0.12 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1fg6 s LEU 76 Cb -0.14 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1fg6 s LEU 76 CO 0.03 0.30 -0.23 -0.69 0.23 0.00 0.00 176.35 175.99 1fg6 s VAL 77 N -0.38 2.08 0.00 -1.59 1.01 0.09 0.01 120.40 121.62 1fg6 s VAL 77 Ca 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1fg6 s VAL 77 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1fg6 s VAL 77 CO 0.01 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1fg6 n GLY 78 N 3.69 0.71 2.17 4.51 0.00 -0.55 -0.30 105.19 115.42 1fg6 n GLY 78 Ca -0.19 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 1fg6 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fg6 n PRO 79 N 0.00 1.40 -2.85 1.61 -0.04 -1.26 -2.62 135.00 131.24 1fg6 n PRO 79 Ca 0.00 -0.71 -0.40 0.00 -0.04 0.00 0.00 63.50 62.35 1fg6 n PRO 79 Cb 0.00 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 1fg6 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1fg6 s THR 80 N 1.66 4.24 -0.18 0.52 -1.32 -1.26 -4.96 115.64 114.35 1fg6 s THR 80 Ca 0.46 1.92 0.29 0.00 -1.21 0.00 0.00 61.69 63.15 1fg6 s THR 80 Cb 0.22 -4.25 0.35 0.00 -1.51 0.00 0.00 72.50 67.31 1fg6 s THR 80 CO -0.00 0.49 1.84 1.55 -2.21 0.00 0.00 174.62 176.29 1fg6 h PRO 81 N 4.39 0.00 -3.73 7.08 0.13 -1.98 -3.43 132.00 134.46 1fg6 h PRO 81 Ca -0.46 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.45 1fg6 h PRO 81 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 1fg6 h PRO 81 CO 0.68 0.00 -0.71 0.08 -0.23 0.00 0.00 178.00 177.81 1fg6 s VAL 82 N -3.47 0.00 -0.12 1.56 1.01 -1.26 -5.11 120.40 113.02 1fg6 s VAL 82 Ca 0.04 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 1fg6 s VAL 82 Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 36.38 36.42 1fg6 s VAL 82 CO 0.55 -0.01 1.18 0.20 0.00 0.00 0.00 175.10 177.01 1fg6 s ASN 83 N -0.04 7.05 -0.13 3.32 0.01 -1.26 -4.78 114.94 119.11 1fg6 s ASN 83 Ca -0.00 1.68 0.01 0.00 -0.71 0.00 0.00 52.86 53.84 1fg6 s ASN 83 Cb -0.00 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.10 1fg6 s ASN 83 CO -0.00 -0.63 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.17 1fg6 s ILE 84 N 2.72 2.82 -0.37 0.60 1.01 0.47 -0.26 121.20 128.20 1fg6 s ILE 84 Ca 0.53 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1fg6 s ILE 84 Cb -0.22 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1fg6 s ILE 84 CO 0.17 0.53 0.25 -0.63 0.00 0.00 0.00 174.94 175.26 1fg6 s ILE 85 N 0.42 5.13 0.33 2.92 -1.09 0.36 -0.91 121.20 128.36 1fg6 s ILE 85 Ca -0.11 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 1fg6 s ILE 85 Cb -0.16 -3.74 0.06 0.00 -1.58 0.00 0.00 42.46 37.04 1fg6 s ILE 85 CO 0.05 -0.13 0.45 0.61 -1.23 0.00 0.00 174.94 174.69 1fg6 n GLY 86 N 5.10 1.04 0.28 6.18 0.00 -1.18 -1.15 105.19 115.46 1fg6 n GLY 86 Ca -0.12 -2.04 0.05 0.00 0.00 0.00 0.00 46.02 43.91 1fg6 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fg6 h ARG 87 N 0.00 0.30 -0.82 1.61 3.08 -0.67 -1.09 114.38 116.79 1fg6 h ARG 87 Ca -0.15 -0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.02 1fg6 h ARG 87 Cb 0.58 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 1fg6 h ARG 87 CO 0.17 0.26 0.54 0.38 -1.07 0.00 0.00 179.97 180.25 1fg6 h ASP 88 N 0.31 0.49 0.00 7.04 2.03 -1.72 -1.69 116.42 122.87 1fg6 h ASP 88 Ca 0.08 0.03 -0.34 0.00 -0.73 0.00 0.00 57.03 56.07 1fg6 h ASP 88 Cb 0.07 -0.06 -0.06 0.00 -0.83 0.00 0.00 39.33 38.44 1fg6 h ASP 88 CO -0.01 0.24 -2.27 0.18 -1.03 0.00 0.00 179.24 176.36 1fg6 n LEU 89 N -4.51 0.15 0.04 0.15 7.99 -0.99 -4.39 117.00 115.43 1fg6 n LEU 89 Ca 0.16 -0.01 0.03 0.00 -0.01 0.00 0.00 56.01 56.19 1fg6 n LEU 89 Cb 0.53 0.39 0.42 0.00 -0.11 0.00 0.00 43.42 44.65 1fg6 n LEU 89 CO 0.31 0.48 1.08 -0.07 -1.51 0.00 0.00 177.39 177.68 1fg6 h LEU 90 N 0.00 0.40 -0.74 2.23 3.38 -0.90 -2.15 115.31 117.53 1fg6 h LEU 90 Ca -0.50 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.39 1fg6 h LEU 90 Cb 2.12 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.74 1fg6 h LEU 90 CO 0.02 0.35 0.26 0.71 0.09 0.00 0.00 178.44 179.87 1fg6 h THR 91 N 0.45 1.26 -0.06 0.22 1.35 -1.53 -1.26 112.91 113.34 1fg6 h THR 91 Ca 0.12 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 65.09 1fg6 h THR 91 Cb 0.06 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 1fg6 h THR 91 CO -0.02 0.34 -0.04 1.56 -0.25 0.00 0.00 175.52 177.12 1fg6 h GLN 92 N 1.08 0.08 -0.40 4.72 1.08 -1.59 -0.71 115.11 119.37 1fg6 h GLN 92 Ca 0.24 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1fg6 h GLN 92 Cb 0.27 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1fg6 h GLN 92 CO -0.01 0.13 0.00 0.44 -0.95 0.00 0.00 178.83 178.44 1fg6 n ILE 93 N -4.44 0.52 -2.38 2.54 -5.35 -1.10 -4.95 119.36 104.21 1fg6 n ILE 93 Ca -0.02 -0.66 -0.10 0.00 -0.27 0.00 0.00 62.75 61.70 1fg6 n ILE 93 Cb 0.15 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 1fg6 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fg6 n GLY 94 N 1.39 0.02 3.73 3.28 0.00 -0.27 -5.00 105.19 108.34 1fg6 n GLY 94 Ca 0.19 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1fg6 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fg6 s ALA 95 N -2.64 3.36 0.07 4.61 0.00 -0.50 -5.03 121.76 121.63 1fg6 s ALA 95 Ca 0.06 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.84 1fg6 s ALA 95 Cb -0.03 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1fg6 s ALA 95 CO 0.08 -0.24 -0.06 0.95 0.00 0.00 0.00 175.76 176.49 1fg6 s THR 96 N -0.04 0.50 -0.13 0.00 -4.23 -1.26 -4.72 115.64 105.76 1fg6 s THR 96 Ca 0.51 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 59.31 1fg6 s THR 96 Cb -0.29 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.28 1fg6 s THR 96 CO 0.34 -0.73 0.27 -0.76 -0.54 0.00 0.00 174.62 173.19 1fg6 s LEU 97 N -2.47 4.31 -0.02 4.79 1.43 -1.26 -5.08 118.68 120.38 1fg6 s LEU 97 Ca 0.02 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 1fg6 s LEU 97 Cb 0.00 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.91 1fg6 s LEU 97 CO -0.04 0.21 -0.05 0.20 0.23 0.00 0.00 176.35 176.90 1fg6 s ASN 98 N -0.13 0.79 0.00 2.29 0.01 -1.26 -5.29 114.94 111.34 1fg6 s ASN 98 Ca 0.17 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1fg6 s ASN 98 Cb -0.13 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.32 1fg6 s ASN 98 CO 0.05 0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.89