#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fgu s GLN 2 N 0.00 3.45 -0.13 0.54 0.74 -1.26 -5.11 119.66 117.89 2fgu s GLN 2 Ca 0.00 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 54.81 2fgu s GLN 2 Cb 0.00 -2.89 0.01 0.00 1.10 0.00 0.00 33.01 31.23 2fgu s GLN 2 CO 0.00 0.01 -0.20 0.42 -0.55 0.00 0.00 175.29 174.97 2fgu s ILE 3 N 0.93 1.90 0.72 -2.34 1.01 -1.26 -5.12 121.20 117.04 2fgu s ILE 3 Ca -0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 2fgu s ILE 3 Cb -0.15 -1.70 0.11 0.00 0.01 0.00 0.00 42.46 40.74 2fgu s ILE 3 CO 0.01 0.52 1.00 0.42 0.00 0.00 0.00 174.94 176.89 2fgu s THR 4 N 0.91 2.22 -0.09 2.92 -4.23 -1.26 -5.05 115.64 111.06 2fgu s THR 4 Ca -0.06 -0.49 0.13 0.00 -1.18 0.00 0.00 61.69 60.09 2fgu s THR 4 Cb -0.15 -2.73 0.19 0.00 1.34 0.00 0.00 72.50 71.15 2fgu s THR 4 CO -0.03 0.00 1.09 0.18 -0.54 0.00 0.00 174.62 175.32 2fgu n LEU 5 N -2.89 1.64 0.23 4.79 4.77 -1.26 -4.58 117.00 119.70 2fgu n LEU 5 Ca 0.13 -2.41 0.06 0.00 -0.03 0.00 0.00 56.01 53.75 2fgu n LEU 5 Cb 0.60 -0.29 0.52 0.00 -2.33 0.00 0.00 43.42 41.93 2fgu n LEU 5 CO 0.45 0.56 0.92 -0.50 -1.33 0.00 0.00 177.39 177.49 2fgu h TRP 6 N 0.00 0.00 -2.44 -1.77 4.06 -2.07 -3.42 115.95 110.31 2fgu h TRP 6 Ca 0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.40 2fgu h TRP 6 Cb 1.09 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.11 2fgu h TRP 6 CO 0.03 0.16 -0.73 0.15 -3.56 0.00 0.00 178.44 174.49 2fgu s LYS 7 N -4.69 1.57 0.08 0.49 3.01 -1.26 -5.11 119.74 113.84 2fgu s LYS 7 Ca -0.04 -1.74 -0.36 0.00 -1.01 0.00 0.00 55.97 52.82 2fgu s LYS 7 Cb 0.16 -1.48 -0.15 0.00 -1.01 0.00 0.00 37.83 35.35 2fgu s LYS 7 CO 0.69 0.22 1.47 0.54 0.51 0.00 0.00 175.35 178.78 2fgu n ARG 8 N -0.56 1.55 -1.44 1.68 1.74 -1.26 -4.85 116.66 113.51 2fgu n ARG 8 Ca -0.06 0.56 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 2fgu n ARG 8 Cb 0.61 -2.26 -0.04 0.00 -1.02 0.00 0.00 32.46 29.76 2fgu n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2fgu n PRO 9 N 3.18 2.03 -3.37 5.56 -0.04 -1.26 -4.91 135.00 136.19 2fgu n PRO 9 Ca 0.19 -2.18 -0.38 0.00 -0.04 0.00 0.00 63.50 61.09 2fgu n PRO 9 Cb 0.23 -3.10 -0.06 0.00 -0.04 0.00 0.00 33.50 30.52 2fgu n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fgu s LEU 10 N 2.05 4.25 0.27 1.53 1.43 -1.26 -1.01 118.68 125.95 2fgu s LEU 10 Ca 0.54 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 2fgu s LEU 10 Cb 0.13 -2.60 -0.06 0.00 0.03 0.00 0.00 46.19 43.70 2fgu s LEU 10 CO 0.04 0.01 0.05 0.68 0.23 0.00 0.00 176.35 177.37 2fgu s VAL 11 N 0.68 0.94 0.02 -1.59 -7.23 0.31 -4.92 120.40 108.60 2fgu s VAL 11 Ca 0.23 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.18 2fgu s VAL 11 Cb -0.15 -2.61 -0.06 0.00 0.56 0.00 0.00 36.38 34.13 2fgu s VAL 11 CO 0.08 -0.10 0.61 -0.89 -0.31 0.00 0.00 175.10 174.50 2fgu s THR 12 N -3.48 4.85 0.28 5.32 2.01 -1.26 -0.31 115.64 123.05 2fgu s THR 12 Ca 0.34 1.29 0.09 0.00 0.31 0.00 0.00 61.69 63.72 2fgu s THR 12 Cb 0.08 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 2fgu s THR 12 CO 0.13 0.43 -0.11 0.27 -0.69 0.00 0.00 174.62 174.65 2fgu s ILE 13 N -0.33 2.00 -0.11 1.82 -4.36 0.74 -3.10 121.20 117.86 2fgu s ILE 13 Ca 0.32 -2.22 0.03 0.00 -0.26 0.00 0.00 60.65 58.51 2fgu s ILE 13 Cb -0.19 -2.40 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 2fgu s ILE 13 CO 0.18 -0.35 -0.20 -0.13 0.24 0.00 0.00 174.94 174.69 2fgu s ARG 14 N -3.63 3.17 -0.14 0.37 3.00 -0.42 -1.02 118.95 120.27 2fgu s ARG 14 Ca 0.29 -0.81 -0.07 0.00 0.00 0.00 0.00 55.73 55.14 2fgu s ARG 14 Cb 0.01 -2.42 0.06 0.00 0.00 0.00 0.00 34.95 32.59 2fgu s ARG 14 CO 0.13 0.19 0.33 -1.50 0.00 0.00 0.00 175.30 174.45 2fgu s ILE 15 N 0.34 -0.12 -1.71 1.52 2.07 -0.04 -1.25 121.20 122.02 2fgu s ILE 15 Ca -0.16 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.22 2fgu s ILE 15 Cb -0.17 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 41.91 2fgu s ILE 15 CO 0.08 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 2fgu n GLY 16 N 4.45 0.41 2.47 1.50 0.00 -1.26 -1.44 105.19 111.32 2fgu n GLY 16 Ca -0.21 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2fgu n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fgu n GLY 17 N -0.91 1.22 3.62 -0.02 0.00 -1.26 -5.04 105.19 102.79 2fgu n GLY 17 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2fgu n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fgu s GLN 18 N -0.18 2.60 0.15 1.61 -2.07 -0.52 -5.11 119.66 116.15 2fgu s GLN 18 Ca 0.00 -0.70 -0.23 0.00 -1.82 0.00 0.00 55.36 52.61 2fgu s GLN 18 Cb 0.00 -2.54 -0.08 0.00 -1.09 0.00 0.00 33.01 29.30 2fgu s GLN 18 CO 0.00 0.61 0.72 -0.51 -1.32 0.00 0.00 175.29 174.78 2fgu s LEU 19 N -1.47 4.55 0.05 2.60 1.43 -1.26 -0.86 118.68 123.72 2fgu s LEU 19 Ca 0.18 1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 54.76 2fgu s LEU 19 Cb -0.11 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 2fgu s LEU 19 CO 0.08 0.21 0.06 -0.54 0.23 0.00 0.00 176.35 176.39 2fgu s LYS 20 N -1.24 0.60 -0.02 1.70 1.02 -0.19 -4.98 119.74 116.63 2fgu s LYS 20 Ca 0.35 -0.90 -0.18 0.00 0.02 0.00 0.00 55.97 55.25 2fgu s LYS 20 Cb -0.21 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 2fgu s LYS 20 CO 0.24 -0.14 0.52 -1.83 -0.92 0.00 0.00 175.35 173.21 2fgu s GLU 21 N -3.05 4.22 0.05 1.68 4.04 -1.26 -0.18 118.70 124.20 2fgu s GLU 21 Ca -0.01 0.59 -0.03 0.00 0.04 0.00 0.00 54.97 55.55 2fgu s GLU 21 Cb 0.01 -3.33 -0.03 0.00 0.02 0.00 0.00 34.13 30.81 2fgu s GLU 21 CO -0.07 0.41 0.03 0.00 -1.84 0.00 0.00 175.26 173.80 2fgu s ALA 22 N -0.27 0.22 -0.19 -0.84 0.00 0.57 -4.40 121.76 116.86 2fgu s ALA 22 Ca 0.28 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 2fgu s ALA 22 Cb -0.17 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 2fgu s ALA 22 CO 0.15 -0.36 0.15 -1.17 0.00 0.00 0.00 175.76 174.53 2fgu s LEU 23 N -2.58 4.23 -0.54 0.00 2.96 0.10 -0.53 118.68 122.33 2fgu s LEU 23 Ca 0.02 0.29 -0.27 0.00 -0.22 0.00 0.00 54.13 53.95 2fgu s LEU 23 Cb 0.04 -2.13 0.03 0.00 0.50 0.00 0.00 46.19 44.63 2fgu s LEU 23 CO -0.08 0.19 1.09 -0.76 -1.32 0.00 0.00 176.35 175.46 2fgu s LEU 24 N 0.26 3.71 -0.37 -0.68 1.43 -0.18 -0.61 118.68 122.24 2fgu s LEU 24 Ca 0.10 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2fgu s LEU 24 Cb -0.11 -3.17 0.11 0.00 0.03 0.00 0.00 46.19 43.05 2fgu s LEU 24 CO -0.01 -1.32 0.12 -0.62 0.23 0.00 0.00 176.35 174.75 2fgu s ASP 25 N 2.73 4.39 0.52 2.29 2.15 -0.45 -4.80 116.67 123.50 2fgu s ASP 25 Ca 0.40 -2.23 0.29 0.00 0.43 0.00 0.00 52.55 51.45 2fgu s ASP 25 Cb -0.09 -1.38 1.35 0.00 -0.30 0.00 0.00 42.92 42.50 2fgu s ASP 25 CO 0.25 -0.35 2.00 0.71 -0.17 0.00 0.00 175.17 177.61 2fgu h THR 26 N 6.25 0.40 0.00 1.71 1.35 -1.94 -2.50 112.91 118.17 2fgu h THR 26 Ca -0.07 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2fgu h THR 26 Cb 0.99 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 2fgu h THR 26 CO 0.53 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 2fgu n GLY 27 N -0.30 -1.47 3.66 5.82 0.00 -1.26 -4.79 105.19 106.86 2fgu n GLY 27 Ca -0.01 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2fgu n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fgu s ALA 28 N -3.23 3.61 0.19 4.61 0.00 -0.94 -4.96 121.76 121.04 2fgu s ALA 28 Ca 0.07 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 2fgu s ALA 28 Cb 0.11 -2.34 0.09 0.00 0.00 0.00 0.00 23.12 20.97 2fgu s ALA 28 CO 0.48 -0.18 1.68 -0.44 0.00 0.00 0.00 175.76 177.30 2fgu h ASP 29 N 7.47 1.03 -1.79 0.00 3.32 -1.87 0.96 116.42 125.54 2fgu h ASP 29 Ca -0.38 -0.26 -0.56 0.00 0.02 0.00 0.00 57.03 55.85 2fgu h ASP 29 Cb 1.17 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 40.36 2fgu h ASP 29 CO 0.66 1.03 -0.53 -1.81 -1.72 0.00 0.00 179.24 176.87 2fgu s ASP 30 N -6.45 4.52 -0.24 6.45 1.01 -1.26 -2.52 116.67 118.18 2fgu s ASP 30 Ca -0.12 -0.91 -0.09 0.00 0.71 0.00 0.00 52.55 52.14 2fgu s ASP 30 Cb 0.14 -0.61 -0.04 0.00 1.01 0.00 0.00 42.92 43.41 2fgu s ASP 30 CO 0.84 -0.37 0.13 -0.89 0.21 0.00 0.00 175.17 175.09 2fgu s THR 31 N -2.50 5.06 -0.14 -1.27 2.01 -1.26 -3.21 115.64 114.34 2fgu s THR 31 Ca 0.38 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 2fgu s THR 31 Cb -0.00 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.17 2fgu s THR 31 CO 0.22 0.34 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.70 2fgu s VAL 32 N 1.20 1.29 0.04 3.82 1.01 -0.14 -0.85 120.40 126.76 2fgu s VAL 32 Ca 0.06 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2fgu s VAL 32 Cb -0.14 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2fgu s VAL 32 CO 0.05 0.37 0.04 -0.76 0.00 0.00 0.00 175.10 174.80 2fgu s LEU 33 N 1.60 3.65 0.90 3.92 1.43 0.21 -0.20 118.68 130.18 2fgu s LEU 33 Ca 0.04 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 2fgu s LEU 33 Cb -0.13 -2.23 0.05 0.00 0.03 0.00 0.00 46.19 43.91 2fgu s LEU 33 CO -0.09 0.23 0.61 -0.62 0.23 0.00 0.00 176.35 176.70 2fgu n GLU 34 N 0.92 -0.19 -1.86 1.70 1.02 -1.26 -1.35 120.64 119.62 2fgu n GLU 34 Ca -0.12 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.60 2fgu n GLU 34 Cb 0.52 -1.98 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 2fgu n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2fgu s GLU 35 N -3.70 4.18 0.14 3.49 2.02 -1.16 -4.52 118.70 119.15 2fgu s GLU 35 Ca 0.61 2.46 -0.25 0.00 0.02 0.00 0.00 54.97 57.81 2fgu s GLU 35 Cb -0.24 -3.09 0.07 0.00 0.10 0.00 0.00 34.13 30.97 2fgu s GLU 35 CO 0.63 -0.60 0.96 0.00 0.02 0.00 0.00 175.26 176.27 2fgu s MET 36 N 0.37 1.15 -0.02 1.61 0.23 -1.26 -5.02 119.30 116.36 2fgu s MET 36 Ca 0.67 -0.62 -0.14 0.00 -1.03 0.00 0.00 55.69 54.57 2fgu s MET 36 Cb -0.46 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 33.19 2fgu s MET 36 CO 0.39 -0.53 0.37 -0.80 -2.03 0.00 0.00 175.02 172.42 2fgu s ASN 37 N -2.90 6.75 0.07 -1.18 0.02 -1.26 -5.03 114.94 111.40 2fgu s ASN 37 Ca 0.12 0.89 0.03 0.00 -1.02 0.00 0.00 52.86 52.87 2fgu s ASN 37 Cb -0.01 -2.23 -0.03 0.00 0.02 0.00 0.00 41.25 39.00 2fgu s ASN 37 CO 0.01 0.33 -0.09 -0.76 0.02 0.00 0.00 177.10 176.61 2fgu s LEU 38 N -1.02 2.36 0.46 0.60 1.43 -1.26 -5.02 118.68 116.22 2fgu s LEU 38 Ca 0.22 -0.73 -0.21 0.00 -1.03 0.00 0.00 54.13 52.38 2fgu s LEU 38 Cb -0.16 -0.22 -0.09 0.00 0.03 0.00 0.00 46.19 45.75 2fgu s LEU 38 CO 0.12 -0.26 1.03 -2.84 0.23 0.00 0.00 176.35 174.63 2fgu s PRO 39 N -2.42 3.94 0.00 1.29 0.02 -1.26 -4.94 135.00 131.63 2fgu s PRO 39 Ca -0.00 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.40 2fgu s PRO 39 Cb -0.05 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.24 2fgu s PRO 39 CO -0.01 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 2fgu n GLY 40 N -0.11 -3.68 3.78 0.52 0.00 -1.26 -4.98 105.19 99.46 2fgu n GLY 40 Ca 0.08 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.60 2fgu n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fgu s LYS 41 N -0.90 4.29 0.24 1.61 0.00 -1.26 -5.07 119.74 118.65 2fgu s LYS 41 Ca 0.00 1.48 0.05 0.00 0.00 0.00 0.00 55.97 57.51 2fgu s LYS 41 Cb 0.00 -2.63 -0.05 0.00 0.00 0.00 0.00 37.83 35.14 2fgu s LYS 41 CO 0.00 -0.02 -0.05 1.67 0.00 0.00 0.00 175.35 176.95 2fgu s TRP 42 N -1.63 1.72 0.00 1.78 1.48 -1.26 -4.59 118.94 116.45 2fgu s TRP 42 Ca 0.55 -0.79 0.05 0.00 -1.06 0.00 0.00 56.10 54.86 2fgu s TRP 42 Cb -0.22 -0.97 -0.02 0.00 -1.16 0.00 0.00 33.47 31.11 2fgu s TRP 42 CO 0.27 0.14 -0.16 0.15 -4.06 0.00 0.00 176.95 173.29 2fgu s LYS 43 N -3.78 1.22 0.36 3.25 -0.14 -0.62 -4.89 119.74 115.13 2fgu s LYS 43 Ca 0.27 -0.64 -0.28 0.00 -1.36 0.00 0.00 55.97 53.96 2fgu s LYS 43 Cb 0.04 -1.20 -0.10 0.00 -1.68 0.00 0.00 37.83 34.88 2fgu s LYS 43 CO 0.09 0.32 1.37 -2.14 -0.76 0.00 0.00 175.35 174.23 2fgu s PRO 44 N -0.62 4.22 0.17 -1.68 0.02 -1.26 -0.85 135.00 135.00 2fgu s PRO 44 Ca 0.05 2.33 -0.09 0.00 0.02 0.00 0.00 61.00 63.31 2fgu s PRO 44 Cb -0.07 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.45 2fgu s PRO 44 CO 0.00 -0.34 0.30 0.15 -0.33 0.00 0.00 177.00 176.78 2fgu s LYS 45 N -1.95 1.19 0.04 5.54 1.02 -0.63 -4.87 119.74 120.08 2fgu s LYS 45 Ca 0.51 -1.18 0.06 0.00 0.02 0.00 0.00 55.97 55.38 2fgu s LYS 45 Cb -0.42 0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 37.25 2fgu s LYS 45 CO 0.56 -0.44 -0.18 -1.64 -0.92 0.00 0.00 175.35 172.73 2fgu s MET 46 N -3.97 1.22 0.05 1.68 -1.94 -1.26 -0.77 119.30 114.30 2fgu s MET 46 Ca 0.18 -0.86 -0.02 0.00 -1.71 0.00 0.00 55.69 53.28 2fgu s MET 46 Cb 0.03 -1.29 -0.03 0.00 2.01 0.00 0.00 34.83 35.55 2fgu s MET 46 CO 0.01 0.33 0.01 0.96 -0.01 0.00 0.00 175.02 176.32 2fgu s ILE 47 N -0.79 0.18 0.04 2.53 -4.36 -0.72 -4.98 121.20 113.09 2fgu s ILE 47 Ca 0.05 -1.45 0.09 0.00 -0.26 0.00 0.00 60.65 59.08 2fgu s ILE 47 Cb -0.08 -1.15 -0.03 0.00 1.25 0.00 0.00 42.46 42.44 2fgu s ILE 47 CO 0.01 -0.80 -0.24 -0.83 0.24 0.00 0.00 174.94 173.33 2fgu s GLY 48 N -2.49 1.46 0.00 6.27 0.00 -1.26 -1.11 107.32 110.19 2fgu s GLY 48 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2fgu s GLY 48 CO -0.07 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 172.51 2fgu n GLY 49 N 1.71 5.59 0.20 0.20 0.00 0.10 -4.97 105.19 108.01 2fgu n GLY 49 Ca -0.17 -1.53 0.01 0.00 0.00 0.00 0.00 46.02 44.34 2fgu n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2fgu h ILE 50 N 0.03 1.26 -0.02 -0.61 2.10 -2.03 -2.71 117.51 115.53 2fgu h ILE 50 Ca 0.00 -1.23 0.00 0.00 1.08 0.00 0.00 64.86 64.71 2fgu h ILE 50 Cb 0.00 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 2fgu h ILE 50 CO 0.00 0.36 -0.10 0.61 -1.08 0.00 0.00 178.15 177.94 2fgu n GLY 51 N -0.48 0.24 0.00 8.18 0.00 -1.26 -5.07 105.19 106.80 2fgu n GLY 51 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2fgu n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fgu n GLY 52 N 1.29 0.62 3.87 -0.02 0.00 -1.02 -5.10 105.19 104.82 2fgu n GLY 52 Ca 0.15 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 2fgu n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fgu s PHE 53 N -0.74 3.37 0.12 1.61 0.40 -1.26 -0.72 117.98 120.75 2fgu s PHE 53 Ca 0.00 0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.50 2fgu s PHE 53 Cb 0.00 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 2fgu s PHE 53 CO 0.00 0.55 -0.09 0.96 0.70 0.00 0.00 175.22 177.33 2fgu s ILE 54 N -1.56 1.00 -0.03 0.64 -4.36 -0.26 -4.99 121.20 111.65 2fgu s ILE 54 Ca 0.33 -1.89 -0.20 0.00 -0.26 0.00 0.00 60.65 58.62 2fgu s ILE 54 Cb -0.12 -1.65 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 2fgu s ILE 54 CO 0.26 -0.71 0.57 -0.54 0.24 0.00 0.00 174.94 174.76 2fgu s LYS 55 N -3.44 4.30 0.18 0.37 1.02 -1.26 -1.76 119.74 119.15 2fgu s LYS 55 Ca 0.12 0.68 0.03 0.00 0.02 0.00 0.00 55.97 56.82 2fgu s LYS 55 Cb 0.01 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 2fgu s LYS 55 CO -0.01 0.34 -0.02 0.14 -0.92 0.00 0.00 175.35 174.88 2fgu s VAL 56 N -0.05 0.84 -0.23 3.17 -7.23 0.05 -4.50 120.40 112.43 2fgu s VAL 56 Ca 0.30 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 2fgu s VAL 56 Cb -0.18 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 2fgu s VAL 56 CO 0.16 -0.52 0.16 0.00 -0.31 0.00 0.00 175.10 174.60 2fgu s ARG 57 N -3.87 4.09 -0.26 4.82 3.03 0.94 -1.61 118.95 126.10 2fgu s ARG 57 Ca 0.23 -0.25 -0.12 0.00 2.03 0.00 0.00 55.73 57.63 2fgu s ARG 57 Cb 0.05 -3.52 -0.05 0.00 -1.03 0.00 0.00 34.95 30.41 2fgu s ARG 57 CO 0.04 0.10 0.22 -1.14 -1.13 0.00 0.00 175.30 173.38 2fgu s GLN 58 N 0.95 4.00 -0.17 3.89 0.74 -0.03 -0.77 119.66 128.27 2fgu s GLN 58 Ca 0.08 -0.23 -0.02 0.00 0.05 0.00 0.00 55.36 55.24 2fgu s GLN 58 Cb -0.13 -3.62 -0.01 0.00 1.10 0.00 0.00 33.01 30.34 2fgu s GLN 58 CO 0.04 -0.13 -0.09 0.71 -0.55 0.00 0.00 175.29 175.27 2fgu s TYR 59 N 1.60 2.90 0.25 1.67 1.51 -0.48 -1.59 117.35 123.21 2fgu s TYR 59 Ca 0.09 -0.73 -0.00 0.00 -1.01 0.00 0.00 57.07 55.41 2fgu s TYR 59 Cb -0.15 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 2fgu s TYR 59 CO 0.09 -0.33 0.44 -0.51 -1.11 0.00 0.00 175.55 174.13 2fgu s ASP 60 N 0.80 6.37 -1.41 2.29 1.01 -1.26 -1.17 116.67 123.28 2fgu s ASP 60 Ca -0.03 0.42 -0.07 0.00 0.71 0.00 0.00 52.55 53.57 2fgu s ASP 60 Cb -0.15 -2.02 0.04 0.00 1.01 0.00 0.00 42.92 41.81 2fgu s ASP 60 CO 0.01 -0.12 0.88 1.67 0.21 0.00 0.00 175.17 177.82 2fgu n GLN 61 N -1.02 -5.49 -3.35 8.23 7.27 -1.17 -4.89 117.38 116.96 2fgu n GLN 61 Ca -0.05 0.63 -0.39 0.00 0.07 0.00 0.00 57.00 57.27 2fgu n GLN 61 Cb 0.55 -5.40 -0.08 0.00 2.41 0.00 0.00 30.24 27.72 2fgu n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2fgu s ILE 62 N -3.47 5.16 0.20 1.69 -1.09 0.03 -4.69 121.20 119.03 2fgu s ILE 62 Ca 0.35 0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 59.19 2fgu s ILE 62 Cb -0.17 -3.75 -0.09 0.00 -1.58 0.00 0.00 42.46 36.87 2fgu s ILE 62 CO 0.81 0.19 1.31 -2.84 -1.23 0.00 0.00 174.94 173.18 2fgu s PRO 63 N 1.72 4.39 -0.05 2.79 0.02 -1.26 -1.19 135.00 141.41 2fgu s PRO 63 Ca 0.19 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.27 2fgu s PRO 63 Cb -0.15 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.20 2fgu s PRO 63 CO 0.09 -0.26 -0.03 0.08 -0.33 0.00 0.00 177.00 176.55 2fgu s VAL 64 N 0.09 0.49 -0.22 3.83 1.01 -0.20 -4.45 120.40 120.96 2fgu s VAL 64 Ca 0.57 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 2fgu s VAL 64 Cb -0.37 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 2fgu s VAL 64 CO 0.38 0.23 0.14 -0.70 0.00 0.00 0.00 175.10 175.15 2fgu s GLU 65 N 1.12 4.12 -0.23 2.72 2.12 -0.38 -1.28 118.70 126.88 2fgu s GLU 65 Ca -0.08 -0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.01 2fgu s GLU 65 Cb -0.14 -3.46 0.05 0.00 0.26 0.00 0.00 34.13 30.85 2fgu s GLU 65 CO -0.01 0.19 -0.09 0.42 -0.54 0.00 0.00 175.26 175.23 2fgu s ILE 66 N 0.68 1.75 -1.66 -3.70 1.01 0.98 -1.30 121.20 118.96 2fgu s ILE 66 Ca 0.07 -1.28 -0.10 0.00 0.00 0.00 0.00 60.65 59.35 2fgu s ILE 66 Cb -0.12 -1.91 0.10 0.00 0.01 0.00 0.00 42.46 40.53 2fgu s ILE 66 CO 0.01 0.00 0.35 0.00 0.00 0.00 0.00 174.94 175.30 2fgu n GLY 68 N -1.87 1.88 3.82 0.00 0.00 -1.26 -5.01 105.19 102.74 2fgu n GLY 68 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 2fgu n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2fgu s HIS 69 N -3.05 3.72 -0.09 1.61 4.02 0.65 -5.07 115.29 117.07 2fgu s HIS 69 Ca 0.00 1.01 -0.16 0.00 1.02 0.00 0.00 55.06 56.92 2fgu s HIS 69 Cb 0.00 -2.33 -0.05 0.00 -1.02 0.00 0.00 32.58 29.18 2fgu s HIS 69 CO 0.00 0.59 0.42 -1.59 1.02 0.00 0.00 174.74 175.19 2fgu s LYS 70 N -0.92 4.21 0.14 1.40 0.00 -1.26 -0.01 119.74 123.30 2fgu s LYS 70 Ca 0.24 0.37 0.06 0.00 0.00 0.00 0.00 55.97 56.64 2fgu s LYS 70 Cb -0.17 -3.38 -0.04 0.00 0.00 0.00 0.00 37.83 34.25 2fgu s LYS 70 CO 0.14 0.32 -0.13 0.00 0.00 0.00 0.00 175.35 175.68 2fgu s ALA 71 N 0.13 1.52 -0.14 0.59 0.00 -0.40 -4.62 121.76 118.83 2fgu s ALA 71 Ca 0.23 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.77 2fgu s ALA 71 Cb -0.15 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 22.99 2fgu s ALA 71 CO 0.10 0.04 0.13 0.42 0.00 0.00 0.00 175.76 176.45 2fgu s ILE 72 N -2.57 -0.18 0.00 0.00 1.01 -1.26 -1.03 121.20 117.17 2fgu s ILE 72 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2fgu s ILE 72 Cb -0.02 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.96 2fgu s ILE 72 CO 0.03 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.46 2fgu n GLY 73 N 5.30 2.12 3.71 6.18 0.00 -0.33 -4.76 105.19 117.41 2fgu n GLY 73 Ca -0.06 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2fgu n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fgu s THR 74 N -2.63 4.64 -0.10 2.61 2.01 -1.26 -0.79 115.64 120.11 2fgu s THR 74 Ca 0.00 1.89 0.02 0.00 0.31 0.00 0.00 61.69 63.92 2fgu s THR 74 Cb 0.00 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2fgu s THR 74 CO 0.00 0.14 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.22 2fgu s VAL 75 N 1.06 1.55 -0.16 3.82 1.01 -0.32 -4.45 120.40 122.90 2fgu s VAL 75 Ca 0.54 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2fgu s VAL 75 Cb -0.23 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2fgu s VAL 75 CO 0.28 0.45 0.11 -0.76 0.00 0.00 0.00 175.10 175.18 2fgu s LEU 76 N 0.80 4.13 -0.13 3.92 1.43 -0.03 -1.38 118.68 127.43 2fgu s LEU 76 Ca -0.10 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2fgu s LEU 76 Cb -0.16 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.03 2fgu s LEU 76 CO 0.01 0.27 -0.20 -0.69 0.23 0.00 0.00 176.35 175.97 2fgu s VAL 77 N -0.17 2.30 0.02 -1.59 1.01 0.05 0.65 120.40 122.67 2fgu s VAL 77 Ca 0.09 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 2fgu s VAL 77 Cb -0.12 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.37 2fgu s VAL 77 CO 0.01 0.54 0.45 0.61 0.00 0.00 0.00 175.10 176.71 2fgu n GLY 78 N 3.88 0.70 3.58 4.51 0.00 -0.46 -0.04 105.19 117.37 2fgu n GLY 78 Ca -0.19 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 2fgu n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2fgu s PRO 79 N -2.01 3.10 -0.01 1.61 0.04 -1.26 -2.97 135.00 133.50 2fgu s PRO 79 Ca 0.10 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.25 2fgu s PRO 79 Cb -0.01 -4.26 0.01 0.00 0.04 0.00 0.00 34.50 30.29 2fgu s PRO 79 CO 0.01 -2.14 0.22 0.45 0.04 0.00 0.00 177.00 175.58 2fgu s SER 80 N 6.85 -0.09 0.14 6.66 0.15 -1.26 -5.03 113.70 121.12 2fgu s SER 80 Ca 0.77 -0.03 0.26 0.00 0.70 0.00 0.00 55.95 57.65 2fgu s SER 80 Cb -0.20 0.28 0.94 0.00 -1.71 0.00 0.00 66.02 65.33 2fgu s SER 80 CO 0.30 -0.38 1.79 -0.81 1.20 0.00 0.00 173.24 175.34 2fgu n PRO 81 N 1.51 0.16 -3.87 5.44 -0.04 -1.26 -4.72 135.00 132.22 2fgu n PRO 81 Ca -0.21 0.19 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 2fgu n PRO 81 Cb 0.56 -1.71 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 2fgu n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2fgu s VAL 82 N -3.10 0.05 -0.22 0.52 1.01 -1.26 -5.06 120.40 112.34 2fgu s VAL 82 Ca 0.10 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 2fgu s VAL 82 Cb 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.23 2fgu s VAL 82 CO 0.53 -0.23 0.97 0.20 0.00 0.00 0.00 175.10 176.57 2fgu s ASN 83 N -0.74 7.03 -0.19 3.32 0.01 -1.26 -4.30 114.94 118.80 2fgu s ASN 83 Ca -0.08 1.28 -0.02 0.00 -0.71 0.00 0.00 52.86 53.33 2fgu s ASN 83 Cb -0.05 -2.51 -0.00 0.00 0.41 0.00 0.00 41.25 39.10 2fgu s ASN 83 CO 0.01 -0.60 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.27 2fgu s ILE 84 N 2.97 2.97 -0.40 0.60 1.01 0.72 0.02 121.20 129.09 2fgu s ILE 84 Ca 0.41 -0.64 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 2fgu s ILE 84 Cb -0.15 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.02 2fgu s ILE 84 CO 0.07 0.47 0.57 -0.63 0.00 0.00 0.00 174.94 175.42 2fgu s ILE 85 N 1.18 4.94 0.47 2.92 -1.09 0.22 -0.97 121.20 128.87 2fgu s ILE 85 Ca 0.02 0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.62 2fgu s ILE 85 Cb -0.14 -4.09 0.09 0.00 -1.58 0.00 0.00 42.46 36.73 2fgu s ILE 85 CO -0.04 -0.42 0.65 0.61 -1.23 0.00 0.00 174.94 174.51 2fgu n GLY 86 N 4.94 1.41 0.20 6.18 0.00 -1.20 -1.34 105.19 115.38 2fgu n GLY 86 Ca -0.04 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 43.90 2fgu n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2fgu h ARG 87 N 0.00 0.00 -0.76 1.61 3.08 -0.77 -0.57 114.38 116.97 2fgu h ARG 87 Ca -0.22 0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.98 2fgu h ARG 87 Cb 0.91 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.91 2fgu h ARG 87 CO 0.27 0.31 0.51 -2.95 -1.07 0.00 0.00 179.97 177.04 2fgu h ASN 88 N 0.00 0.38 0.08 7.04 -1.07 -1.75 -1.97 115.58 118.29 2fgu h ASN 88 Ca -0.00 0.02 -0.36 0.00 0.07 0.00 0.00 56.30 56.02 2fgu h ASN 88 Cb 0.55 -0.05 -0.06 0.00 -2.07 0.00 0.00 38.32 36.69 2fgu h ASN 88 CO 0.04 0.19 -2.29 0.18 0.07 0.00 0.00 177.43 175.63 2fgu n LEU 89 N -4.48 1.26 -0.26 6.14 4.77 -0.69 -4.11 117.00 119.64 2fgu n LEU 89 Ca 0.14 0.04 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 2fgu n LEU 89 Cb 0.54 -0.12 0.30 0.00 -2.33 0.00 0.00 43.42 41.81 2fgu n LEU 89 CO 0.33 0.65 1.23 -0.07 -1.33 0.00 0.00 177.39 178.20 2fgu h LEU 90 N 0.01 0.79 -0.82 2.23 3.38 -0.98 -1.22 115.31 118.70 2fgu h LEU 90 Ca -0.51 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.35 2fgu h LEU 90 Cb 2.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.67 2fgu h LEU 90 CO 0.01 0.50 -0.41 0.71 0.09 0.00 0.00 178.44 179.34 2fgu h THR 91 N 0.89 1.31 0.00 0.22 1.35 -1.55 -1.61 112.91 113.52 2fgu h THR 91 Ca 0.37 -1.55 -0.07 0.00 -0.55 0.00 0.00 66.41 64.62 2fgu h THR 91 Cb 0.28 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 2fgu h THR 91 CO -0.14 0.47 -0.32 1.56 -0.25 0.00 0.00 175.52 176.84 2fgu h GLN 92 N 0.32 0.00 -0.36 4.72 4.20 -1.38 -2.57 115.11 120.04 2fgu h GLN 92 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2fgu h GLN 92 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2fgu h GLN 92 CO 0.07 0.32 0.00 0.44 -0.67 0.00 0.00 178.83 178.99 2fgu n ILE 93 N -4.06 0.47 -1.66 2.54 -5.35 -1.03 -4.90 119.36 105.37 2fgu n ILE 93 Ca -0.02 -0.56 -0.01 0.00 -0.27 0.00 0.00 62.75 61.89 2fgu n ILE 93 Cb 0.37 0.46 -0.00 0.00 -1.74 0.00 0.00 39.64 38.73 2fgu n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2fgu n GLY 94 N 1.27 0.37 3.70 3.28 0.00 -0.97 -5.00 105.19 107.84 2fgu n GLY 94 Ca 0.17 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2fgu n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fgu s THR 96 N 1.64 1.88 -0.12 0.00 -4.23 -1.26 -4.70 115.64 108.84 2fgu s THR 96 Ca 0.53 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 2fgu s THR 96 Cb -0.23 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 2fgu s THR 96 CO 0.24 -0.13 0.04 -0.76 -0.54 0.00 0.00 174.62 173.47 2fgu s LEU 97 N -3.59 3.77 -0.01 4.79 1.43 -1.26 -5.09 118.68 118.72 2fgu s LEU 97 Ca 0.33 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 2fgu s LEU 97 Cb 0.06 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2fgu s LEU 97 CO 0.16 0.32 -0.04 0.20 0.23 0.00 0.00 176.35 177.22 2fgu s ASN 98 N -0.51 0.54 0.00 2.29 0.01 -1.26 -5.29 114.94 110.72 2fgu s ASN 98 Ca 0.10 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 2fgu s ASN 98 Cb -0.12 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.42 2fgu s ASN 98 CO 0.02 0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.85