#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 3.39 -0.19 0.54 0.74 -1.26 -5.09 119.66 117.78 2fgu s GLN 2 Ca 0.00 -0.67 -0.01 0.00 0.05 0.00 0.00 55.36 54.73 2fgu s GLN 2 Cb 0.00 -2.72 0.00 0.00 1.10 0.00 0.00 33.01 31.39 2fgu s GLN 2 CO 0.00 0.12 -0.11 0.42 -0.55 0.00 0.00 175.29 175.16 2fgu s ILE 3 N 0.61 2.84 0.55 -2.34 1.01 -1.26 -5.10 121.20 117.51 2fgu s ILE 3 Ca -0.06 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 2fgu s ILE 3 Cb -0.15 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.01 2fgu s ILE 3 CO 0.03 0.48 0.97 0.28 0.00 0.00 0.00 174.94 176.70 2fgu s THR 4 N 1.23 4.66 -0.80 2.92 -1.32 -1.26 -5.02 115.64 116.05 2fgu s THR 4 Ca 0.03 0.95 0.12 0.00 -1.21 0.00 0.00 61.69 61.58 2fgu s THR 4 Cb -0.14 -3.80 0.38 0.00 -1.51 0.00 0.00 72.50 67.43 2fgu s THR 4 CO -0.05 -0.89 1.31 0.18 -2.21 0.00 0.00 174.62 172.96 2fgu n LEU 5 N -2.11 3.22 -0.22 9.08 4.77 -1.26 -4.53 117.00 125.95 2fgu n LEU 5 Ca 0.06 -2.23 0.12 0.00 -0.03 0.00 0.00 56.01 53.93 2fgu n LEU 5 Cb 0.54 -0.31 0.41 0.00 -2.33 0.00 0.00 43.42 41.73 2fgu n LEU 5 CO 0.52 0.73 1.22 -0.50 -1.33 0.00 0.00 177.39 178.02 2fgu h TRP 6 N 2.11 0.71 -2.31 -1.77 4.06 -2.06 -3.42 115.95 113.26 2fgu h TRP 6 Ca 0.00 0.02 -0.56 0.00 2.06 0.00 0.00 58.89 60.41 2fgu h TRP 6 Cb 0.91 -0.23 -0.14 0.00 -1.00 0.00 0.00 29.16 28.71 2fgu h TRP 6 CO 0.31 0.29 -0.68 0.15 -3.56 0.00 0.00 178.44 174.95 2fgu s LYS 7 N -5.60 1.68 0.12 0.49 -0.14 -1.26 -5.10 119.74 109.93 2fgu s LYS 7 Ca -0.09 -1.86 -0.35 0.00 -1.36 0.00 0.00 55.97 52.30 2fgu s LYS 7 Cb 0.21 -1.42 -0.16 0.00 -1.68 0.00 0.00 37.83 34.78 2fgu s LYS 7 CO 0.78 0.09 1.40 0.54 -0.76 0.00 0.00 175.35 177.40 2fgu n ARG 8 N -0.68 1.46 -2.06 1.68 1.74 -1.26 -4.82 116.66 112.72 2fgu n ARG 8 Ca -0.05 0.53 -0.41 0.00 -0.77 0.00 0.00 57.85 57.15 2fgu n ARG 8 Cb 0.63 -2.20 -0.02 0.00 -1.02 0.00 0.00 32.46 29.86 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 2.71 2.65 -3.39 5.56 -0.04 -1.26 -4.94 135.00 136.28 2fgu n PRO 9 Ca 0.18 -2.77 -0.38 0.00 -0.04 0.00 0.00 63.50 60.49 2fgu n PRO 9 Cb 0.23 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.23 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 4.20 4.41 0.09 1.53 1.43 -1.26 -1.04 118.68 128.04 2fgu s LEU 10 Ca 0.54 0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 54.57 2fgu s LEU 10 Cb 0.08 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 2fgu s LEU 10 CO 0.04 0.20 0.05 0.68 0.23 0.00 0.00 176.35 177.54 2fgu s VAL 11 N -0.45 0.16 0.05 -1.59 -7.23 0.09 -4.92 120.40 106.51 2fgu s VAL 11 Ca 0.25 -1.75 -0.26 0.00 -1.81 0.00 0.00 61.98 58.41 2fgu s VAL 11 Cb -0.17 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 2fgu s VAL 11 CO 0.13 -0.72 0.80 -0.89 -0.31 0.00 0.00 175.10 174.12 2fgu s THR 12 N -3.96 4.71 0.26 5.32 2.01 -1.26 -0.90 115.64 121.82 2fgu s THR 12 Ca 0.14 1.71 0.12 0.00 0.31 0.00 0.00 61.69 63.97 2fgu s THR 12 Cb 0.07 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 2fgu s THR 12 CO -0.05 0.34 -0.20 0.27 -0.69 0.00 0.00 174.62 174.29 2fgu s ILE 13 N 0.04 2.39 -0.14 1.82 -4.36 0.44 -1.96 121.20 119.44 2fgu s ILE 13 Ca 0.40 -2.33 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 2fgu s ILE 13 Cb -0.21 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.26 2fgu s ILE 13 CO 0.24 -0.37 -0.19 -0.60 0.24 0.00 0.00 174.94 174.26 2fgu s ARG 14 N -3.38 3.13 -0.12 0.37 3.52 0.28 -0.86 118.95 121.89 2fgu s ARG 14 Ca 0.28 -0.81 -0.06 0.00 -0.13 0.00 0.00 55.73 55.01 2fgu s ARG 14 Cb -0.05 -2.49 0.05 0.00 -1.56 0.00 0.00 34.95 30.90 2fgu s ARG 14 CO 0.13 0.06 0.27 -1.50 -0.81 0.00 0.00 175.30 173.46 2fgu s ILE 15 N 0.67 -0.09 -1.36 4.11 2.07 0.39 -0.93 121.20 126.06 2fgu s ILE 15 Ca -0.09 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 2fgu s ILE 15 Cb -0.16 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.01 2fgu s ILE 15 CO 0.02 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 2fgu n GLY 16 N 4.39 0.09 4.77 1.50 0.00 -1.26 -2.13 105.19 112.55 2fgu n GLY 16 Ca -0.23 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.03 0.37 3.77 -0.02 0.00 -1.26 -4.98 105.19 102.03 2fgu n GLY 17 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 4.37 -0.07 1.61 -2.07 -0.91 -5.02 119.66 117.57 2fgu s GLN 18 Ca 0.00 1.83 -0.16 0.00 -1.82 0.00 0.00 55.36 55.21 2fgu s GLN 18 Cb 0.00 -2.94 -0.05 0.00 -1.09 0.00 0.00 33.01 28.93 2fgu s GLN 18 CO 0.00 -0.04 0.43 -0.51 -1.32 0.00 0.00 175.29 173.84 2fgu s LEU 19 N -1.96 4.36 0.11 2.60 1.43 -1.26 -0.46 118.68 123.50 2fgu s LEU 19 Ca 0.50 0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 2fgu s LEU 19 Cb -0.31 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2fgu s LEU 19 CO 0.40 0.15 0.03 -0.54 0.23 0.00 0.00 176.35 176.63 2fgu s LYS 20 N -0.14 0.85 -0.15 1.70 1.02 -0.04 -4.97 119.74 118.01 2fgu s LYS 20 Ca 0.24 -1.39 -0.08 0.00 0.02 0.00 0.00 55.97 54.76 2fgu s LYS 20 Cb -0.16 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 2fgu s LYS 20 CO 0.11 -0.22 0.12 -2.00 -0.92 0.00 0.00 175.35 172.44 2fgu s GLU 21 N -4.01 3.72 0.01 1.68 2.12 -1.26 -0.42 118.70 120.54 2fgu s GLU 21 Ca 0.20 -0.20 -0.10 0.00 0.36 0.00 0.00 54.97 55.23 2fgu s GLU 21 Cb 0.08 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 31.22 2fgu s GLU 21 CO -0.01 0.56 0.20 0.00 -0.54 0.00 0.00 175.26 175.47 2fgu s ALA 22 N -0.41 -0.45 -0.24 6.30 0.00 -0.08 -4.34 121.76 122.55 2fgu s ALA 22 Ca 0.11 -0.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 2fgu s ALA 22 Cb -0.12 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2fgu s ALA 22 CO 0.01 -0.28 0.43 -1.17 0.00 0.00 0.00 175.76 174.76 2fgu s LEU 23 N -1.64 4.09 -0.32 0.00 0.20 0.68 -0.73 118.68 120.97 2fgu s LEU 23 Ca -0.11 0.47 -0.29 0.00 0.69 0.00 0.00 54.13 54.89 2fgu s LEU 23 Cb -0.05 -2.54 0.01 0.00 -0.43 0.00 0.00 46.19 43.18 2fgu s LEU 23 CO 0.00 -0.17 1.22 -0.76 -0.29 0.00 0.00 176.35 176.35 2fgu s LEU 24 N 1.81 3.88 -0.43 -0.68 1.43 -0.21 -0.49 118.68 123.98 2fgu s LEU 24 Ca 0.19 1.10 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2fgu s LEU 24 Cb -0.15 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.66 2fgu s LEU 24 CO 0.09 -1.03 0.23 -0.62 0.23 0.00 0.00 176.35 175.24 2fgu s ASP 25 N 2.41 3.71 0.59 2.29 -1.08 -0.38 -4.77 116.67 119.43 2fgu s ASP 25 Ca 0.52 -2.57 0.36 0.00 -0.52 0.00 0.00 52.55 50.34 2fgu s ASP 25 Cb -0.14 -1.05 1.80 0.00 -1.46 0.00 0.00 42.92 42.07 2fgu s ASP 25 CO 0.21 -0.28 2.16 0.71 0.52 0.00 0.00 175.17 178.50 2fgu h THR 26 N 5.35 0.18 -0.00 1.71 1.35 -1.93 -2.27 112.91 117.29 2fgu h THR 26 Ca -0.02 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2fgu h THR 26 Cb 0.93 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2fgu h THR 26 CO 0.49 0.03 -0.02 0.61 -0.25 0.00 0.00 175.52 176.38 2fgu n GLY 27 N -0.62 -0.76 3.57 5.82 0.00 -1.26 -4.84 105.19 107.10 2fgu n GLY 27 Ca -0.02 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.12 3.37 0.26 4.61 0.00 -0.85 -4.97 121.76 122.05 2fgu s ALA 28 Ca 0.41 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 2fgu s ALA 28 Cb 0.21 -2.11 0.34 0.00 0.00 0.00 0.00 23.12 21.56 2fgu s ALA 28 CO 0.39 -0.20 1.74 -0.44 0.00 0.00 0.00 175.76 177.25 2fgu h ASP 29 N 7.57 0.71 -1.98 0.00 3.32 -1.88 0.06 116.42 124.23 2fgu h ASP 29 Ca -0.37 -0.19 -0.56 0.00 0.02 0.00 0.00 57.03 55.93 2fgu h ASP 29 Cb 1.17 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 40.44 2fgu h ASP 29 CO 0.63 0.82 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.57 2fgu s ASP 30 N -6.69 4.51 -0.28 6.45 1.01 -1.26 -3.25 116.67 117.17 2fgu s ASP 30 Ca -0.09 -0.79 -0.10 0.00 0.71 0.00 0.00 52.55 52.27 2fgu s ASP 30 Cb 0.14 -0.71 -0.04 0.00 1.01 0.00 0.00 42.92 43.32 2fgu s ASP 30 CO 0.81 -0.20 0.17 -0.89 0.21 0.00 0.00 175.17 175.26 2fgu s THR 31 N -2.42 5.08 -0.12 -1.27 2.01 -1.26 -3.03 115.64 114.63 2fgu s THR 31 Ca 0.35 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.44 2fgu s THR 31 Cb -0.03 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 69.07 2fgu s THR 31 CO 0.21 0.25 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.52 2fgu s VAL 32 N 1.72 1.72 0.01 3.82 1.01 -0.42 -0.51 120.40 127.75 2fgu s VAL 32 Ca 0.07 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2fgu s VAL 32 Cb -0.16 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2fgu s VAL 32 CO 0.09 0.48 -0.08 -0.76 0.00 0.00 0.00 175.10 174.84 2fgu s LEU 33 N 0.88 3.10 0.49 3.92 1.43 0.18 -0.35 118.68 128.32 2fgu s LEU 33 Ca -0.08 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 2fgu s LEU 33 Cb -0.15 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.18 2fgu s LEU 33 CO -0.01 0.28 0.61 -0.62 0.23 0.00 0.00 176.35 176.84 2fgu n GLU 34 N 1.55 0.66 -1.66 1.70 1.02 -1.26 -1.85 120.64 120.80 2fgu n GLU 34 Ca -0.15 0.25 -0.54 0.00 -0.02 0.00 0.00 57.16 56.70 2fgu n GLU 34 Cb 0.52 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 2fgu n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2fgu n GLU 35 N 0.21 1.30 -3.74 3.49 4.07 -0.86 -4.57 120.64 120.54 2fgu n GLU 35 Ca 0.11 0.47 -0.13 0.00 -0.06 0.00 0.00 57.16 57.56 2fgu n GLU 35 Cb 0.43 -2.16 -0.08 0.00 -0.06 0.00 0.00 31.44 29.57 2fgu n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2fgu s MET 36 N 2.14 0.76 -1.14 5.31 0.23 -1.26 -5.01 119.30 120.33 2fgu s MET 36 Ca 0.91 -0.33 -0.03 0.00 -1.03 0.00 0.00 55.69 55.20 2fgu s MET 36 Cb -0.97 0.33 0.25 0.00 -1.53 0.00 0.00 34.83 32.92 2fgu s MET 36 CO 0.55 -0.23 1.91 -1.71 -2.03 0.00 0.00 175.02 173.51 2fgu n ASN 37 N 0.89 7.16 -4.75 -1.18 4.05 -1.26 -4.99 115.26 115.18 2fgu n ASN 37 Ca -0.20 -3.45 -0.41 0.00 0.45 0.00 0.00 54.58 50.97 2fgu n ASN 37 Cb 0.58 -1.27 -0.02 0.00 1.23 0.00 0.00 39.78 40.30 2fgu n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2fgu s LEU 38 N -3.11 4.37 0.74 1.20 1.43 -1.26 -5.01 118.68 117.03 2fgu s LEU 38 Ca 0.41 2.80 -0.12 0.00 -1.03 0.00 0.00 54.13 56.19 2fgu s LEU 38 Cb 0.15 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.79 2fgu s LEU 38 CO -0.06 -0.80 1.09 -2.16 0.23 0.00 0.00 176.35 174.65 2fgu s PRO 39 N -0.37 2.40 0.00 1.29 0.04 -1.26 -4.97 135.00 132.13 2fgu s PRO 39 Ca 0.62 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2fgu s PRO 39 Cb -0.45 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2fgu s PRO 39 CO 0.45 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2fgu n GLY 40 N -1.08 2.18 3.80 0.56 0.00 -1.26 -5.04 105.19 104.36 2fgu n GLY 40 Ca 0.09 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.99 3.40 0.19 1.61 0.00 -1.26 -5.07 119.74 116.62 2fgu s LYS 41 Ca 0.00 1.26 -0.10 0.00 0.00 0.00 0.00 55.97 57.13 2fgu s LYS 41 Cb 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 37.83 35.78 2fgu s LYS 41 CO 0.00 -0.75 0.35 1.67 0.00 0.00 0.00 175.35 176.62 2fgu s TRP 42 N -2.32 0.39 -0.02 1.78 1.48 -1.26 -4.68 118.94 114.30 2fgu s TRP 42 Ca 0.65 -0.74 0.06 0.00 -1.06 0.00 0.00 56.10 55.01 2fgu s TRP 42 Cb -0.17 0.02 -0.01 0.00 -1.16 0.00 0.00 33.47 32.15 2fgu s TRP 42 CO 0.33 -0.80 -0.20 0.15 -4.06 0.00 0.00 176.95 172.36 2fgu s LYS 43 N -3.98 1.70 0.54 3.25 -0.14 -0.63 -4.89 119.74 115.58 2fgu s LYS 43 Ca 0.19 -0.73 -0.20 0.00 -1.36 0.00 0.00 55.97 53.87 2fgu s LYS 43 Cb 0.02 -1.62 -0.06 0.00 -1.68 0.00 0.00 37.83 34.49 2fgu s LYS 43 CO 0.03 0.43 1.15 -1.25 -0.76 0.00 0.00 175.35 174.95 2fgu s PRO 44 N -0.44 3.34 0.02 -1.68 0.04 -1.26 -0.97 135.00 134.05 2fgu s PRO 44 Ca 0.07 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 2fgu s PRO 44 Cb -0.08 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.44 2fgu s PRO 44 CO -0.00 -0.88 0.41 0.21 0.04 0.00 0.00 177.00 176.78 2fgu s LYS 45 N -3.20 0.88 -0.11 4.56 2.20 -0.55 -4.88 119.74 118.64 2fgu s LYS 45 Ca 0.72 -0.27 0.02 0.00 -0.36 0.00 0.00 55.97 56.08 2fgu s LYS 45 Cb -0.26 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.44 2fgu s LYS 45 CO 0.30 -0.29 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.19 2fgu s MET 46 N -2.11 3.16 0.13 4.03 -1.94 -1.26 -0.54 119.30 120.78 2fgu s MET 46 Ca -0.08 -0.76 0.07 0.00 -1.71 0.00 0.00 55.69 53.22 2fgu s MET 46 Cb -0.02 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.30 2fgu s MET 46 CO 0.00 0.25 -0.16 0.96 -0.01 0.00 0.00 175.02 176.06 2fgu s ILE 47 N 0.22 1.51 0.20 2.53 -4.36 -0.43 -4.95 121.20 115.93 2fgu s ILE 47 Ca -0.11 -1.77 0.10 0.00 -0.26 0.00 0.00 60.65 58.61 2fgu s ILE 47 Cb -0.16 -1.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 2fgu s ILE 47 CO 0.06 -0.36 -0.19 -0.83 0.24 0.00 0.00 174.94 173.86 2fgu s GLY 48 N -2.48 1.58 0.00 6.27 0.00 -1.26 -0.83 107.32 110.60 2fgu s GLY 48 Ca 0.11 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.19 2fgu s GLY 48 CO 0.04 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.06 2fgu n GLY 49 N -0.02 2.89 3.73 0.20 0.00 -0.78 -5.00 105.19 106.22 2fgu n GLY 49 Ca -0.10 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 2fgu n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fgu s ILE 50 N -0.83 2.75 0.00 -0.61 -1.09 -1.26 -2.44 121.20 117.72 2fgu s ILE 50 Ca 0.00 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 2fgu s ILE 50 Cb 0.00 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 2fgu s ILE 50 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 2fgu n GLY 51 N 3.02 3.28 0.00 6.18 0.00 -1.26 -4.96 105.19 111.46 2fgu n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.64 0.84 3.79 -0.02 0.00 -1.02 -5.10 105.19 102.04 2fgu n GLY 52 Ca 0.00 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.30 3.24 0.15 1.61 0.40 -1.26 -1.87 117.98 117.95 2fgu s PHE 53 Ca 0.00 0.13 0.09 0.00 -0.60 0.00 0.00 56.93 56.55 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 0.53 -0.20 0.96 0.70 0.00 0.00 175.22 177.22 2fgu s ILE 54 N -1.34 1.85 -0.01 0.64 -4.36 -0.01 -4.96 121.20 113.01 2fgu s ILE 54 Ca 0.28 -1.81 -0.26 0.00 -0.26 0.00 0.00 60.65 58.60 2fgu s ILE 54 Cb -0.12 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 2fgu s ILE 54 CO 0.20 -0.21 0.79 -0.54 0.24 0.00 0.00 174.94 175.43 2fgu s LYS 55 N -2.50 4.49 0.14 0.37 1.02 -1.26 -1.31 119.74 120.70 2fgu s LYS 55 Ca 0.13 1.08 0.01 0.00 0.02 0.00 0.00 55.97 57.21 2fgu s LYS 55 Cb -0.07 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 2fgu s LYS 55 CO 0.06 0.10 -0.00 0.14 -0.92 0.00 0.00 175.35 174.73 2fgu s VAL 56 N 0.58 0.54 -0.20 3.17 -7.23 0.30 -4.51 120.40 113.05 2fgu s VAL 56 Ca 0.42 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.57 2fgu s VAL 56 Cb -0.19 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 2fgu s VAL 56 CO 0.22 -0.58 0.05 -0.13 -0.31 0.00 0.00 175.10 174.35 2fgu s ARG 57 N -3.93 3.83 -0.30 4.82 0.52 0.54 -1.48 118.95 122.96 2fgu s ARG 57 Ca 0.21 -0.41 -0.13 0.00 -0.52 0.00 0.00 55.73 54.87 2fgu s ARG 57 Cb 0.06 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 2fgu s ARG 57 CO 0.01 0.13 0.28 -1.14 0.02 0.00 0.00 175.30 174.60 2fgu s GLN 58 N 0.73 3.83 -0.12 3.54 0.74 -0.15 -0.50 119.66 127.73 2fgu s GLN 58 Ca 0.03 -0.29 -0.01 0.00 0.05 0.00 0.00 55.36 55.14 2fgu s GLN 58 Cb -0.14 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.24 2fgu s GLN 58 CO 0.02 -0.31 -0.07 0.71 -0.55 0.00 0.00 175.29 175.09 2fgu s TYR 59 N 1.88 2.93 0.24 1.67 1.51 -0.29 -1.60 117.35 123.70 2fgu s TYR 59 Ca 0.10 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 2fgu s TYR 59 Cb -0.16 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 2fgu s TYR 59 CO 0.11 0.02 0.33 -0.51 -1.11 0.00 0.00 175.55 174.38 2fgu s ASP 60 N 0.02 6.17 -1.52 2.29 1.01 -1.26 -0.83 116.67 122.55 2fgu s ASP 60 Ca -0.01 0.01 -0.01 0.00 0.71 0.00 0.00 52.55 53.26 2fgu s ASP 60 Cb -0.14 -1.78 0.01 0.00 1.01 0.00 0.00 42.92 42.02 2fgu s ASP 60 CO 0.03 -0.06 0.13 0.00 0.21 0.00 0.00 175.17 175.49 2fgu n GLN 61 N -1.32 -1.60 -3.38 8.23 1.13 -1.18 -4.90 117.38 114.36 2fgu n GLN 61 Ca -0.09 0.18 -0.38 0.00 -1.94 0.00 0.00 57.00 54.77 2fgu n GLN 61 Cb 0.57 -3.87 -0.07 0.00 0.11 0.00 0.00 30.24 26.98 2fgu n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2fgu s ILE 62 N -4.24 5.20 0.26 5.09 -1.09 -0.46 -4.77 121.20 121.19 2fgu s ILE 62 Ca 0.02 0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 58.89 2fgu s ILE 62 Cb -0.01 -3.74 -0.10 0.00 -1.58 0.00 0.00 42.46 37.03 2fgu s ILE 62 CO 0.97 0.27 1.38 -2.84 -1.23 0.00 0.00 174.94 173.50 2fgu s PRO 63 N 1.12 4.31 -0.05 2.79 0.02 -1.26 -1.97 135.00 139.96 2fgu s PRO 63 Ca 0.20 2.23 -0.02 0.00 0.02 0.00 0.00 61.00 63.44 2fgu s PRO 63 Cb -0.15 -3.12 0.03 0.00 0.02 0.00 0.00 34.50 31.29 2fgu s PRO 63 CO 0.08 -0.33 0.03 0.08 -0.33 0.00 0.00 177.00 176.53 2fgu s VAL 64 N -0.26 0.12 -0.17 3.83 1.01 -0.08 -4.46 120.40 120.38 2fgu s VAL 64 Ca 0.56 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 2fgu s VAL 64 Cb -0.40 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2fgu s VAL 64 CO 0.45 0.22 0.12 -0.70 0.00 0.00 0.00 175.10 175.18 2fgu s GLU 65 N 2.06 3.87 -0.22 2.72 2.12 -0.11 -0.92 118.70 128.21 2fgu s GLU 65 Ca 0.05 -0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.16 2fgu s GLU 65 Cb -0.12 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 31.04 2fgu s GLU 65 CO -0.04 0.46 -0.08 0.42 -0.54 0.00 0.00 175.26 175.49 2fgu s ILE 66 N -0.12 1.61 -1.75 -3.70 1.01 0.23 -0.56 121.20 117.93 2fgu s ILE 66 Ca 0.10 -1.16 -0.15 0.00 0.00 0.00 0.00 60.65 59.43 2fgu s ILE 66 Cb -0.12 -1.79 0.15 0.00 0.01 0.00 0.00 42.46 40.71 2fgu s ILE 66 CO 0.00 0.01 0.43 0.00 0.00 0.00 0.00 174.94 175.38 2fgu n GLY 68 N -1.60 1.26 3.61 0.00 0.00 -1.26 -5.02 105.19 102.18 2fgu n GLY 68 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.18 3.25 0.25 1.61 4.02 0.71 -5.06 115.29 116.89 2fgu s HIS 69 Ca 0.00 0.28 -0.27 0.00 1.02 0.00 0.00 55.06 56.10 2fgu s HIS 69 Cb 0.00 -2.46 -0.09 0.00 -1.02 0.00 0.00 32.58 29.01 2fgu s HIS 69 CO 0.00 -0.16 0.89 0.15 1.02 0.00 0.00 174.74 176.63 2fgu s LYS 70 N 1.81 4.64 0.17 1.40 1.02 -1.26 -0.60 119.74 126.92 2fgu s LYS 70 Ca 0.11 1.30 -0.01 0.00 0.02 0.00 0.00 55.97 57.39 2fgu s LYS 70 Cb -0.16 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 2fgu s LYS 70 CO 0.10 0.44 0.11 0.00 -0.92 0.00 0.00 175.35 175.07 2fgu s ALA 71 N -1.36 1.02 -0.23 5.17 0.00 -0.10 -4.76 121.76 121.50 2fgu s ALA 71 Ca 0.43 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 2fgu s ALA 71 Cb -0.22 1.18 0.08 0.00 0.00 0.00 0.00 23.12 24.16 2fgu s ALA 71 CO 0.27 -0.55 0.53 -1.50 0.00 0.00 0.00 175.76 174.51 2fgu s ILE 72 N -4.11 -0.28 -0.41 0.00 2.07 -1.26 -0.90 121.20 116.30 2fgu s ILE 72 Ca 0.33 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.63 2fgu s ILE 72 Cb 0.07 -0.80 0.00 0.00 0.13 0.00 0.00 42.46 41.86 2fgu s ILE 72 CO 0.08 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.75 2fgu n GLY 73 N 4.68 -0.76 3.72 1.50 0.00 -0.83 -4.87 105.19 108.62 2fgu n GLY 73 Ca -0.18 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.86 4.88 -0.01 2.61 2.01 -1.26 -1.36 115.64 118.65 2fgu s THR 74 Ca 0.00 1.81 0.06 0.00 0.31 0.00 0.00 61.69 63.87 2fgu s THR 74 Cb 0.00 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 2fgu s THR 74 CO 0.00 0.23 -0.20 0.68 -0.69 0.00 0.00 174.62 174.63 2fgu s VAL 75 N 0.73 1.61 -0.17 3.82 -7.23 -0.01 -4.45 120.40 114.71 2fgu s VAL 75 Ca 0.45 -0.89 -0.05 0.00 -1.81 0.00 0.00 61.98 59.69 2fgu s VAL 75 Cb -0.20 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 2fgu s VAL 75 CO 0.24 0.44 0.00 -0.76 -0.31 0.00 0.00 175.10 174.72 2fgu s LEU 76 N -0.51 3.47 -0.13 1.32 1.43 0.33 -1.13 118.68 123.46 2fgu s LEU 76 Ca 0.08 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2fgu s LEU 76 Cb -0.08 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 2fgu s LEU 76 CO -0.01 0.17 -0.15 -0.69 0.23 0.00 0.00 176.35 175.90 2fgu s VAL 77 N 0.37 2.89 -0.08 -1.59 1.01 0.34 0.47 120.40 123.82 2fgu s VAL 77 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2fgu s VAL 77 Cb -0.13 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2fgu s VAL 77 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2fgu n GLY 78 N 3.53 -0.76 2.21 4.51 0.00 -0.77 -0.34 105.19 113.56 2fgu n GLY 78 Ca -0.18 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2fgu n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fgu n PRO 79 N 0.00 3.07 -3.14 1.61 -0.04 -1.26 -2.03 135.00 133.21 2fgu n PRO 79 Ca 0.00 -1.76 -0.36 0.00 -0.04 0.00 0.00 63.50 61.34 2fgu n PRO 79 Cb 0.00 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 30.89 2fgu n PRO 79 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2fgu s SER 80 N 2.13 7.03 0.24 3.54 0.15 -1.26 -4.98 113.70 120.55 2fgu s SER 80 Ca 0.68 1.37 0.24 0.00 0.70 0.00 0.00 55.95 58.94 2fgu s SER 80 Cb 0.23 -2.40 0.94 0.00 -1.71 0.00 0.00 66.02 63.08 2fgu s SER 80 CO -0.04 0.05 1.72 -0.81 1.20 0.00 0.00 173.24 175.36 2fgu n PRO 81 N 0.78 0.20 -3.91 5.44 -0.04 -1.26 -4.46 135.00 131.75 2fgu n PRO 81 Ca -0.03 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.70 2fgu n PRO 81 Cb 0.51 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 32.00 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 -3.26 0.05 -0.04 0.52 1.01 -1.26 -5.02 120.40 112.39 2fgu s VAL 82 Ca 0.05 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2fgu s VAL 82 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.30 2fgu s VAL 82 CO 0.42 -0.21 1.11 0.20 0.00 0.00 0.00 175.10 176.63 2fgu s ASN 83 N -0.62 7.16 -0.09 3.32 0.01 -1.26 -4.35 114.94 119.12 2fgu s ASN 83 Ca -0.07 1.75 0.03 0.00 -0.71 0.00 0.00 52.86 53.86 2fgu s ASN 83 Cb -0.04 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.06 2fgu s ASN 83 CO -0.00 -0.47 -0.19 0.27 -1.51 0.00 0.00 177.10 175.20 2fgu s ILE 84 N 1.76 1.68 -0.36 0.60 -4.36 0.52 -0.23 121.20 120.80 2fgu s ILE 84 Ca 0.54 -0.79 -0.17 0.00 -0.26 0.00 0.00 60.65 59.96 2fgu s ILE 84 Cb -0.23 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 42.00 2fgu s ILE 84 CO 0.23 0.48 0.48 -0.63 0.24 0.00 0.00 174.94 175.73 2fgu s ILE 85 N 0.51 5.05 0.43 8.37 -1.09 0.36 -1.30 121.20 133.53 2fgu s ILE 85 Ca -0.16 0.15 0.07 0.00 -2.23 0.00 0.00 60.65 58.48 2fgu s ILE 85 Cb -0.17 -3.96 0.07 0.00 -1.58 0.00 0.00 42.46 36.82 2fgu s ILE 85 CO 0.06 -0.25 0.60 0.61 -1.23 0.00 0.00 174.94 174.73 2fgu n GLY 86 N 4.90 1.91 0.23 6.18 0.00 -1.17 -1.25 105.19 115.99 2fgu n GLY 86 Ca -0.06 -2.20 0.05 0.00 0.00 0.00 0.00 46.02 43.81 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 0.06 -0.63 1.61 3.08 -1.02 -1.56 114.38 115.93 2fgu h ARG 87 Ca -0.20 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.95 2fgu h ARG 87 Cb 0.92 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 2fgu h ARG 87 CO 0.29 0.21 0.42 -2.95 -1.07 0.00 0.00 179.97 176.86 2fgu h ASN 88 N 0.06 0.34 0.00 7.04 -1.07 -1.82 -1.99 115.58 118.14 2fgu h ASN 88 Ca 0.01 0.01 -0.35 0.00 0.07 0.00 0.00 56.30 56.04 2fgu h ASN 88 Cb 0.29 -0.06 -0.07 0.00 -2.07 0.00 0.00 38.32 36.41 2fgu h ASN 88 CO 0.02 0.20 -2.32 0.18 0.07 0.00 0.00 177.43 175.58 2fgu n LEU 89 N -4.46 0.56 0.14 6.14 4.77 -0.90 -4.33 117.00 118.91 2fgu n LEU 89 Ca 0.11 -0.02 0.08 0.00 -0.03 0.00 0.00 56.01 56.14 2fgu n LEU 89 Cb 0.42 0.22 0.57 0.00 -2.33 0.00 0.00 43.42 42.30 2fgu n LEU 89 CO 0.34 0.55 1.11 -0.07 -1.33 0.00 0.00 177.39 178.00 2fgu h LEU 90 N 0.00 0.17 -0.88 2.23 3.38 -1.18 -1.60 115.31 117.44 2fgu h LEU 90 Ca -0.52 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.34 2fgu h LEU 90 Cb 2.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.81 2fgu h LEU 90 CO 0.01 0.12 -0.34 0.71 0.09 0.00 0.00 178.44 179.03 2fgu h THR 91 N 0.20 1.29 0.00 0.22 1.35 -1.57 -2.20 112.91 112.20 2fgu h THR 91 Ca 0.08 -1.41 -0.02 0.00 -0.55 0.00 0.00 66.41 64.51 2fgu h THR 91 Cb 0.08 1.50 -0.00 0.00 -1.73 0.00 0.00 68.15 67.99 2fgu h THR 91 CO -0.02 0.44 -0.07 1.56 -0.25 0.00 0.00 175.52 177.18 2fgu h GLN 92 N 0.37 0.00 -0.53 4.72 4.20 -1.49 -2.16 115.11 120.22 2fgu h GLN 92 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2fgu h GLN 92 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2fgu h GLN 92 CO 0.06 0.07 0.00 0.44 -0.67 0.00 0.00 178.83 178.73 2fgu n ILE 93 N -3.21 0.83 -1.93 2.54 -5.35 -1.12 -4.93 119.36 106.19 2fgu n ILE 93 Ca 0.00 -0.91 -0.07 0.00 -0.27 0.00 0.00 62.75 61.50 2fgu n ILE 93 Cb 0.34 0.66 -0.01 0.00 -1.74 0.00 0.00 39.64 38.89 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 1.33 0.26 3.72 3.28 0.00 -0.81 -4.98 105.19 107.98 2fgu n GLY 94 Ca 0.20 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 0.80 1.89 -0.09 0.00 -4.23 -1.26 -4.76 115.64 107.98 2fgu s THR 96 Ca 0.56 -2.22 -0.08 0.00 -1.18 0.00 0.00 61.69 58.76 2fgu s THR 96 Cb -0.28 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 2fgu s THR 96 CO 0.30 -0.53 0.19 -0.76 -0.54 0.00 0.00 174.62 173.28 2fgu s LEU 97 N -3.29 4.40 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.63 2fgu s LEU 97 Ca 0.23 0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2fgu s LEU 97 Cb -0.02 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 44.04 2fgu s LEU 97 CO 0.08 0.39 0.04 0.20 0.23 0.00 0.00 176.35 177.29 2fgu s ASN 98 N -1.08 0.02 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.75 2fgu s ASN 98 Ca 0.17 0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.53 2fgu s ASN 98 Cb -0.13 -0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.09 2fgu s ASN 98 CO 0.06 -0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.71