#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fb7 s GLN 2 N 0.00 3.25 -0.53 0.54 0.74 -1.26 -5.01 119.66 117.39 1fb7 s GLN 2 Ca 0.00 -0.49 -0.23 0.00 0.05 0.00 0.00 55.36 54.69 1fb7 s GLN 2 Cb 0.00 -4.10 0.04 0.00 1.10 0.00 0.00 33.01 30.06 1fb7 s GLN 2 CO 0.00 -1.51 0.85 0.08 -0.55 0.00 0.00 175.29 174.16 1fb7 s VAL 3 N 3.74 4.53 1.04 1.34 1.01 -1.26 -5.05 120.40 125.75 1fb7 s VAL 3 Ca 0.26 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 1fb7 s VAL 3 Cb -0.15 -4.46 0.21 0.00 0.00 0.00 0.00 36.38 31.98 1fb7 s VAL 3 CO 0.16 -1.01 1.11 0.42 0.00 0.00 0.00 175.10 175.78 1fb7 s THR 4 N 3.56 1.90 -0.23 3.92 -4.23 -1.26 -5.01 115.64 114.29 1fb7 s THR 4 Ca 0.26 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.89 1fb7 s THR 4 Cb -0.14 -2.54 0.44 0.00 1.34 0.00 0.00 72.50 71.60 1fb7 s THR 4 CO 0.17 0.00 1.31 0.18 -0.54 0.00 0.00 174.62 175.75 1fb7 n LEU 5 N -4.27 3.26 -0.00 4.79 4.77 -1.26 -4.66 117.00 119.62 1fb7 n LEU 5 Ca 0.07 -3.70 -0.03 0.00 -0.03 0.00 0.00 56.01 52.32 1fb7 n LEU 5 Cb 0.58 -0.56 0.21 0.00 -2.33 0.00 0.00 43.42 41.32 1fb7 n LEU 5 CO 0.54 1.22 0.78 -0.50 -1.33 0.00 0.00 177.39 178.10 1fb7 h TRP 6 N 0.93 0.59 -1.79 -1.77 4.06 -2.05 -3.43 115.95 112.49 1fb7 h TRP 6 Ca 0.08 -0.11 -0.60 0.00 2.06 0.00 0.00 58.89 60.32 1fb7 h TRP 6 Cb 1.27 -0.15 -0.13 0.00 -1.00 0.00 0.00 29.16 29.15 1fb7 h TRP 6 CO 0.75 0.69 -0.59 -0.65 -3.56 0.00 0.00 178.44 175.08 1fb7 s GLN 7 N -4.62 1.92 0.35 0.49 -0.21 -1.26 -5.11 119.66 111.22 1fb7 s GLN 7 Ca -0.07 -2.10 -0.28 0.00 0.02 0.00 0.00 55.36 52.92 1fb7 s GLN 7 Cb 0.14 -1.44 -0.11 0.00 1.00 0.00 0.00 33.01 32.61 1fb7 s GLN 7 CO 0.79 -0.13 1.39 1.03 -2.12 0.00 0.00 175.29 176.25 1fb7 s ARG 8 N -3.77 4.25 -1.14 2.91 0.52 -1.26 -4.89 118.95 115.56 1fb7 s ARG 8 Ca 0.32 2.37 -0.20 0.00 -0.52 0.00 0.00 55.73 57.70 1fb7 s ARG 8 Cb 0.09 -3.02 0.08 0.00 0.52 0.00 0.00 34.95 32.61 1fb7 s ARG 8 CO 0.16 -0.34 1.54 -1.25 0.02 0.00 0.00 175.30 175.42 1fb7 s PRO 9 N -1.93 3.80 0.16 3.54 0.04 -1.26 -4.97 135.00 134.38 1fb7 s PRO 9 Ca 0.51 -1.66 -0.02 0.00 0.04 0.00 0.00 61.00 59.87 1fb7 s PRO 9 Cb -0.43 -5.37 -0.05 0.00 0.04 0.00 0.00 34.50 28.70 1fb7 s PRO 9 CO 0.57 -2.15 0.36 -0.51 0.04 0.00 0.00 177.00 175.31 1fb7 s LEU 10 N 4.17 4.26 0.26 -3.56 1.43 -1.26 -0.88 118.68 123.10 1fb7 s LEU 10 Ca 0.48 0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 53.95 1fb7 s LEU 10 Cb 0.01 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 1fb7 s LEU 10 CO -0.02 0.02 0.39 0.68 0.23 0.00 0.00 176.35 177.65 1fb7 s VAL 11 N -1.75 0.00 -0.17 -1.59 -7.23 0.13 -4.92 120.40 104.87 1fb7 s VAL 11 Ca 0.39 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 58.86 1fb7 s VAL 11 Cb -0.12 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1fb7 s VAL 11 CO 0.27 0.00 0.06 -0.89 -0.31 0.00 0.00 175.10 174.24 1fb7 s THR 12 N -3.77 4.78 0.27 5.32 2.01 -1.26 0.31 115.64 123.31 1fb7 s THR 12 Ca 0.29 -0.04 0.12 0.00 0.31 0.00 0.00 61.69 62.37 1fb7 s THR 12 Cb 0.01 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 1fb7 s THR 12 CO 0.13 0.48 -0.19 0.27 -0.69 0.00 0.00 174.62 174.62 1fb7 s ILE 13 N 0.25 2.56 -0.10 1.82 -4.36 0.59 -1.14 121.20 120.83 1fb7 s ILE 13 Ca 0.04 -2.31 0.01 0.00 -0.26 0.00 0.00 60.65 58.13 1fb7 s ILE 13 Cb -0.12 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.27 1fb7 s ILE 13 CO 0.00 -0.36 -0.11 -0.75 0.24 0.00 0.00 174.94 173.96 1fb7 s LYS 14 N -3.42 1.74 -0.22 0.37 2.20 0.09 -1.33 119.74 119.17 1fb7 s LYS 14 Ca 0.29 -0.38 -0.20 0.00 -0.36 0.00 0.00 55.97 55.32 1fb7 s LYS 14 Cb -0.06 -1.59 0.06 0.00 -1.51 0.00 0.00 37.83 34.73 1fb7 s LYS 14 CO 0.15 -0.12 0.59 -1.50 -0.36 0.00 0.00 175.35 174.11 1fb7 s ILE 15 N 1.18 -0.00 -1.34 5.43 2.07 0.44 -1.62 121.20 127.36 1fb7 s ILE 15 Ca -0.04 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.16 1fb7 s ILE 15 Cb -0.14 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.63 1fb7 s ILE 15 CO -0.03 0.00 0.51 0.61 -1.91 0.00 0.00 174.94 174.12 1fb7 n GLY 16 N 2.86 -0.35 2.51 1.50 0.00 -1.26 -1.30 105.19 109.15 1fb7 n GLY 16 Ca -0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 1fb7 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fb7 n GLY 17 N -1.41 0.66 3.23 -0.02 0.00 -1.26 -4.98 105.19 101.41 1fb7 n GLY 17 Ca -0.10 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1fb7 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fb7 s GLN 18 N -1.95 0.97 -0.19 1.61 -0.21 -0.42 -5.14 119.66 114.34 1fb7 s GLN 18 Ca 0.00 -1.10 -0.09 0.00 0.02 0.00 0.00 55.36 54.18 1fb7 s GLN 18 Cb 0.00 -1.03 -0.05 0.00 1.00 0.00 0.00 33.01 32.94 1fb7 s GLN 18 CO 0.00 0.22 0.13 -0.51 -2.12 0.00 0.00 175.29 173.01 1fb7 s LEU 19 N -2.00 4.21 0.06 2.90 1.43 -1.26 -0.42 118.68 123.59 1fb7 s LEU 19 Ca 0.04 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1fb7 s LEU 19 Cb -0.09 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1fb7 s LEU 19 CO 0.03 0.22 0.02 -0.54 0.23 0.00 0.00 176.35 176.31 1fb7 s LYS 20 N 0.14 0.67 0.04 1.70 1.02 -0.44 -4.98 119.74 117.89 1fb7 s LYS 20 Ca 0.09 -1.18 -0.06 0.00 0.02 0.00 0.00 55.97 54.84 1fb7 s LYS 20 Cb -0.11 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 1fb7 s LYS 20 CO -0.01 -0.15 0.29 -1.21 -0.92 0.00 0.00 175.35 173.35 1fb7 s GLU 21 N -3.92 3.59 0.04 1.68 0.41 -1.26 -0.30 118.70 118.95 1fb7 s GLU 21 Ca 0.08 -0.09 -0.08 0.00 -0.41 0.00 0.00 54.97 54.47 1fb7 s GLU 21 Cb 0.07 -3.03 -0.00 0.00 -1.78 0.00 0.00 34.13 29.39 1fb7 s GLU 21 CO -0.10 0.61 0.15 0.00 -0.49 0.00 0.00 175.26 175.43 1fb7 s ALA 22 N -1.39 -0.21 -0.22 5.21 0.00 0.15 -4.58 121.76 120.72 1fb7 s ALA 22 Ca 0.31 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.71 1fb7 s ALA 22 Cb -0.13 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1fb7 s ALA 22 CO 0.19 -0.35 0.28 -1.17 0.00 0.00 0.00 175.76 174.71 1fb7 s LEU 23 N -2.14 4.14 -0.56 0.00 2.96 -0.45 0.23 118.68 122.85 1fb7 s LEU 23 Ca -0.05 0.32 -0.28 0.00 -0.22 0.00 0.00 54.13 53.91 1fb7 s LEU 23 Cb -0.01 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.39 1fb7 s LEU 23 CO -0.05 0.00 1.42 -0.76 -1.32 0.00 0.00 176.35 175.65 1fb7 s LEU 24 N 1.13 3.40 -0.56 -0.68 1.43 -0.06 -1.32 118.68 122.02 1fb7 s LEU 24 Ca 0.13 0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.46 1fb7 s LEU 24 Cb -0.14 -3.05 0.14 0.00 0.03 0.00 0.00 46.19 43.17 1fb7 s LEU 24 CO 0.06 -1.71 0.41 -0.62 0.23 0.00 0.00 176.35 174.71 1fb7 s ASP 25 N 4.46 5.61 0.00 2.29 -1.08 -0.53 -4.82 116.67 122.60 1fb7 s ASP 25 Ca 0.52 -2.35 0.12 0.00 -0.52 0.00 0.00 52.55 50.32 1fb7 s ASP 25 Cb -0.11 -1.95 0.56 0.00 -1.46 0.00 0.00 42.92 39.96 1fb7 s ASP 25 CO 0.25 -0.54 1.32 0.35 0.52 0.00 0.00 175.17 177.06 1fb7 n THR 26 N 4.25 0.87 0.98 1.71 -2.24 -1.26 -1.69 114.28 116.91 1fb7 n THR 26 Ca 0.01 0.22 0.11 0.00 -2.27 0.00 0.00 64.05 62.12 1fb7 n THR 26 Cb 0.41 -1.02 0.05 0.00 -2.10 0.00 0.00 70.33 67.67 1fb7 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fb7 n GLY 27 N -0.28 0.53 3.65 3.38 0.00 -1.26 -4.87 105.19 106.34 1fb7 n GLY 27 Ca 0.05 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1fb7 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fb7 s ALA 28 N -2.19 3.59 0.25 4.61 0.00 -0.68 -4.96 121.76 122.38 1fb7 s ALA 28 Ca 0.23 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.34 1fb7 s ALA 28 Cb 0.19 -2.31 0.30 0.00 0.00 0.00 0.00 23.12 21.30 1fb7 s ALA 28 CO 0.42 -0.20 1.60 -0.44 0.00 0.00 0.00 175.76 177.14 1fb7 h ASP 29 N 7.53 0.28 -1.36 0.00 3.32 -1.90 -0.75 116.42 123.53 1fb7 h ASP 29 Ca -0.38 -0.15 -0.58 0.00 0.02 0.00 0.00 57.03 55.94 1fb7 h ASP 29 Cb 1.17 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 1fb7 h ASP 29 CO 0.65 0.77 -0.48 -1.81 -1.72 0.00 0.00 179.24 176.66 1fb7 s ASP 30 N -6.89 4.40 -0.24 6.45 1.01 -1.26 -3.58 116.67 116.57 1fb7 s ASP 30 Ca -0.04 -1.16 -0.07 0.00 0.71 0.00 0.00 52.55 51.99 1fb7 s ASP 30 Cb 0.12 -0.28 -0.03 0.00 1.01 0.00 0.00 42.92 43.74 1fb7 s ASP 30 CO 0.79 -0.63 0.06 -0.89 0.21 0.00 0.00 175.17 174.71 1fb7 s THR 31 N -2.65 4.29 -0.15 -1.27 2.01 -1.26 -2.89 115.64 113.72 1fb7 s THR 31 Ca 0.37 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1fb7 s THR 31 Cb 0.03 -2.99 0.03 0.00 0.01 0.00 0.00 72.50 69.58 1fb7 s THR 31 CO 0.20 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.70 1fb7 s VAL 32 N 1.46 1.34 0.11 3.82 1.01 -0.19 -0.98 120.40 126.97 1fb7 s VAL 32 Ca 0.06 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1fb7 s VAL 32 Cb -0.15 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1fb7 s VAL 32 CO 0.03 0.33 0.04 -0.76 0.00 0.00 0.00 175.10 174.74 1fb7 s LEU 33 N 1.57 3.59 0.90 3.92 1.43 0.16 -0.86 118.68 129.38 1fb7 s LEU 33 Ca 0.03 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1fb7 s LEU 33 Cb -0.14 -2.28 0.13 0.00 0.03 0.00 0.00 46.19 43.93 1fb7 s LEU 33 CO -0.09 0.15 1.10 -1.84 0.23 0.00 0.00 176.35 175.90 1fb7 n GLU 34 N 0.33 -0.32 -1.61 1.70 0.28 -1.26 -1.24 120.64 118.52 1fb7 n GLU 34 Ca -0.10 -0.03 -0.50 0.00 -0.16 0.00 0.00 57.16 56.38 1fb7 n GLU 34 Cb 0.53 -2.35 -0.05 0.00 1.43 0.00 0.00 31.44 31.00 1fb7 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1fb7 n GLU 35 N -3.86 1.41 -3.81 3.44 4.07 -1.19 -4.44 120.64 116.28 1fb7 n GLU 35 Ca 0.12 0.51 -0.05 0.00 -0.06 0.00 0.00 57.16 57.68 1fb7 n GLU 35 Cb 0.52 -2.14 -0.01 0.00 -0.06 0.00 0.00 31.44 29.75 1fb7 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1fb7 s MET 36 N 0.29 1.51 -0.23 5.31 0.23 -1.26 -5.00 119.30 120.14 1fb7 s MET 36 Ca 0.79 -0.86 -0.14 0.00 -1.03 0.00 0.00 55.69 54.45 1fb7 s MET 36 Cb -0.85 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 32.90 1fb7 s MET 36 CO 0.47 -0.69 0.32 -1.12 -2.03 0.00 0.00 175.02 171.96 1fb7 s SER 37 N -2.99 6.30 0.08 -1.18 0.01 -1.26 -5.05 113.70 109.61 1fb7 s SER 37 Ca 0.13 0.35 0.08 0.00 1.31 0.00 0.00 55.95 57.82 1fb7 s SER 37 Cb -0.03 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1fb7 s SER 37 CO 0.05 -0.05 -0.21 -0.76 0.41 0.00 0.00 173.24 172.68 1fb7 s LEU 38 N 1.36 2.24 -0.34 2.44 1.43 -1.26 -4.88 118.68 119.67 1fb7 s LEU 38 Ca 0.15 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 1fb7 s LEU 38 Cb -0.15 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.14 1fb7 s LEU 38 CO 0.07 0.11 1.23 -2.16 0.23 0.00 0.00 176.35 175.83 1fb7 s PRO 39 N -1.60 3.90 0.00 1.29 0.04 -1.26 -4.92 135.00 132.45 1fb7 s PRO 39 Ca 0.07 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1fb7 s PRO 39 Cb -0.09 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1fb7 s PRO 39 CO 0.03 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.34 1fb7 n GLY 40 N 4.34 -0.18 3.81 0.56 0.00 -1.26 -5.04 105.19 107.43 1fb7 n GLY 40 Ca 0.14 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 1fb7 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fb7 s ARG 41 N -1.59 3.43 0.13 1.61 3.00 -1.26 -5.11 118.95 119.16 1fb7 s ARG 41 Ca 0.00 -0.21 0.05 0.00 -1.00 0.00 0.00 55.73 54.58 1fb7 s ARG 41 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 34.95 31.79 1fb7 s ARG 41 CO 0.00 0.70 -0.12 1.67 0.00 0.00 0.00 175.30 177.55 1fb7 s TRP 42 N -0.83 1.32 0.18 5.12 1.48 -1.26 -4.57 118.94 120.37 1fb7 s TRP 42 Ca 0.13 -0.65 0.11 0.00 -1.06 0.00 0.00 56.10 54.64 1fb7 s TRP 42 Cb -0.12 -0.68 -0.04 0.00 -1.16 0.00 0.00 33.47 31.47 1fb7 s TRP 42 CO 0.03 0.12 -0.22 0.15 -4.06 0.00 0.00 176.95 172.96 1fb7 s LYS 43 N -3.17 1.58 0.63 3.25 1.02 -1.04 -4.90 119.74 117.10 1fb7 s LYS 43 Ca 0.12 -1.44 -0.11 0.00 0.02 0.00 0.00 55.97 54.56 1fb7 s LYS 43 Cb -0.01 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1fb7 s LYS 43 CO 0.02 0.42 1.04 -2.14 -0.92 0.00 0.00 175.35 173.76 1fb7 s PRO 44 N -2.54 3.53 -0.01 -1.68 0.02 -1.26 0.15 135.00 133.20 1fb7 s PRO 44 Ca 0.20 0.74 -0.29 0.00 0.02 0.00 0.00 61.00 61.67 1fb7 s PRO 44 Cb -0.09 -2.07 0.07 0.00 0.02 0.00 0.00 34.50 32.43 1fb7 s PRO 44 CO 0.10 -0.62 0.65 0.21 -0.33 0.00 0.00 177.00 177.00 1fb7 s LYS 45 N -5.18 1.08 -0.08 5.54 2.20 0.26 -4.75 119.74 118.81 1fb7 s LYS 45 Ca 0.55 0.10 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 1fb7 s LYS 45 Cb -0.11 0.51 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 1fb7 s LYS 45 CO 0.54 -0.36 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.34 1fb7 s MET 46 N -1.67 2.77 0.26 4.03 -1.94 -1.26 -0.19 119.30 121.30 1fb7 s MET 46 Ca -0.09 -0.78 0.04 0.00 -1.71 0.00 0.00 55.69 53.14 1fb7 s MET 46 Cb -0.00 -2.36 -0.06 0.00 2.01 0.00 0.00 34.83 34.43 1fb7 s MET 46 CO 0.06 0.41 0.02 0.96 -0.01 0.00 0.00 175.02 176.45 1fb7 s ILE 47 N -0.19 1.07 0.01 2.53 -4.36 -0.44 -4.97 121.20 114.86 1fb7 s ILE 47 Ca -0.01 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1fb7 s ILE 47 Cb -0.13 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.06 1fb7 s ILE 47 CO 0.03 -0.20 -0.03 0.54 0.24 0.00 0.00 174.94 175.52 1fb7 s VAL 48 N -3.39 0.16 0.00 8.37 0.11 -1.26 -1.44 120.40 122.94 1fb7 s VAL 48 Ca 0.32 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1fb7 s VAL 48 Cb 0.07 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.70 1fb7 s VAL 48 CO 0.11 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.27 1fb7 n GLY 49 N 2.30 4.30 0.36 6.54 0.00 -0.50 -4.99 105.19 113.20 1fb7 n GLY 49 Ca -0.18 -1.69 0.23 0.00 0.00 0.00 0.00 46.02 44.38 1fb7 n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1fb7 h ILE 50 N 0.83 0.38 -0.02 -0.61 2.04 -2.03 -0.69 117.51 117.41 1fb7 h ILE 50 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1fb7 h ILE 50 Cb 0.00 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 1fb7 h ILE 50 CO 0.00 0.07 -0.03 0.61 0.00 0.00 0.00 178.15 178.80 1fb7 n GLY 51 N -1.34 0.41 0.00 5.37 0.00 -1.26 -5.06 105.19 103.30 1fb7 n GLY 51 Ca 0.30 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1fb7 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fb7 n GLY 52 N 1.27 0.75 3.92 -0.02 0.00 -0.27 -5.11 105.19 105.73 1fb7 n GLY 52 Ca 0.16 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 1fb7 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fb7 s PHE 53 N -1.46 3.48 0.03 1.61 0.40 -1.26 -1.41 117.98 119.36 1fb7 s PHE 53 Ca 0.00 0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.79 1fb7 s PHE 53 Cb 0.00 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 1fb7 s PHE 53 CO 0.00 0.28 -0.04 0.96 0.70 0.00 0.00 175.22 177.12 1fb7 s ILE 54 N -1.98 0.24 -0.22 0.64 -4.36 -0.52 -4.99 121.20 110.01 1fb7 s ILE 54 Ca 0.41 -0.91 -0.10 0.00 -0.26 0.00 0.00 60.65 59.79 1fb7 s ILE 54 Cb -0.11 -0.35 -0.05 0.00 1.25 0.00 0.00 42.46 43.20 1fb7 s ILE 54 CO 0.30 -0.43 0.13 -0.75 0.24 0.00 0.00 174.94 174.42 1fb7 s LYS 55 N -1.41 4.06 0.27 0.37 2.20 -1.26 -1.32 119.74 122.64 1fb7 s LYS 55 Ca -0.13 -0.28 0.06 0.00 -0.36 0.00 0.00 55.97 55.25 1fb7 s LYS 55 Cb -0.09 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 1fb7 s LYS 55 CO -0.01 0.15 -0.04 0.14 -0.36 0.00 0.00 175.35 175.23 1fb7 s VAL 56 N 0.79 1.44 -0.26 4.02 -7.23 0.73 -4.66 120.40 115.23 1fb7 s VAL 56 Ca 0.07 -2.09 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 1fb7 s VAL 56 Cb -0.13 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1fb7 s VAL 56 CO 0.02 -0.30 0.17 -0.13 -0.31 0.00 0.00 175.10 174.55 1fb7 s ARG 57 N -3.77 3.95 -0.08 4.82 0.52 -0.21 -0.57 118.95 123.61 1fb7 s ARG 57 Ca 0.29 -0.32 -0.21 0.00 -0.52 0.00 0.00 55.73 54.97 1fb7 s ARG 57 Cb 0.05 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1fb7 s ARG 57 CO 0.11 -0.10 0.61 -1.14 0.02 0.00 0.00 175.30 174.80 1fb7 s GLN 58 N 1.51 4.39 -0.06 3.54 0.74 0.12 -1.65 119.66 128.25 1fb7 s GLN 58 Ca 0.07 0.72 0.05 0.00 0.05 0.00 0.00 55.36 56.25 1fb7 s GLN 58 Cb -0.15 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.52 1fb7 s GLN 58 CO 0.08 0.14 -0.24 0.71 -0.55 0.00 0.00 175.29 175.43 1fb7 s TYR 59 N 0.61 2.48 0.24 1.67 1.51 0.60 -2.49 117.35 121.97 1fb7 s TYR 59 Ca 0.33 -0.71 0.10 0.00 -1.01 0.00 0.00 57.07 55.78 1fb7 s TYR 59 Cb -0.17 -1.62 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1fb7 s TYR 59 CO 0.15 -0.21 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.80 1fb7 s ASP 60 N -0.13 4.23 -1.45 2.29 1.01 -1.26 0.21 116.67 121.56 1fb7 s ASP 60 Ca -0.04 -0.70 -0.11 0.00 0.71 0.00 0.00 52.55 52.41 1fb7 s ASP 60 Cb -0.14 -0.68 0.05 0.00 1.01 0.00 0.00 42.92 43.16 1fb7 s ASP 60 CO 0.04 0.05 1.04 1.67 0.21 0.00 0.00 175.17 178.17 1fb7 n GLN 61 N -0.49 -6.54 -3.32 8.23 -0.06 -1.12 -4.90 117.38 109.18 1fb7 n GLN 61 Ca -0.08 0.72 -0.38 0.00 -2.00 0.00 0.00 57.00 55.26 1fb7 n GLN 61 Cb 0.58 -5.68 -0.06 0.00 -4.06 0.00 0.00 30.24 21.02 1fb7 n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1fb7 s ILE 62 N -3.29 5.06 -0.08 1.69 -1.09 0.79 -4.73 121.20 119.56 1fb7 s ILE 62 Ca 0.60 1.02 -0.22 0.00 -2.23 0.00 0.00 60.65 59.82 1fb7 s ILE 62 Cb -0.28 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1fb7 s ILE 62 CO 0.74 0.41 0.65 -0.22 -1.23 0.00 0.00 174.94 175.29 1fb7 s LEU 63 N 0.02 4.30 -0.02 2.97 2.96 -1.26 -0.87 118.68 126.78 1fb7 s LEU 63 Ca 0.27 1.10 -0.00 0.00 -0.22 0.00 0.00 54.13 55.28 1fb7 s LEU 63 Cb -0.16 -2.99 0.02 0.00 0.50 0.00 0.00 46.19 43.55 1fb7 s LEU 63 CO 0.13 -0.10 0.03 -0.51 -1.32 0.00 0.00 176.35 174.59 1fb7 s ILE 64 N 0.80 -0.04 -0.25 6.68 2.07 0.75 -4.73 121.20 126.48 1fb7 s ILE 64 Ca 0.35 0.14 -0.09 0.00 -1.41 0.00 0.00 60.65 59.64 1fb7 s ILE 64 Cb -0.17 -0.08 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 1fb7 s ILE 64 CO 0.16 0.06 0.13 -1.61 -1.91 0.00 0.00 174.94 171.76 1fb7 s GLU 65 N 0.72 3.87 -0.37 3.50 2.02 -0.64 -1.00 118.70 126.79 1fb7 s GLU 65 Ca -0.06 -0.37 -0.06 0.00 0.02 0.00 0.00 54.97 54.50 1fb7 s GLU 65 Cb -0.08 -3.46 0.07 0.00 0.10 0.00 0.00 34.13 30.75 1fb7 s GLU 65 CO -0.02 -0.08 0.16 0.42 0.02 0.00 0.00 175.26 175.75 1fb7 s ILE 66 N 1.41 3.73 -1.50 -1.63 1.01 -0.09 -0.73 121.20 123.40 1fb7 s ILE 66 Ca 0.06 -1.42 -0.12 0.00 0.00 0.00 0.00 60.65 59.16 1fb7 s ILE 66 Cb -0.15 -3.25 0.07 0.00 0.01 0.00 0.00 42.46 39.14 1fb7 s ILE 66 CO 0.06 -0.37 1.01 0.00 0.00 0.00 0.00 174.94 175.64 1fb7 n GLY 68 N -1.74 1.58 3.53 0.00 0.00 -1.26 -5.01 105.19 102.28 1fb7 n GLY 68 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1fb7 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fb7 s HIS 69 N -2.84 3.19 0.45 1.61 4.02 -0.53 -5.03 115.29 116.16 1fb7 s HIS 69 Ca 0.00 -0.08 -0.24 0.00 1.02 0.00 0.00 55.06 55.77 1fb7 s HIS 69 Cb 0.00 -2.79 -0.08 0.00 -1.02 0.00 0.00 32.58 28.69 1fb7 s HIS 69 CO 0.00 -0.53 1.21 0.15 1.02 0.00 0.00 174.74 176.59 1fb7 s LYS 70 N 2.14 3.79 -0.11 1.40 1.02 -1.26 -0.91 119.74 125.81 1fb7 s LYS 70 Ca 0.13 1.91 -0.18 0.00 0.02 0.00 0.00 55.97 57.86 1fb7 s LYS 70 Cb -0.16 -2.51 0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1fb7 s LYS 70 CO 0.13 -0.56 0.45 0.00 -0.92 0.00 0.00 175.35 174.44 1fb7 s ALA 71 N -1.43 -1.13 -0.06 5.17 0.00 -0.17 -4.91 121.76 119.23 1fb7 s ALA 71 Ca 0.62 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.64 1fb7 s ALA 71 Cb -0.32 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1fb7 s ALA 71 CO 0.40 -0.26 -0.23 0.42 0.00 0.00 0.00 175.76 176.10 1fb7 s ILE 72 N -0.46 1.87 -0.02 0.00 1.01 -1.26 -0.18 121.20 122.17 1fb7 s ILE 72 Ca -0.06 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.57 1fb7 s ILE 72 Cb -0.03 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.86 1fb7 s ILE 72 CO 0.03 0.52 0.27 0.61 0.00 0.00 0.00 174.94 176.38 1fb7 n GLY 73 N 3.08 0.34 3.71 6.18 0.00 -0.05 -4.87 105.19 113.57 1fb7 n GLY 73 Ca -0.18 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1fb7 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fb7 s THR 74 N -2.01 4.95 -0.04 2.61 2.01 -1.26 -0.15 115.64 121.75 1fb7 s THR 74 Ca 0.06 1.73 0.05 0.00 0.31 0.00 0.00 61.69 63.84 1fb7 s THR 74 Cb -0.00 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 1fb7 s THR 74 CO -0.01 0.17 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.22 1fb7 s VAL 75 N 1.12 2.68 -0.18 3.82 1.01 0.13 -4.58 120.40 124.42 1fb7 s VAL 75 Ca 0.43 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1fb7 s VAL 75 Cb -0.19 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1fb7 s VAL 75 CO 0.21 0.59 -0.03 -0.76 0.00 0.00 0.00 175.10 175.10 1fb7 s LEU 76 N -0.66 3.17 -0.13 3.92 1.43 -0.15 -0.29 118.68 125.98 1fb7 s LEU 76 Ca 0.10 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1fb7 s LEU 76 Cb -0.11 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 1fb7 s LEU 76 CO 0.00 0.11 -0.08 -0.69 0.23 0.00 0.00 176.35 175.92 1fb7 s VAL 77 N 0.72 3.53 -1.17 -1.59 1.01 -0.66 0.37 120.40 122.62 1fb7 s VAL 77 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1fb7 s VAL 77 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1fb7 s VAL 77 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1fb7 n GLY 78 N 3.27 -1.41 2.98 4.51 0.00 -0.38 -1.04 105.19 113.12 1fb7 n GLY 78 Ca -0.18 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1fb7 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fb7 n PRO 79 N -0.13 0.97 -4.03 1.61 -0.04 -1.26 -3.16 135.00 128.97 1fb7 n PRO 79 Ca 0.00 -1.17 -0.35 0.00 -0.04 0.00 0.00 63.50 61.94 1fb7 n PRO 79 Cb 0.00 -2.42 -0.08 0.00 -0.04 0.00 0.00 33.50 30.96 1fb7 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1fb7 s THR 80 N 4.84 4.94 0.11 0.52 -1.32 -1.26 -4.97 115.64 118.50 1fb7 s THR 80 Ca 0.36 0.01 0.33 0.00 -1.21 0.00 0.00 61.69 61.18 1fb7 s THR 80 Cb 0.09 -3.18 0.35 0.00 -1.51 0.00 0.00 72.50 68.25 1fb7 s THR 80 CO 0.07 0.53 1.99 1.55 -2.21 0.00 0.00 174.62 176.56 1fb7 h PRO 81 N 5.90 0.00 -3.09 7.08 0.13 -1.98 -3.43 132.00 136.61 1fb7 h PRO 81 Ca -0.45 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.51 1fb7 h PRO 81 Cb 1.19 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 1fb7 h PRO 81 CO 0.64 0.00 -0.42 0.54 -0.23 0.00 0.00 178.00 178.53 1fb7 s VAL 82 N -3.73 -0.01 0.12 1.56 0.11 -1.26 -5.08 120.40 112.12 1fb7 s VAL 82 Ca -0.01 0.02 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 1fb7 s VAL 82 Cb 0.10 -0.37 -0.09 0.00 -1.53 0.00 0.00 36.38 34.49 1fb7 s VAL 82 CO 0.40 0.01 1.51 0.20 -3.33 0.00 0.00 175.10 173.89 1fb7 s ASN 83 N 0.31 6.69 -0.13 3.54 0.01 -1.26 -4.77 114.94 119.33 1fb7 s ASN 83 Ca -0.01 2.46 0.03 0.00 -0.71 0.00 0.00 52.86 54.63 1fb7 s ASN 83 Cb -0.03 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1fb7 s ASN 83 CO -0.01 -0.77 -0.23 -0.63 -1.51 0.00 0.00 177.10 173.96 1fb7 s ILE 84 N 1.43 2.08 -0.37 0.60 1.01 -0.04 -1.35 121.20 124.56 1fb7 s ILE 84 Ca 0.68 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 1fb7 s ILE 84 Cb -0.40 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.26 1fb7 s ILE 84 CO 0.31 0.55 0.44 -0.63 0.00 0.00 0.00 174.94 175.61 1fb7 s ILE 85 N 0.64 5.08 0.73 2.92 -1.09 -0.44 -1.03 121.20 128.02 1fb7 s ILE 85 Ca -0.11 0.05 -0.06 0.00 -2.23 0.00 0.00 60.65 58.30 1fb7 s ILE 85 Cb -0.16 -3.94 0.16 0.00 -1.58 0.00 0.00 42.46 36.93 1fb7 s ILE 85 CO 0.02 -0.24 1.00 0.61 -1.23 0.00 0.00 174.94 175.10 1fb7 n GLY 86 N 4.94 -0.18 0.29 6.18 0.00 -1.14 -1.45 105.19 113.84 1fb7 n GLY 86 Ca -0.07 -1.90 0.16 0.00 0.00 0.00 0.00 46.02 44.22 1fb7 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fb7 h ARG 87 N 0.00 0.00 -0.57 1.61 3.08 -1.25 -2.48 114.38 114.76 1fb7 h ARG 87 Ca -0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1fb7 h ARG 87 Cb 1.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 1fb7 h ARG 87 CO 0.30 0.05 0.34 -2.95 -1.07 0.00 0.00 179.97 176.64 1fb7 h ASN 88 N 0.00 0.69 0.63 7.04 -1.07 -1.82 -2.64 115.58 118.40 1fb7 h ASN 88 Ca -0.00 -0.06 -0.23 0.00 0.07 0.00 0.00 56.30 56.07 1fb7 h ASN 88 Cb 0.19 -0.17 -0.04 0.00 -2.07 0.00 0.00 38.32 36.23 1fb7 h ASN 88 CO 0.01 0.55 -1.53 -0.07 0.07 0.00 0.00 177.43 176.46 1fb7 h LEU 89 N 0.77 0.00 -1.02 6.14 3.38 -1.88 -3.36 115.31 119.35 1fb7 h LEU 89 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1fb7 h LEU 89 Cb -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1fb7 h LEU 89 CO -0.04 0.82 0.49 0.24 0.09 0.00 0.00 178.44 180.05 1fb7 h MET 90 N 0.00 1.17 -0.25 1.13 2.86 -1.37 -1.79 114.93 116.68 1fb7 h MET 90 Ca -0.22 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.25 1fb7 h MET 90 Cb 1.82 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 33.23 1fb7 h MET 90 CO 0.07 0.84 -0.08 1.79 1.06 0.00 0.00 176.91 180.58 1fb7 h THR 91 N 1.18 1.20 -0.25 2.22 1.35 -1.62 -1.19 112.91 115.80 1fb7 h THR 91 Ca 0.30 -0.83 -0.07 0.00 -0.55 0.00 0.00 66.41 65.26 1fb7 h THR 91 Cb -0.01 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 1fb7 h THR 91 CO -0.05 0.27 -0.16 1.56 -0.25 0.00 0.00 175.52 176.89 1fb7 h GLN 92 N 0.37 0.42 -0.01 4.72 4.20 -1.47 -2.79 115.11 120.55 1fb7 h GLN 92 Ca 0.08 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1fb7 h GLN 92 Cb 0.38 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1fb7 h GLN 92 CO 0.02 0.58 -0.30 0.44 -0.67 0.00 0.00 178.83 178.90 1fb7 n ILE 93 N -4.19 0.00 -0.55 2.54 -5.35 -0.99 -4.96 119.36 105.86 1fb7 n ILE 93 Ca 0.00 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1fb7 n ILE 93 Cb 0.33 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 1fb7 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fb7 n GLY 94 N 1.36 0.76 3.80 3.28 0.00 -0.75 -5.07 105.19 108.57 1fb7 n GLY 94 Ca 0.12 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1fb7 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fb7 s THR 96 N -3.03 0.00 0.22 0.00 -1.32 -1.26 -4.70 115.64 105.55 1fb7 s THR 96 Ca 0.60 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.91 1fb7 s THR 96 Cb -0.15 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.76 1fb7 s THR 96 CO 0.55 0.00 0.68 -0.76 -2.21 0.00 0.00 174.62 172.88 1fb7 s LEU 97 N -1.52 4.29 -0.11 9.08 1.43 -1.26 -5.07 118.68 125.52 1fb7 s LEU 97 Ca 0.08 1.30 0.04 0.00 -1.03 0.00 0.00 54.13 54.52 1fb7 s LEU 97 Cb -0.01 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1fb7 s LEU 97 CO -0.05 0.00 -0.23 0.20 0.23 0.00 0.00 176.35 176.51 1fb7 s ASN 98 N -1.80 3.00 0.00 2.29 0.01 -1.26 -5.27 114.94 111.91 1fb7 s ASN 98 Ca 0.44 -0.55 0.04 0.00 -0.71 0.00 0.00 52.86 52.08 1fb7 s ASN 98 Cb -0.15 -1.37 0.03 0.00 0.41 0.00 0.00 41.25 40.17 1fb7 s ASN 98 CO 0.20 0.13 0.63 0.33 -1.51 0.00 0.00 177.10 176.88