#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f77 n GLY 2 N 0.00 0.46 3.27 -5.12 0.00 -1.26 -4.99 105.19 97.56 2f77 n GLY 2 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2f77 n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f77 s GLN 3 N -0.42 1.11 0.32 1.61 -1.52 -1.26 -5.11 119.66 114.39 2f77 s GLN 3 Ca 0.00 -1.34 -0.29 0.00 -1.95 0.00 0.00 55.36 51.78 2f77 s GLN 3 Cb 0.00 -0.99 -0.11 0.00 -0.22 0.00 0.00 33.01 31.69 2f77 s GLN 3 CO 0.00 0.18 1.55 -1.21 -0.25 0.00 0.00 175.29 175.57 2f77 s GLU 4 N -2.92 4.12 -0.65 2.91 2.02 -1.26 -4.92 118.70 118.01 2f77 s GLU 4 Ca 0.13 2.57 -0.23 0.00 0.02 0.00 0.00 54.97 57.45 2f77 s GLU 4 Cb -0.04 -3.01 0.06 0.00 0.10 0.00 0.00 34.13 31.25 2f77 s GLU 4 CO 0.04 -0.59 0.97 -0.51 0.02 0.00 0.00 175.26 175.19 2f77 s LEU 5 N -1.01 4.28 0.85 1.80 1.43 -1.26 -4.99 118.68 119.78 2f77 s LEU 5 Ca 0.60 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 2f77 s LEU 5 Cb -0.47 -2.48 0.10 0.00 0.03 0.00 0.00 46.19 43.37 2f77 s LEU 5 CO 0.53 -1.43 1.16 -0.94 0.23 0.00 0.00 176.35 175.89 2f77 s SER 6 N 3.55 4.09 0.24 2.29 1.04 -1.26 -4.65 113.70 119.01 2f77 s SER 6 Ca 0.24 0.89 -0.04 0.00 0.48 0.00 0.00 55.95 57.52 2f77 s SER 6 Cb -0.16 -1.44 0.45 0.00 0.10 0.00 0.00 66.02 64.97 2f77 s SER 6 CO 0.12 -2.18 1.75 1.56 0.98 0.00 0.00 173.24 175.47 2f77 h GLN 7 N -1.24 0.52 -0.12 4.02 4.20 -1.99 0.43 115.11 120.92 2f77 h GLN 7 Ca -0.48 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 2f77 h GLN 7 Cb 1.33 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 2f77 h GLN 7 CO 0.64 0.34 -0.01 1.25 -0.67 0.00 0.00 178.83 180.38 2f77 h HIS 8 N 0.53 0.25 -0.66 2.96 2.76 -2.01 -2.54 115.15 116.44 2f77 h HIS 8 Ca 0.41 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 2f77 h HIS 8 Cb 0.57 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 2f77 h HIS 8 CO -0.13 0.48 0.42 0.93 -1.30 0.00 0.00 177.93 178.34 2f77 h GLU 9 N -0.06 0.88 -0.69 5.26 5.08 -1.60 -1.92 114.58 121.53 2f77 h GLU 9 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2f77 h GLU 9 Cb 0.39 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2f77 h GLU 9 CO 0.01 0.60 0.41 0.00 -1.00 0.00 0.00 179.01 179.02 2f77 h ARG 10 N 0.90 0.95 -0.57 2.33 3.08 0.00 -1.70 114.38 119.37 2f77 h ARG 10 Ca 0.24 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.21 2f77 h ARG 10 Cb -0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 2f77 h ARG 10 CO -0.05 0.69 0.38 -0.92 -1.07 0.00 0.00 179.97 179.00 2f77 h TYR 11 N 0.95 0.70 -0.54 3.04 3.20 -0.93 -1.96 116.97 121.43 2f77 h TYR 11 Ca 0.25 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2f77 h TYR 11 Cb -0.01 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 2f77 h TYR 11 CO -0.01 0.43 0.34 0.28 -1.64 0.00 0.00 178.16 177.56 2f77 h VAL 12 N 0.75 1.15 -0.25 1.81 2.07 -1.02 0.24 116.25 121.01 2f77 h VAL 12 Ca 0.22 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2f77 h VAL 12 Cb -0.04 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2f77 h VAL 12 CO -0.05 0.15 0.06 -0.08 0.02 0.00 0.00 177.57 177.68 2f77 h GLU 13 N 0.72 0.16 -0.72 1.57 4.81 -1.10 0.31 114.58 120.33 2f77 h GLU 13 Ca 0.19 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2f77 h GLU 13 Cb -0.04 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2f77 h GLU 13 CO -0.04 0.11 0.34 0.37 -0.73 0.00 0.00 179.01 179.05 2f77 h GLN 14 N 0.17 1.03 -0.62 1.92 4.15 -1.21 -2.21 115.11 118.34 2f77 h GLN 14 Ca 0.11 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2f77 h GLN 14 Cb 0.10 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 2f77 h GLN 14 CO -0.14 0.80 0.35 1.25 -1.93 0.00 0.00 178.83 179.17 2f77 h LEU 15 N 1.02 0.76 -1.21 -2.39 5.85 0.16 -2.02 115.31 117.49 2f77 h LEU 15 Ca 0.25 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2f77 h LEU 15 Cb 0.12 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2f77 h LEU 15 CO -0.03 0.62 0.42 0.50 -0.34 0.00 0.00 178.44 179.60 2f77 h LYS 16 N 0.84 0.96 -0.24 1.25 3.64 -0.41 0.40 116.57 123.01 2f77 h LYS 16 Ca 0.22 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2f77 h LYS 16 Cb 0.01 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 2f77 h LYS 16 CO -0.04 0.68 0.08 1.96 -2.27 0.00 0.00 179.45 179.86 2f77 h GLN 17 N 0.97 0.18 -0.36 1.90 4.20 -0.81 0.44 115.11 121.62 2f77 h GLN 17 Ca 0.25 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.81 2f77 h GLN 17 Cb -0.03 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2f77 h GLN 17 CO -0.05 0.12 -0.33 0.00 -0.67 0.00 0.00 178.83 177.90 2f77 h ALA 18 N 1.16 0.72 -0.71 3.87 0.00 -1.16 -2.57 119.26 120.56 2f77 h ALA 18 Ca 0.11 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2f77 h ALA 18 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2f77 h ALA 18 CO -0.12 0.66 0.20 1.25 0.00 0.00 0.00 179.25 181.24 2f77 h LEU 19 N 0.69 1.06 -1.01 0.00 5.85 -0.32 -2.44 115.31 119.14 2f77 h LEU 19 Ca 0.07 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 2f77 h LEU 19 Cb 0.89 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2f77 h LEU 19 CO 0.08 1.01 0.29 0.50 -0.34 0.00 0.00 178.44 179.98 2f77 h LYS 20 N 1.07 1.00 0.00 1.25 3.64 0.01 -0.37 116.57 123.17 2f77 h LYS 20 Ca 0.23 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2f77 h LYS 20 Cb 0.34 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2f77 h LYS 20 CO -0.00 0.80 0.00 0.25 -2.27 0.00 0.00 179.45 178.23 2f77 n THR 21 N -4.31 1.10 0.90 1.00 -2.24 -0.93 -0.74 114.28 109.06 2f77 n THR 21 Ca 0.06 0.50 0.09 0.00 -2.27 0.00 0.00 64.05 62.43 2f77 n THR 21 Cb 0.16 -1.45 0.27 0.00 -2.10 0.00 0.00 70.33 67.21 2f77 n THR 21 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2f77 n ARG 22 N -2.08 1.90 -0.95 -0.78 1.74 -0.15 -4.87 116.66 111.47 2f77 n ARG 22 Ca 0.00 -1.37 0.00 0.00 -0.77 0.00 0.00 57.85 55.71 2f77 n ARG 22 Cb 0.11 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2f77 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f77 n GLY 23 N 1.17 1.05 3.30 -0.13 0.00 0.08 -5.08 105.19 105.58 2f77 n GLY 23 Ca 0.15 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2f77 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f77 s VAL 24 N -2.32 2.40 -0.34 1.61 1.01 -1.10 -5.03 120.40 116.63 2f77 s VAL 24 Ca 0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 2f77 s VAL 24 Cb 0.00 -1.92 0.11 0.00 0.00 0.00 0.00 36.38 34.57 2f77 s VAL 24 CO 0.00 0.56 0.14 -0.54 0.00 0.00 0.00 175.10 175.26 2f77 s LYS 25 N 0.02 0.83 0.12 2.72 1.02 -1.26 -4.25 119.74 118.95 2f77 s LYS 25 Ca -0.08 -1.31 0.02 0.00 0.02 0.00 0.00 55.97 54.62 2f77 s LYS 25 Cb -0.15 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 2f77 s LYS 25 CO 0.05 -1.05 -0.04 0.14 -0.92 0.00 0.00 175.35 173.54 2f77 s VAL 26 N 1.28 0.65 0.38 3.17 -7.23 -1.26 -5.08 120.40 112.31 2f77 s VAL 26 Ca 0.12 -1.95 -0.25 0.00 -1.81 0.00 0.00 61.98 58.10 2f77 s VAL 26 Cb -0.19 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 34.81 2f77 s VAL 26 CO -0.17 -0.72 1.06 -0.54 -0.31 0.00 0.00 175.10 174.41 2f77 s LYS 27 N -3.87 4.24 0.29 4.82 1.02 -1.26 -4.93 119.74 120.05 2f77 s LYS 27 Ca 0.16 1.56 -0.01 0.00 0.02 0.00 0.00 55.97 57.70 2f77 s LYS 27 Cb 0.06 -2.65 0.43 0.00 -0.52 0.00 0.00 37.83 35.15 2f77 s LYS 27 CO -0.02 -0.08 1.89 -0.92 -0.92 0.00 0.00 175.35 175.31 2f77 h TYR 28 N 2.72 0.93 -0.65 3.18 3.20 -2.01 -1.66 116.97 122.67 2f77 h TYR 28 Ca -0.48 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.47 2f77 h TYR 28 Cb 1.21 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 2f77 h TYR 28 CO 0.58 0.68 0.43 0.00 -1.64 0.00 0.00 178.16 178.21 2f77 h ALA 29 N 1.41 2.05 -0.69 1.82 0.00 -1.98 0.17 119.26 122.05 2f77 h ALA 29 Ca 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2f77 h ALA 29 Cb 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2f77 h ALA 29 CO -0.03 -0.21 0.26 -0.44 0.00 0.00 0.00 179.25 178.84 2f77 h ASP 30 N 0.41 0.94 -0.58 0.00 3.32 -1.68 -1.44 116.42 117.39 2f77 h ASP 30 Ca 0.30 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2f77 h ASP 30 Cb 0.64 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2f77 h ASP 30 CO -0.09 0.85 0.34 -0.07 -1.72 0.00 0.00 179.24 178.55 2f77 h LEU 31 N 1.00 0.70 -0.59 1.55 -0.00 -0.98 -0.14 115.31 116.84 2f77 h LEU 31 Ca 0.23 -0.07 -0.05 0.00 -0.00 0.00 0.00 57.88 57.99 2f77 h LEU 31 Cb 0.21 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 2f77 h LEU 31 CO -0.02 0.56 0.17 -0.07 -0.00 0.00 0.00 178.44 179.09 2f77 h LEU 32 N 0.78 0.87 -1.00 1.67 3.38 -1.26 -2.57 115.31 117.17 2f77 h LEU 32 Ca 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2f77 h LEU 32 Cb 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2f77 h LEU 32 CO -0.04 0.85 0.30 0.11 0.09 0.00 0.00 178.44 179.75 2f77 h LYS 33 N 0.84 1.01 -0.07 1.13 1.57 -0.79 -1.65 116.57 118.61 2f77 h LYS 33 Ca 0.19 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2f77 h LYS 33 Cb 0.30 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2f77 h LYS 33 CO -0.00 0.81 -0.02 0.35 -0.57 0.00 0.00 179.45 180.02 2f77 h PHE 34 N 1.00 -0.05 -0.66 -1.35 3.57 -0.65 0.22 116.94 119.03 2f77 h PHE 34 Ca 0.24 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 2f77 h PHE 34 Cb 0.16 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2f77 h PHE 34 CO 0.01 -0.04 0.30 0.74 -2.23 0.00 0.00 178.31 177.10 2f77 h PHE 35 N -0.01 0.97 -0.76 0.41 0.04 -1.21 -1.25 116.94 115.13 2f77 h PHE 35 Ca 0.03 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2f77 h PHE 35 Cb 0.06 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 2f77 h PHE 35 CO -0.13 0.73 0.28 0.22 -0.60 0.00 0.00 178.31 178.82 2f77 h ASP 36 N 0.92 1.07 -0.34 2.17 1.82 -0.85 -1.24 116.42 119.96 2f77 h ASP 36 Ca 0.22 -0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 2f77 h ASP 36 Cb 0.15 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 2f77 h ASP 36 CO -0.03 0.96 0.09 0.15 -1.61 0.00 0.00 179.24 178.80 2f77 h PHE 37 N 1.11 0.57 -0.22 0.28 3.57 -0.07 0.19 116.94 122.38 2f77 h PHE 37 Ca 0.25 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2f77 h PHE 37 Cb 0.24 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2f77 h PHE 37 CO 0.02 0.57 0.13 0.28 -2.23 0.00 0.00 178.31 177.08 2f77 h VAL 38 N 0.40 1.11 -0.24 1.41 2.07 -0.97 -1.28 116.25 118.75 2f77 h VAL 38 Ca 0.11 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 2f77 h VAL 38 Cb 0.29 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2f77 h VAL 38 CO -0.00 0.10 -0.11 0.11 0.02 0.00 0.00 177.57 177.69 2f77 h LYS 39 N 0.26 0.39 0.00 1.57 1.57 -1.09 -1.57 116.57 117.71 2f77 h LYS 39 Ca 0.08 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2f77 h LYS 39 Cb 0.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2f77 h LYS 39 CO -0.01 0.52 0.00 -0.44 -0.57 0.00 0.00 179.45 178.94 2f77 h ASP 40 N 0.37 0.00 0.46 0.86 3.32 0.01 -2.69 116.42 118.75 2f77 h ASP 40 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2f77 h ASP 40 Cb 0.43 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2f77 h ASP 40 CO 0.02 0.00 -0.46 0.74 -1.72 0.00 0.00 179.24 177.82 2f77 h THR 41 N 0.00 0.00 0.00 0.35 2.02 -0.19 -2.93 112.91 112.16 2f77 h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2f77 h THR 41 Cb 0.49 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2f77 h THR 41 CO 0.00 0.00 -0.61 0.00 0.37 0.00 0.00 175.52 175.28 2f77 h PRO 43 N -0.61 -0.00 0.00 0.00 0.11 -1.70 -3.43 132.00 126.37 2f77 h PRO 43 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2f77 h PRO 43 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2f77 h PRO 43 CO 0.00 -0.00 0.00 0.91 -0.21 0.00 0.00 178.00 178.70 2f77 n TRP 44 N -5.59 0.00 0.00 0.65 8.01 -1.13 -5.01 117.44 114.37 2f77 n TRP 44 Ca 0.14 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.33 2f77 n TRP 44 Cb 0.47 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.77 2f77 n TRP 44 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 2f77 n PHE 45 N 0.00 0.00 0.02 -5.99 -0.00 -1.11 -4.27 117.46 106.11 2f77 n PHE 45 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.54 2f77 n PHE 45 Cb 0.00 0.00 0.52 0.00 -0.00 0.00 0.00 39.48 40.00 2f77 n PHE 45 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2f77 h PRO 46 N 0.00 0.33 -6.46 -7.13 0.11 -1.98 -3.42 132.00 113.44 2f77 h PRO 46 Ca 0.00 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.55 2f77 h PRO 46 Cb 0.00 -0.07 0.04 0.00 0.11 0.00 0.00 31.00 31.07 2f77 h PRO 46 CO 0.00 0.22 1.11 1.04 -0.21 0.00 0.00 178.00 180.16 2f77 n GLN 47 N -4.48 2.71 -4.07 1.05 6.02 -1.26 -4.97 117.38 112.39 2f77 n GLN 47 Ca 0.05 0.99 -0.08 0.00 -0.01 0.00 0.00 57.00 57.95 2f77 n GLN 47 Cb 0.24 -2.88 -0.09 0.00 1.02 0.00 0.00 30.24 28.52 2f77 n GLN 47 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2f77 s GLU 48 N 3.05 0.75 0.11 -1.09 2.02 -1.26 -5.03 118.70 117.25 2f77 s GLU 48 Ca 0.84 -1.24 -0.26 0.00 0.02 0.00 0.00 54.97 54.33 2f77 s GLU 48 Cb -0.51 0.24 0.08 0.00 0.10 0.00 0.00 34.13 34.04 2f77 s GLU 48 CO 0.40 -0.18 1.01 0.20 0.02 0.00 0.00 175.26 176.70 2f77 s GLY 49 N -2.95 -0.27 0.32 -1.39 0.00 -1.26 -5.13 107.32 96.64 2f77 s GLY 49 Ca 0.12 0.28 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 2f77 s GLY 49 CO -0.07 0.05 1.41 -1.59 0.00 0.00 0.00 173.10 172.90 2f77 s THR 50 N -3.14 2.46 -0.04 0.90 2.01 -1.26 -5.01 115.64 111.56 2f77 s THR 50 Ca 0.12 0.43 0.04 0.00 0.31 0.00 0.00 61.69 62.60 2f77 s THR 50 Cb -0.00 -3.28 -0.00 0.00 0.01 0.00 0.00 72.50 69.22 2f77 s THR 50 CO 0.01 0.09 -0.17 -0.51 -0.69 0.00 0.00 174.62 173.35 2f77 s ILE 51 N -0.79 1.41 0.22 1.82 -1.16 -1.26 -5.06 121.20 116.38 2f77 s ILE 51 Ca 0.53 -0.71 -0.30 0.00 -0.51 0.00 0.00 60.65 59.67 2f77 s ILE 51 Cb -0.43 -1.21 -0.09 0.00 0.61 0.00 0.00 42.46 41.35 2f77 s ILE 51 CO 0.53 0.41 1.21 -1.81 -2.81 0.00 0.00 174.94 172.47 2f77 s ASP 52 N -0.01 7.05 0.46 4.50 1.01 -1.26 -4.90 116.67 123.51 2f77 s ASP 52 Ca -0.03 2.32 0.24 0.00 0.71 0.00 0.00 52.55 55.80 2f77 s ASP 52 Cb -0.11 -2.62 1.05 0.00 1.01 0.00 0.00 42.92 42.26 2f77 s ASP 52 CO 0.02 -0.38 1.89 0.40 0.21 0.00 0.00 175.17 177.31 2f77 h ILE 53 N 3.56 0.59 -0.60 0.77 2.04 -2.00 -2.79 117.51 119.09 2f77 h ILE 53 Ca -0.45 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 64.33 2f77 h ILE 53 Cb 1.21 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 2f77 h ILE 53 CO 0.73 0.21 0.06 0.11 0.00 0.00 0.00 178.15 179.26 2f77 h LYS 54 N 0.00 1.01 0.00 2.37 1.79 -2.02 -2.42 116.57 117.30 2f77 h LYS 54 Ca -0.00 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2f77 h LYS 54 Cb 0.64 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2f77 h LYS 54 CO 0.03 0.95 -0.05 0.35 -1.08 0.00 0.00 179.45 179.65 2f77 h PHE 55 N 0.94 0.00 -0.90 -1.35 3.04 -1.90 -3.27 116.94 113.50 2f77 h PHE 55 Ca 0.18 0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.27 2f77 h PHE 55 Cb 0.46 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.90 2f77 h PHE 55 CO 0.03 0.00 0.58 2.35 -2.02 0.00 0.00 178.31 179.25 2f77 h TRP 56 N 0.00 0.85 -0.90 0.41 7.01 -1.18 0.35 115.95 122.49 2f77 h TRP 56 Ca 0.00 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2f77 h TRP 56 Cb 0.89 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.64 2f77 h TRP 56 CO 0.00 0.31 0.50 0.00 -2.79 0.00 0.00 178.44 176.46 2f77 h ARG 57 N 0.71 1.25 -0.58 2.65 3.08 -1.67 -1.61 114.38 118.22 2f77 h ARG 57 Ca 0.45 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.26 2f77 h ARG 57 Cb 0.71 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2f77 h ARG 57 CO -0.21 0.91 -0.02 0.00 -1.07 0.00 0.00 179.97 179.58 2f77 h ARG 58 N 1.26 1.04 -0.38 0.04 3.08 -1.16 -1.87 114.38 116.40 2f77 h ARG 58 Ca 0.32 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2f77 h ARG 58 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2f77 h ARG 58 CO -0.05 1.04 0.21 0.28 -1.07 0.00 0.00 179.97 180.38 2f77 h VAL 59 N 0.93 1.14 -0.54 2.04 2.07 -0.83 0.18 116.25 121.24 2f77 h VAL 59 Ca 0.16 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2f77 h VAL 59 Cb 0.58 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2f77 h VAL 59 CO 0.03 0.14 0.31 1.23 0.02 0.00 0.00 177.57 179.30 2f77 h GLY 60 N 0.49 0.80 1.08 2.17 0.00 -1.15 0.28 103.07 106.75 2f77 h GLY 60 Ca 0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 2f77 h GLY 60 CO -0.02 0.34 0.05 -0.55 0.00 0.00 0.00 176.54 176.36 2f77 h ASP 61 N 0.73 1.06 0.22 0.19 3.32 -1.00 0.23 116.42 121.16 2f77 h ASP 61 Ca 0.19 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2f77 h ASP 61 Cb 0.03 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.30 2f77 h ASP 61 CO -0.03 1.08 -0.11 0.00 -1.72 0.00 0.00 179.24 178.46 2f77 h PHE 63 N -0.71 0.92 -0.72 0.00 -1.00 -0.43 -1.86 116.94 113.15 2f77 h PHE 63 Ca -0.03 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.75 2f77 h PHE 63 Cb 0.49 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 2f77 h PHE 63 CO 0.04 0.65 0.47 0.37 -1.61 0.00 0.00 178.31 178.24 2f77 h GLN 64 N 0.93 0.90 -0.39 1.51 4.15 -0.54 -0.67 115.11 120.99 2f77 h GLN 64 Ca 0.24 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 2f77 h GLN 64 Cb 0.02 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 2f77 h GLN 64 CO -0.04 0.59 0.17 -0.44 -1.93 0.00 0.00 178.83 177.18 2f77 h ASP 65 N 0.92 0.54 -0.48 -0.69 3.32 -0.45 -1.69 116.42 117.89 2f77 h ASP 65 Ca 0.27 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 2f77 h ASP 65 Cb -0.03 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2f77 h ASP 65 CO -0.07 0.54 0.01 1.88 -1.72 0.00 0.00 179.24 179.88 2f77 h TYR 66 N 0.49 0.96 0.35 4.55 0.05 -0.95 -0.47 116.97 121.95 2f77 h TYR 66 Ca 0.13 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 2f77 h TYR 66 Cb 0.17 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.65 2f77 h TYR 66 CO -0.00 0.87 -0.17 -0.92 -1.05 0.00 0.00 178.16 176.88 2f77 h TYR 67 N 0.83 -0.44 -0.71 4.88 3.20 -0.77 0.24 116.97 124.21 2f77 h TYR 67 Ca 0.16 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2f77 h TYR 67 Cb 0.48 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 2f77 h TYR 67 CO 0.03 -0.27 0.26 -0.91 -1.64 0.00 0.00 178.16 175.63 2f77 h ASN 68 N -0.48 0.98 -0.01 -2.11 2.35 -1.22 1.96 115.58 117.06 2f77 h ASN 68 Ca -0.05 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2f77 h ASN 68 Cb 0.37 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 2f77 h ASN 68 CO 0.08 0.89 0.00 0.74 -1.65 0.00 0.00 177.43 177.49 2f77 h THR 69 N 1.04 1.17 0.00 2.81 2.02 -0.74 -3.40 112.91 115.80 2f77 h THR 69 Ca 0.24 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 2f77 h THR 69 Cb 0.23 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2f77 h THR 69 CO -0.02 0.13 -1.09 0.49 0.37 0.00 0.00 175.52 175.41 2f77 n PHE 70 N -4.98 0.00 0.00 3.16 3.72 0.82 -5.08 117.46 115.10 2f77 n PHE 70 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2f77 n PHE 70 Cb 0.13 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 2f77 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f77 n GLY 71 N 2.72 0.87 0.30 1.37 0.00 0.66 -4.83 105.19 106.29 2f77 n GLY 71 Ca -0.10 -1.97 0.20 0.00 0.00 0.00 0.00 46.02 44.14 2f77 n GLY 71 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2f77 h PRO 72 N 4.21 0.00 0.17 1.61 0.11 -1.78 -3.14 132.00 133.18 2f77 h PRO 72 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2f77 h PRO 72 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2f77 h PRO 72 CO 0.00 0.00 -0.27 0.93 -0.21 0.00 0.00 178.00 178.45 2f77 h GLU 73 N 0.00 -0.49 -0.46 1.05 5.08 -1.94 1.95 114.58 119.77 2f77 h GLU 73 Ca 0.00 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2f77 h GLU 73 Cb 0.27 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2f77 h GLU 73 CO 0.00 -0.33 -0.05 0.87 -1.00 0.00 0.00 179.01 178.50 2f77 h LYS 74 N -0.51 0.80 -2.24 2.33 1.79 -1.89 -3.36 116.57 113.49 2f77 h LYS 74 Ca 0.02 -0.24 -0.55 0.00 -2.18 0.00 0.00 60.65 57.70 2f77 h LYS 74 Cb 0.51 -0.08 -0.36 0.00 -1.58 0.00 0.00 32.23 30.72 2f77 h LYS 74 CO -0.12 0.84 -0.93 0.14 -1.08 0.00 0.00 179.45 178.30 2f77 s VAL 75 N -4.89 0.20 0.86 0.50 -7.23 -0.81 -4.98 120.40 104.05 2f77 s VAL 75 Ca -0.09 -2.48 -0.12 0.00 -1.81 0.00 0.00 61.98 57.47 2f77 s VAL 75 Cb 0.14 -1.13 0.09 0.00 0.56 0.00 0.00 36.38 36.04 2f77 s VAL 75 CO 0.82 -1.12 1.00 -2.65 -0.31 0.00 0.00 175.10 172.84 2f77 n PRO 76 N 2.87 -0.09 0.00 4.82 -0.02 0.66 -4.47 135.00 138.76 2f77 n PRO 76 Ca 0.29 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2f77 n PRO 76 Cb 0.49 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2f77 n PRO 76 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2f77 n VAL 77 N -3.58 0.73 0.07 -1.45 0.24 -1.26 -1.06 118.33 112.02 2f77 n VAL 77 Ca 0.12 0.31 0.03 0.00 -2.04 0.00 0.00 64.34 62.76 2f77 n VAL 77 Cb 0.51 -1.31 0.43 0.00 -1.47 0.00 0.00 33.84 32.00 2f77 n VAL 77 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2f77 h THR 78 N 0.00 1.12 -0.53 3.34 1.35 -1.94 -2.21 112.91 114.03 2f77 h THR 78 Ca 0.00 -0.41 -0.04 0.00 -0.55 0.00 0.00 66.41 65.40 2f77 h THR 78 Cb 0.26 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 2f77 h THR 78 CO 0.00 0.15 0.17 0.00 -0.25 0.00 0.00 175.52 175.59 2f77 h ALA 79 N 1.72 0.70 -0.00 6.62 0.00 -1.41 -0.40 119.26 126.48 2f77 h ALA 79 Ca 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2f77 h ALA 79 Cb 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2f77 h ALA 79 CO -0.01 0.36 0.00 0.74 0.00 0.00 0.00 179.25 180.35 2f77 h PHE 80 N 0.74 0.00 -0.63 0.00 -1.00 -1.61 0.28 116.94 114.72 2f77 h PHE 80 Ca 0.17 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.96 2f77 h PHE 80 Cb 0.28 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 2f77 h PHE 80 CO 0.02 0.11 0.42 0.77 -1.61 0.00 0.00 178.31 178.01 2f77 h SER 81 N -0.10 0.72 -0.62 2.17 0.02 -1.34 0.42 113.55 114.82 2f77 h SER 81 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2f77 h SER 81 Cb 0.10 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2f77 h SER 81 CO -0.00 0.52 0.35 0.22 -1.14 0.00 0.00 176.83 176.78 2f77 h TYR 82 N 0.85 0.84 -0.38 3.45 3.20 -0.81 -2.22 116.97 121.91 2f77 h TYR 82 Ca 0.23 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 2f77 h TYR 82 Cb -0.09 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 37.89 2f77 h TYR 82 CO -0.03 0.60 -0.10 2.35 -1.64 0.00 0.00 178.16 179.34 2f77 h TRP 83 N 0.84 0.71 -0.79 -3.82 2.91 -0.35 -2.61 115.95 112.85 2f77 h TRP 83 Ca 0.22 -0.12 0.06 0.00 1.13 0.00 0.00 58.89 60.19 2f77 h TRP 83 Cb 0.03 -0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 28.43 2f77 h TRP 83 CO -0.01 0.73 0.47 -0.91 -1.03 0.00 0.00 178.44 177.69 2f77 h ASN 84 N 0.61 0.72 -0.56 2.65 2.35 -0.32 0.75 115.58 121.77 2f77 h ASN 84 Ca 0.11 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2f77 h ASN 84 Cb 0.53 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 2f77 h ASN 84 CO 0.03 0.46 0.18 -0.07 -1.65 0.00 0.00 177.43 176.38 2f77 h LEU 85 N 0.85 0.81 -0.72 1.61 3.38 -1.15 -2.65 115.31 117.44 2f77 h LEU 85 Ca 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2f77 h LEU 85 Cb 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2f77 h LEU 85 CO -0.18 0.80 0.37 0.40 0.09 0.00 0.00 178.44 179.91 2f77 h ILE 86 N 0.79 1.23 -0.96 1.22 1.08 -0.97 -1.65 117.51 118.25 2f77 h ILE 86 Ca 0.18 -0.63 0.09 0.00 -0.39 0.00 0.00 64.86 64.11 2f77 h ILE 86 Cb 0.27 0.31 -0.07 0.00 -3.07 0.00 0.00 36.82 34.27 2f77 h ILE 86 CO -0.01 0.27 0.62 0.50 -0.69 0.00 0.00 178.15 178.84 2f77 h LYS 87 N 1.01 1.00 -0.23 2.37 3.64 -0.58 -0.34 116.57 123.43 2f77 h LYS 87 Ca 0.25 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 2f77 h LYS 87 Cb 0.09 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 2f77 h LYS 87 CO -0.03 0.66 -0.53 0.93 -2.27 0.00 0.00 179.45 178.20 2f77 h GLU 88 N 1.03 0.67 -0.28 1.90 5.08 -1.07 0.93 114.58 122.84 2f77 h GLU 88 Ca 0.44 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2f77 h GLU 88 Cb 0.32 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2f77 h GLU 88 CO -0.19 1.03 0.06 -0.07 -1.00 0.00 0.00 179.01 178.84 2f77 h LEU 89 N 0.51 0.42 -0.10 1.33 4.07 -0.28 -0.31 115.31 120.96 2f77 h LEU 89 Ca 0.01 -0.24 -0.24 0.00 0.08 0.00 0.00 57.88 57.49 2f77 h LEU 89 Cb 1.10 -0.11 0.01 0.00 1.08 0.00 0.00 40.66 42.74 2f77 h LEU 89 CO 0.11 0.55 -0.90 0.16 -1.08 0.00 0.00 178.44 177.27 2f77 h ILE 90 N 0.28 1.29 -0.09 1.22 3.07 -1.12 -1.42 117.51 120.73 2f77 h ILE 90 Ca 0.09 -2.12 -0.00 0.00 1.55 0.00 0.00 64.86 64.37 2f77 h ILE 90 Cb 0.30 2.18 -0.00 0.00 -0.27 0.00 0.00 36.82 39.02 2f77 h ILE 90 CO 0.00 0.66 0.06 0.44 -1.05 0.00 0.00 178.15 178.26 2f77 h ASP 91 N 0.45 0.12 -0.29 2.16 3.32 -0.72 -2.93 116.42 118.53 2f77 h ASP 91 Ca -0.09 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 2f77 h ASP 91 Cb 1.54 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.05 2f77 h ASP 91 CO 0.18 0.14 -0.04 0.11 -1.72 0.00 0.00 179.24 177.92 2f77 h LYS 92 N 0.08 0.53 -6.37 3.56 1.57 -1.10 -3.42 116.57 111.41 2f77 h LYS 92 Ca 0.03 -0.19 -0.55 0.00 -1.87 0.00 0.00 60.65 58.08 2f77 h LYS 92 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2f77 h LYS 92 CO -0.01 0.71 0.63 0.21 -0.57 0.00 0.00 179.45 180.42 2f77 s LYS 93 N -4.87 4.40 0.22 3.15 2.20 -0.54 -4.97 119.74 119.34 2f77 s LYS 93 Ca -0.13 1.68 -0.31 0.00 -0.36 0.00 0.00 55.97 56.84 2f77 s LYS 93 Cb 0.08 -3.48 -0.11 0.00 -1.51 0.00 0.00 37.83 32.81 2f77 s LYS 93 CO 0.77 -0.35 1.59 -1.21 -0.36 0.00 0.00 175.35 175.79 2f77 s GLU 94 N 1.75 4.18 0.22 4.03 0.41 -1.26 -4.74 118.70 123.29 2f77 s GLU 94 Ca 0.56 2.47 0.02 0.00 -0.41 0.00 0.00 54.97 57.62 2f77 s GLU 94 Cb -0.26 -3.09 -0.05 0.00 -1.78 0.00 0.00 34.13 28.95 2f77 s GLU 94 CO 0.25 -0.62 0.04 0.54 -0.49 0.00 0.00 175.26 174.97 2f77 s VAL 95 N 0.66 0.74 -0.56 2.63 0.11 -1.26 -5.11 120.40 117.60 2f77 s VAL 95 Ca 0.68 -2.00 0.04 0.00 -2.93 0.00 0.00 61.98 57.77 2f77 s VAL 95 Cb -0.46 -2.40 0.16 0.00 -1.53 0.00 0.00 36.38 32.15 2f77 s VAL 95 CO 0.38 -0.24 0.38 0.21 -3.33 0.00 0.00 175.10 172.49 2f77 s ASN 96 N -3.27 3.73 0.00 3.54 3.84 -1.26 -5.04 114.94 116.48 2f77 s ASN 96 Ca 0.31 -3.31 0.00 0.00 0.21 0.00 0.00 52.86 50.07 2f77 s ASN 96 Cb 0.07 -1.22 0.00 0.00 -0.55 0.00 0.00 41.25 39.54 2f77 s ASN 96 CO 0.09 -0.16 0.00 -2.65 -2.79 0.00 0.00 177.10 171.59 2f77 n PRO 97 N 2.64 1.77 -0.23 0.43 -0.02 -1.22 -4.84 135.00 133.54 2f77 n PRO 97 Ca 0.18 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.58 2f77 n PRO 97 Cb 0.37 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.89 2f77 n PRO 97 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2f77 h GLN 98 N 0.00 1.07 -4.74 -0.52 4.20 -2.01 -3.42 115.11 109.69 2f77 h GLN 98 Ca 0.00 -0.30 -0.52 0.00 0.06 0.00 0.00 58.65 57.89 2f77 h GLN 98 Cb 0.00 -0.12 -0.33 0.00 0.30 0.00 0.00 27.48 27.33 2f77 h GLN 98 CO 0.00 1.00 -0.82 0.08 -0.67 0.00 0.00 178.83 178.42 2f77 s VAL 99 N -5.17 1.21 0.00 -0.54 1.01 -1.26 -5.27 120.40 110.37 2f77 s VAL 99 Ca -0.12 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2f77 s VAL 99 Cb 0.14 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2f77 s VAL 99 CO 0.85 0.37 0.00 0.23 0.00 0.00 0.00 175.10 176.54