#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 0.62 3.29 3.03 0.00 -1.26 -4.96 105.19 105.91 2f77 n GLY 2 Ca 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.73 1.19 0.28 1.61 -1.52 -1.26 -5.10 119.66 113.13 2f77 s GLN 3 Ca 0.00 -1.53 -0.30 0.00 -1.95 0.00 0.00 55.36 51.57 2f77 s GLN 3 Cb 0.00 -0.75 -0.12 0.00 -0.22 0.00 0.00 33.01 31.92 2f77 s GLN 3 CO 0.00 0.07 1.62 0.39 -0.25 0.00 0.00 175.29 177.12 2f77 n GLU 4 N -0.29 2.74 -3.08 2.91 -0.58 -1.26 -4.93 120.64 116.16 2f77 n GLU 4 Ca -0.09 0.98 -0.44 0.00 -0.42 0.00 0.00 57.16 57.19 2f77 n GLU 4 Cb 0.61 -2.77 -0.04 0.00 -0.57 0.00 0.00 31.44 28.66 2f77 n GLU 4 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2f77 s LEU 5 N -0.27 5.27 0.85 -4.62 1.43 -1.26 -4.99 118.68 115.09 2f77 s LEU 5 Ca 0.65 -1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 2f77 s LEU 5 Cb -0.49 -2.32 0.11 0.00 0.03 0.00 0.00 46.19 43.52 2f77 s LEU 5 CO 0.46 -1.15 1.21 -0.94 0.23 0.00 0.00 176.35 176.15 2f77 s SER 6 N 3.63 4.13 0.23 2.29 1.04 -1.26 -4.73 113.70 119.03 2f77 s SER 6 Ca 0.13 0.69 -0.06 0.00 0.48 0.00 0.00 55.95 57.19 2f77 s SER 6 Cb -0.23 -1.09 0.35 0.00 0.10 0.00 0.00 66.02 65.15 2f77 s SER 6 CO 0.06 -2.13 1.81 1.56 0.98 0.00 0.00 173.24 175.52 2f77 h GLN 7 N -1.22 0.73 -0.34 4.02 4.20 -1.99 0.17 115.11 120.69 2f77 h GLN 7 Ca -0.46 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.15 2f77 h GLN 7 Cb 1.31 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 2f77 h GLN 7 CO 0.60 0.48 -0.01 1.25 -0.67 0.00 0.00 178.83 180.48 2f77 h HIS 8 N 0.75 0.66 -0.27 2.96 2.76 -2.00 -1.65 115.15 118.36 2f77 h HIS 8 Ca 0.37 -0.12 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2f77 h HIS 8 Cb 0.31 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2f77 h HIS 8 CO -0.07 0.72 -0.01 0.93 -1.30 0.00 0.00 177.93 178.21 2f77 h GLU 9 N 0.41 0.40 -0.32 5.26 5.08 -1.67 -2.35 114.58 121.39 2f77 h GLU 9 Ca 0.09 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 2f77 h GLU 9 Cb 0.47 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2f77 h GLU 9 CO 0.02 0.44 -0.47 0.00 -1.00 0.00 0.00 179.01 177.99 2f77 h ARG 10 N 0.39 0.87 -0.09 2.33 3.08 -0.39 -0.88 114.38 119.68 2f77 h ARG 10 Ca 0.09 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2f77 h ARG 10 Cb 0.27 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 2f77 h ARG 10 CO 0.01 1.14 0.06 -0.92 -1.07 0.00 0.00 179.97 179.19 2f77 h TYR 11 N 0.68 0.11 -0.18 3.04 3.20 -0.78 -1.15 116.97 121.89 2f77 h TYR 11 Ca 0.04 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.79 2f77 h TYR 11 Cb 1.06 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 2f77 h TYR 11 CO 0.06 0.07 -0.40 -0.39 -1.64 0.00 0.00 178.16 175.86 2f77 h VAL 12 N 0.12 1.30 -0.71 1.81 -1.51 -1.48 -2.75 116.25 113.04 2f77 h VAL 12 Ca 0.03 -1.54 0.02 0.00 -1.23 0.00 0.00 66.70 63.99 2f77 h VAL 12 Cb -0.01 1.61 -0.04 0.00 -2.13 0.00 0.00 31.29 30.71 2f77 h VAL 12 CO -0.01 0.47 0.46 -0.08 -1.23 0.00 0.00 177.57 177.18 2f77 h GLU 13 N 0.34 0.88 -0.27 5.19 4.81 -0.61 -1.05 114.58 123.87 2f77 h GLU 13 Ca 0.03 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2f77 h GLU 13 Cb 0.85 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2f77 h GLU 13 CO 0.07 0.58 -0.14 0.37 -0.73 0.00 0.00 179.01 179.16 2f77 h GLN 14 N 0.91 0.47 -0.74 1.92 4.15 -1.03 -2.45 115.11 118.33 2f77 h GLN 14 Ca 0.27 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2f77 h GLN 14 Cb -0.03 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 2f77 h GLN 14 CO -0.09 0.60 0.33 1.25 -1.93 0.00 0.00 178.83 178.99 2f77 h LEU 15 N 0.43 0.99 -0.94 -2.39 5.85 -0.94 -2.32 115.31 115.98 2f77 h LEU 15 Ca 0.08 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2f77 h LEU 15 Cb 0.50 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 2f77 h LEU 15 CO 0.03 0.87 0.58 0.50 -0.34 0.00 0.00 178.44 180.09 2f77 h LYS 16 N 1.05 1.27 -0.55 1.25 3.64 -0.84 -0.85 116.57 121.54 2f77 h LYS 16 Ca 0.25 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2f77 h LYS 16 Cb 0.16 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 2f77 h LYS 16 CO -0.03 0.87 0.30 1.96 -2.27 0.00 0.00 179.45 180.29 2f77 h GLN 17 N 1.29 0.56 -0.63 1.90 4.20 -1.14 0.33 115.11 121.61 2f77 h GLN 17 Ca 0.34 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.93 2f77 h GLN 17 Cb -0.08 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 2f77 h GLN 17 CO -0.07 0.37 0.05 0.00 -0.67 0.00 0.00 178.83 178.51 2f77 h ALA 18 N 1.28 0.88 -0.57 3.87 0.00 -1.10 -2.63 119.26 120.99 2f77 h ALA 18 Ca 0.24 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2f77 h ALA 18 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2f77 h ALA 18 CO -0.15 0.67 0.01 -0.07 0.00 0.00 0.00 179.25 179.71 2f77 h LEU 19 N 1.00 0.95 -0.73 0.00 3.38 -0.24 -2.66 115.31 117.02 2f77 h LEU 19 Ca 0.19 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2f77 h LEU 19 Cb 0.51 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2f77 h LEU 19 CO 0.02 1.00 0.45 0.50 0.09 0.00 0.00 178.44 180.51 2f77 h LYS 20 N 0.90 0.84 -0.11 1.13 3.64 -0.08 -0.24 116.57 122.65 2f77 h LYS 20 Ca 0.17 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2f77 h LYS 20 Cb 0.51 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2f77 h LYS 20 CO 0.03 0.55 -0.08 1.79 -2.27 0.00 0.00 179.45 179.47 2f77 h THR 21 N 0.86 1.13 0.00 1.00 1.35 -1.17 -0.21 112.91 115.87 2f77 h THR 21 Ca 0.30 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2f77 h THR 21 Cb 0.06 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2f77 h THR 21 CO -0.13 0.17 0.00 0.03 -0.25 0.00 0.00 175.52 175.34 2f77 h ARG 22 N 0.16 0.00 0.00 4.72 3.08 -0.73 -3.45 114.38 118.16 2f77 h ARG 22 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2f77 h ARG 22 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2f77 h ARG 22 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 2f77 n GLY 23 N 0.26 0.90 3.25 0.04 0.00 -0.10 -5.11 105.19 104.42 2f77 n GLY 23 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.77 2.22 -0.33 1.61 1.01 -0.99 -4.98 120.40 118.17 2f77 s VAL 24 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2f77 s VAL 24 Cb 0.00 -1.86 0.11 0.00 0.00 0.00 0.00 36.38 34.63 2f77 s VAL 24 CO 0.00 0.56 0.11 -0.54 0.00 0.00 0.00 175.10 175.23 2f77 s LYS 25 N 0.30 0.89 0.10 2.72 -0.14 -1.26 -4.28 119.74 118.06 2f77 s LYS 25 Ca -0.16 -1.31 0.02 0.00 -1.36 0.00 0.00 55.97 53.15 2f77 s LYS 25 Cb -0.17 -2.18 -0.04 0.00 -1.68 0.00 0.00 37.83 33.75 2f77 s LYS 25 CO 0.08 -1.01 -0.06 0.14 -0.76 0.00 0.00 175.35 173.74 2f77 s VAL 26 N 1.34 0.67 0.36 3.17 -7.23 -1.26 -5.05 120.40 112.41 2f77 s VAL 26 Ca 0.11 -1.93 -0.26 0.00 -1.81 0.00 0.00 61.98 58.09 2f77 s VAL 26 Cb -0.19 -1.69 -0.09 0.00 0.56 0.00 0.00 36.38 34.98 2f77 s VAL 26 CO -0.19 -0.87 1.08 -0.54 -0.31 0.00 0.00 175.10 174.27 2f77 s LYS 27 N -3.84 4.29 0.21 4.82 1.02 -1.26 -4.93 119.74 120.04 2f77 s LYS 27 Ca 0.12 1.64 -0.09 0.00 0.02 0.00 0.00 55.97 57.65 2f77 s LYS 27 Cb 0.05 -2.75 0.15 0.00 -0.52 0.00 0.00 37.83 34.77 2f77 s LYS 27 CO -0.05 -0.06 1.82 1.88 -0.92 0.00 0.00 175.35 178.03 2f77 h TYR 28 N 2.90 1.07 -0.66 3.18 -1.99 -2.01 -1.57 116.97 117.90 2f77 h TYR 28 Ca -0.48 -0.03 0.16 0.00 2.00 0.00 0.00 58.73 60.38 2f77 h TYR 28 Cb 1.22 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 39.57 2f77 h TYR 28 CO 0.58 0.76 0.46 0.00 -0.00 0.00 0.00 178.16 179.95 2f77 h ALA 29 N 1.21 2.38 -0.77 3.88 0.00 -1.93 0.92 119.26 124.95 2f77 h ALA 29 Ca 0.27 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2f77 h ALA 29 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2f77 h ALA 29 CO -0.04 -0.56 0.30 0.22 0.00 0.00 0.00 179.25 179.17 2f77 h ASP 30 N 0.17 1.06 -0.38 0.00 1.82 -1.63 -0.88 116.42 116.58 2f77 h ASP 30 Ca 0.32 -0.16 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 2f77 h ASP 30 Cb 1.02 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.73 2f77 h ASP 30 CO -0.05 0.94 0.18 -0.07 -1.61 0.00 0.00 179.24 178.63 2f77 h LEU 31 N 1.12 0.50 -0.58 2.28 -0.00 -0.83 0.15 115.31 117.95 2f77 h LEU 31 Ca 0.26 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.88 57.98 2f77 h LEU 31 Cb 0.22 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 2f77 h LEU 31 CO -0.02 0.49 0.24 -0.07 -0.00 0.00 0.00 178.44 179.08 2f77 h LEU 32 N 0.48 0.79 -0.78 1.67 3.38 -1.27 -2.28 115.31 117.29 2f77 h LEU 32 Ca 0.13 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2f77 h LEU 32 Cb 0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2f77 h LEU 32 CO -0.02 0.73 0.08 0.11 0.09 0.00 0.00 178.44 179.44 2f77 h LYS 33 N 0.79 1.00 -0.12 1.13 1.57 -0.83 -1.68 116.57 118.44 2f77 h LYS 33 Ca 0.19 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2f77 h LYS 33 Cb 0.18 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2f77 h LYS 33 CO -0.02 0.93 0.01 0.35 -0.57 0.00 0.00 179.45 180.15 2f77 h PHE 34 N 0.94 0.00 -0.48 -1.35 3.57 -0.29 0.14 116.94 119.48 2f77 h PHE 34 Ca 0.19 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2f77 h PHE 34 Cb 0.43 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2f77 h PHE 34 CO 0.03 -0.01 0.20 0.74 -2.23 0.00 0.00 178.31 177.04 2f77 h PHE 35 N 0.05 0.72 -0.75 0.41 0.04 -1.25 -2.20 116.94 113.96 2f77 h PHE 35 Ca 0.05 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2f77 h PHE 35 Cb 0.06 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.96 2f77 h PHE 35 CO -0.13 0.60 0.48 0.22 -0.60 0.00 0.00 178.31 178.88 2f77 h ASP 36 N 0.63 0.87 -0.29 2.17 1.82 -0.88 -1.67 116.42 119.08 2f77 h ASP 36 Ca 0.16 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 2f77 h ASP 36 Cb 0.18 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.96 2f77 h ASP 36 CO -0.01 0.64 0.15 0.15 -1.61 0.00 0.00 179.24 178.56 2f77 h PHE 37 N 1.02 0.40 -0.56 0.28 3.57 -0.18 0.27 116.94 121.75 2f77 h PHE 37 Ca 0.27 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2f77 h PHE 37 Cb -0.10 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 2f77 h PHE 37 CO 0.00 0.34 0.35 0.28 -2.23 0.00 0.00 178.31 177.05 2f77 h VAL 38 N 0.35 1.15 0.00 1.41 2.07 -0.83 -1.08 116.25 119.32 2f77 h VAL 38 Ca 0.10 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 2f77 h VAL 38 Cb 0.07 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2f77 h VAL 38 CO -0.02 0.15 -0.26 0.11 0.02 0.00 0.00 177.57 177.58 2f77 h LYS 39 N 0.75 0.00 0.00 1.57 1.57 -1.02 -2.24 116.57 117.20 2f77 h LYS 39 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2f77 h LYS 39 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2f77 h LYS 39 CO -0.04 0.26 0.00 -0.44 -0.57 0.00 0.00 179.45 178.66 2f77 h ASP 40 N 0.00 0.00 -0.91 0.86 3.32 0.78 -2.32 116.42 118.15 2f77 h ASP 40 Ca -0.00 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.17 2f77 h ASP 40 Cb 0.66 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.13 2f77 h ASP 40 CO 0.03 0.00 0.54 0.74 -1.72 0.00 0.00 179.24 178.83 2f77 h THR 41 N 0.00 0.87 0.00 0.35 2.02 -0.73 -3.30 112.91 112.11 2f77 h THR 41 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2f77 h THR 41 Cb 0.66 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2f77 h THR 41 CO 0.00 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.04 2f77 h PRO 43 N 0.00 0.06 -3.00 0.00 0.11 -1.64 -3.35 132.00 124.17 2f77 h PRO 43 Ca 0.00 -0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.77 2f77 h PRO 43 Cb 0.00 -0.01 -0.37 0.00 0.11 0.00 0.00 31.00 30.73 2f77 h PRO 43 CO 0.00 0.04 -0.67 -1.58 -0.21 0.00 0.00 178.00 175.58 2f77 s TRP 44 N -5.55 -0.10 0.15 0.65 0.51 -1.05 -5.00 118.94 108.55 2f77 s TRP 44 Ca -0.09 0.33 -0.12 0.00 -2.12 0.00 0.00 56.10 54.09 2f77 s TRP 44 Cb 0.33 -0.39 0.02 0.00 -0.81 0.00 0.00 33.47 32.62 2f77 s TRP 44 CO 0.78 -0.37 1.59 0.35 -0.51 0.00 0.00 176.95 178.80 2f77 h PHE 45 N 8.38 0.98 -3.66 -1.98 3.57 -1.70 -3.37 116.94 119.16 2f77 h PHE 45 Ca -0.14 -0.18 -0.53 0.00 3.53 0.00 0.00 57.97 60.65 2f77 h PHE 45 Cb 1.13 -0.25 0.09 0.00 2.79 0.00 0.00 35.95 39.71 2f77 h PHE 45 CO 0.33 0.93 0.82 -2.14 -2.23 0.00 0.00 178.31 176.02 2f77 s PRO 46 N -4.96 4.13 0.09 6.41 0.02 -1.26 -4.92 135.00 134.50 2f77 s PRO 46 Ca -0.12 2.56 0.09 0.00 0.02 0.00 0.00 61.00 63.55 2f77 s PRO 46 Cb 0.12 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 2f77 s PRO 46 CO 0.83 -0.56 -0.22 -0.65 -0.33 0.00 0.00 177.00 176.06 2f77 s GLN 47 N -1.34 1.76 0.05 5.54 -0.21 -1.26 -4.89 119.66 119.30 2f77 s GLN 47 Ca 0.57 -1.16 -0.02 0.00 0.02 0.00 0.00 55.36 54.77 2f77 s GLN 47 Cb -0.47 -2.05 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 2f77 s GLN 47 CO 0.56 0.49 0.01 -1.21 -2.12 0.00 0.00 175.29 173.02 2f77 s GLU 48 N -1.78 0.57 0.00 2.91 2.02 -1.26 -5.11 118.70 116.05 2f77 s GLU 48 Ca 0.15 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.14 2f77 s GLU 48 Cb -0.10 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.33 2f77 s GLU 48 CO 0.06 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2f77 n GLY 49 N 0.49 -0.46 3.36 -1.39 0.00 -1.26 -4.95 105.19 100.98 2f77 n GLY 49 Ca -0.17 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 2f77 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f77 s THR 50 N -2.57 2.98 0.06 2.61 2.01 -1.26 -5.10 115.64 114.37 2f77 s THR 50 Ca 0.00 -0.69 -0.23 0.00 0.31 0.00 0.00 61.69 61.08 2f77 s THR 50 Cb 0.00 -2.25 -0.06 0.00 0.01 0.00 0.00 72.50 70.20 2f77 s THR 50 CO 0.00 0.53 0.71 -0.63 -0.69 0.00 0.00 174.62 174.54 2f77 s ILE 51 N 0.37 4.71 0.17 1.82 -1.09 -1.26 -4.91 121.20 121.00 2f77 s ILE 51 Ca -0.11 1.52 -0.29 0.00 -2.23 0.00 0.00 60.65 59.53 2f77 s ILE 51 Cb -0.16 -4.06 -0.07 0.00 -1.58 0.00 0.00 42.46 36.59 2f77 s ILE 51 CO 0.06 0.42 0.92 -1.81 -1.23 0.00 0.00 174.94 173.30 2f77 s ASP 52 N -0.37 7.54 0.60 3.58 1.01 -1.26 -4.92 116.67 122.85 2f77 s ASP 52 Ca 0.35 1.83 0.33 0.00 0.71 0.00 0.00 52.55 55.77 2f77 s ASP 52 Cb -0.20 -2.58 1.90 0.00 1.01 0.00 0.00 42.92 43.05 2f77 s ASP 52 CO 0.22 0.07 2.25 0.40 0.21 0.00 0.00 175.17 178.31 2f77 h ILE 53 N 3.58 0.39 -0.66 0.77 2.04 -2.00 -1.33 117.51 120.30 2f77 h ILE 53 Ca -0.44 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.24 2f77 h ILE 53 Cb 1.21 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 2f77 h ILE 53 CO 0.69 0.02 0.14 0.11 0.00 0.00 0.00 178.15 179.11 2f77 h LYS 54 N 0.00 1.07 -0.00 2.37 1.79 -1.98 -2.21 116.57 117.60 2f77 h LYS 54 Ca -0.00 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2f77 h LYS 54 Cb 0.07 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2f77 h LYS 54 CO 0.00 0.96 -0.26 0.34 -1.08 0.00 0.00 179.45 179.41 2f77 n PHE 55 N -4.23 0.00 -0.28 -1.35 -0.00 -0.55 -3.82 117.46 107.23 2f77 n PHE 55 Ca 0.05 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.54 2f77 n PHE 55 Cb 0.27 -0.37 0.25 0.00 -0.00 0.00 0.00 39.48 39.63 2f77 n PHE 55 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.76 179.11 2f77 h TRP 56 N 0.00 1.00 -0.82 -5.13 7.01 -0.86 -0.92 115.95 116.23 2f77 h TRP 56 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2f77 h TRP 56 Cb 0.50 -0.33 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 2f77 h TRP 56 CO 0.00 0.53 0.46 0.00 -2.79 0.00 0.00 178.44 176.64 2f77 h ARG 57 N 1.00 1.14 -0.25 2.65 2.47 -1.68 -0.97 114.38 118.74 2f77 h ARG 57 Ca 0.37 -0.13 -0.15 0.00 -1.26 0.00 0.00 59.98 58.82 2f77 h ARG 57 Cb 0.18 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2f77 h ARG 57 CO -0.13 0.83 -0.46 0.00 0.56 0.00 0.00 179.97 180.77 2f77 h ARG 58 N 1.15 0.64 -0.53 0.04 3.08 -1.44 -2.73 114.38 114.60 2f77 h ARG 58 Ca 0.29 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 2f77 h ARG 58 Cb 0.02 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2f77 h ARG 58 CO -0.05 0.96 0.07 0.28 -1.07 0.00 0.00 179.97 180.17 2f77 h VAL 59 N 0.52 1.25 -0.12 2.04 2.07 -0.63 0.82 116.25 122.20 2f77 h VAL 59 Ca 0.03 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2f77 h VAL 59 Cb 0.99 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2f77 h VAL 59 CO 0.09 0.35 0.08 1.23 0.02 0.00 0.00 177.57 179.34 2f77 h GLY 60 N 0.76 0.17 1.08 2.17 0.00 -1.12 0.28 103.07 106.42 2f77 h GLY 60 Ca 0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 2f77 h GLY 60 CO 0.01 0.07 0.01 -1.80 0.00 0.00 0.00 176.54 174.83 2f77 h ASP 61 N 0.14 1.05 0.34 0.19 1.82 -1.36 0.44 116.42 119.05 2f77 h ASP 61 Ca 0.04 -0.30 -0.02 0.00 -0.39 0.00 0.00 57.03 56.37 2f77 h ASP 61 Cb 0.01 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.74 2f77 h ASP 61 CO -0.01 1.10 -0.16 0.00 -1.61 0.00 0.00 179.24 178.56 2f77 h PHE 63 N -0.68 0.70 -0.79 0.00 -1.00 -0.42 -1.62 116.94 113.13 2f77 h PHE 63 Ca -0.05 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.76 2f77 h PHE 63 Cb 0.48 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.76 2f77 h PHE 63 CO 0.00 0.44 0.52 0.37 -1.61 0.00 0.00 178.31 178.03 2f77 h GLN 64 N 0.76 1.04 -0.68 1.51 4.15 -0.82 -1.08 115.11 119.98 2f77 h GLN 64 Ca 0.21 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.52 2f77 h GLN 64 Cb -0.09 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.34 2f77 h GLN 64 CO -0.05 0.70 0.26 -0.44 -1.93 0.00 0.00 178.83 177.37 2f77 h ASP 65 N 1.07 0.95 -0.48 -0.69 3.32 0.00 -2.26 116.42 118.34 2f77 h ASP 65 Ca 0.29 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 2f77 h ASP 65 Cb -0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 2f77 h ASP 65 CO -0.06 0.87 -0.05 1.88 -1.72 0.00 0.00 179.24 180.16 2f77 h TYR 66 N 0.97 1.02 0.21 4.55 0.05 -0.50 0.51 116.97 123.78 2f77 h TYR 66 Ca 0.23 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2f77 h TYR 66 Cb 0.23 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 2f77 h TYR 66 CO 0.02 0.94 -0.13 -0.92 -1.05 0.00 0.00 178.16 177.02 2f77 h TYR 67 N 0.85 -0.33 -0.01 4.88 3.20 -0.85 -1.40 116.97 123.31 2f77 h TYR 67 Ca 0.15 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 2f77 h TYR 67 Cb 0.57 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2f77 h TYR 67 CO 0.03 -0.20 -0.38 -0.91 -1.64 0.00 0.00 178.16 175.07 2f77 h ASN 68 N -0.32 0.01 -0.17 -2.11 2.35 -1.31 0.62 115.58 114.65 2f77 h ASN 68 Ca -0.02 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2f77 h ASN 68 Cb 0.27 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2f77 h ASN 68 CO 0.02 0.39 0.09 0.74 -1.65 0.00 0.00 177.43 177.02 2f77 h THR 69 N 0.01 1.10 0.00 2.81 2.02 -0.25 -3.41 112.91 115.19 2f77 h THR 69 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2f77 h THR 69 Cb 0.67 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2f77 h THR 69 CO 0.05 0.10 -0.45 0.33 0.37 0.00 0.00 175.52 175.92 2f77 n PHE 70 N -4.92 -0.24 -2.02 3.16 7.35 -0.59 -5.09 117.46 115.12 2f77 n PHE 70 Ca -0.04 0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2f77 n PHE 70 Cb 0.07 0.22 0.00 0.00 0.35 0.00 0.00 39.48 40.13 2f77 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2f77 n GLY 71 N 2.41 -0.06 0.31 7.13 0.00 0.22 -4.90 105.19 110.30 2f77 n GLY 71 Ca 0.00 -1.54 0.17 0.00 0.00 0.00 0.00 46.02 44.65 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 2.65 0.00 -0.25 1.61 0.11 -1.81 -2.86 132.00 131.44 2f77 h PRO 72 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 2f77 h PRO 72 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2f77 h PRO 72 CO 0.00 0.00 -0.18 0.93 -0.21 0.00 0.00 178.00 178.54 2f77 h GLU 73 N 0.00 -0.16 -0.67 1.05 4.39 -1.94 1.98 114.58 119.23 2f77 h GLU 73 Ca -0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2f77 h GLU 73 Cb 0.01 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2f77 h GLU 73 CO 0.00 -0.11 0.34 0.87 -1.16 0.00 0.00 179.01 178.96 2f77 h LYS 74 N -0.17 0.95 -2.22 2.33 1.79 -1.83 -3.36 116.57 114.06 2f77 h LYS 74 Ca 0.14 -0.13 -0.54 0.00 -2.18 0.00 0.00 60.65 57.95 2f77 h LYS 74 Cb 0.38 -0.18 -0.35 0.00 -1.58 0.00 0.00 32.23 30.50 2f77 h LYS 74 CO -0.35 0.73 -0.91 0.14 -1.08 0.00 0.00 179.45 177.98 2f77 s VAL 75 N -5.77 0.15 0.97 0.50 -7.23 -0.44 -4.99 120.40 103.60 2f77 s VAL 75 Ca -0.13 -2.35 -0.11 0.00 -1.81 0.00 0.00 61.98 57.59 2f77 s VAL 75 Cb 0.14 -1.09 0.17 0.00 0.56 0.00 0.00 36.38 36.16 2f77 s VAL 75 CO 0.79 -1.07 1.09 -2.65 -0.31 0.00 0.00 175.10 172.95 2f77 n PRO 76 N 2.99 -0.85 0.00 4.82 -0.02 0.66 -4.59 135.00 138.01 2f77 n PRO 76 Ca 0.27 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2f77 n PRO 76 Cb 0.48 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2f77 n PRO 76 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2f77 n VAL 77 N -4.38 0.94 -0.11 -1.45 0.31 -1.26 -0.78 118.33 111.60 2f77 n VAL 77 Ca 0.10 0.46 0.02 0.00 -0.01 0.00 0.00 64.34 64.91 2f77 n VAL 77 Cb 0.52 -1.46 0.32 0.00 -0.91 0.00 0.00 33.84 32.32 2f77 n VAL 77 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2f77 h THR 78 N 0.00 1.16 -0.72 2.52 1.35 -1.95 -1.88 112.91 113.39 2f77 h THR 78 Ca 0.00 -0.30 0.01 0.00 -0.55 0.00 0.00 66.41 65.57 2f77 h THR 78 Cb 0.45 0.31 -0.04 0.00 -1.73 0.00 0.00 68.15 67.14 2f77 h THR 78 CO 0.00 0.15 0.47 0.00 -0.25 0.00 0.00 175.52 175.89 2f77 h ALA 79 N 1.62 0.91 -0.49 6.62 0.00 -1.26 0.60 119.26 127.27 2f77 h ALA 79 Ca 0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2f77 h ALA 79 Cb -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2f77 h ALA 79 CO -0.04 0.31 0.08 0.74 0.00 0.00 0.00 179.25 180.33 2f77 h PHE 80 N 0.95 0.86 -0.34 0.00 -1.00 -1.55 0.73 116.94 116.59 2f77 h PHE 80 Ca 0.27 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.91 2f77 h PHE 80 Cb -0.09 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.22 2f77 h PHE 80 CO -0.03 0.79 0.15 1.03 -1.61 0.00 0.00 178.31 178.65 2f77 h SER 81 N 0.68 0.46 -0.52 2.17 0.87 -0.89 0.71 113.55 117.03 2f77 h SER 81 Ca 0.15 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 2f77 h SER 81 Cb 0.40 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2f77 h SER 81 CO 0.01 0.48 0.18 1.88 -0.53 0.00 0.00 176.83 178.85 2f77 h TYR 82 N 0.41 0.82 -0.54 2.24 0.05 -0.72 -2.55 116.97 116.68 2f77 h TYR 82 Ca 0.12 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 2f77 h TYR 82 Cb 0.15 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 2f77 h TYR 82 CO -0.01 0.70 0.15 2.35 -1.05 0.00 0.00 178.16 180.30 2f77 h TRP 83 N 0.71 0.84 -0.71 4.88 2.91 -0.58 -1.98 115.95 122.03 2f77 h TRP 83 Ca 0.17 -0.07 0.06 0.00 1.13 0.00 0.00 58.89 60.18 2f77 h TRP 83 Cb 0.25 -0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 28.59 2f77 h TRP 83 CO 0.01 0.69 0.40 -0.91 -1.03 0.00 0.00 178.44 177.61 2f77 h ASN 84 N 0.80 0.61 -0.52 2.65 -0.26 -0.45 0.18 115.58 118.59 2f77 h ASN 84 Ca 0.18 0.03 -0.11 0.00 -0.56 0.00 0.00 56.30 55.84 2f77 h ASN 84 Cb 0.26 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2f77 h ASN 84 CO -0.01 0.39 -0.11 -0.07 -1.06 0.00 0.00 177.43 176.58 2f77 h LEU 85 N 0.74 0.99 -0.69 1.61 3.38 -1.22 -2.76 115.31 117.36 2f77 h LEU 85 Ca 0.32 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2f77 h LEU 85 Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2f77 h LEU 85 CO -0.18 1.11 0.38 0.40 0.09 0.00 0.00 178.44 180.24 2f77 h ILE 86 N 0.85 1.21 -0.71 1.22 1.08 -0.52 -1.27 117.51 119.36 2f77 h ILE 86 Ca 0.13 -0.52 0.03 0.00 -0.39 0.00 0.00 64.86 64.11 2f77 h ILE 86 Cb 0.67 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 2f77 h ILE 86 CO 0.05 0.23 0.44 0.50 -0.69 0.00 0.00 178.15 178.68 2f77 h LYS 87 N 0.94 0.83 0.00 2.37 3.64 -0.53 0.12 116.57 123.95 2f77 h LYS 87 Ca 0.24 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2f77 h LYS 87 Cb 0.03 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2f77 h LYS 87 CO -0.04 0.55 -0.25 0.93 -2.27 0.00 0.00 179.45 178.37 2f77 h GLU 88 N 0.86 0.00 0.01 1.90 5.08 -1.17 -0.57 114.58 120.69 2f77 h GLU 88 Ca 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2f77 h GLU 88 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2f77 h GLU 88 CO -0.12 0.25 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.97 2f77 h LEU 89 N 0.00 0.06 -0.26 1.33 -0.00 0.05 -2.98 115.31 113.51 2f77 h LEU 89 Ca -0.00 -0.95 -0.13 0.00 -0.00 0.00 0.00 57.88 56.79 2f77 h LEU 89 Cb 0.74 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2f77 h LEU 89 CO 0.03 1.01 -0.35 0.16 -0.00 0.00 0.00 178.44 179.29 2f77 h ILE 90 N -0.88 1.31 0.00 1.22 3.07 -0.82 -2.55 117.51 118.86 2f77 h ILE 90 Ca -0.02 -1.54 0.00 0.00 1.55 0.00 0.00 64.86 64.85 2f77 h ILE 90 Cb 1.03 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 39.26 2f77 h ILE 90 CO 0.02 0.49 0.00 -0.90 -1.05 0.00 0.00 178.15 176.71 2f77 n ASP 91 N -4.23 0.00 -0.04 2.16 5.75 -0.23 -2.77 116.55 117.20 2f77 n ASP 91 Ca -0.04 0.46 -0.11 0.00 -0.01 0.00 0.00 54.79 55.08 2f77 n ASP 91 Cb 0.51 -0.48 -0.05 0.00 -1.03 0.00 0.00 41.12 40.07 2f77 n ASP 91 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2f77 h LYS 92 N 0.00 0.23 -5.19 0.11 3.64 -1.28 -3.41 116.57 110.68 2f77 h LYS 92 Ca 0.00 -0.04 -0.66 0.00 -1.27 0.00 0.00 60.65 58.68 2f77 h LYS 92 Cb 0.18 -0.04 -0.29 0.00 -0.41 0.00 0.00 32.23 31.67 2f77 h LYS 92 CO 0.00 0.28 -0.78 0.21 -2.27 0.00 0.00 179.45 176.89 2f77 s LYS 93 N -5.69 3.28 0.01 1.90 2.20 -1.11 -5.08 119.74 115.23 2f77 s LYS 93 Ca -0.14 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 2f77 s LYS 93 Cb 0.07 -2.69 -0.06 0.00 -1.51 0.00 0.00 37.83 33.65 2f77 s LYS 93 CO 0.70 0.02 1.38 -1.21 -0.36 0.00 0.00 175.35 175.88 2f77 s GLU 94 N 0.82 4.30 0.06 4.03 0.41 -1.26 -4.96 118.70 122.09 2f77 s GLU 94 Ca -0.04 1.95 0.01 0.00 -0.41 0.00 0.00 54.97 56.47 2f77 s GLU 94 Cb -0.15 -3.54 -0.03 0.00 -1.78 0.00 0.00 34.13 28.63 2f77 s GLU 94 CO 0.00 -0.55 -0.05 0.54 -0.49 0.00 0.00 175.26 174.71 2f77 s VAL 95 N 2.25 0.41 -0.60 2.63 0.11 -1.26 -5.10 120.40 118.83 2f77 s VAL 95 Ca 0.63 -1.47 0.04 0.00 -2.93 0.00 0.00 61.98 58.26 2f77 s VAL 95 Cb -0.31 -1.06 0.15 0.00 -1.53 0.00 0.00 36.38 33.63 2f77 s VAL 95 CO 0.26 -0.70 0.38 0.21 -3.33 0.00 0.00 175.10 171.92 2f77 s ASN 96 N -2.30 4.39 0.27 3.54 3.84 -1.26 -4.95 114.94 118.46 2f77 s ASN 96 Ca -0.01 -3.40 -0.01 0.00 0.21 0.00 0.00 52.86 49.65 2f77 s ASN 96 Cb -0.01 -1.54 0.54 0.00 -0.55 0.00 0.00 41.25 39.69 2f77 s ASN 96 CO -0.04 -0.16 1.77 -0.65 -2.79 0.00 0.00 177.10 175.23 2f77 h PRO 97 N 5.94 0.65 0.00 0.43 0.11 -1.99 -3.45 132.00 133.69 2f77 h PRO 97 Ca 0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2f77 h PRO 97 Cb 0.83 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2f77 h PRO 97 CO 0.67 0.43 0.00 1.04 -0.21 0.00 0.00 178.00 179.93 2f77 n GLN 98 N -4.84 0.00 -3.88 1.05 6.02 -1.26 -5.06 117.38 109.41 2f77 n GLN 98 Ca 0.17 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.83 2f77 n GLN 98 Cb 0.43 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.56 2f77 n GLN 98 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2f77 s VAL 99 N 0.22 2.90 0.00 5.09 1.01 -1.26 -5.27 120.40 123.09 2f77 s VAL 99 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 61.98 59.29 2f77 s VAL 99 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.38 2f77 s VAL 99 CO 0.00 -0.74 0.00 0.80 0.00 0.00 0.00 175.10 175.16