#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 0.48 3.29 3.03 0.00 -1.26 -4.98 105.19 105.75 2f77 n GLY 2 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.93 1.17 0.34 1.61 -0.21 -1.26 -5.11 119.66 115.27 2f77 s GLN 3 Ca 0.00 -1.48 -0.29 0.00 0.02 0.00 0.00 55.36 53.62 2f77 s GLN 3 Cb 0.00 -0.89 -0.11 0.00 1.00 0.00 0.00 33.01 33.01 2f77 s GLN 3 CO 0.00 0.14 1.48 -1.21 -2.12 0.00 0.00 175.29 173.58 2f77 s GLU 4 N -3.51 4.17 -1.14 2.91 2.02 -1.26 -4.87 118.70 117.02 2f77 s GLU 4 Ca 0.18 2.49 -0.21 0.00 0.02 0.00 0.00 54.97 57.44 2f77 s GLU 4 Cb -0.00 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.24 2f77 s GLU 4 CO 0.04 -0.49 1.70 -0.51 0.02 0.00 0.00 175.26 176.02 2f77 s LEU 5 N -1.52 3.51 0.85 1.80 1.43 -1.26 -4.87 118.68 118.62 2f77 s LEU 5 Ca 0.55 -1.77 -0.13 0.00 -1.03 0.00 0.00 54.13 51.76 2f77 s LEU 5 Cb -0.45 -2.58 0.11 0.00 0.03 0.00 0.00 46.19 43.30 2f77 s LEU 5 CO 0.56 -1.79 1.21 -0.94 0.23 0.00 0.00 176.35 175.62 2f77 s SER 6 N 5.33 4.14 0.24 2.29 1.04 -1.26 -4.65 113.70 120.83 2f77 s SER 6 Ca 0.56 0.62 -0.05 0.00 0.48 0.00 0.00 55.95 57.55 2f77 s SER 6 Cb 0.01 -1.00 0.37 0.00 0.10 0.00 0.00 66.02 65.50 2f77 s SER 6 CO 0.02 -2.12 1.79 -0.61 0.98 0.00 0.00 173.24 173.30 2f77 h GLN 7 N -1.19 0.65 -0.29 4.02 4.15 -1.98 0.59 115.11 121.05 2f77 h GLN 7 Ca -0.45 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 58.84 2f77 h GLN 7 Cb 1.30 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 2f77 h GLN 7 CO 0.58 0.43 -0.17 0.45 -1.93 0.00 0.00 178.83 178.19 2f77 h HIS 8 N 0.67 0.73 -0.46 3.99 -0.00 -1.98 -1.24 115.15 116.86 2f77 h HIS 8 Ca 0.38 -0.19 -0.07 0.00 -0.00 0.00 0.00 60.37 60.49 2f77 h HIS 8 Cb 0.39 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 2f77 h HIS 8 CO -0.09 0.88 0.01 0.93 -0.00 0.00 0.00 177.93 179.66 2f77 h GLU 9 N 0.38 0.75 -0.39 2.45 4.39 -1.64 -2.48 114.58 118.05 2f77 h GLU 9 Ca 0.06 -0.19 -0.14 0.00 0.34 0.00 0.00 59.36 59.43 2f77 h GLU 9 Cb 0.70 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2f77 h GLU 9 CO 0.05 0.76 -0.32 0.00 -1.16 0.00 0.00 179.01 178.34 2f77 h ARG 10 N 0.70 0.86 -0.09 2.33 3.08 0.28 -0.40 114.38 121.15 2f77 h ARG 10 Ca 0.14 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2f77 h ARG 10 Cb 0.42 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 2f77 h ARG 10 CO 0.02 1.06 0.05 -0.92 -1.07 0.00 0.00 179.97 179.10 2f77 h TYR 11 N 0.72 0.12 -0.23 3.04 3.20 -0.86 0.13 116.97 123.10 2f77 h TYR 11 Ca 0.08 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 2f77 h TYR 11 Cb 0.88 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 2f77 h TYR 11 CO 0.05 0.14 -0.39 -0.39 -1.64 0.00 0.00 178.16 175.93 2f77 h VAL 12 N 0.07 1.30 -0.79 1.81 -1.51 -1.44 -2.66 116.25 113.03 2f77 h VAL 12 Ca 0.03 -1.54 -0.04 0.00 -1.23 0.00 0.00 66.70 63.92 2f77 h VAL 12 Cb 0.06 1.55 -0.04 0.00 -2.13 0.00 0.00 31.29 30.73 2f77 h VAL 12 CO -0.01 0.48 0.33 -0.08 -1.23 0.00 0.00 177.57 177.07 2f77 h GLU 13 N 0.43 1.17 -0.46 5.19 4.81 -0.70 -2.10 114.58 122.93 2f77 h GLU 13 Ca 0.04 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 2f77 h GLU 13 Cb 0.87 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2f77 h GLU 13 CO 0.07 0.94 -0.03 0.37 -0.73 0.00 0.00 179.01 179.64 2f77 h GLN 14 N 1.14 0.78 -0.62 1.92 4.15 -0.78 -2.49 115.11 119.21 2f77 h GLN 14 Ca 0.27 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 2f77 h GLN 14 Cb 0.19 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 2f77 h GLN 14 CO -0.03 0.80 0.32 1.25 -1.93 0.00 0.00 178.83 179.25 2f77 h LEU 15 N 0.72 0.79 -1.20 -2.39 5.85 -1.06 -2.10 115.31 115.91 2f77 h LEU 15 Ca 0.14 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2f77 h LEU 15 Cb 0.48 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2f77 h LEU 15 CO 0.02 0.68 0.33 0.50 -0.34 0.00 0.00 178.44 179.63 2f77 h LYS 16 N 0.85 0.88 -0.23 1.25 3.64 -1.04 0.10 116.57 122.02 2f77 h LYS 16 Ca 0.22 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2f77 h LYS 16 Cb 0.08 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2f77 h LYS 16 CO -0.03 0.66 0.08 1.96 -2.27 0.00 0.00 179.45 179.85 2f77 h GLN 17 N 0.89 0.18 -0.45 1.90 4.20 -0.96 0.49 115.11 121.37 2f77 h GLN 17 Ca 0.22 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 2f77 h GLN 17 Cb 0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2f77 h GLN 17 CO -0.03 0.12 -0.25 0.00 -0.67 0.00 0.00 178.83 178.00 2f77 h ALA 18 N 1.14 0.64 -0.68 3.87 0.00 -1.18 -2.54 119.26 120.51 2f77 h ALA 18 Ca 0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2f77 h ALA 18 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2f77 h ALA 18 CO -0.10 0.65 0.22 1.25 0.00 0.00 0.00 179.25 181.27 2f77 h LEU 19 N 0.81 0.97 -0.86 0.00 5.85 -0.49 -2.39 115.31 119.20 2f77 h LEU 19 Ca 0.10 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2f77 h LEU 19 Cb 0.83 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2f77 h LEU 19 CO 0.07 0.90 0.35 0.50 -0.34 0.00 0.00 178.44 179.92 2f77 h LYS 20 N 1.00 1.18 0.00 1.25 3.64 0.16 -1.82 116.57 121.98 2f77 h LYS 20 Ca 0.22 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2f77 h LYS 20 Cb 0.27 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2f77 h LYS 20 CO -0.01 0.94 -0.08 1.79 -2.27 0.00 0.00 179.45 179.81 2f77 h THR 21 N 1.16 1.00 0.00 1.00 1.35 -1.01 0.40 112.91 116.81 2f77 h THR 21 Ca 0.27 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2f77 h THR 21 Cb 0.18 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2f77 h THR 21 CO -0.03 0.08 0.00 0.03 -0.25 0.00 0.00 175.52 175.35 2f77 h ARG 22 N 0.00 0.00 0.00 4.72 3.08 -1.07 -3.45 114.38 117.66 2f77 h ARG 22 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2f77 h ARG 22 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 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 -0.09 0.94 3.20 0.04 0.00 0.11 -5.13 105.19 104.26 2f77 n GLY 23 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.20 1.74 -0.30 1.61 1.01 -1.08 -5.02 120.40 117.16 2f77 s VAL 24 Ca 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2f77 s VAL 24 Cb 0.00 -1.48 0.10 0.00 0.00 0.00 0.00 36.38 35.00 2f77 s VAL 24 CO 0.00 0.49 0.11 -0.54 0.00 0.00 0.00 175.10 175.17 2f77 s LYS 25 N -0.10 0.49 0.16 2.72 1.02 -1.26 -4.36 119.74 118.41 2f77 s LYS 25 Ca -0.03 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.12 2f77 s LYS 25 Cb -0.12 -1.63 -0.04 0.00 -0.52 0.00 0.00 37.83 35.52 2f77 s LYS 25 CO 0.03 -1.01 0.00 0.14 -0.92 0.00 0.00 175.35 173.59 2f77 s VAL 26 N 1.80 0.61 0.43 3.17 -7.23 -1.26 -5.01 120.40 112.92 2f77 s VAL 26 Ca 0.10 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.07 2f77 s VAL 26 Cb -0.17 -2.07 -0.08 0.00 0.56 0.00 0.00 36.38 34.62 2f77 s VAL 26 CO -0.30 -0.51 1.12 -0.54 -0.31 0.00 0.00 175.10 174.56 2f77 s LYS 27 N -3.92 3.93 0.28 4.82 1.02 -1.26 -4.92 119.74 119.69 2f77 s LYS 27 Ca 0.23 1.66 -0.02 0.00 0.02 0.00 0.00 55.97 57.86 2f77 s LYS 27 Cb 0.06 -2.46 0.40 0.00 -0.52 0.00 0.00 37.83 35.31 2f77 s LYS 27 CO 0.03 -0.38 1.86 1.88 -0.92 0.00 0.00 175.35 177.82 2f77 h TYR 28 N 2.23 0.91 -0.63 3.18 -1.99 -2.00 -1.92 116.97 116.76 2f77 h TYR 28 Ca -0.49 -0.06 0.09 0.00 2.00 0.00 0.00 58.73 60.28 2f77 h TYR 28 Cb 1.23 -0.28 -0.04 0.00 2.00 0.00 0.00 36.73 39.65 2f77 h TYR 28 CO 0.55 0.71 0.42 0.00 -0.00 0.00 0.00 178.16 179.84 2f77 h ALA 29 N 1.37 1.95 -0.91 3.88 0.00 -1.93 -0.26 119.26 123.37 2f77 h ALA 29 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2f77 h ALA 29 Cb 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2f77 h ALA 29 CO -0.02 -0.09 0.53 -0.44 0.00 0.00 0.00 179.25 179.23 2f77 h ASP 30 N 0.48 1.11 -0.56 0.00 3.32 -1.72 -0.70 116.42 118.35 2f77 h ASP 30 Ca 0.29 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 2f77 h ASP 30 Cb 0.50 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2f77 h ASP 30 CO -0.09 0.86 0.28 -0.07 -1.72 0.00 0.00 179.24 178.50 2f77 h LEU 31 N 1.26 0.73 -0.60 1.55 -0.00 -1.08 0.81 115.31 117.98 2f77 h LEU 31 Ca 0.32 -0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 58.04 2f77 h LEU 31 Cb -0.02 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 40.43 2f77 h LEU 31 CO -0.06 0.64 0.21 -0.07 -0.00 0.00 0.00 178.44 179.17 2f77 h LEU 32 N 0.76 0.85 -1.32 1.67 3.38 -1.17 -2.10 115.31 117.38 2f77 h LEU 32 Ca 0.19 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2f77 h LEU 32 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2f77 h LEU 32 CO -0.03 0.82 -0.28 0.11 0.09 0.00 0.00 178.44 179.15 2f77 h LYS 33 N 0.84 0.09 0.02 1.13 1.57 -0.73 -2.53 116.57 116.97 2f77 h LYS 33 Ca 0.20 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2f77 h LYS 33 Cb 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2f77 h LYS 33 CO -0.01 0.37 -0.01 0.35 -0.57 0.00 0.00 179.45 179.58 2f77 h PHE 34 N 0.09 -0.03 -0.30 -1.35 3.57 -0.15 0.75 116.94 119.52 2f77 h PHE 34 Ca 0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2f77 h PHE 34 Cb 0.54 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2f77 h PHE 34 CO 0.00 0.05 0.15 0.74 -2.23 0.00 0.00 178.31 177.02 2f77 h PHE 35 N -0.10 0.43 -0.54 0.41 0.04 -1.33 -1.00 116.94 114.85 2f77 h PHE 35 Ca -0.00 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 2f77 h PHE 35 Cb 0.09 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 2f77 h PHE 35 CO -0.05 0.38 0.01 -0.44 -0.60 0.00 0.00 178.31 177.61 2f77 h ASP 36 N 0.35 0.88 -0.41 2.17 3.32 -1.29 -2.40 116.42 119.04 2f77 h ASP 36 Ca 0.10 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2f77 h ASP 36 Cb 0.11 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2f77 h ASP 36 CO -0.01 0.94 0.23 0.15 -1.72 0.00 0.00 179.24 178.83 2f77 h PHE 37 N 0.84 0.55 -0.13 4.55 3.57 0.92 0.37 116.94 127.61 2f77 h PHE 37 Ca 0.16 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2f77 h PHE 37 Cb 0.49 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2f77 h PHE 37 CO 0.03 0.40 0.07 0.28 -2.23 0.00 0.00 178.31 176.87 2f77 h VAL 38 N 0.53 1.08 0.00 1.41 2.07 -0.96 0.19 116.25 120.56 2f77 h VAL 38 Ca 0.14 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2f77 h VAL 38 Cb 0.03 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2f77 h VAL 38 CO -0.03 0.07 -0.33 0.11 0.02 0.00 0.00 177.57 177.42 2f77 h LYS 39 N 0.12 0.00 0.00 1.57 1.57 -1.24 -2.03 116.57 116.56 2f77 h LYS 39 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2f77 h LYS 39 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2f77 h LYS 39 CO -0.01 0.33 -0.06 -0.44 -0.57 0.00 0.00 179.45 178.70 2f77 h ASP 40 N 0.00 0.00 0.41 0.86 3.32 0.46 -3.13 116.42 118.35 2f77 h ASP 40 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2f77 h ASP 40 Cb 0.64 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2f77 h ASP 40 CO 0.04 0.06 -0.47 0.74 -1.72 0.00 0.00 179.24 177.89 2f77 h THR 41 N 0.00 0.00 0.00 0.35 2.02 0.12 -3.10 112.91 112.30 2f77 h THR 41 Ca -0.00 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.92 2f77 h THR 41 Cb 0.95 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 2f77 h THR 41 CO 0.01 0.00 -1.82 0.00 0.37 0.00 0.00 175.52 174.08 2f77 h PRO 43 N -0.91 0.28 -1.17 0.00 0.11 -1.74 -3.42 132.00 125.15 2f77 h PRO 43 Ca -0.39 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.89 2f77 h PRO 43 Cb 1.30 -0.06 -0.32 0.00 0.11 0.00 0.00 31.00 32.03 2f77 h PRO 43 CO -0.24 0.19 0.69 1.67 -0.21 0.00 0.00 178.00 180.10 2f77 s TRP 44 N -5.86 -0.17 -0.42 0.65 -2.14 -1.23 -5.04 118.94 104.73 2f77 s TRP 44 Ca -0.11 0.36 -0.11 0.00 2.66 0.00 0.00 56.10 58.90 2f77 s TRP 44 Cb 0.27 0.18 0.07 0.00 -3.10 0.00 0.00 33.47 30.88 2f77 s TRP 44 CO 0.78 -0.09 0.28 -0.06 -2.66 0.00 0.00 176.95 175.20 2f77 s PHE 45 N 0.91 3.30 0.00 1.66 0.08 -1.17 -4.18 117.98 118.58 2f77 s PHE 45 Ca -0.06 -1.28 0.00 0.00 0.12 0.00 0.00 56.93 55.71 2f77 s PHE 45 Cb -0.03 -2.91 0.00 0.00 -0.57 0.00 0.00 43.02 39.51 2f77 s PHE 45 CO -0.11 -0.80 0.00 -0.35 -0.10 0.00 0.00 175.22 173.86 2f77 n PRO 46 N 5.00 0.80 -3.17 0.24 -0.04 -1.26 -5.02 135.00 131.54 2f77 n PRO 46 Ca -0.11 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.95 2f77 n PRO 46 Cb 0.44 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.83 2f77 n PRO 46 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2f77 s GLN 47 N -1.00 4.16 0.22 0.54 -1.52 -1.26 -5.06 119.66 115.74 2f77 s GLN 47 Ca 0.00 0.49 -0.01 0.00 -1.95 0.00 0.00 55.36 53.89 2f77 s GLN 47 Cb 0.00 -3.60 -0.04 0.00 -0.22 0.00 0.00 33.01 29.15 2f77 s GLN 47 CO 0.00 -0.27 0.42 -2.00 -0.25 0.00 0.00 175.29 173.19 2f77 s GLU 48 N 2.02 3.54 0.00 2.91 2.12 -1.26 -5.08 118.70 122.95 2f77 s GLU 48 Ca 0.25 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.30 2f77 s GLU 48 Cb -0.16 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.43 2f77 s GLU 48 CO 0.09 0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 2f77 n GLY 49 N -0.74 -0.07 3.05 -1.50 0.00 -1.26 -5.08 105.19 99.58 2f77 n GLY 49 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 0.40 0.92 -0.06 2.61 2.01 -1.26 -4.98 115.64 115.28 2f77 s THR 50 Ca 0.00 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.56 2f77 s THR 50 Cb 0.00 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 2f77 s THR 50 CO 0.00 0.27 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.58 2f77 s ILE 51 N -0.01 3.32 0.25 1.82 -1.16 -1.26 -5.09 121.20 119.06 2f77 s ILE 51 Ca -0.00 -0.62 -0.30 0.00 -0.51 0.00 0.00 60.65 59.22 2f77 s ILE 51 Cb -0.07 -2.33 -0.09 0.00 0.61 0.00 0.00 42.46 40.58 2f77 s ILE 51 CO 0.00 0.59 1.30 -1.81 -2.81 0.00 0.00 174.94 172.22 2f77 s ASP 52 N -0.71 6.87 0.35 4.50 1.01 -1.26 -4.90 116.67 122.53 2f77 s ASP 52 Ca 0.11 2.50 0.16 0.00 0.71 0.00 0.00 52.55 56.03 2f77 s ASP 52 Cb -0.11 -2.62 0.61 0.00 1.01 0.00 0.00 42.92 41.81 2f77 s ASP 52 CO 0.01 -0.51 1.72 0.40 0.21 0.00 0.00 175.17 177.00 2f77 h ILE 53 N 3.45 1.07 -0.58 0.77 2.04 -2.00 -2.89 117.51 119.38 2f77 h ILE 53 Ca -0.46 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 63.70 2f77 h ILE 53 Cb 1.22 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 2f77 h ILE 53 CO 0.73 0.43 0.13 0.11 0.00 0.00 0.00 178.15 179.55 2f77 h LYS 54 N 0.00 0.93 0.00 2.37 1.57 -2.00 -2.40 116.57 117.04 2f77 h LYS 54 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2f77 h LYS 54 Cb 0.91 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2f77 h LYS 54 CO 0.06 0.87 0.00 0.35 -0.57 0.00 0.00 179.45 180.15 2f77 h PHE 55 N 0.84 0.00 -0.75 -1.35 3.57 -1.92 -3.17 116.94 114.15 2f77 h PHE 55 Ca 0.18 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2f77 h PHE 55 Cb 0.36 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2f77 h PHE 55 CO 0.03 0.00 0.46 2.35 -2.23 0.00 0.00 178.31 178.92 2f77 h TRP 56 N 0.00 0.98 -0.57 0.41 7.01 -1.22 -2.18 115.95 120.38 2f77 h TRP 56 Ca 0.00 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.02 2f77 h TRP 56 Cb 0.68 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 2f77 h TRP 56 CO 0.00 0.64 0.36 0.00 -2.79 0.00 0.00 178.44 176.66 2f77 h ARG 57 N 1.03 0.71 -0.70 2.65 3.08 -1.62 -0.22 114.38 119.30 2f77 h ARG 57 Ca 0.27 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.21 2f77 h ARG 57 Cb -0.06 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 2f77 h ARG 57 CO -0.05 0.47 0.15 0.00 -1.07 0.00 0.00 179.97 179.47 2f77 h ARG 58 N 0.73 1.14 -0.50 0.04 3.08 -1.62 -1.55 114.38 115.71 2f77 h ARG 58 Ca 0.22 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2f77 h ARG 58 Cb -0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2f77 h ARG 58 CO -0.07 1.02 0.18 0.28 -1.07 0.00 0.00 179.97 180.31 2f77 h VAL 59 N 1.08 1.22 -0.25 2.04 2.07 -0.80 0.42 116.25 122.02 2f77 h VAL 59 Ca 0.22 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 2f77 h VAL 59 Cb 0.40 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2f77 h VAL 59 CO 0.01 0.26 0.11 1.23 0.02 0.00 0.00 177.57 179.20 2f77 h GLY 60 N 0.67 0.40 1.00 2.17 0.00 -0.81 0.15 103.07 106.65 2f77 h GLY 60 Ca 0.16 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 2f77 h GLY 60 CO -0.01 0.20 -0.14 -0.55 0.00 0.00 0.00 176.54 176.04 2f77 h ASP 61 N 0.27 0.82 0.14 0.19 3.32 -1.10 -1.50 116.42 118.56 2f77 h ASP 61 Ca 0.09 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2f77 h ASP 61 Cb 0.15 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2f77 h ASP 61 CO -0.01 1.02 -0.07 0.00 -1.72 0.00 0.00 179.24 178.46 2f77 h PHE 63 N -0.34 0.69 -0.96 0.00 -1.00 -0.70 -1.23 116.94 113.40 2f77 h PHE 63 Ca -0.02 0.02 0.08 0.00 2.81 0.00 0.00 57.97 60.86 2f77 h PHE 63 Cb 0.27 -0.22 -0.07 0.00 3.61 0.00 0.00 35.95 39.54 2f77 h PHE 63 CO -0.02 0.37 0.60 0.37 -1.61 0.00 0.00 178.31 178.02 2f77 h GLN 64 N 0.71 1.02 -0.39 1.51 4.15 -1.08 0.20 115.11 121.24 2f77 h GLN 64 Ca 0.26 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.55 2f77 h GLN 64 Cb 0.08 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 2f77 h GLN 64 CO -0.13 0.68 -0.04 -0.44 -1.93 0.00 0.00 178.83 176.97 2f77 h ASP 65 N 1.05 0.71 -0.41 -0.69 5.19 -0.43 -2.69 116.42 119.15 2f77 h ASP 65 Ca 0.43 -0.33 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 2f77 h ASP 65 Cb 0.26 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 2f77 h ASP 65 CO -0.20 0.87 0.14 1.88 -3.12 0.00 0.00 179.24 178.81 2f77 h TYR 66 N 0.54 0.70 0.45 4.55 0.05 -0.42 -0.18 116.97 122.66 2f77 h TYR 66 Ca 0.11 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 2f77 h TYR 66 Cb 0.53 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 2f77 h TYR 66 CO 0.04 0.58 -0.25 -0.92 -1.05 0.00 0.00 178.16 176.56 2f77 h TYR 67 N 0.68 -0.66 -0.31 4.88 3.20 -0.67 0.15 116.97 124.24 2f77 h TYR 67 Ca 0.16 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 2f77 h TYR 67 Cb 0.21 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 2f77 h TYR 67 CO 0.01 -0.40 -0.09 -0.91 -1.64 0.00 0.00 178.16 175.14 2f77 h ASN 68 N -0.66 0.49 -0.08 -2.11 2.35 -1.33 1.55 115.58 115.80 2f77 h ASN 68 Ca -0.06 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2f77 h ASN 68 Cb 0.53 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 2f77 h ASN 68 CO 0.07 0.63 0.02 0.74 -1.65 0.00 0.00 177.43 177.24 2f77 h THR 69 N 0.48 1.18 0.00 2.81 2.02 -0.59 -3.40 112.91 115.41 2f77 h THR 69 Ca 0.09 -0.54 -0.10 0.00 0.77 0.00 0.00 66.41 66.64 2f77 h THR 69 Cb 0.45 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2f77 h THR 69 CO 0.02 0.15 -1.19 0.49 0.37 0.00 0.00 175.52 175.36 2f77 n PHE 70 N -4.91 0.00 -0.69 3.16 3.72 0.49 -5.08 117.46 114.15 2f77 n PHE 70 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2f77 n PHE 70 Cb 0.14 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 2.62 0.60 0.28 1.37 0.00 0.53 -4.88 105.19 105.71 2f77 n GLY 71 Ca -0.12 -1.79 0.16 0.00 0.00 0.00 0.00 46.02 44.27 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 5.87 0.00 -0.12 1.61 0.11 -1.81 -3.14 132.00 134.52 2f77 h PRO 72 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.14 2f77 h PRO 72 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2f77 h PRO 72 CO 0.00 0.06 -0.10 0.93 -0.21 0.00 0.00 178.00 178.68 2f77 h GLU 73 N 0.00 -0.11 -0.36 1.05 5.08 -1.94 1.23 114.58 119.55 2f77 h GLU 73 Ca -0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2f77 h GLU 73 Cb 0.40 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2f77 h GLU 73 CO 0.01 -0.07 0.09 0.87 -1.00 0.00 0.00 179.01 178.91 2f77 h LYS 74 N -0.11 0.57 -2.21 2.33 1.79 -1.89 -3.38 116.57 113.65 2f77 h LYS 74 Ca 0.08 -0.14 -0.52 0.00 -2.18 0.00 0.00 60.65 57.89 2f77 h LYS 74 Cb 0.23 -0.08 -0.35 0.00 -1.58 0.00 0.00 32.23 30.45 2f77 h LYS 74 CO -0.19 0.61 -0.88 0.14 -1.08 0.00 0.00 179.45 178.05 2f77 s VAL 75 N -5.31 0.10 0.24 0.50 -7.23 -0.93 -4.91 120.40 102.86 2f77 s VAL 75 Ca -0.13 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 57.81 2f77 s VAL 75 Cb 0.09 -1.05 0.05 0.00 0.56 0.00 0.00 36.38 36.04 2f77 s VAL 75 CO 0.76 -1.01 0.32 -0.81 -0.31 0.00 0.00 175.10 174.04 2f77 n PRO 76 N 3.15 -0.36 0.32 4.82 -0.04 0.42 -4.57 135.00 138.74 2f77 n PRO 76 Ca 0.24 -0.49 0.21 0.00 -0.04 0.00 0.00 63.50 63.42 2f77 n PRO 76 Cb 0.47 -0.33 1.10 0.00 -0.04 0.00 0.00 33.50 34.70 2f77 n PRO 76 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2f77 h VAL 77 N -1.21 0.09 -0.66 0.52 2.07 -2.00 -1.89 116.25 113.17 2f77 h VAL 77 Ca -0.10 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2f77 h VAL 77 Cb 0.28 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2f77 h VAL 77 CO 0.07 0.01 0.28 0.71 0.02 0.00 0.00 177.57 178.65 2f77 h THR 78 N 0.00 1.23 -0.28 2.57 1.35 -1.94 -1.53 112.91 114.30 2f77 h THR 78 Ca -0.00 -0.70 0.03 0.00 -0.55 0.00 0.00 66.41 65.20 2f77 h THR 78 Cb 0.08 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 66.89 2f77 h THR 78 CO 0.00 0.28 0.09 0.00 -0.25 0.00 0.00 175.52 175.64 2f77 h ALA 79 N 1.35 0.31 -0.46 6.62 0.00 -1.67 -0.14 119.26 125.28 2f77 h ALA 79 Ca 0.23 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2f77 h ALA 79 Cb 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2f77 h ALA 79 CO -0.02 -0.32 -0.04 0.74 0.00 0.00 0.00 179.25 179.61 2f77 h PHE 80 N 0.21 0.84 -0.43 0.00 0.04 -1.60 -2.12 116.94 113.88 2f77 h PHE 80 Ca 0.13 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2f77 h PHE 80 Cb 0.10 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 2f77 h PHE 80 CO -0.14 0.80 0.23 1.03 -0.60 0.00 0.00 178.31 179.64 2f77 h SER 81 N 0.72 0.53 -0.44 2.17 0.87 -0.39 0.15 113.55 117.17 2f77 h SER 81 Ca 0.13 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2f77 h SER 81 Cb 0.50 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 2f77 h SER 81 CO 0.03 0.47 0.15 1.88 -0.53 0.00 0.00 176.83 178.83 2f77 h TYR 82 N 0.56 0.70 -0.55 2.24 0.05 -0.84 -2.59 116.97 116.54 2f77 h TYR 82 Ca 0.15 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 2f77 h TYR 82 Cb 0.06 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 2f77 h TYR 82 CO -0.02 0.62 0.09 2.35 -1.05 0.00 0.00 178.16 180.15 2f77 h TRP 83 N 0.58 0.92 -0.87 4.88 2.91 -1.10 -2.45 115.95 120.81 2f77 h TRP 83 Ca 0.15 -0.10 0.08 0.00 1.13 0.00 0.00 58.89 60.14 2f77 h TRP 83 Cb 0.24 -0.26 -0.07 0.00 -0.51 0.00 0.00 29.16 28.56 2f77 h TRP 83 CO 0.01 0.79 0.52 -0.91 -1.03 0.00 0.00 178.44 177.82 2f77 h ASN 84 N 0.83 0.79 -0.63 2.65 -0.26 -0.33 0.20 115.58 118.84 2f77 h ASN 84 Ca 0.17 0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.86 2f77 h ASN 84 Cb 0.37 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.48 2f77 h ASN 84 CO 0.01 0.47 0.07 -0.07 -1.06 0.00 0.00 177.43 176.84 2f77 h LEU 85 N 0.91 1.03 -0.55 1.61 3.38 -1.18 -2.77 115.31 117.74 2f77 h LEU 85 Ca 0.40 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2f77 h LEU 85 Cb 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2f77 h LEU 85 CO -0.22 1.05 0.16 0.40 0.09 0.00 0.00 178.44 179.93 2f77 h ILE 86 N 0.98 1.24 -0.97 1.22 1.08 -0.76 -2.19 117.51 118.11 2f77 h ILE 86 Ca 0.19 -0.82 0.12 0.00 -0.39 0.00 0.00 64.86 63.95 2f77 h ILE 86 Cb 0.48 0.73 -0.08 0.00 -3.07 0.00 0.00 36.82 34.89 2f77 h ILE 86 CO 0.02 0.31 0.62 0.50 -0.69 0.00 0.00 178.15 178.90 2f77 h LYS 87 N 0.77 0.92 -0.33 2.37 3.64 -0.41 -0.43 116.57 123.10 2f77 h LYS 87 Ca 0.18 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.33 2f77 h LYS 87 Cb 0.30 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2f77 h LYS 87 CO -0.00 0.61 -0.46 0.93 -2.27 0.00 0.00 179.45 178.26 2f77 h GLU 88 N 0.95 0.87 -0.34 1.90 4.39 -1.20 0.76 114.58 121.91 2f77 h GLU 88 Ca 0.48 -0.50 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2f77 h GLU 88 Cb 0.50 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2f77 h GLU 88 CO -0.24 1.14 0.16 -0.07 -1.16 0.00 0.00 179.01 178.84 2f77 h LEU 89 N 0.70 0.45 -0.49 1.33 4.07 -0.53 -2.00 115.31 118.84 2f77 h LEU 89 Ca 0.04 -0.13 -0.17 0.00 0.08 0.00 0.00 57.88 57.70 2f77 h LEU 89 Cb 1.05 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 2f77 h LEU 89 CO 0.10 0.45 -0.74 0.16 -1.08 0.00 0.00 178.44 177.34 2f77 h ILE 90 N 0.41 1.46 -0.92 1.22 3.07 -1.14 -3.14 117.51 118.48 2f77 h ILE 90 Ca 0.12 -2.36 0.00 0.00 1.55 0.00 0.00 64.86 64.17 2f77 h ILE 90 Cb 0.12 2.27 -0.04 0.00 -0.27 0.00 0.00 36.82 38.90 2f77 h ILE 90 CO -0.01 0.69 0.58 -0.78 -1.05 0.00 0.00 178.15 177.57 2f77 h ASP 91 N 0.10 1.09 -0.91 2.16 1.82 -0.52 -2.03 116.42 118.13 2f77 h ASP 91 Ca -0.02 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2f77 h ASP 91 Cb 1.30 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 41.00 2f77 h ASP 91 CO 0.11 0.82 0.51 0.11 -1.61 0.00 0.00 179.24 179.18 2f77 h LYS 92 N 1.26 1.25 -5.16 0.28 1.57 -1.32 -3.38 116.57 111.07 2f77 h LYS 92 Ca 0.33 -0.14 -0.65 0.00 -1.87 0.00 0.00 60.65 58.33 2f77 h LYS 92 Cb -0.09 -0.25 -0.16 0.00 0.08 0.00 0.00 32.23 31.82 2f77 h LYS 92 CO -0.07 0.90 -0.12 0.21 -0.57 0.00 0.00 179.45 179.81 2f77 s LYS 93 N -5.88 3.62 -0.20 3.15 2.20 -0.76 -5.04 119.74 116.83 2f77 s LYS 93 Ca -0.13 -0.22 -0.25 0.00 -0.36 0.00 0.00 55.97 55.02 2f77 s LYS 93 Cb 0.17 -3.80 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 2f77 s LYS 93 CO 0.83 -0.60 0.82 -1.21 -0.36 0.00 0.00 175.35 174.82 2f77 s GLU 94 N 2.28 4.24 0.05 4.03 0.41 -1.26 -4.84 118.70 123.61 2f77 s GLU 94 Ca 0.17 0.96 0.02 0.00 -0.41 0.00 0.00 54.97 55.71 2f77 s GLU 94 Cb -0.16 -3.60 -0.03 0.00 -1.78 0.00 0.00 34.13 28.56 2f77 s GLU 94 CO 0.13 -0.40 -0.08 0.54 -0.49 0.00 0.00 175.26 174.96 2f77 s VAL 95 N 2.42 0.55 -0.60 2.63 0.11 -1.26 -5.10 120.40 119.15 2f77 s VAL 95 Ca 0.36 -1.15 0.04 0.00 -2.93 0.00 0.00 61.98 58.30 2f77 s VAL 95 Cb -0.16 -0.70 0.15 0.00 -1.53 0.00 0.00 36.38 34.15 2f77 s VAL 95 CO 0.10 -0.42 0.37 0.21 -3.33 0.00 0.00 175.10 172.03 2f77 s ASN 96 N -1.70 4.40 0.21 3.54 3.84 -1.26 -4.96 114.94 119.00 2f77 s ASN 96 Ca -0.08 -3.39 -0.09 0.00 0.21 0.00 0.00 52.86 49.50 2f77 s ASN 96 Cb -0.09 -1.55 0.28 0.00 -0.55 0.00 0.00 41.25 39.34 2f77 s ASN 96 CO -0.00 -0.16 1.74 -0.65 -2.79 0.00 0.00 177.10 175.24 2f77 h PRO 97 N 5.96 0.39 0.00 0.43 0.11 -1.99 -3.45 132.00 133.45 2f77 h PRO 97 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2f77 h PRO 97 Cb 0.83 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2f77 h PRO 97 CO 0.68 0.26 0.00 1.04 -0.21 0.00 0.00 178.00 179.76 2f77 n GLN 98 N -5.00 0.00 -3.90 1.05 6.02 -1.26 -5.07 117.38 109.21 2f77 n GLN 98 Ca 0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.77 2f77 n GLN 98 Cb 0.28 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.39 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 -0.14 1.68 0.00 5.09 1.01 -1.26 -5.28 120.40 121.49 2f77 s VAL 99 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.10 2f77 s VAL 99 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.16 2f77 s VAL 99 CO 0.00 -0.58 0.00 0.23 0.00 0.00 0.00 175.10 174.75