#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 0.92 3.30 3.03 0.00 -1.26 -5.01 105.19 106.17 2f77 n GLY 2 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.17 1.21 0.30 1.61 -0.21 -1.26 -5.11 119.66 116.03 2f77 s GLN 3 Ca 0.00 -1.55 -0.30 0.00 0.02 0.00 0.00 55.36 53.53 2f77 s GLN 3 Cb 0.00 -0.75 -0.11 0.00 1.00 0.00 0.00 33.01 33.15 2f77 s GLN 3 CO 0.00 0.05 1.50 -1.21 -2.12 0.00 0.00 175.29 173.51 2f77 s GLU 4 N -3.75 4.19 -0.66 2.91 0.41 -1.26 -4.93 118.70 115.61 2f77 s GLU 4 Ca 0.21 2.45 -0.21 0.00 -0.41 0.00 0.00 54.97 57.01 2f77 s GLU 4 Cb 0.03 -3.05 0.08 0.00 -1.78 0.00 0.00 34.13 29.41 2f77 s GLU 4 CO 0.04 -0.51 0.90 -0.51 -0.49 0.00 0.00 175.26 174.70 2f77 s LEU 5 N -0.84 4.69 0.77 1.80 1.43 -1.26 -4.99 118.68 120.28 2f77 s LEU 5 Ca 0.59 -1.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 2f77 s LEU 5 Cb -0.45 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.44 2f77 s LEU 5 CO 0.49 -1.34 1.14 -0.94 0.23 0.00 0.00 176.35 175.93 2f77 s SER 6 N 3.67 4.88 0.27 2.29 1.04 -1.26 -4.68 113.70 119.90 2f77 s SER 6 Ca 0.20 0.97 0.01 0.00 0.48 0.00 0.00 55.95 57.61 2f77 s SER 6 Cb -0.18 -1.61 0.60 0.00 0.10 0.00 0.00 66.02 64.93 2f77 s SER 6 CO 0.08 -1.69 1.75 -0.61 0.98 0.00 0.00 173.24 173.75 2f77 h GLN 7 N -0.90 0.56 -0.08 4.02 4.15 -1.98 0.38 115.11 121.25 2f77 h GLN 7 Ca -0.46 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 2f77 h GLN 7 Cb 1.29 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 2f77 h GLN 7 CO 0.65 0.37 0.01 1.25 -1.93 0.00 0.00 178.83 179.18 2f77 h HIS 8 N 0.58 0.15 -0.85 3.99 2.76 -2.00 -1.65 115.15 118.14 2f77 h HIS 8 Ca 0.50 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.64 2f77 h HIS 8 Cb 0.78 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.66 2f77 h HIS 8 CO -0.09 0.38 0.50 0.93 -1.30 0.00 0.00 177.93 178.34 2f77 h GLU 9 N -0.11 1.15 -0.53 5.26 5.08 -1.52 -1.75 114.58 122.16 2f77 h GLU 9 Ca 0.03 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2f77 h GLU 9 Cb 0.31 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2f77 h GLU 9 CO 0.00 0.81 0.14 0.00 -1.00 0.00 0.00 179.01 178.97 2f77 h ARG 10 N 1.17 0.80 -0.80 2.33 3.08 -0.12 -2.39 114.38 118.44 2f77 h ARG 10 Ca 0.30 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.21 2f77 h ARG 10 Cb -0.03 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 2f77 h ARG 10 CO -0.06 0.71 0.53 -0.92 -1.07 0.00 0.00 179.97 179.17 2f77 h TYR 11 N 0.77 1.01 -0.59 3.04 3.20 -0.39 -2.20 116.97 121.81 2f77 h TYR 11 Ca 0.17 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 2f77 h TYR 11 Cb 0.27 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 2f77 h TYR 11 CO 0.02 0.63 0.30 0.28 -1.64 0.00 0.00 178.16 177.75 2f77 h VAL 12 N 1.09 1.20 -0.74 1.81 2.07 -1.19 -1.91 116.25 118.58 2f77 h VAL 12 Ca 0.30 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.35 2f77 h VAL 12 Cb -0.12 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 2f77 h VAL 12 CO -0.07 0.22 0.42 -0.08 0.02 0.00 0.00 177.57 178.09 2f77 h GLU 13 N 0.80 0.74 -0.38 1.57 4.81 -1.10 0.06 114.58 121.08 2f77 h GLU 13 Ca 0.21 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 2f77 h GLU 13 Cb 0.08 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2f77 h GLU 13 CO -0.03 0.49 0.00 0.37 -0.73 0.00 0.00 179.01 179.11 2f77 h GLN 14 N 0.76 0.60 -0.65 1.92 4.15 -0.94 -2.31 115.11 118.64 2f77 h GLN 14 Ca 0.34 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 2f77 h GLN 14 Cb 0.23 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 2f77 h GLN 14 CO -0.20 0.62 0.29 1.25 -1.93 0.00 0.00 178.83 178.86 2f77 h LEU 15 N 0.57 0.88 -0.68 -2.39 5.85 -0.25 -2.46 115.31 116.84 2f77 h LEU 15 Ca 0.12 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2f77 h LEU 15 Cb 0.36 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2f77 h LEU 15 CO 0.01 0.79 0.35 0.50 -0.34 0.00 0.00 178.44 179.75 2f77 h LYS 16 N 0.91 0.95 -0.48 1.25 3.64 -0.78 -1.00 116.57 121.07 2f77 h LYS 16 Ca 0.22 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2f77 h LYS 16 Cb 0.16 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 2f77 h LYS 16 CO -0.02 0.73 0.19 1.96 -2.27 0.00 0.00 179.45 180.04 2f77 h GLN 17 N 0.93 0.38 -0.60 1.90 4.20 -1.02 0.35 115.11 121.25 2f77 h GLN 17 Ca 0.24 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 2f77 h GLN 17 Cb 0.07 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2f77 h GLN 17 CO -0.04 0.25 0.19 0.00 -0.67 0.00 0.00 178.83 178.56 2f77 h ALA 18 N 1.30 0.79 -0.64 3.87 0.00 -1.03 -2.30 119.26 121.25 2f77 h ALA 18 Ca 0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2f77 h ALA 18 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2f77 h ALA 18 CO -0.21 0.46 0.15 -0.07 0.00 0.00 0.00 179.25 179.58 2f77 h LEU 19 N 0.86 0.95 -1.00 0.00 3.38 -0.21 -2.41 115.31 116.88 2f77 h LEU 19 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2f77 h LEU 19 Cb 0.29 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2f77 h LEU 19 CO -0.01 0.92 0.52 0.50 0.09 0.00 0.00 178.44 180.46 2f77 h LYS 20 N 0.96 1.21 0.00 1.13 3.64 0.05 -0.87 116.57 122.68 2f77 h LYS 20 Ca 0.20 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2f77 h LYS 20 Cb 0.34 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2f77 h LYS 20 CO 0.00 0.85 -0.28 1.79 -2.27 0.00 0.00 179.45 179.55 2f77 h THR 21 N 1.22 1.19 0.00 1.00 1.35 -0.95 -1.37 112.91 115.36 2f77 h THR 21 Ca 0.32 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2f77 h THR 21 Cb -0.03 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2f77 h THR 21 CO -0.06 0.27 0.00 0.03 -0.25 0.00 0.00 175.52 175.52 2f77 h ARG 22 N 0.00 0.00 0.00 4.72 3.08 -0.77 -3.46 114.38 117.95 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 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2f77 h ARG 22 CO 0.04 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 2f77 n GLY 23 N 0.69 0.86 3.20 0.04 0.00 -0.52 -5.11 105.19 104.36 2f77 n GLY 23 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.57 1.73 -0.30 1.61 1.01 -0.85 -4.98 120.40 118.06 2f77 s VAL 24 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2f77 s VAL 24 Cb 0.00 -1.48 0.09 0.00 0.00 0.00 0.00 36.38 35.00 2f77 s VAL 24 CO 0.00 0.49 0.08 -0.54 0.00 0.00 0.00 175.10 175.13 2f77 s LYS 25 N -0.06 0.76 0.12 2.72 1.02 -1.26 -4.16 119.74 118.88 2f77 s LYS 25 Ca -0.04 -1.03 0.02 0.00 0.02 0.00 0.00 55.97 54.95 2f77 s LYS 25 Cb -0.13 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 2f77 s LYS 25 CO 0.03 -0.94 -0.04 0.14 -0.92 0.00 0.00 175.35 173.62 2f77 s VAL 26 N 1.61 0.70 0.41 3.17 -7.23 -1.26 -4.99 120.40 112.81 2f77 s VAL 26 Ca 0.08 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.06 2f77 s VAL 26 Cb -0.17 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 2f77 s VAL 26 CO -0.22 -0.73 1.08 -0.54 -0.31 0.00 0.00 175.10 174.37 2f77 s LYS 27 N -3.86 4.09 0.19 4.82 1.02 -1.26 -4.94 119.74 119.81 2f77 s LYS 27 Ca 0.16 1.59 -0.10 0.00 0.02 0.00 0.00 55.97 57.64 2f77 s LYS 27 Cb 0.05 -2.54 0.12 0.00 -0.52 0.00 0.00 37.83 34.95 2f77 s LYS 27 CO -0.02 -0.22 1.76 -0.92 -0.92 0.00 0.00 175.35 175.03 2f77 h TYR 28 N 2.45 1.07 -0.74 3.18 3.20 -2.01 -2.09 116.97 122.03 2f77 h TYR 28 Ca -0.48 -0.08 0.12 0.00 3.14 0.00 0.00 58.73 61.43 2f77 h TYR 28 Cb 1.22 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 2f77 h TYR 28 CO 0.57 0.83 0.49 0.00 -1.64 0.00 0.00 178.16 178.41 2f77 h ALA 29 N 1.13 1.97 -0.95 1.82 0.00 -1.98 0.09 119.26 121.33 2f77 h ALA 29 Ca 0.23 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2f77 h ALA 29 Cb 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2f77 h ALA 29 CO -0.02 -0.15 0.62 0.22 0.00 0.00 0.00 179.25 179.93 2f77 h ASP 30 N 0.53 1.05 -0.59 0.00 3.58 -1.76 0.86 116.42 120.09 2f77 h ASP 30 Ca 0.35 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.77 2f77 h ASP 30 Cb 0.65 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 2f77 h ASP 30 CO -0.12 0.73 0.28 -0.07 -2.88 0.00 0.00 179.24 177.17 2f77 h LEU 31 N 1.22 0.78 -0.46 2.28 -0.00 -0.99 0.13 115.31 118.26 2f77 h LEU 31 Ca 0.37 -0.14 -0.10 0.00 -0.00 0.00 0.00 57.88 58.01 2f77 h LEU 31 Cb -0.04 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.41 2f77 h LEU 31 CO -0.10 0.70 -0.10 -0.07 -0.00 0.00 0.00 178.44 178.87 2f77 h LEU 32 N 0.80 0.89 -0.79 1.67 3.38 -1.14 -2.74 115.31 117.38 2f77 h LEU 32 Ca 0.20 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2f77 h LEU 32 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2f77 h LEU 32 CO -0.02 1.04 0.02 0.11 0.09 0.00 0.00 178.44 179.67 2f77 h LYS 33 N 0.73 0.93 -0.22 1.13 1.57 -0.54 -2.16 116.57 118.01 2f77 h LYS 33 Ca 0.12 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2f77 h LYS 33 Cb 0.64 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2f77 h LYS 33 CO 0.04 0.91 0.07 0.35 -0.57 0.00 0.00 179.45 180.25 2f77 h PHE 34 N 0.87 0.12 -0.66 -1.35 3.57 -0.57 0.42 116.94 119.35 2f77 h PHE 34 Ca 0.16 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2f77 h PHE 34 Cb 0.48 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2f77 h PHE 34 CO 0.03 0.05 0.35 0.74 -2.23 0.00 0.00 178.31 177.25 2f77 h PHE 35 N 0.17 0.92 -0.27 0.41 -1.00 -1.30 -1.80 116.94 114.07 2f77 h PHE 35 Ca 0.10 -0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.76 2f77 h PHE 35 Cb 0.07 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 2f77 h PHE 35 CO -0.13 0.67 -0.20 -0.44 -1.61 0.00 0.00 178.31 176.61 2f77 h ASP 36 N 0.90 0.47 -0.29 2.17 3.32 -0.79 -2.56 116.42 119.64 2f77 h ASP 36 Ca 0.23 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2f77 h ASP 36 Cb 0.07 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2f77 h ASP 36 CO -0.03 0.68 0.11 0.15 -1.72 0.00 0.00 179.24 178.43 2f77 h PHE 37 N 0.43 0.46 0.09 4.55 3.57 0.53 0.38 116.94 126.95 2f77 h PHE 37 Ca 0.07 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2f77 h PHE 37 Cb 0.59 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2f77 h PHE 37 CO 0.02 0.46 -0.04 0.28 -2.23 0.00 0.00 178.31 176.80 2f77 h VAL 38 N 0.32 0.94 0.00 1.41 2.07 -1.17 0.22 116.25 120.04 2f77 h VAL 38 Ca 0.10 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2f77 h VAL 38 Cb 0.21 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2f77 h VAL 38 CO -0.01 0.03 -0.31 0.11 0.02 0.00 0.00 177.57 177.41 2f77 h LYS 39 N -0.17 0.00 0.00 1.57 1.57 -1.37 -1.97 116.57 116.20 2f77 h LYS 39 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2f77 h LYS 39 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2f77 h LYS 39 CO 0.02 0.31 0.00 -0.44 -0.57 0.00 0.00 179.45 178.77 2f77 h ASP 40 N 0.00 0.00 0.35 0.86 3.32 0.39 -2.98 116.42 118.37 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 0.56 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 2f77 h ASP 40 CO 0.04 0.00 -0.45 0.74 -1.72 0.00 0.00 179.24 177.85 2f77 h THR 41 N 0.00 0.00 0.00 0.35 2.02 0.24 -3.21 112.91 112.31 2f77 h THR 41 Ca 0.00 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.94 2f77 h THR 41 Cb 0.85 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 2f77 h THR 41 CO 0.00 0.00 -1.74 0.00 0.37 0.00 0.00 175.52 174.15 2f77 h PRO 43 N -0.55 0.79 0.00 0.00 0.11 -1.73 -3.45 132.00 127.17 2f77 h PRO 43 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2f77 h PRO 43 Cb 1.27 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2f77 h PRO 43 CO -0.22 0.52 0.00 0.91 -0.21 0.00 0.00 178.00 179.01 2f77 n TRP 44 N -4.68 0.00 0.00 0.65 8.01 -1.14 -5.01 117.44 115.28 2f77 n TRP 44 Ca 0.21 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.40 2f77 n TRP 44 Cb 0.50 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.80 2f77 n TRP 44 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2f77 n PHE 45 N 0.00 0.00 -1.63 -5.99 3.72 -1.21 -4.31 117.46 108.03 2f77 n PHE 45 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 2f77 n PHE 45 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 2f77 n PHE 45 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2f77 s PRO 46 N 0.00 3.05 0.19 -1.08 0.02 -1.26 -4.96 135.00 130.95 2f77 s PRO 46 Ca 0.00 0.93 -0.33 0.00 0.02 0.00 0.00 61.00 61.62 2f77 s PRO 46 Cb 0.00 -2.01 -0.13 0.00 0.02 0.00 0.00 34.50 32.38 2f77 s PRO 46 CO 0.00 -1.01 1.63 1.04 -0.33 0.00 0.00 177.00 178.33 2f77 n GLN 47 N -3.03 2.41 -2.10 5.54 6.02 -1.26 -4.98 117.38 119.99 2f77 n GLN 47 Ca 0.07 0.87 -0.28 0.00 -0.01 0.00 0.00 57.00 57.65 2f77 n GLN 47 Cb 0.54 -2.67 0.19 0.00 1.02 0.00 0.00 30.24 29.31 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 0.95 0.62 0.00 -1.09 2.02 -1.26 -5.07 118.70 114.87 2f77 s GLU 48 Ca 0.77 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 55.06 2f77 s GLU 48 Cb -0.60 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 31.68 2f77 s GLU 48 CO 0.36 -2.36 0.00 0.41 0.02 0.00 0.00 175.26 173.70 2f77 n GLY 49 N -3.64 0.61 3.22 -1.39 0.00 -1.26 -5.14 105.19 97.60 2f77 n GLY 49 Ca 0.17 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 0.34 1.53 -0.04 2.61 2.01 -1.26 -4.93 115.64 115.91 2f77 s THR 50 Ca 0.00 -1.13 0.02 0.00 0.31 0.00 0.00 61.69 60.89 2f77 s THR 50 Cb 0.00 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.18 2f77 s THR 50 CO 0.00 0.17 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.50 2f77 s ILE 51 N -0.79 0.83 0.22 1.82 -1.16 -1.26 -5.04 121.20 115.83 2f77 s ILE 51 Ca 0.06 -0.34 -0.30 0.00 -0.51 0.00 0.00 60.65 59.56 2f77 s ILE 51 Cb -0.08 -0.77 -0.10 0.00 0.61 0.00 0.00 42.46 42.12 2f77 s ILE 51 CO 0.02 0.28 1.42 -1.81 -2.81 0.00 0.00 174.94 172.03 2f77 s ASP 52 N 0.51 6.72 0.34 4.50 1.01 -1.26 -4.89 116.67 123.60 2f77 s ASP 52 Ca -0.09 2.57 0.13 0.00 0.71 0.00 0.00 52.55 55.88 2f77 s ASP 52 Cb -0.12 -2.61 0.59 0.00 1.01 0.00 0.00 42.92 41.78 2f77 s ASP 52 CO 0.01 -0.67 1.73 0.40 0.21 0.00 0.00 175.17 176.85 2f77 h ILE 53 N 3.68 1.24 -0.55 0.77 2.04 -1.95 -2.53 117.51 120.21 2f77 h ILE 53 Ca -0.45 -1.65 0.01 0.00 1.00 0.00 0.00 64.86 63.77 2f77 h ILE 53 Cb 1.21 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 39.18 2f77 h ILE 53 CO 0.80 0.46 0.36 0.11 0.00 0.00 0.00 178.15 179.87 2f77 h LYS 54 N 0.00 0.70 0.00 2.37 1.57 -1.89 -1.96 116.57 117.36 2f77 h LYS 54 Ca -0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2f77 h LYS 54 Cb 0.88 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2f77 h LYS 54 CO 0.06 0.47 -0.29 0.35 -0.57 0.00 0.00 179.45 179.47 2f77 h PHE 55 N 0.72 0.00 -0.90 -1.35 3.04 -1.92 -3.22 116.94 113.32 2f77 h PHE 55 Ca 0.21 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.26 2f77 h PHE 55 Cb -0.05 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.39 2f77 h PHE 55 CO -0.04 0.29 0.58 2.35 -2.02 0.00 0.00 178.31 179.46 2f77 h TRP 56 N 0.00 0.95 -0.73 0.41 7.01 -0.91 -0.41 115.95 122.27 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 1.12 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.84 2f77 h TRP 56 CO 0.00 0.42 0.41 0.00 -2.79 0.00 0.00 178.44 176.48 2f77 h ARG 57 N 0.87 1.01 -0.39 2.65 2.47 -1.55 -0.91 114.38 118.52 2f77 h ARG 57 Ca 0.42 -0.11 -0.11 0.00 -1.26 0.00 0.00 59.98 58.92 2f77 h ARG 57 Cb 0.46 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 2f77 h ARG 57 CO -0.19 0.74 -0.20 0.00 0.56 0.00 0.00 179.97 180.89 2f77 h ARG 58 N 1.00 0.75 -0.52 0.04 3.08 -1.29 -2.15 114.38 115.29 2f77 h ARG 58 Ca 0.26 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2f77 h ARG 58 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2f77 h ARG 58 CO -0.04 0.89 0.13 0.28 -1.07 0.00 0.00 179.97 180.15 2f77 h VAL 59 N 0.66 1.24 -0.27 2.04 2.07 -0.62 0.17 116.25 121.54 2f77 h VAL 59 Ca 0.10 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2f77 h VAL 59 Cb 0.69 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2f77 h VAL 59 CO 0.05 0.31 0.08 1.23 0.02 0.00 0.00 177.57 179.26 2f77 h GLY 60 N 0.72 0.46 1.36 2.17 0.00 -1.02 0.35 103.07 107.12 2f77 h GLY 60 Ca 0.16 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 2f77 h GLY 60 CO 0.00 0.26 -0.15 -0.55 0.00 0.00 0.00 176.54 176.11 2f77 h ASP 61 N 0.28 0.75 -0.14 0.19 3.32 -1.25 -1.10 116.42 118.47 2f77 h ASP 61 Ca 0.09 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 2f77 h ASP 61 Cb 0.26 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2f77 h ASP 61 CO -0.00 0.91 -0.33 0.00 -1.72 0.00 0.00 179.24 178.09 2f77 h PHE 63 N 0.07 0.56 -0.75 0.00 -1.00 -0.23 -2.17 116.94 113.42 2f77 h PHE 63 Ca -0.00 -0.06 0.01 0.00 2.81 0.00 0.00 57.97 60.73 2f77 h PHE 63 Cb 0.94 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 40.30 2f77 h PHE 63 CO 0.10 0.54 0.50 0.37 -1.61 0.00 0.00 178.31 178.22 2f77 h GLN 64 N 0.41 0.98 -0.31 1.51 4.15 -1.23 -0.41 115.11 120.22 2f77 h GLN 64 Ca 0.11 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 2f77 h GLN 64 Cb 0.25 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 2f77 h GLN 64 CO -0.00 0.65 0.13 -0.44 -1.93 0.00 0.00 178.83 177.23 2f77 h ASP 65 N 1.01 0.42 0.13 -0.69 3.32 -1.01 -2.43 116.42 117.17 2f77 h ASP 65 Ca 0.28 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2f77 h ASP 65 Cb -0.10 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2f77 h ASP 65 CO -0.06 0.46 -0.23 1.88 -1.72 0.00 0.00 179.24 179.57 2f77 h TYR 66 N 0.35 0.21 0.43 4.55 0.05 -0.77 -1.38 116.97 120.41 2f77 h TYR 66 Ca 0.10 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2f77 h TYR 66 Cb 0.17 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 2f77 h TYR 66 CO -0.01 0.42 -0.25 -0.92 -1.05 0.00 0.00 178.16 176.35 2f77 h TYR 67 N 0.18 -0.65 -0.30 4.88 3.20 -0.61 0.33 116.97 124.01 2f77 h TYR 67 Ca 0.03 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 2f77 h TYR 67 Cb 0.51 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2f77 h TYR 67 CO 0.01 -0.39 -0.25 -0.91 -1.64 0.00 0.00 178.16 174.98 2f77 h ASN 68 N -0.64 0.59 -0.38 -2.11 2.35 -1.39 2.23 115.58 116.23 2f77 h ASN 68 Ca -0.05 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 2f77 h ASN 68 Cb 0.52 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2f77 h ASN 68 CO 0.07 0.83 0.02 0.74 -1.65 0.00 0.00 177.43 177.44 2f77 h THR 69 N 0.51 1.25 0.00 2.81 2.02 -0.89 -3.39 112.91 115.22 2f77 h THR 69 Ca 0.07 -0.95 -0.10 0.00 0.77 0.00 0.00 66.41 66.21 2f77 h THR 69 Cb 0.70 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 2f77 h THR 69 CO 0.05 0.32 -1.14 0.49 0.37 0.00 0.00 175.52 175.62 2f77 n PHE 70 N -4.49 0.00 -0.20 3.16 3.72 0.11 -5.08 117.46 114.69 2f77 n PHE 70 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2f77 n PHE 70 Cb 0.26 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.90 0.13 1.37 0.00 0.75 -4.86 105.19 106.11 2f77 n GLY 71 Ca -0.12 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.17 2f77 n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f77 h PRO 72 N 3.40 0.00 0.02 1.61 0.13 -1.80 -3.25 132.00 132.10 2f77 h PRO 72 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2f77 h PRO 72 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2f77 h PRO 72 CO 0.00 0.00 -0.01 0.93 -0.23 0.00 0.00 178.00 178.69 2f77 h GLU 73 N 0.00 -0.03 -0.41 0.86 5.08 -1.93 0.33 114.58 118.48 2f77 h GLU 73 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2f77 h GLU 73 Cb 0.51 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2f77 h GLU 73 CO 0.00 0.08 0.04 0.87 -1.00 0.00 0.00 179.01 179.00 2f77 h LYS 74 N -0.12 0.70 -1.77 2.33 1.79 -1.90 -3.40 116.57 114.19 2f77 h LYS 74 Ca -0.00 -0.20 -0.32 0.00 -2.18 0.00 0.00 60.65 57.94 2f77 h LYS 74 Cb 0.11 -0.07 -0.29 0.00 -1.58 0.00 0.00 32.23 30.40 2f77 h LYS 74 CO 0.00 0.76 -0.66 0.14 -1.08 0.00 0.00 179.45 178.62 2f77 s VAL 75 N -5.11 -0.43 0.48 0.50 -7.23 -1.11 -4.95 120.40 102.55 2f77 s VAL 75 Ca -0.13 -0.94 -0.07 0.00 -1.81 0.00 0.00 61.98 59.03 2f77 s VAL 75 Cb 0.10 -0.56 0.11 0.00 0.56 0.00 0.00 36.38 36.59 2f77 s VAL 75 CO 0.79 -0.50 0.65 -0.81 -0.31 0.00 0.00 175.10 174.92 2f77 n PRO 76 N 4.11 -0.50 0.27 4.82 -0.04 0.11 -4.56 135.00 139.21 2f77 n PRO 76 Ca 0.13 -1.12 0.18 0.00 -0.04 0.00 0.00 63.50 62.64 2f77 n PRO 76 Cb 0.48 -0.64 0.92 0.00 -0.04 0.00 0.00 33.50 34.22 2f77 n PRO 76 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2f77 h VAL 77 N -1.23 0.00 -0.16 0.52 -1.51 -1.99 -1.84 116.25 110.04 2f77 h VAL 77 Ca -0.21 -0.09 -0.02 0.00 -1.23 0.00 0.00 66.70 65.14 2f77 h VAL 77 Cb 0.61 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 2f77 h VAL 77 CO 0.16 0.00 -0.00 0.71 -1.23 0.00 0.00 177.57 177.21 2f77 h THR 78 N 0.00 1.11 -0.72 7.19 1.35 -1.95 -1.87 112.91 118.02 2f77 h THR 78 Ca 0.00 -0.41 -0.05 0.00 -0.55 0.00 0.00 66.41 65.40 2f77 h THR 78 Cb 0.11 1.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.49 2f77 h THR 78 CO 0.00 0.14 0.27 0.00 -0.25 0.00 0.00 175.52 175.67 2f77 h ALA 79 N 1.78 0.94 -0.43 6.62 0.00 -1.67 -1.70 119.26 124.80 2f77 h ALA 79 Ca 0.05 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2f77 h ALA 79 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2f77 h ALA 79 CO 0.00 0.59 -0.22 0.74 0.00 0.00 0.00 179.25 180.36 2f77 h PHE 80 N 1.05 1.00 0.12 0.00 -1.00 -1.51 -1.68 116.94 114.93 2f77 h PHE 80 Ca 0.24 -0.24 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2f77 h PHE 80 Cb 0.25 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.57 2f77 h PHE 80 CO 0.02 1.01 -0.06 1.03 -1.61 0.00 0.00 178.31 178.70 2f77 h SER 81 N 0.76 -0.14 -0.54 2.17 0.87 -1.02 0.23 113.55 115.87 2f77 h SER 81 Ca 0.10 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2f77 h SER 81 Cb 0.76 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.74 2f77 h SER 81 CO 0.06 -0.04 0.33 1.88 -0.53 0.00 0.00 176.83 178.53 2f77 h TYR 82 N -0.23 0.71 -0.50 2.24 0.05 -1.28 -2.13 116.97 115.83 2f77 h TYR 82 Ca -0.02 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 2f77 h TYR 82 Cb 0.18 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2f77 h TYR 82 CO -0.05 0.49 0.10 2.35 -1.05 0.00 0.00 178.16 180.00 2f77 h TRP 83 N 0.73 0.80 -0.62 4.88 2.91 -1.06 -2.51 115.95 121.07 2f77 h TRP 83 Ca 0.20 -0.08 0.06 0.00 1.13 0.00 0.00 58.89 60.20 2f77 h TRP 83 Cb -0.02 -0.23 -0.06 0.00 -0.51 0.00 0.00 29.16 28.34 2f77 h TRP 83 CO -0.03 0.69 0.32 -0.91 -1.03 0.00 0.00 178.44 177.48 2f77 h ASN 84 N 0.74 0.46 -0.77 2.65 2.35 0.12 0.25 115.58 121.38 2f77 h ASN 84 Ca 0.16 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 2f77 h ASN 84 Cb 0.31 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 2f77 h ASN 84 CO 0.00 0.29 0.30 -0.07 -1.65 0.00 0.00 177.43 176.31 2f77 h LEU 85 N 0.60 1.07 -0.50 1.61 3.38 -1.19 -2.68 115.31 117.59 2f77 h LEU 85 Ca 0.28 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2f77 h LEU 85 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2f77 h LEU 85 CO -0.20 0.95 0.08 0.40 0.09 0.00 0.00 178.44 179.76 2f77 h ILE 86 N 1.12 1.25 -1.00 1.22 1.08 -0.82 -2.36 117.51 118.00 2f77 h ILE 86 Ca 0.26 -0.94 0.13 0.00 -0.39 0.00 0.00 64.86 63.91 2f77 h ILE 86 Cb 0.22 0.89 -0.09 0.00 -3.07 0.00 0.00 36.82 34.77 2f77 h ILE 86 CO -0.02 0.34 0.63 0.50 -0.69 0.00 0.00 178.15 178.91 2f77 h LYS 87 N 0.72 0.94 -0.29 2.37 3.64 -0.25 -0.31 116.57 123.39 2f77 h LYS 87 Ca 0.15 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 2f77 h LYS 87 Cb 0.41 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2f77 h LYS 87 CO 0.01 0.62 -0.50 0.93 -2.27 0.00 0.00 179.45 178.24 2f77 h GLU 88 N 0.97 0.83 -0.44 1.90 5.08 -1.21 0.15 114.58 121.86 2f77 h GLU 88 Ca 0.51 -0.50 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2f77 h GLU 88 Cb 0.53 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2f77 h GLU 88 CO -0.28 1.13 0.11 -0.07 -1.00 0.00 0.00 179.01 178.91 2f77 h LEU 89 N 0.65 0.66 -0.03 1.33 -0.00 -0.65 -0.48 115.31 116.78 2f77 h LEU 89 Ca 0.03 -0.23 -0.26 0.00 -0.00 0.00 0.00 57.88 57.42 2f77 h LEU 89 Cb 1.09 -0.17 0.02 0.00 -0.00 0.00 0.00 40.66 41.59 2f77 h LEU 89 CO 0.11 0.71 -1.04 0.16 -0.00 0.00 0.00 178.44 178.38 2f77 h ILE 90 N 0.57 1.31 -0.47 1.22 3.07 -1.09 -2.10 117.51 120.03 2f77 h ILE 90 Ca 0.14 -2.34 -0.01 0.00 1.55 0.00 0.00 64.86 64.21 2f77 h ILE 90 Cb 0.31 2.43 -0.02 0.00 -0.27 0.00 0.00 36.82 39.27 2f77 h ILE 90 CO 0.00 0.71 0.27 0.44 -1.05 0.00 0.00 178.15 178.52 2f77 h ASP 91 N 0.33 0.57 -0.37 2.16 3.32 -0.56 -2.78 116.42 119.09 2f77 h ASP 91 Ca -0.12 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 2f77 h ASP 91 Cb 1.69 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 2f77 h ASP 91 CO 0.20 0.48 -0.24 0.11 -1.72 0.00 0.00 179.24 178.07 2f77 h LYS 92 N 0.62 0.81 -6.37 3.56 1.57 -1.13 -3.43 116.57 112.20 2f77 h LYS 92 Ca 0.17 -0.38 -0.54 0.00 -1.87 0.00 0.00 60.65 58.02 2f77 h LYS 92 Cb 0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2f77 h LYS 92 CO -0.03 1.01 0.13 0.21 -0.57 0.00 0.00 179.45 180.20 2f77 s LYS 93 N -4.53 4.47 0.38 3.15 2.20 -0.79 -5.01 119.74 119.60 2f77 s LYS 93 Ca -0.12 1.03 -0.27 0.00 -0.36 0.00 0.00 55.97 56.25 2f77 s LYS 93 Cb 0.10 -3.30 -0.11 0.00 -1.51 0.00 0.00 37.83 33.01 2f77 s LYS 93 CO 0.84 0.47 1.33 0.39 -0.36 0.00 0.00 175.35 178.02 2f77 n GLU 94 N 2.10 2.18 0.00 4.03 1.02 -1.26 -4.73 120.64 123.98 2f77 n GLU 94 Ca -0.05 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 2f77 n GLU 94 Cb 0.50 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 2f77 n GLU 94 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2f77 n VAL 95 N 0.17 0.00 -3.65 2.62 3.14 -1.26 -5.06 118.33 114.29 2f77 n VAL 95 Ca 0.05 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.15 2f77 n VAL 95 Cb 0.38 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.05 2f77 n VAL 95 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2f77 s ASN 96 N 1.50 3.20 0.81 6.55 3.84 -1.26 -5.08 114.94 124.50 2f77 s ASN 96 Ca 0.00 -3.34 0.00 0.00 0.21 0.00 0.00 52.86 49.73 2f77 s ASN 96 Cb 0.00 -1.03 0.00 0.00 -0.55 0.00 0.00 41.25 39.67 2f77 s ASN 96 CO 0.00 -0.15 0.00 -2.65 -2.79 0.00 0.00 177.10 171.51 2f77 n PRO 97 N 2.57 -0.92 -0.22 0.43 -0.02 -1.26 -4.59 135.00 131.00 2f77 n PRO 97 Ca 0.23 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.66 2f77 n PRO 97 Cb 0.40 0.00 0.13 0.00 -0.02 0.00 0.00 33.50 34.01 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 1.03 -4.85 -0.52 4.20 -1.99 -3.41 115.11 109.56 2f77 h GLN 98 Ca 0.00 -0.20 -0.58 0.00 0.06 0.00 0.00 58.65 57.93 2f77 h GLN 98 Cb 0.00 -0.16 -0.33 0.00 0.30 0.00 0.00 27.48 27.28 2f77 h GLN 98 CO 0.00 0.86 -0.84 0.08 -0.67 0.00 0.00 178.83 178.26 2f77 s VAL 99 N -5.39 1.50 -2.39 -0.54 1.01 -1.26 -5.13 120.40 108.19 2f77 s VAL 99 Ca -0.11 -0.69 0.29 0.00 0.00 0.00 0.00 61.98 61.47 2f77 s VAL 99 Cb 0.16 -1.33 0.63 0.00 0.00 0.00 0.00 36.38 35.84 2f77 s VAL 99 CO 0.82 0.44 1.86 0.23 0.00 0.00 0.00 175.10 178.44