#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 0.70 3.24 3.03 0.00 -1.26 -4.93 105.19 105.97 2f77 n GLY 2 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.07 1.01 -0.10 1.61 -0.21 -1.26 -5.08 119.66 115.57 2f77 s GLN 3 Ca 0.00 -1.12 -0.36 0.00 0.02 0.00 0.00 55.36 53.91 2f77 s GLN 3 Cb 0.00 -1.12 -0.13 0.00 1.00 0.00 0.00 33.01 32.76 2f77 s GLN 3 CO 0.00 0.25 1.79 0.39 -2.12 0.00 0.00 175.29 175.60 2f77 n GLU 4 N 1.02 1.87 -1.50 2.91 1.02 -1.26 -4.72 120.64 119.98 2f77 n GLU 4 Ca -0.19 0.69 -0.13 0.00 -0.02 0.00 0.00 57.16 57.50 2f77 n GLU 4 Cb 0.54 -2.47 -0.10 0.00 -0.02 0.00 0.00 31.44 29.39 2f77 n GLU 4 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2f77 n LEU 5 N 5.78 0.84 -4.92 -4.62 4.77 -1.26 -4.88 117.00 112.71 2f77 n LEU 5 Ca 0.23 -1.70 -0.28 0.00 -0.03 0.00 0.00 56.01 54.23 2f77 n LEU 5 Cb 0.25 -1.44 0.10 0.00 -2.33 0.00 0.00 43.42 40.00 2f77 n LEU 5 CO 0.74 -2.74 0.75 -0.94 -1.33 0.00 0.00 177.39 173.87 2f77 s SER 6 N 7.62 4.33 0.20 -1.43 1.04 -1.26 -4.69 113.70 119.50 2f77 s SER 6 Ca 0.85 0.57 -0.11 0.00 0.48 0.00 0.00 55.95 57.74 2f77 s SER 6 Cb -0.18 -1.02 0.23 0.00 0.10 0.00 0.00 66.02 65.15 2f77 s SER 6 CO 0.17 -1.98 1.75 1.56 0.98 0.00 0.00 173.24 175.73 2f77 h GLN 7 N -1.03 0.41 -0.49 4.02 4.20 -1.98 0.52 115.11 120.76 2f77 h GLN 7 Ca -0.45 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.15 2f77 h GLN 7 Cb 1.31 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 2f77 h GLN 7 CO 0.59 0.27 -0.03 1.25 -0.67 0.00 0.00 178.83 180.24 2f77 h HIS 8 N 0.42 0.97 -0.43 2.96 2.76 -1.97 -0.30 115.15 119.56 2f77 h HIS 8 Ca 0.28 -0.18 -0.10 0.00 -2.20 0.00 0.00 60.37 58.17 2f77 h HIS 8 Cb 0.30 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2f77 h HIS 8 CO -0.15 0.92 -0.13 0.93 -1.30 0.00 0.00 177.93 178.20 2f77 h GLU 9 N 0.74 0.79 -0.27 5.26 5.08 -1.65 -2.55 114.58 121.97 2f77 h GLU 9 Ca 0.13 -0.27 -0.16 0.00 -1.00 0.00 0.00 59.36 58.06 2f77 h GLU 9 Cb 0.56 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2f77 h GLU 9 CO 0.03 0.88 -0.48 0.00 -1.00 0.00 0.00 179.01 178.44 2f77 h ARG 10 N 0.71 0.74 -0.03 2.33 3.08 0.22 -1.72 114.38 119.72 2f77 h ARG 10 Ca 0.12 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 2f77 h ARG 10 Cb 0.62 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2f77 h ARG 10 CO 0.04 1.05 0.02 -0.92 -1.07 0.00 0.00 179.97 179.09 2f77 h TYR 11 N 0.59 0.04 0.00 3.04 3.20 -0.82 -1.50 116.97 121.51 2f77 h TYR 11 Ca 0.03 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2f77 h TYR 11 Cb 1.05 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2f77 h TYR 11 CO 0.06 0.05 -0.30 -0.39 -1.64 0.00 0.00 178.16 175.93 2f77 h VAL 12 N 0.01 0.98 -0.58 1.81 -1.51 -1.46 -2.71 116.25 112.79 2f77 h VAL 12 Ca 0.01 -1.13 -0.09 0.00 -1.23 0.00 0.00 66.70 64.26 2f77 h VAL 12 Cb 0.03 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.82 2f77 h VAL 12 CO -0.00 0.30 0.01 -0.08 -1.23 0.00 0.00 177.57 176.57 2f77 h GLU 13 N 0.00 1.02 -0.55 5.19 4.81 -0.55 -1.61 114.58 122.89 2f77 h GLU 13 Ca -0.00 -0.32 -0.10 0.00 -0.13 0.00 0.00 59.36 58.81 2f77 h GLU 13 Cb 0.63 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2f77 h GLU 13 CO 0.04 1.00 -0.05 0.37 -0.73 0.00 0.00 179.01 179.64 2f77 h GLN 14 N 0.91 0.99 -0.80 1.92 5.75 -1.00 -2.45 115.11 120.43 2f77 h GLN 14 Ca 0.17 -0.33 -0.03 0.00 -0.15 0.00 0.00 58.65 58.31 2f77 h GLN 14 Cb 0.54 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.97 2f77 h GLN 14 CO 0.03 1.00 0.38 1.25 -2.65 0.00 0.00 178.83 178.83 2f77 h LEU 15 N 0.90 1.06 -1.04 -2.39 5.85 -1.25 -2.23 115.31 116.21 2f77 h LEU 15 Ca 0.15 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2f77 h LEU 15 Cb 0.59 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2f77 h LEU 15 CO 0.04 0.90 0.43 0.50 -0.34 0.00 0.00 178.44 179.97 2f77 h LYS 16 N 1.14 1.10 -0.41 1.25 3.64 -0.98 -1.82 116.57 120.49 2f77 h LYS 16 Ca 0.27 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2f77 h LYS 16 Cb 0.13 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 2f77 h LYS 16 CO -0.03 0.81 0.20 1.96 -2.27 0.00 0.00 179.45 180.12 2f77 h GLN 17 N 1.11 0.40 -0.47 1.90 4.20 -0.95 -0.85 115.11 120.45 2f77 h GLN 17 Ca 0.28 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 2f77 h GLN 17 Cb 0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 2f77 h GLN 17 CO -0.04 0.27 0.18 0.00 -0.67 0.00 0.00 178.83 178.56 2f77 h ALA 18 N 1.22 1.44 -0.72 3.87 0.00 -1.18 -2.06 119.26 121.83 2f77 h ALA 18 Ca 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2f77 h ALA 18 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2f77 h ALA 18 CO -0.12 0.43 0.26 -0.07 0.00 0.00 0.00 179.25 179.74 2f77 h LEU 19 N 0.67 1.00 -0.55 0.00 3.38 -0.38 -2.45 115.31 116.97 2f77 h LEU 19 Ca 0.16 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2f77 h LEU 19 Cb 0.15 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2f77 h LEU 19 CO -0.01 0.90 0.35 0.11 0.09 0.00 0.00 178.44 179.88 2f77 h LYS 20 N 1.05 0.68 -1.00 1.13 1.57 -0.53 -1.54 116.57 117.93 2f77 h LYS 20 Ca 0.24 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 2f77 h LYS 20 Cb 0.24 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 2f77 h LYS 20 CO -0.02 0.45 0.64 1.15 -0.57 0.00 0.00 179.45 181.10 2f77 h THR 21 N 0.70 1.02 0.00 -0.16 2.02 -1.23 0.37 112.91 115.63 2f77 h THR 21 Ca 0.22 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2f77 h THR 21 Cb -0.02 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.22 2f77 h THR 21 CO -0.08 0.20 0.00 0.03 0.37 0.00 0.00 175.52 176.04 2f77 h ARG 22 N 1.09 0.00 0.00 6.66 3.08 -0.99 -3.45 114.38 120.77 2f77 h ARG 22 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 2f77 h ARG 22 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2f77 h ARG 22 CO -0.20 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.11 2f77 n GLY 23 N -0.14 0.71 3.22 0.04 0.00 0.13 -5.11 105.19 104.04 2f77 n GLY 23 Ca 0.01 -0.17 -0.29 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 -0.66 1.77 -0.40 1.61 1.01 -0.85 -4.96 120.40 117.91 2f77 s VAL 24 Ca 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2f77 s VAL 24 Cb 0.00 -1.50 0.14 0.00 0.00 0.00 0.00 36.38 35.03 2f77 s VAL 24 CO 0.00 0.50 0.24 -0.54 0.00 0.00 0.00 175.10 175.30 2f77 s LYS 25 N -0.21 0.91 0.25 2.72 1.02 -1.26 -4.17 119.74 118.99 2f77 s LYS 25 Ca 0.00 -1.72 0.05 0.00 0.02 0.00 0.00 55.97 54.32 2f77 s LYS 25 Cb -0.11 -1.74 -0.05 0.00 -0.52 0.00 0.00 37.83 35.40 2f77 s LYS 25 CO 0.02 -1.22 -0.03 0.14 -0.92 0.00 0.00 175.35 173.34 2f77 s VAL 26 N 0.63 1.31 0.54 3.17 -7.23 -1.26 -5.07 120.40 112.49 2f77 s VAL 26 Ca 0.20 -2.07 -0.17 0.00 -1.81 0.00 0.00 61.98 58.12 2f77 s VAL 26 Cb -0.20 -2.37 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 2f77 s VAL 26 CO -0.02 -0.33 1.02 -0.54 -0.31 0.00 0.00 175.10 174.92 2f77 s LYS 27 N -3.80 3.69 0.36 4.82 1.02 -1.26 -4.93 119.74 119.63 2f77 s LYS 27 Ca 0.28 1.12 0.04 0.00 0.02 0.00 0.00 55.97 57.43 2f77 s LYS 27 Cb 0.05 -2.09 0.67 0.00 -0.52 0.00 0.00 37.83 35.93 2f77 s LYS 27 CO 0.10 -0.50 1.97 1.88 -0.92 0.00 0.00 175.35 177.88 2f77 h TYR 28 N 0.86 0.65 -0.37 3.18 0.05 -2.00 -1.03 116.97 118.31 2f77 h TYR 28 Ca -0.47 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.33 2f77 h TYR 28 Cb 1.20 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.71 2f77 h TYR 28 CO 0.61 0.48 0.25 0.00 -1.05 0.00 0.00 178.16 178.45 2f77 h ALA 29 N 1.59 1.92 -0.52 3.88 0.00 -1.91 -1.72 119.26 122.50 2f77 h ALA 29 Ca 0.17 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2f77 h ALA 29 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2f77 h ALA 29 CO -0.02 0.02 0.30 0.22 0.00 0.00 0.00 179.25 179.77 2f77 h ASP 30 N 0.34 0.49 -0.39 0.00 3.58 -1.55 0.37 116.42 119.26 2f77 h ASP 30 Ca 0.16 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2f77 h ASP 30 Cb 0.20 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2f77 h ASP 30 CO -0.03 0.34 0.16 -0.07 -2.88 0.00 0.00 179.24 176.76 2f77 h LEU 31 N 0.60 0.53 -0.46 2.28 -0.00 -1.37 0.43 115.31 117.32 2f77 h LEU 31 Ca 0.21 -0.16 -0.04 0.00 -0.00 0.00 0.00 57.88 57.89 2f77 h LEU 31 Cb 0.04 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.54 2f77 h LEU 31 CO -0.10 0.55 0.12 -0.07 -0.00 0.00 0.00 178.44 178.94 2f77 h LEU 32 N 0.48 0.69 -0.85 1.67 3.38 -1.13 -2.62 115.31 116.93 2f77 h LEU 32 Ca 0.13 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2f77 h LEU 32 Cb 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2f77 h LEU 32 CO -0.01 0.73 -0.42 0.11 0.09 0.00 0.00 178.44 178.94 2f77 h LYS 33 N 0.61 0.33 -0.17 1.13 1.57 -0.03 -2.53 116.57 117.47 2f77 h LYS 33 Ca 0.15 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2f77 h LYS 33 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2f77 h LYS 33 CO -0.00 0.70 0.07 0.35 -0.57 0.00 0.00 179.45 180.00 2f77 h PHE 34 N 0.27 0.13 -0.55 -1.35 3.57 0.19 0.29 116.94 119.50 2f77 h PHE 34 Ca 0.02 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 2f77 h PHE 34 Cb 0.86 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2f77 h PHE 34 CO 0.02 0.07 0.11 0.74 -2.23 0.00 0.00 178.31 177.02 2f77 h PHE 35 N 0.16 0.94 -0.55 0.41 0.04 -1.38 -1.39 116.94 115.17 2f77 h PHE 35 Ca 0.07 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 2f77 h PHE 35 Cb 0.03 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 2f77 h PHE 35 CO -0.10 0.82 0.22 -0.44 -0.60 0.00 0.00 178.31 178.21 2f77 h ASP 36 N 0.78 0.76 -0.43 2.17 3.32 -1.02 -1.66 116.42 120.34 2f77 h ASP 36 Ca 0.17 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2f77 h ASP 36 Cb 0.37 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2f77 h ASP 36 CO 0.01 0.72 0.22 0.15 -1.72 0.00 0.00 179.24 178.61 2f77 h PHE 37 N 0.75 0.61 -0.28 4.55 3.57 -0.19 0.23 116.94 126.17 2f77 h PHE 37 Ca 0.18 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2f77 h PHE 37 Cb 0.20 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2f77 h PHE 37 CO 0.01 0.48 0.16 0.28 -2.23 0.00 0.00 178.31 177.01 2f77 h VAL 38 N 0.56 1.02 -0.34 1.41 2.07 -0.99 -1.41 116.25 118.57 2f77 h VAL 38 Ca 0.15 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 2f77 h VAL 38 Cb 0.09 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2f77 h VAL 38 CO -0.02 0.06 -0.17 0.11 0.02 0.00 0.00 177.57 177.57 2f77 h LYS 39 N 0.33 0.61 0.00 1.57 1.57 -1.05 -1.95 116.57 117.65 2f77 h LYS 39 Ca 0.11 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2f77 h LYS 39 Cb 0.01 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2f77 h LYS 39 CO -0.06 0.75 0.00 -0.44 -0.57 0.00 0.00 179.45 179.13 2f77 h ASP 40 N 0.55 0.00 0.37 0.86 3.32 0.21 -2.55 116.42 119.17 2f77 h ASP 40 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2f77 h ASP 40 Cb 0.60 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2f77 h ASP 40 CO 0.04 0.00 -0.43 0.74 -1.72 0.00 0.00 179.24 177.87 2f77 h THR 41 N 0.00 0.00 0.00 0.35 2.02 -0.46 -2.94 112.91 111.88 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 0.24 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2f77 h THR 41 CO 0.00 0.00 -0.70 0.00 0.37 0.00 0.00 175.52 175.19 2f77 h PRO 43 N -0.70 0.05 0.00 0.00 0.11 -1.67 -3.44 132.00 126.35 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 0.70 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2f77 h PRO 43 CO 0.00 0.03 0.00 0.91 -0.21 0.00 0.00 178.00 178.73 2f77 n TRP 44 N -5.38 0.00 0.00 0.65 8.01 -1.14 -5.00 117.44 114.58 2f77 n TRP 44 Ca 0.26 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.45 2f77 n TRP 44 Cb 0.87 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.17 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 -0.13 -5.99 -0.00 -1.11 -4.30 117.46 105.93 2f77 n PHE 45 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.60 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 0.37 -6.59 -7.13 0.11 -1.99 -3.41 132.00 113.36 2f77 h PRO 46 Ca 0.00 -0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.56 2f77 h PRO 46 Cb 0.00 -0.08 0.04 0.00 0.11 0.00 0.00 31.00 31.07 2f77 h PRO 46 CO 0.00 0.25 0.94 -0.65 -0.21 0.00 0.00 178.00 178.33 2f77 s GLN 47 N -5.38 4.19 0.13 1.05 -1.52 -1.26 -4.99 119.66 111.88 2f77 s GLN 47 Ca -0.08 2.43 -0.07 0.00 -1.95 0.00 0.00 55.36 55.69 2f77 s GLN 47 Cb 0.20 -3.22 -0.01 0.00 -0.22 0.00 0.00 33.01 29.76 2f77 s GLN 47 CO 0.76 -0.67 0.19 -1.21 -0.25 0.00 0.00 175.29 174.11 2f77 s GLU 48 N 1.44 0.99 0.21 2.91 2.02 -1.26 -4.97 118.70 120.04 2f77 s GLU 48 Ca 0.72 -1.16 -0.14 0.00 0.02 0.00 0.00 54.97 54.41 2f77 s GLU 48 Cb -0.45 0.33 0.01 0.00 0.10 0.00 0.00 34.13 34.12 2f77 s GLU 48 CO 0.32 -0.33 0.47 0.20 0.02 0.00 0.00 175.26 175.94 2f77 s GLY 49 N -2.95 0.24 0.16 -1.39 0.00 -1.26 -5.12 107.32 97.01 2f77 s GLY 49 Ca 0.14 -0.59 -0.32 0.00 0.00 0.00 0.00 44.72 43.95 2f77 s GLY 49 CO -0.04 -0.50 1.58 -1.59 0.00 0.00 0.00 173.10 172.55 2f77 s THR 50 N -3.94 2.61 -0.10 0.90 2.01 -1.26 -4.99 115.64 110.87 2f77 s THR 50 Ca 0.15 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.61 2f77 s THR 50 Cb -0.00 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 2f77 s THR 50 CO 0.02 0.03 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.16 2f77 s ILE 51 N 1.21 2.49 -0.19 1.82 -1.09 -1.26 -5.00 121.20 119.17 2f77 s ILE 51 Ca 0.70 -0.88 -0.16 0.00 -2.23 0.00 0.00 60.65 58.09 2f77 s ILE 51 Cb -0.44 -1.98 -0.04 0.00 -1.58 0.00 0.00 42.46 38.42 2f77 s ILE 51 CO 0.31 0.55 0.40 -0.62 -1.23 0.00 0.00 174.94 174.35 2f77 s ASP 52 N 0.18 6.46 0.44 3.58 -1.08 -1.26 -4.91 116.67 120.08 2f77 s ASP 52 Ca -0.11 0.54 0.07 0.00 -0.52 0.00 0.00 52.55 52.53 2f77 s ASP 52 Cb -0.16 -2.23 0.39 0.00 -1.46 0.00 0.00 42.92 39.46 2f77 s ASP 52 CO 0.06 -0.06 1.10 0.40 0.52 0.00 0.00 175.17 177.19 2f77 h ILE 53 N 4.98 0.00 -0.32 4.11 2.04 -1.98 1.01 117.51 127.34 2f77 h ILE 53 Ca -0.37 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 2f77 h ILE 53 Cb 1.16 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2f77 h ILE 53 CO 0.72 0.00 -0.22 0.11 0.00 0.00 0.00 178.15 178.76 2f77 h LYS 54 N 0.00 0.60 0.00 2.37 1.57 -2.01 -2.47 116.57 116.63 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 1.27 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2f77 h LYS 54 CO 0.00 0.78 -0.24 1.19 -0.57 0.00 0.00 179.45 180.61 2f77 n PHE 55 N -4.12 0.15 -0.15 -1.35 3.72 0.35 -3.85 117.46 112.20 2f77 n PHE 55 Ca 0.00 0.04 -0.06 0.00 -0.05 0.00 0.00 57.45 57.39 2f77 n PHE 55 Cb 0.41 -0.47 0.03 0.00 -0.94 0.00 0.00 39.48 38.50 2f77 n PHE 55 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 2f77 h TRP 56 N 0.00 0.46 -0.53 1.38 7.01 -1.38 0.21 115.95 123.10 2f77 h TRP 56 Ca 0.00 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 2f77 h TRP 56 Cb 0.55 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 2f77 h TRP 56 CO 0.00 0.25 0.25 0.00 -2.79 0.00 0.00 178.44 176.16 2f77 h ARG 57 N 0.50 0.77 -0.17 2.65 3.08 -1.69 0.39 114.38 119.90 2f77 h ARG 57 Ca 0.19 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2f77 h ARG 57 Cb 0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2f77 h ARG 57 CO -0.11 0.64 0.07 0.00 -1.07 0.00 0.00 179.97 179.49 2f77 h ARG 58 N 0.71 0.25 -0.39 0.04 2.47 -1.57 0.05 114.38 115.95 2f77 h ARG 58 Ca 0.18 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.81 2f77 h ARG 58 Cb 0.12 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 2f77 h ARG 58 CO -0.02 0.33 0.07 0.28 0.56 0.00 0.00 179.97 181.19 2f77 h VAL 59 N 0.12 1.24 -0.21 2.04 2.07 -0.40 0.11 116.25 121.22 2f77 h VAL 59 Ca 0.06 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.76 2f77 h VAL 59 Cb 0.17 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2f77 h VAL 59 CO -0.00 0.29 0.07 1.23 0.02 0.00 0.00 177.57 179.17 2f77 h GLY 60 N 0.48 0.25 1.07 2.17 0.00 -0.06 0.25 103.07 107.24 2f77 h GLY 60 Ca 0.12 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 2f77 h GLY 60 CO 0.01 0.03 0.00 -0.55 0.00 0.00 0.00 176.54 176.03 2f77 h ASP 61 N 0.17 1.02 -0.05 0.19 3.32 -0.85 -0.17 116.42 120.05 2f77 h ASP 61 Ca 0.09 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 2f77 h ASP 61 Cb 0.06 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 2f77 h ASP 61 CO -0.09 1.08 0.02 0.00 -1.72 0.00 0.00 179.24 178.53 2f77 h PHE 63 N -0.05 0.98 -0.70 0.00 -1.00 -0.41 -2.16 116.94 113.60 2f77 h PHE 63 Ca 0.02 -0.07 0.04 0.00 2.81 0.00 0.00 57.97 60.76 2f77 h PHE 63 Cb 0.13 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.36 2f77 h PHE 63 CO -0.03 0.77 0.46 0.37 -1.61 0.00 0.00 178.31 178.27 2f77 h GLN 64 N 0.91 0.80 -0.55 1.51 5.75 -0.80 -0.51 115.11 122.23 2f77 h GLN 64 Ca 0.22 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 2f77 h GLN 64 Cb 0.20 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2f77 h GLN 64 CO -0.02 0.53 0.23 -0.44 -2.65 0.00 0.00 178.83 176.48 2f77 h ASP 65 N 0.83 0.74 0.02 -0.69 3.32 -0.56 -1.86 116.42 118.21 2f77 h ASP 65 Ca 0.28 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 2f77 h ASP 65 Cb 0.09 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2f77 h ASP 65 CO -0.08 0.70 -0.31 1.88 -1.72 0.00 0.00 179.24 179.70 2f77 h TYR 66 N 0.74 0.49 0.45 4.55 0.05 -1.03 -1.21 116.97 121.01 2f77 h TYR 66 Ca 0.18 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2f77 h TYR 66 Cb 0.18 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.80 2f77 h TYR 66 CO 0.00 0.70 -0.22 -0.92 -1.05 0.00 0.00 178.16 176.67 2f77 h TYR 67 N 0.37 -0.56 -0.33 4.88 3.20 -0.61 0.33 116.97 124.25 2f77 h TYR 67 Ca 0.05 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2f77 h TYR 67 Cb 0.73 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 2f77 h TYR 67 CO 0.02 -0.31 0.03 -0.91 -1.64 0.00 0.00 178.16 175.35 2f77 h ASN 68 N -0.69 0.46 -0.08 -2.11 2.35 -1.31 1.85 115.58 116.05 2f77 h ASN 68 Ca -0.06 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 2f77 h ASN 68 Cb 0.51 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 2f77 h ASN 68 CO 0.10 0.50 -0.04 0.74 -1.65 0.00 0.00 177.43 177.08 2f77 h THR 69 N 0.48 1.33 0.00 2.81 2.02 -0.87 -3.41 112.91 115.27 2f77 h THR 69 Ca 0.11 -1.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.14 2f77 h THR 69 Cb 0.27 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2f77 h THR 69 CO 0.00 0.30 -1.01 0.49 0.37 0.00 0.00 175.52 175.68 2f77 n PHE 70 N -4.75 0.00 0.00 3.16 3.72 0.11 -5.08 117.46 114.62 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 0.27 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 2.78 0.89 0.27 1.37 0.00 0.63 -4.83 105.19 106.30 2f77 n GLY 71 Ca -0.08 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 2.99 0.00 0.05 1.61 0.11 -1.79 -3.16 132.00 131.81 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 0.10 -0.29 0.93 -0.21 0.00 0.00 178.00 178.54 2f77 h GLU 73 N 0.00 -0.44 -0.40 1.05 5.08 -1.95 2.14 114.58 120.06 2f77 h GLU 73 Ca -0.00 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2f77 h GLU 73 Cb 0.38 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2f77 h GLU 73 CO 0.01 -0.29 -0.06 0.87 -1.00 0.00 0.00 179.01 178.54 2f77 h LYS 74 N -0.46 0.67 -2.02 2.33 1.79 -1.89 -3.37 116.57 113.62 2f77 h LYS 74 Ca 0.05 -0.19 -0.47 0.00 -2.18 0.00 0.00 60.65 57.86 2f77 h LYS 74 Cb 0.52 -0.07 -0.32 0.00 -1.58 0.00 0.00 32.23 30.77 2f77 h LYS 74 CO -0.22 0.73 -0.84 0.14 -1.08 0.00 0.00 179.45 178.19 2f77 s VAL 75 N -4.87 -0.04 0.76 0.50 -7.23 -0.57 -5.00 120.40 103.95 2f77 s VAL 75 Ca -0.08 -2.08 -0.15 0.00 -1.81 0.00 0.00 61.98 57.86 2f77 s VAL 75 Cb 0.15 -0.91 0.06 0.00 0.56 0.00 0.00 36.38 36.24 2f77 s VAL 75 CO 0.80 -0.89 1.23 -2.84 -0.31 0.00 0.00 175.10 173.09 2f77 s PRO 76 N 0.41 1.87 0.07 4.82 0.02 0.71 -4.44 135.00 138.47 2f77 s PRO 76 Ca 0.30 1.85 0.02 0.00 0.02 0.00 0.00 61.00 63.19 2f77 s PRO 76 Cb 0.00 -1.79 0.13 0.00 0.02 0.00 0.00 34.50 32.86 2f77 s PRO 76 CO -0.14 -2.06 0.85 0.28 -0.33 0.00 0.00 177.00 175.60 2f77 n VAL 77 N -2.93 0.89 0.15 3.83 0.31 -1.26 -0.26 118.33 119.06 2f77 n VAL 77 Ca 0.14 0.55 0.03 0.00 -0.01 0.00 0.00 64.34 65.06 2f77 n VAL 77 Cb 0.50 -1.55 0.43 0.00 -0.91 0.00 0.00 33.84 32.30 2f77 n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2f77 h THR 78 N 0.00 1.16 -0.69 2.52 1.03 -1.95 -2.44 112.91 112.54 2f77 h THR 78 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 66.41 65.69 2f77 h THR 78 Cb 0.56 1.23 -0.03 0.00 -1.07 0.00 0.00 68.15 68.83 2f77 h THR 78 CO 0.00 0.22 0.44 0.00 -0.01 0.00 0.00 175.52 176.17 2f77 h ALA 79 N 1.71 0.88 -0.39 0.00 0.00 -0.94 -0.73 119.26 119.77 2f77 h ALA 79 Ca 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2f77 h ALA 79 Cb 0.34 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2f77 h ALA 79 CO 0.02 0.32 0.08 0.74 0.00 0.00 0.00 179.25 180.41 2f77 h PHE 80 N 0.94 0.68 -0.48 0.00 -1.00 -1.63 -0.48 116.94 114.96 2f77 h PHE 80 Ca 0.25 -0.09 0.02 0.00 2.81 0.00 0.00 57.97 60.96 2f77 h PHE 80 Cb -0.08 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.26 2f77 h PHE 80 CO -0.02 0.66 0.29 1.03 -1.61 0.00 0.00 178.31 178.67 2f77 h SER 81 N 0.50 0.49 -0.49 2.17 0.87 -1.21 0.98 113.55 116.85 2f77 h SER 81 Ca 0.12 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 2f77 h SER 81 Cb 0.34 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2f77 h SER 81 CO 0.00 0.35 0.03 1.88 -0.53 0.00 0.00 176.83 178.56 2f77 h TYR 82 N 0.59 0.97 -0.48 2.24 0.05 -0.95 -2.58 116.97 116.81 2f77 h TYR 82 Ca 0.19 -0.14 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 2f77 h TYR 82 Cb -0.00 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.45 2f77 h TYR 82 CO -0.06 0.86 -0.07 2.35 -1.05 0.00 0.00 178.16 180.19 2f77 h TRP 83 N 0.85 0.94 -0.69 4.88 2.91 -0.37 -2.64 115.95 121.83 2f77 h TRP 83 Ca 0.16 -0.16 0.07 0.00 1.13 0.00 0.00 58.89 60.09 2f77 h TRP 83 Cb 0.46 -0.24 -0.06 0.00 -0.51 0.00 0.00 29.16 28.80 2f77 h TRP 83 CO 0.03 0.89 0.37 -0.97 -1.03 0.00 0.00 178.44 177.72 2f77 h ASN 84 N 0.78 0.52 -0.74 2.65 -1.24 -0.42 0.89 115.58 118.02 2f77 h ASN 84 Ca 0.14 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.13 2f77 h ASN 84 Cb 0.57 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 2f77 h ASN 84 CO 0.03 0.33 0.25 -0.07 -1.29 0.00 0.00 177.43 176.68 2f77 h LEU 85 N 0.66 1.06 -0.57 0.34 3.38 -1.34 -2.31 115.31 116.54 2f77 h LEU 85 Ca 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2f77 h LEU 85 Cb 0.25 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2f77 h LEU 85 CO -0.21 0.97 0.22 0.40 0.09 0.00 0.00 178.44 179.91 2f77 h ILE 86 N 1.09 1.23 -0.88 1.22 1.08 -0.83 -0.20 117.51 120.22 2f77 h ILE 86 Ca 0.24 -0.72 0.03 0.00 -0.39 0.00 0.00 64.86 64.02 2f77 h ILE 86 Cb 0.28 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.60 2f77 h ILE 86 CO -0.01 0.27 0.57 0.50 -0.69 0.00 0.00 178.15 178.80 2f77 h LYS 87 N 0.79 1.10 -0.22 2.37 3.64 -0.56 -0.32 116.57 123.36 2f77 h LYS 87 Ca 0.19 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 2f77 h LYS 87 Cb 0.21 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2f77 h LYS 87 CO -0.01 0.73 -0.52 0.93 -2.27 0.00 0.00 179.45 178.30 2f77 h GLU 88 N 1.13 0.63 -0.35 1.90 5.08 -1.04 0.26 114.58 122.18 2f77 h GLU 88 Ca 0.34 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2f77 h GLU 88 Cb -0.03 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2f77 h GLU 88 CO -0.11 0.99 0.09 -0.07 -1.00 0.00 0.00 179.01 178.92 2f77 h LEU 89 N 0.49 0.53 0.08 1.33 3.38 -0.21 -0.25 115.31 120.65 2f77 h LEU 89 Ca 0.02 -0.22 -0.29 0.00 0.09 0.00 0.00 57.88 57.48 2f77 h LEU 89 Cb 1.07 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.70 2f77 h LEU 89 CO 0.10 0.61 -1.21 0.16 0.09 0.00 0.00 178.44 178.20 2f77 h ILE 90 N 0.42 1.34 -0.47 1.22 3.07 -1.06 -2.92 117.51 119.11 2f77 h ILE 90 Ca 0.11 -2.58 -0.00 0.00 1.55 0.00 0.00 64.86 63.94 2f77 h ILE 90 Cb 0.29 2.71 -0.02 0.00 -0.27 0.00 0.00 36.82 39.53 2f77 h ILE 90 CO -0.00 0.78 0.29 -0.78 -1.05 0.00 0.00 178.15 177.39 2f77 h ASP 91 N 0.22 0.56 -0.65 2.16 1.82 -0.40 -2.49 116.42 117.65 2f77 h ASP 91 Ca -0.16 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.42 2f77 h ASP 91 Cb 1.89 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 41.72 2f77 h ASP 91 CO 0.22 0.44 0.33 0.50 -1.61 0.00 0.00 179.24 179.12 2f77 h LYS 92 N 0.63 0.91 -7.00 0.28 3.64 -1.10 -3.42 116.57 110.52 2f77 h LYS 92 Ca 0.17 -0.12 -0.49 0.00 -1.27 0.00 0.00 60.65 58.94 2f77 h LYS 92 Cb -0.03 -0.17 0.04 0.00 -0.41 0.00 0.00 32.23 31.66 2f77 h LYS 92 CO -0.03 0.71 0.44 0.15 -2.27 0.00 0.00 179.45 178.45 2f77 s LYS 93 N -5.78 3.90 -0.70 1.90 -0.14 -0.94 -4.98 119.74 113.00 2f77 s LYS 93 Ca -0.13 1.62 -0.13 0.00 -1.36 0.00 0.00 55.97 55.97 2f77 s LYS 93 Cb 0.14 -2.41 0.18 0.00 -1.68 0.00 0.00 37.83 34.06 2f77 s LYS 93 CO 0.79 -0.39 0.63 -1.21 -0.76 0.00 0.00 175.35 174.40 2f77 s GLU 94 N -2.70 3.23 0.45 1.68 0.41 -1.26 -4.89 118.70 115.62 2f77 s GLU 94 Ca 0.62 -2.21 0.03 0.00 -0.41 0.00 0.00 54.97 53.00 2f77 s GLU 94 Cb -0.25 -4.28 0.01 0.00 -1.78 0.00 0.00 34.13 27.84 2f77 s GLU 94 CO 0.30 -1.28 0.65 0.54 -0.49 0.00 0.00 175.26 174.98 2f77 s VAL 95 N 0.62 3.38 -0.60 2.63 0.11 -1.26 -5.07 120.40 120.21 2f77 s VAL 95 Ca 0.13 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 58.47 2f77 s VAL 95 Cb -0.18 -3.21 0.17 0.00 -1.53 0.00 0.00 36.38 31.62 2f77 s VAL 95 CO -0.04 -0.12 0.43 0.21 -3.33 0.00 0.00 175.10 172.24 2f77 s ASN 96 N -4.30 3.79 0.00 3.54 2.47 -1.26 -5.02 114.94 114.16 2f77 s ASN 96 Ca 0.52 -3.53 0.00 0.00 0.42 0.00 0.00 52.86 50.27 2f77 s ASN 96 Cb -0.10 -1.26 0.00 0.00 -1.45 0.00 0.00 41.25 38.44 2f77 s ASN 96 CO 0.36 -0.12 0.00 -0.81 -3.72 0.00 0.00 177.10 172.80 2f77 n PRO 97 N 2.35 1.25 -0.17 0.43 -0.04 -1.26 -4.96 135.00 132.59 2f77 n PRO 97 Ca 0.21 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.58 2f77 n PRO 97 Cb 0.38 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.85 2f77 n PRO 97 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2f77 h GLN 98 N 0.00 0.79 -4.96 0.54 1.08 -2.04 -3.41 115.11 107.11 2f77 h GLN 98 Ca 0.00 -0.19 -0.58 0.00 -1.45 0.00 0.00 58.65 56.43 2f77 h GLN 98 Cb 0.00 -0.10 -0.33 0.00 -0.05 0.00 0.00 27.48 27.00 2f77 h GLN 98 CO 0.00 0.76 -0.84 0.08 -0.95 0.00 0.00 178.83 177.88 2f77 s VAL 99 N -5.31 1.50 -2.25 -0.54 1.01 -1.26 -5.32 120.40 108.23 2f77 s VAL 99 Ca -0.13 -0.71 0.30 0.00 0.00 0.00 0.00 61.98 61.45 2f77 s VAL 99 Cb 0.11 -1.33 0.73 0.00 0.00 0.00 0.00 36.38 35.90 2f77 s VAL 99 CO 0.79 0.44 1.99 0.80 0.00 0.00 0.00 175.10 179.12