#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f76 s GLY 2 N 0.00 2.16 -0.13 3.03 0.00 -1.26 -5.04 107.32 106.08 2f76 s GLY 2 Ca 0.00 0.55 0.02 0.00 0.00 0.00 0.00 44.72 45.29 2f76 s GLY 2 CO 0.00 0.90 -0.19 1.20 0.00 0.00 0.00 173.10 175.01 2f76 s GLN 3 N -4.08 3.14 0.12 2.90 -1.52 -1.26 -5.01 119.66 113.94 2f76 s GLN 3 Ca 0.67 -0.81 -0.13 0.00 -1.95 0.00 0.00 55.36 53.15 2f76 s GLN 3 Cb -0.21 -2.48 -0.07 0.00 -0.22 0.00 0.00 33.01 30.04 2f76 s GLN 3 CO 0.41 0.08 1.44 0.93 -0.25 0.00 0.00 175.29 177.90 2f76 h GLU 4 N 7.06 0.83 -5.28 2.91 4.39 -2.10 -3.42 114.58 118.97 2f76 h GLU 4 Ca -0.28 -0.46 -0.64 0.00 0.34 0.00 0.00 59.36 58.33 2f76 h GLU 4 Cb 1.21 0.02 -0.23 0.00 -0.10 0.00 0.00 28.75 29.66 2f76 h GLU 4 CO 0.53 1.09 -0.68 -1.17 -1.16 0.00 0.00 179.01 177.63 2f76 s LEU 5 N -8.89 3.17 0.21 1.33 2.96 -1.26 -5.01 118.68 111.19 2f76 s LEU 5 Ca -0.12 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.52 2f76 s LEU 5 Cb 0.10 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 2f76 s LEU 5 CO 0.86 0.15 0.38 -0.94 -1.32 0.00 0.00 176.35 175.49 2f76 s SER 6 N 0.45 -0.04 0.45 3.68 1.04 -1.26 -5.03 113.70 112.99 2f76 s SER 6 Ca -0.04 -0.91 0.17 0.00 0.48 0.00 0.00 55.95 55.65 2f76 s SER 6 Cb -0.14 0.51 1.04 0.00 0.10 0.00 0.00 66.02 67.53 2f76 s SER 6 CO 0.03 -1.02 1.97 1.56 0.98 0.00 0.00 173.24 176.76 2f76 h GLN 7 N 2.38 0.00 -0.65 4.02 1.08 -1.99 -2.59 115.11 117.37 2f76 h GLN 7 Ca -0.29 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.85 2f76 h GLN 7 Cb 1.24 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.65 2f76 h GLN 7 CO 0.42 0.21 0.18 0.45 -0.95 0.00 0.00 178.83 179.14 2f76 h HIS 8 N 0.00 1.06 -0.12 2.96 3.86 -1.99 0.68 115.15 121.61 2f76 h HIS 8 Ca -0.00 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.08 2f76 h HIS 8 Cb 0.41 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 2f76 h HIS 8 CO 0.00 0.87 0.01 0.93 0.86 0.00 0.00 177.93 180.60 2f76 h GLU 9 N 0.94 0.20 -0.47 2.45 5.08 -1.86 -2.59 114.58 118.33 2f76 h GLU 9 Ca 0.21 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2f76 h GLU 9 Cb 0.32 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2f76 h GLU 9 CO -0.00 0.42 0.14 0.00 -1.00 0.00 0.00 179.01 178.57 2f76 h ARG 10 N -0.04 0.70 -0.19 2.33 3.08 -1.39 -2.19 114.38 116.68 2f76 h ARG 10 Ca 0.03 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2f76 h ARG 10 Cb 0.32 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2f76 h ARG 10 CO 0.00 0.62 0.09 -0.92 -1.07 0.00 0.00 179.97 178.69 2f76 h TYR 11 N 0.69 0.17 -0.33 3.04 3.20 -0.68 -2.35 116.97 120.70 2f76 h TYR 11 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2f76 h TYR 11 Cb 0.22 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2f76 h TYR 11 CO 0.01 0.09 0.17 0.28 -1.64 0.00 0.00 178.16 177.08 2f76 h VAL 12 N 0.19 1.15 -1.01 1.81 2.07 -1.20 -2.45 116.25 116.82 2f76 h VAL 12 Ca 0.08 -0.40 0.23 0.00 0.82 0.00 0.00 66.70 67.43 2f76 h VAL 12 Cb 0.02 0.80 -0.12 0.00 -1.52 0.00 0.00 31.29 30.48 2f76 h VAL 12 CO -0.06 0.15 0.61 -0.33 0.02 0.00 0.00 177.57 177.96 2f76 h GLU 13 N 0.41 0.60 -0.15 1.57 4.39 -1.07 0.52 114.58 120.84 2f76 h GLU 13 Ca 0.12 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2f76 h GLU 13 Cb 0.08 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2f76 h GLU 13 CO -0.02 0.40 0.05 1.96 -1.16 0.00 0.00 179.01 180.24 2f76 h GLN 14 N 0.62 0.24 -0.11 2.33 4.20 -0.96 -2.50 115.11 118.93 2f76 h GLN 14 Ca 0.62 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 59.22 2f76 h GLN 14 Cb 1.15 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 2f76 h GLN 14 CO -0.43 0.36 -0.19 -0.07 -0.67 0.00 0.00 178.83 177.83 2f76 h LEU 15 N 0.07 0.17 -0.56 1.46 3.38 -0.65 -2.57 115.31 116.60 2f76 h LEU 15 Ca 0.05 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2f76 h LEU 15 Cb 0.22 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2f76 h LEU 15 CO -0.00 0.37 0.28 0.50 0.09 0.00 0.00 178.44 179.68 2f76 h LYS 16 N 0.16 0.52 -0.02 1.13 3.64 0.37 0.80 116.57 123.17 2f76 h LYS 16 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2f76 h LYS 16 Cb 0.44 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2f76 h LYS 16 CO 0.03 0.34 -0.03 1.96 -2.27 0.00 0.00 179.45 179.48 2f76 h GLN 17 N 0.53 0.06 0.01 1.90 1.08 -1.27 -2.20 115.11 115.22 2f76 h GLN 17 Ca 0.26 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2f76 h GLN 17 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2f76 h GLN 17 CO -0.19 0.60 -0.01 0.00 -0.95 0.00 0.00 178.83 178.29 2f76 h ALA 18 N 0.45 -0.02 -0.95 3.87 0.00 -1.25 -2.61 119.26 118.76 2f76 h ALA 18 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2f76 h ALA 18 Cb 0.60 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2f76 h ALA 18 CO 0.01 -0.49 0.62 -0.07 0.00 0.00 0.00 179.25 179.32 2f76 h LEU 19 N -0.06 0.97 -1.15 0.00 3.38 0.53 -1.14 115.31 117.85 2f76 h LEU 19 Ca -0.00 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2f76 h LEU 19 Cb 0.06 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 2f76 h LEU 19 CO 0.00 0.63 0.59 0.11 0.09 0.00 0.00 178.44 179.86 2f76 h LYS 20 N 1.10 0.96 0.00 1.13 1.57 -1.03 0.09 116.57 120.39 2f76 h LYS 20 Ca 0.40 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 59.00 2f76 h LYS 20 Cb 0.16 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2f76 h LYS 20 CO -0.15 0.63 -0.59 1.79 -0.57 0.00 0.00 179.45 180.57 2f76 h THR 21 N 0.99 1.34 0.00 -0.16 1.35 -0.95 -2.82 112.91 112.67 2f76 h THR 21 Ca 0.41 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 2f76 h THR 21 Cb 0.29 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2f76 h THR 21 CO -0.17 0.57 0.00 0.03 -0.25 0.00 0.00 175.52 175.71 2f76 h ARG 22 N 0.00 0.00 0.00 4.72 3.08 -0.38 -3.45 114.38 118.35 2f76 h ARG 22 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2f76 h ARG 22 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2f76 h ARG 22 CO 0.08 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 2f76 n GLY 23 N -0.10 1.48 3.45 0.04 0.00 -0.98 -4.94 105.19 104.14 2f76 n GLY 23 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2f76 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f76 s VAL 24 N -2.00 3.46 -0.34 1.61 1.01 -0.82 -5.03 120.40 118.29 2f76 s VAL 24 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2f76 s VAL 24 Cb 0.00 -2.47 0.10 0.00 0.00 0.00 0.00 36.38 34.02 2f76 s VAL 24 CO 0.00 0.53 0.10 -0.54 0.00 0.00 0.00 175.10 175.18 2f76 s LYS 25 N 0.12 1.15 0.16 2.72 1.02 -1.26 -3.64 119.74 120.01 2f76 s LYS 25 Ca -0.04 -1.57 0.02 0.00 0.02 0.00 0.00 55.97 54.40 2f76 s LYS 25 Cb -0.14 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.52 2f76 s LYS 25 CO 0.04 -0.99 -0.03 0.14 -0.92 0.00 0.00 175.35 173.59 2f76 s VAL 26 N 1.11 0.78 0.44 3.17 -7.23 -1.26 -5.14 120.40 112.27 2f76 s VAL 26 Ca 0.11 -1.99 -0.23 0.00 -1.81 0.00 0.00 61.98 58.07 2f76 s VAL 26 Cb -0.19 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 34.66 2f76 s VAL 26 CO -0.14 -0.58 1.08 -0.54 -0.31 0.00 0.00 175.10 174.60 2f76 s LYS 27 N -3.87 3.94 0.14 4.82 -0.14 -1.26 -4.96 119.74 118.42 2f76 s LYS 27 Ca 0.21 1.54 -0.17 0.00 -1.36 0.00 0.00 55.97 56.19 2f76 s LYS 27 Cb 0.05 -2.38 -0.01 0.00 -1.68 0.00 0.00 37.83 33.81 2f76 s LYS 27 CO 0.02 -0.34 1.77 -0.92 -0.76 0.00 0.00 175.35 175.12 2f76 h TYR 28 N 2.11 0.46 -0.13 3.18 3.20 -2.00 -2.01 116.97 121.78 2f76 h TYR 28 Ca -0.49 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.42 2f76 h TYR 28 Cb 1.23 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2f76 h TYR 28 CO 0.56 0.33 0.09 0.00 -1.64 0.00 0.00 178.16 177.50 2f76 h ALA 29 N 1.09 2.12 0.24 1.82 0.00 -1.98 -1.97 119.26 120.57 2f76 h ALA 29 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2f76 h ALA 29 Cb -0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2f76 h ALA 29 CO -0.02 -0.15 -0.13 0.22 0.00 0.00 0.00 179.25 179.17 2f76 h ASP 30 N 0.01 -0.31 -0.48 0.00 1.82 -1.74 0.25 116.42 115.97 2f76 h ASP 30 Ca 0.06 0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.62 2f76 h ASP 30 Cb 0.24 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 2f76 h ASP 30 CO -0.00 -0.21 -0.06 -0.07 -1.61 0.00 0.00 179.24 177.29 2f76 h LEU 31 N -0.34 0.92 -0.26 2.28 3.38 -1.44 0.11 115.31 119.97 2f76 h LEU 31 Ca -0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2f76 h LEU 31 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2f76 h LEU 31 CO 0.04 1.01 0.10 0.25 0.09 0.00 0.00 178.44 179.93 2f76 h LEU 32 N 0.85 0.36 -0.43 1.67 5.85 -1.13 0.20 115.31 122.68 2f76 h LEU 32 Ca 0.14 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 2f76 h LEU 32 Cb 0.59 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2f76 h LEU 32 CO 0.04 0.44 -0.27 0.11 -0.34 0.00 0.00 178.44 178.41 2f76 h LYS 33 N 0.26 0.94 -0.60 1.25 1.57 -0.41 -2.71 116.57 116.86 2f76 h LYS 33 Ca 0.08 -0.44 -0.06 0.00 -1.87 0.00 0.00 60.65 58.37 2f76 h LYS 33 Cb 0.20 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2f76 h LYS 33 CO -0.01 1.10 0.14 0.35 -0.57 0.00 0.00 179.45 180.46 2f76 h PHE 34 N 0.77 0.98 -0.52 -1.35 3.57 -0.61 -0.91 116.94 118.88 2f76 h PHE 34 Ca 0.09 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2f76 h PHE 34 Cb 0.86 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 2f76 h PHE 34 CO 0.06 0.82 0.27 0.35 -2.23 0.00 0.00 178.31 177.57 2f76 h PHE 35 N 0.90 0.72 0.00 0.41 3.04 -0.46 -2.21 116.94 119.35 2f76 h PHE 35 Ca 0.19 -0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.02 2f76 h PHE 35 Cb 0.34 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 2f76 h PHE 35 CO 0.02 0.55 -0.46 -0.44 -2.02 0.00 0.00 178.31 175.96 2f76 h ASP 36 N 0.69 0.00 0.09 0.41 3.32 -1.22 -2.62 116.42 117.08 2f76 h ASP 36 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2f76 h ASP 36 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2f76 h ASP 36 CO -0.03 0.46 -0.09 0.15 -1.72 0.00 0.00 179.24 178.01 2f76 h PHE 37 N 0.00 -0.24 0.00 4.55 3.04 -0.54 -0.05 116.94 123.70 2f76 h PHE 37 Ca -0.00 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 2f76 h PHE 37 Cb 0.87 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 2f76 h PHE 37 CO 0.00 -0.15 -0.43 -0.24 -2.02 0.00 0.00 178.31 175.47 2f76 h VAL 38 N -0.20 1.25 -0.22 1.41 3.04 -1.48 -1.99 116.25 118.06 2f76 h VAL 38 Ca 0.01 -1.50 -0.03 0.00 -1.01 0.00 0.00 66.70 64.17 2f76 h VAL 38 Cb 0.20 1.82 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 2f76 h VAL 38 CO -0.03 0.42 0.03 0.50 -1.01 0.00 0.00 177.57 177.47 2f76 h LYS 39 N 0.00 0.37 -0.06 4.17 3.64 -1.01 2.51 116.57 126.19 2f76 h LYS 39 Ca -0.00 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 2f76 h LYS 39 Cb 0.79 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2f76 h LYS 39 CO 0.06 0.52 -0.55 -0.44 -2.27 0.00 0.00 179.45 176.77 2f76 h ASP 40 N 0.16 0.19 0.02 4.20 3.32 -0.95 -3.03 116.42 120.34 2f76 h ASP 40 Ca 0.07 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2f76 h ASP 40 Cb 0.34 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2f76 h ASP 40 CO 0.01 0.71 -0.41 0.35 -1.72 0.00 0.00 179.24 178.17 2f76 n THR 41 N -3.90 0.00 -3.17 0.35 -2.24 -0.76 -4.85 114.28 99.71 2f76 n THR 41 Ca -0.02 -0.25 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 2f76 n THR 41 Cb 0.58 1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 69.92 2f76 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 h PRO 43 N 7.99 0.00 0.00 0.00 0.13 -1.72 -3.25 132.00 135.15 2f76 h PRO 43 Ca -0.21 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.87 2f76 h PRO 43 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 2f76 h PRO 43 CO 0.18 0.00 0.02 -2.67 -0.23 0.00 0.00 178.00 175.30 2f76 n TRP 44 N -2.80 -3.53 0.00 1.56 2.14 -1.26 -4.96 117.44 108.59 2f76 n TRP 44 Ca 0.03 -0.18 0.00 0.00 2.07 0.00 0.00 57.50 59.42 2f76 n TRP 44 Cb 0.39 -0.09 0.00 0.00 -0.81 0.00 0.00 31.31 30.80 2f76 n TRP 44 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 2f76 n PHE 45 N -1.75 0.00 -1.93 -2.67 7.35 -1.26 -4.92 117.46 112.28 2f76 n PHE 45 Ca 0.02 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.32 2f76 n PHE 45 Cb 0.07 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.91 2f76 n PHE 45 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2f76 s PRO 46 N 0.00 3.73 0.00 -7.13 0.04 -1.26 -4.69 135.00 125.69 2f76 s PRO 46 Ca 0.00 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2f76 s PRO 46 Cb 0.00 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2f76 s PRO 46 CO 0.00 -0.72 0.00 1.04 0.04 0.00 0.00 177.00 177.36 2f76 n GLN 47 N -0.19 0.00 -3.64 4.56 6.02 -1.26 -5.13 117.38 117.74 2f76 n GLN 47 Ca 0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.00 2f76 n GLN 47 Cb 0.43 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.63 2f76 n GLN 47 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2f76 s GLU 48 N 1.68 0.56 0.00 -1.09 2.12 -1.26 -5.00 118.70 115.70 2f76 s GLU 48 Ca 0.00 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.32 2f76 s GLU 48 Cb 0.00 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.54 2f76 s GLU 48 CO 0.00 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 2f76 n GLY 49 N 4.12 0.82 3.48 -1.50 0.00 -1.26 -5.01 105.19 105.84 2f76 n GLY 49 Ca -0.19 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 2f76 n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2f76 n THR 50 N 0.00 0.00 -1.01 2.61 -2.24 -1.26 -4.62 114.28 107.75 2f76 n THR 50 Ca 0.00 -0.28 -0.48 0.00 -2.27 0.00 0.00 64.05 61.02 2f76 n THR 50 Cb 0.00 -0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 67.25 2f76 n THR 50 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2f76 n ILE 51 N -4.55 0.00 -0.02 2.28 5.41 -1.26 -4.77 119.36 116.45 2f76 n ILE 51 Ca 0.05 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.75 2f76 n ILE 51 Cb 0.55 -0.40 0.15 0.00 -0.71 0.00 0.00 39.64 39.23 2f76 n ILE 51 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2f76 h ASP 52 N 7.31 0.60 0.19 4.38 3.58 -1.95 -2.40 116.42 128.12 2f76 h ASP 52 Ca -0.08 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.15 2f76 h ASP 52 Cb 1.15 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.03 2f76 h ASP 52 CO 0.88 0.84 -0.02 0.40 -2.88 0.00 0.00 179.24 178.46 2f76 h ILE 53 N 0.52 0.23 -0.80 2.25 2.04 -1.87 -2.87 117.51 117.01 2f76 h ILE 53 Ca 0.07 -0.16 0.18 0.00 1.00 0.00 0.00 64.86 65.95 2f76 h ILE 53 Cb 0.71 1.12 -0.12 0.00 -0.74 0.00 0.00 36.82 37.80 2f76 h ILE 53 CO 0.05 0.02 0.23 0.50 0.00 0.00 0.00 178.15 178.96 2f76 h LYS 54 N 0.00 0.29 -0.82 2.37 3.64 -1.78 0.27 116.57 120.54 2f76 h LYS 54 Ca -0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2f76 h LYS 54 Cb 0.12 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2f76 h LYS 54 CO 0.00 0.19 0.50 -0.09 -2.27 0.00 0.00 179.45 177.78 2f76 h ARG 55 N 0.30 1.10 0.16 1.90 2.43 -1.71 0.16 114.38 118.72 2f76 h ARG 55 Ca 0.47 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 2f76 h ARG 55 Cb 0.83 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2f76 h ARG 55 CO -0.53 0.77 -0.08 2.35 -1.51 0.00 0.00 179.97 180.97 2f76 h TRP 56 N 1.12 -0.20 -0.51 2.20 7.01 -0.66 -2.50 115.95 122.40 2f76 h TRP 56 Ca 0.29 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.22 2f76 h TRP 56 Cb -0.06 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 2f76 h TRP 56 CO -0.01 -0.05 0.04 0.00 -2.79 0.00 0.00 178.44 175.63 2f76 h ARG 57 N -0.30 0.83 -0.73 2.65 2.47 -1.10 -2.73 114.38 115.48 2f76 h ARG 57 Ca -0.02 -0.21 0.10 0.00 -1.26 0.00 0.00 59.98 58.59 2f76 h ARG 57 Cb 0.23 -0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.38 2f76 h ARG 57 CO 0.04 0.81 0.37 0.00 0.56 0.00 0.00 179.97 181.74 2f76 h ARG 58 N 0.78 0.60 -0.36 0.04 3.08 -0.48 0.32 114.38 118.36 2f76 h ARG 58 Ca 0.16 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 2f76 h ARG 58 Cb 0.41 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2f76 h ARG 58 CO 0.01 0.40 0.02 0.28 -1.07 0.00 0.00 179.97 179.61 2f76 h VAL 59 N 0.62 1.25 0.07 2.04 2.07 -1.16 -2.42 116.25 118.72 2f76 h VAL 59 Ca 0.36 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 2f76 h VAL 59 Cb 0.39 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2f76 h VAL 59 CO -0.28 0.31 -0.04 1.23 0.02 0.00 0.00 177.57 178.82 2f76 h GLY 60 N 0.45 -0.11 0.35 2.17 0.00 -1.00 0.21 103.07 105.15 2f76 h GLY 60 Ca 0.11 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.62 2f76 h GLY 60 CO 0.01 -0.04 0.61 -0.55 0.00 0.00 0.00 176.54 176.58 2f76 h ASP 61 N -0.29 0.86 0.17 0.19 3.32 -0.42 0.76 116.42 121.03 2f76 h ASP 61 Ca -0.01 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2f76 h ASP 61 Cb 0.25 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2f76 h ASP 61 CO 0.02 0.41 -0.08 0.00 -1.72 0.00 0.00 179.24 177.86 2f76 h PHE 63 N -0.98 0.56 -0.78 0.00 -1.00 -0.36 -2.21 116.94 112.17 2f76 h PHE 63 Ca -0.02 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 2f76 h PHE 63 Cb 0.43 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.77 2f76 h PHE 63 CO 0.06 0.32 0.47 1.96 -1.61 0.00 0.00 178.31 179.52 2f76 h GLN 64 N 0.60 1.06 -0.37 1.51 4.20 0.42 0.22 115.11 122.75 2f76 h GLN 64 Ca 0.20 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 58.88 2f76 h GLN 64 Cb 0.01 -0.22 -0.06 0.00 0.30 0.00 0.00 27.48 27.51 2f76 h GLN 64 CO -0.09 0.74 -0.01 0.22 -0.67 0.00 0.00 178.83 179.03 2f76 h ASP 65 N 1.08 -0.17 0.11 1.46 1.82 -0.96 0.63 116.42 120.40 2f76 h ASP 65 Ca 0.28 0.09 -0.25 0.00 -0.39 0.00 0.00 57.03 56.76 2f76 h ASP 65 Cb -0.04 0.16 0.03 0.00 0.68 0.00 0.00 39.33 40.15 2f76 h ASP 65 CO -0.05 -0.05 -1.05 1.88 -1.61 0.00 0.00 179.24 178.36 2f76 h TYR 66 N 0.09 0.83 -0.26 0.28 0.05 -1.36 -2.81 116.97 113.80 2f76 h TYR 66 Ca 0.18 -0.54 0.00 0.00 0.05 0.00 0.00 58.73 58.42 2f76 h TYR 66 Cb 0.25 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2f76 h TYR 66 CO -0.26 1.39 0.17 1.88 -1.05 0.00 0.00 178.16 180.28 2f76 h TYR 67 N 0.05 0.33 -0.69 4.88 -1.99 -0.30 0.10 116.97 119.35 2f76 h TYR 67 Ca -0.16 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.53 2f76 h TYR 67 Cb 1.76 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 40.35 2f76 h TYR 67 CO 0.14 0.22 0.25 -0.91 -0.00 0.00 0.00 178.16 177.86 2f76 h ASN 68 N 0.34 0.96 -0.28 3.88 2.35 0.30 0.12 115.58 123.26 2f76 h ASN 68 Ca 0.09 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2f76 h ASN 68 Cb -0.02 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 2f76 h ASN 68 CO -0.02 0.89 0.10 0.74 -1.65 0.00 0.00 177.43 177.49 2f76 h THR 69 N 0.98 1.18 -0.46 2.81 2.02 -1.20 -2.99 112.91 115.25 2f76 h THR 69 Ca 0.23 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2f76 h THR 69 Cb 0.24 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2f76 h THR 69 CO -0.01 0.19 0.16 -0.26 0.37 0.00 0.00 175.52 175.96 2f76 h PHE 70 N 0.29 0.74 0.00 3.16 -1.00 -0.59 -3.48 116.94 116.06 2f76 h PHE 70 Ca 0.09 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2f76 h PHE 70 Cb 0.20 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.54 2f76 h PHE 70 CO -0.00 0.65 0.00 0.41 -1.61 0.00 0.00 178.31 177.75 2f76 n GLY 71 N -0.70 1.59 3.51 -1.45 0.00 0.30 -5.09 105.19 103.34 2f76 n GLY 71 Ca 0.01 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2f76 n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2f76 n PRO 72 N 0.00 0.10 -0.09 1.61 -0.02 -0.52 -4.71 135.00 131.37 2f76 n PRO 72 Ca 0.00 -0.05 0.11 0.00 -2.02 0.00 0.00 63.50 61.54 2f76 n PRO 72 Cb 0.00 -1.57 0.34 0.00 -0.02 0.00 0.00 33.50 32.26 2f76 n PRO 72 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2f76 n GLU 73 N 7.39 1.87 -0.30 -0.52 0.28 -1.26 -3.25 120.64 124.84 2f76 n GLU 73 Ca 0.64 -1.31 0.18 0.00 -0.16 0.00 0.00 57.16 56.51 2f76 n GLU 73 Cb 0.13 -1.42 0.34 0.00 1.43 0.00 0.00 31.44 31.93 2f76 n GLU 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2f76 n LYS 74 N 0.54 -0.07 -3.86 3.44 4.81 -1.26 -2.37 118.16 119.40 2f76 n LYS 74 Ca 0.17 1.30 -0.32 0.00 -0.87 0.00 0.00 58.31 58.59 2f76 n LYS 74 Cb 0.38 -2.15 -0.12 0.00 0.02 0.00 0.00 35.03 33.16 2f76 n LYS 74 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2f76 s VAL 75 N -5.71 3.08 0.48 3.15 -7.23 -1.26 -4.80 120.40 108.11 2f76 s VAL 75 Ca -0.10 -3.47 -0.22 0.00 -1.81 0.00 0.00 61.98 56.38 2f76 s VAL 75 Cb 0.27 -3.05 -0.09 0.00 0.56 0.00 0.00 36.38 34.08 2f76 s VAL 75 CO 0.70 -0.88 1.00 -2.65 -0.31 0.00 0.00 175.10 172.95 2f76 n PRO 76 N 2.91 1.24 0.26 4.82 -0.02 -1.00 -4.79 135.00 138.42 2f76 n PRO 76 Ca 0.10 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 2f76 n PRO 76 Cb 0.34 -2.10 0.69 0.00 -0.02 0.00 0.00 33.50 32.41 2f76 n PRO 76 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2f76 h VAL 77 N 1.22 0.48 0.00 -1.45 -1.51 -1.91 -2.91 116.25 110.17 2f76 h VAL 77 Ca -0.46 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2f76 h VAL 77 Cb 1.34 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.94 2f76 h VAL 77 CO 0.55 0.13 0.74 0.71 -1.23 0.00 0.00 177.57 178.46 2f76 h THR 78 N 0.00 0.00 -0.43 7.19 1.35 -2.01 0.56 112.91 119.57 2f76 h THR 78 Ca -0.00 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.96 2f76 h THR 78 Cb 0.43 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 66.97 2f76 h THR 78 CO 0.02 0.00 0.30 0.00 -0.25 0.00 0.00 175.52 175.59 2f76 h ALA 79 N 0.36 2.24 -0.50 6.62 0.00 -1.88 -1.64 119.26 124.46 2f76 h ALA 79 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 2f76 h ALA 79 Cb 1.47 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 2f76 h ALA 79 CO 0.00 -0.35 0.09 0.35 0.00 0.00 0.00 179.25 179.33 2f76 h PHE 80 N 0.12 0.13 -0.41 0.00 3.04 -0.15 0.15 116.94 119.82 2f76 h PHE 80 Ca 0.20 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.13 2f76 h PHE 80 Cb 0.64 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.15 2f76 h PHE 80 CO -0.00 -0.02 0.06 1.03 -2.02 0.00 0.00 178.31 177.36 2f76 h SER 81 N 0.22 0.66 -0.83 0.41 0.87 -1.52 -2.34 113.55 111.02 2f76 h SER 81 Ca 0.25 -0.26 0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2f76 h SER 81 Cb 0.35 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 2f76 h SER 81 CO -0.34 0.76 0.54 0.22 -0.53 0.00 0.00 176.83 177.48 2f76 h TYR 82 N 0.54 0.88 0.00 2.24 5.03 -1.05 0.12 116.97 124.73 2f76 h TYR 82 Ca 0.13 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.37 2f76 h TYR 82 Cb 0.38 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 2f76 h TYR 82 CO 0.03 0.44 -0.43 2.35 -1.32 0.00 0.00 178.16 179.22 2f76 h TRP 83 N 0.84 0.00 -0.42 -3.82 7.01 -0.42 -3.08 115.95 116.06 2f76 h TRP 83 Ca 0.37 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.38 2f76 h TRP 83 Cb 0.34 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 2f76 h TRP 83 CO -0.00 0.43 0.27 -0.97 -2.79 0.00 0.00 178.44 175.38 2f76 h ASN 84 N 0.00 0.45 -0.86 2.65 -1.24 -0.22 0.54 115.58 116.88 2f76 h ASN 84 Ca -0.00 -0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.03 2f76 h ASN 84 Cb 0.80 -0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.70 2f76 h ASN 84 CO 0.06 0.32 0.56 -0.07 -1.29 0.00 0.00 177.43 177.01 2f76 h LEU 85 N 0.54 0.95 -0.39 0.34 -0.00 -1.43 -2.12 115.31 113.20 2f76 h LEU 85 Ca 0.16 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.99 2f76 h LEU 85 Cb -0.03 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.39 2f76 h LEU 85 CO -0.06 0.66 0.10 0.40 -0.00 0.00 0.00 178.44 179.55 2f76 h ILE 86 N 1.11 1.23 -0.60 1.22 2.04 -1.41 -2.81 117.51 118.29 2f76 h ILE 86 Ca 0.34 -0.77 0.12 0.00 1.00 0.00 0.00 64.86 65.55 2f76 h ILE 86 Cb -0.04 0.99 -0.12 0.00 -0.74 0.00 0.00 36.82 36.92 2f76 h ILE 86 CO -0.10 0.26 -0.21 0.11 0.00 0.00 0.00 178.15 178.21 2f76 h LYS 87 N 0.48 -0.06 -0.12 2.37 1.57 -0.23 0.58 116.57 121.15 2f76 h LYS 87 Ca 0.12 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2f76 h LYS 87 Cb 0.30 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2f76 h LYS 87 CO 0.00 -0.04 0.04 0.93 -0.57 0.00 0.00 179.45 179.81 2f76 h GLU 88 N -0.06 0.16 0.05 3.15 5.08 -1.37 0.70 114.58 122.29 2f76 h GLU 88 Ca 0.28 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2f76 h GLU 88 Cb 0.49 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2f76 h GLU 88 CO -0.65 0.15 -0.03 1.25 -1.00 0.00 0.00 179.01 178.74 2f76 h LEU 89 N 0.16 -0.06 -0.35 1.33 5.85 0.30 -3.11 115.31 119.44 2f76 h LEU 89 Ca 0.04 -0.52 -0.14 0.00 0.84 0.00 0.00 57.88 58.09 2f76 h LEU 89 Cb 0.06 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2f76 h LEU 89 CO -0.00 0.52 -0.69 0.40 -0.34 0.00 0.00 178.44 178.33 2f76 h ILE 90 N -0.68 1.32 -0.78 4.05 2.04 -0.73 -3.24 117.51 119.50 2f76 h ILE 90 Ca -0.01 -2.51 0.02 0.00 1.00 0.00 0.00 64.86 63.36 2f76 h ILE 90 Cb 0.58 2.42 -0.04 0.00 -0.74 0.00 0.00 36.82 39.04 2f76 h ILE 90 CO 0.01 0.68 0.50 0.44 0.00 0.00 0.00 178.15 179.78 2f76 h ASP 91 N 0.00 0.85 -0.69 1.72 3.32 0.34 -0.52 116.42 121.43 2f76 h ASP 91 Ca -0.01 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2f76 h ASP 91 Cb 1.37 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 2f76 h ASP 91 CO 0.09 0.60 0.22 0.11 -1.72 0.00 0.00 179.24 178.53 2f76 h LYS 92 N 1.00 1.09 0.00 3.56 1.57 -1.56 -1.54 116.57 120.69 2f76 h LYS 92 Ca 0.30 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2f76 h LYS 92 Cb -0.04 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2f76 h LYS 92 CO -0.09 0.93 0.00 1.63 -0.57 0.00 0.00 179.45 181.35 2f76 n LYS 93 N -4.26 0.05 0.32 3.15 4.76 -0.78 -3.24 118.16 118.17 2f76 n LYS 93 Ca 0.06 0.17 0.14 0.00 -2.87 0.00 0.00 58.31 55.81 2f76 n LYS 93 Cb 0.23 -1.57 0.77 0.00 -1.84 0.00 0.00 35.03 32.61 2f76 n LYS 93 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2f76 h GLU 94 N 0.00 0.00 -4.43 1.97 4.57 -0.04 -3.40 114.58 113.25 2f76 h GLU 94 Ca 0.00 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.92 2f76 h GLU 94 Cb 0.41 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 28.78 2f76 h GLU 94 CO 0.00 0.00 -0.73 0.54 -1.18 0.00 0.00 179.01 177.64 2f76 s VAL 95 N -4.03 0.45 0.00 0.32 0.11 -1.20 -4.98 120.40 111.08 2f76 s VAL 95 Ca -0.03 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 2f76 s VAL 95 Cb 0.08 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 2f76 s VAL 95 CO 0.26 -0.34 0.00 0.59 -3.33 0.00 0.00 175.10 172.28 2f76 n ASN 96 N 1.68 0.00 -4.80 3.54 3.02 -1.26 -5.01 115.26 112.42 2f76 n ASN 96 Ca -0.22 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.00 2f76 n ASN 96 Cb 0.55 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.70 2f76 n ASN 96 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2f76 s PRO 97 N 0.00 3.68 -0.19 3.52 0.04 -1.26 -5.05 135.00 135.74 2f76 s PRO 97 Ca 0.00 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.26 2f76 s PRO 97 Cb 0.00 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2f76 s PRO 97 CO 0.00 -0.52 0.01 -1.14 0.04 0.00 0.00 177.00 175.39 2f76 s GLN 98 N -3.56 3.68 -0.06 4.56 2.00 -1.26 -5.09 119.66 119.93 2f76 s GLN 98 Ca 0.65 -0.49 0.02 0.00 -2.00 0.00 0.00 55.36 53.54 2f76 s GLN 98 Cb -0.15 -3.09 0.01 0.00 0.80 0.00 0.00 33.01 30.58 2f76 s GLN 98 CO 0.26 0.08 -0.12 0.08 -0.50 0.00 0.00 175.29 175.09 2f76 s VAL 99 N 0.83 1.08 -2.15 1.34 1.01 -1.26 -5.34 120.40 115.92 2f76 s VAL 99 Ca 0.01 -0.46 0.31 0.00 0.00 0.00 0.00 61.98 61.84 2f76 s VAL 99 Cb -0.14 -0.98 0.80 0.00 0.00 0.00 0.00 36.38 36.06 2f76 s VAL 99 CO 0.02 0.34 2.09 0.23 0.00 0.00 0.00 175.10 177.78