#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f76 h GLY 2 N 0.00 1.00 -7.11 3.03 0.00 -2.10 -3.40 103.07 94.49 2f76 h GLY 2 Ca 0.00 -0.59 -0.65 0.00 0.00 0.00 0.00 47.33 46.09 2f76 h GLY 2 CO 0.00 0.56 -0.65 1.20 0.00 0.00 0.00 176.54 177.64 2f76 s GLN 3 N -5.41 3.59 0.14 4.80 -0.21 -1.26 -4.99 119.66 116.32 2f76 s GLN 3 Ca -0.13 -0.51 -0.14 0.00 0.02 0.00 0.00 55.36 54.60 2f76 s GLN 3 Cb 0.13 -3.22 0.02 0.00 1.00 0.00 0.00 33.01 30.93 2f76 s GLN 3 CO 0.81 -0.16 1.64 0.93 -2.12 0.00 0.00 175.29 176.39 2f76 h GLU 4 N 8.11 0.77 -5.33 2.91 5.08 -2.11 -3.41 114.58 120.60 2f76 h GLU 4 Ca -0.39 -0.19 -0.64 0.00 -1.00 0.00 0.00 59.36 57.14 2f76 h GLU 4 Cb 1.17 -0.10 -0.21 0.00 0.50 0.00 0.00 28.75 30.12 2f76 h GLU 4 CO 0.59 0.77 -0.66 -1.17 -1.00 0.00 0.00 179.01 177.54 2f76 s LEU 5 N -9.58 3.29 0.08 1.33 2.96 -1.26 -5.05 118.68 110.46 2f76 s LEU 5 Ca -0.13 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 2f76 s LEU 5 Cb 0.11 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 2f76 s LEU 5 CO 0.79 0.18 0.14 -0.94 -1.32 0.00 0.00 176.35 175.20 2f76 s SER 6 N 0.31 0.20 0.42 3.68 1.04 -1.26 -5.04 113.70 113.05 2f76 s SER 6 Ca -0.03 -0.73 0.13 0.00 0.48 0.00 0.00 55.95 55.80 2f76 s SER 6 Cb -0.14 0.31 0.90 0.00 0.10 0.00 0.00 66.02 67.19 2f76 s SER 6 CO 0.03 -0.70 1.94 1.56 0.98 0.00 0.00 173.24 177.05 2f76 h GLN 7 N 2.84 0.04 -0.55 4.02 4.20 -2.00 -2.41 115.11 121.26 2f76 h GLN 7 Ca -0.34 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.26 2f76 h GLN 7 Cb 1.19 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 2f76 h GLN 7 CO 0.58 0.26 -0.04 0.45 -0.67 0.00 0.00 178.83 179.41 2f76 h HIS 8 N 0.04 1.08 -0.51 2.96 3.86 -2.00 -2.15 115.15 118.43 2f76 h HIS 8 Ca 0.01 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 58.99 2f76 h HIS 8 Cb 0.41 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 2f76 h HIS 8 CO 0.00 0.98 0.21 0.93 0.86 0.00 0.00 177.93 180.91 2f76 h GLU 9 N 0.89 0.76 -0.60 2.45 5.08 -1.85 -2.60 114.58 118.72 2f76 h GLU 9 Ca 0.15 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2f76 h GLU 9 Cb 0.58 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2f76 h GLU 9 CO 0.04 0.67 0.21 0.00 -1.00 0.00 0.00 179.01 178.92 2f76 h ARG 10 N 0.68 0.88 -0.50 2.33 3.08 -1.34 -2.35 114.38 117.16 2f76 h ARG 10 Ca 0.17 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2f76 h ARG 10 Cb 0.19 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2f76 h ARG 10 CO -0.01 0.75 0.32 -0.92 -1.07 0.00 0.00 179.97 179.04 2f76 h TYR 11 N 0.86 0.61 -0.22 3.04 3.20 -1.03 -2.51 116.97 120.93 2f76 h TYR 11 Ca 0.20 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 2f76 h TYR 11 Cb 0.22 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2f76 h TYR 11 CO 0.01 0.38 0.12 0.28 -1.64 0.00 0.00 178.16 177.31 2f76 h VAL 12 N 0.66 1.11 -0.99 1.81 2.07 -1.14 -2.40 116.25 117.37 2f76 h VAL 12 Ca 0.19 -0.31 0.22 0.00 0.82 0.00 0.00 66.70 67.63 2f76 h VAL 12 Cb -0.05 0.92 -0.12 0.00 -1.52 0.00 0.00 31.29 30.52 2f76 h VAL 12 CO -0.06 0.11 0.58 -0.33 0.02 0.00 0.00 177.57 177.89 2f76 h GLU 13 N 0.24 0.61 -0.47 1.57 4.39 -1.10 0.34 114.58 120.16 2f76 h GLU 13 Ca 0.08 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2f76 h GLU 13 Cb 0.07 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2f76 h GLU 13 CO -0.01 0.40 0.12 1.96 -1.16 0.00 0.00 179.01 180.32 2f76 h GLN 14 N 0.63 0.75 -0.71 2.33 4.20 -1.02 -2.69 115.11 118.60 2f76 h GLN 14 Ca 0.61 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 59.10 2f76 h GLN 14 Cb 1.09 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 2f76 h GLN 14 CO -0.45 0.73 0.24 -0.07 -0.67 0.00 0.00 178.83 178.62 2f76 h LEU 15 N 0.64 1.02 -0.55 1.46 3.38 -0.20 -1.16 115.31 119.89 2f76 h LEU 15 Ca 0.15 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2f76 h LEU 15 Cb 0.31 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 2f76 h LEU 15 CO -0.00 0.94 0.12 0.50 0.09 0.00 0.00 178.44 180.09 2f76 h LYS 16 N 1.03 0.25 -0.03 1.13 3.64 -0.20 0.29 116.57 122.69 2f76 h LYS 16 Ca 0.23 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2f76 h LYS 16 Cb 0.27 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2f76 h LYS 16 CO -0.01 0.16 -0.10 1.96 -2.27 0.00 0.00 179.45 179.19 2f76 h GLN 17 N 0.25 0.11 0.04 1.90 4.20 -1.25 -1.92 115.11 118.44 2f76 h GLN 17 Ca 0.28 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.91 2f76 h GLN 17 Cb 0.39 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2f76 h GLN 17 CO -0.36 0.73 -0.08 0.00 -0.67 0.00 0.00 178.83 178.45 2f76 h ALA 18 N 0.38 -0.12 -0.07 3.87 0.00 -0.91 -2.16 119.26 120.24 2f76 h ALA 18 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2f76 h ALA 18 Cb 0.75 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2f76 h ALA 18 CO 0.02 -0.59 -0.25 -0.07 0.00 0.00 0.00 179.25 178.36 2f76 h LEU 19 N -0.16 0.12 -1.12 0.00 4.07 -0.54 -2.65 115.31 115.03 2f76 h LEU 19 Ca 0.02 -0.03 0.02 0.00 0.08 0.00 0.00 57.88 57.97 2f76 h LEU 19 Cb 0.18 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 2f76 h LEU 19 CO -0.06 0.38 0.60 0.11 -1.08 0.00 0.00 178.44 178.39 2f76 h LYS 20 N 0.12 1.14 0.00 1.13 1.57 -0.72 0.10 116.57 119.92 2f76 h LYS 20 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2f76 h LYS 20 Cb 0.52 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2f76 h LYS 20 CO 0.04 0.76 0.00 0.25 -0.57 0.00 0.00 179.45 179.92 2f76 n THR 21 N -4.42 0.91 1.13 -0.16 -2.24 -0.97 -1.62 114.28 106.91 2f76 n THR 21 Ca 0.11 0.34 0.12 0.00 -2.27 0.00 0.00 64.05 62.36 2f76 n THR 21 Cb 0.07 -1.28 0.26 0.00 -2.10 0.00 0.00 70.33 67.28 2f76 n THR 21 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2f76 n ARG 22 N -2.17 0.59 0.00 -0.78 5.12 0.33 -4.92 116.66 114.83 2f76 n ARG 22 Ca 0.01 -0.38 0.00 0.00 -1.93 0.00 0.00 57.85 55.55 2f76 n ARG 22 Cb 0.18 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 2f76 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f76 n GLY 23 N 1.41 1.51 3.70 -0.13 0.00 -0.64 -4.96 105.19 106.07 2f76 n GLY 23 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 5.19 -0.45 1.61 1.01 -1.00 -5.01 120.40 119.74 2f76 s VAL 24 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2f76 s VAL 24 Cb 0.00 -3.35 0.12 0.00 0.00 0.00 0.00 36.38 33.15 2f76 s VAL 24 CO 0.00 0.45 0.20 -0.54 0.00 0.00 0.00 175.10 175.21 2f76 s LYS 25 N 0.31 1.64 0.09 2.72 1.02 -1.26 -4.04 119.74 120.22 2f76 s LYS 25 Ca 0.06 -2.22 0.02 0.00 0.02 0.00 0.00 55.97 53.85 2f76 s LYS 25 Cb -0.11 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 2f76 s LYS 25 CO -0.01 -1.07 -0.07 0.08 -0.92 0.00 0.00 175.35 173.36 2f76 s VAL 26 N 0.24 0.68 0.40 3.17 1.01 -1.26 -5.07 120.40 119.57 2f76 s VAL 26 Ca 0.15 -1.82 -0.14 0.00 0.00 0.00 0.00 61.98 60.17 2f76 s VAL 26 Cb -0.24 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 2f76 s VAL 26 CO -0.03 -0.81 0.82 -0.54 0.00 0.00 0.00 175.10 174.53 2f76 s LYS 27 N -3.53 3.93 0.13 2.72 1.02 -1.26 -4.99 119.74 117.77 2f76 s LYS 27 Ca 0.09 0.69 -0.18 0.00 0.02 0.00 0.00 55.97 56.59 2f76 s LYS 27 Cb 0.03 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 2f76 s LYS 27 CO -0.04 -0.01 1.77 -0.92 -0.92 0.00 0.00 175.35 175.22 2f76 h TYR 28 N 1.59 0.24 -0.62 3.18 3.20 -2.00 -2.27 116.97 120.29 2f76 h TYR 28 Ca -0.48 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.38 2f76 h TYR 28 Cb 1.18 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.35 2f76 h TYR 28 CO 0.62 0.13 0.28 0.00 -1.64 0.00 0.00 178.16 177.55 2f76 h ALA 29 N 1.13 1.33 -0.33 1.82 0.00 -1.98 -2.00 119.26 119.23 2f76 h ALA 29 Ca 0.11 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2f76 h ALA 29 Cb 0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2f76 h ALA 29 CO -0.07 0.51 0.08 -0.44 0.00 0.00 0.00 179.25 179.33 2f76 h ASP 30 N 0.88 0.05 -0.51 0.00 3.32 -1.79 0.24 116.42 118.61 2f76 h ASP 30 Ca 0.21 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 2f76 h ASP 30 Cb 0.12 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2f76 h ASP 30 CO -0.03 0.06 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.43 2f76 h LEU 31 N 0.20 0.95 -0.60 1.55 3.38 -1.26 -2.05 115.31 117.50 2f76 h LEU 31 Ca 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2f76 h LEU 31 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2f76 h LEU 31 CO -0.19 1.04 0.32 0.25 0.09 0.00 0.00 178.44 179.95 2f76 h LEU 32 N 0.88 0.75 -0.68 1.67 5.85 -0.60 -1.08 115.31 122.10 2f76 h LEU 32 Ca 0.15 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2f76 h LEU 32 Cb 0.59 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2f76 h LEU 32 CO 0.04 0.64 0.29 0.11 -0.34 0.00 0.00 178.44 179.18 2f76 h LYS 33 N 0.81 1.00 -0.42 1.25 1.57 -0.36 -2.05 116.57 118.37 2f76 h LYS 33 Ca 0.21 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2f76 h LYS 33 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2f76 h LYS 33 CO -0.03 0.82 0.25 0.35 -0.57 0.00 0.00 179.45 180.27 2f76 h PHE 34 N 0.96 0.56 -1.00 -1.35 3.04 -0.92 0.22 116.94 118.45 2f76 h PHE 34 Ca 0.23 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.21 2f76 h PHE 34 Cb 0.18 -0.18 -0.06 0.00 2.56 0.00 0.00 35.95 38.45 2f76 h PHE 34 CO 0.01 0.40 0.65 0.74 -2.02 0.00 0.00 178.31 178.10 2f76 h PHE 35 N 0.56 1.23 0.00 0.41 0.04 -0.94 -0.80 116.94 117.44 2f76 h PHE 35 Ca 0.15 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.84 2f76 h PHE 35 Cb 0.01 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 37.73 2f76 h PHE 35 CO -0.03 0.71 -0.55 0.22 -0.60 0.00 0.00 178.31 178.06 2f76 h ASP 36 N 1.27 0.00 0.19 2.17 1.82 -0.87 -2.77 116.42 118.22 2f76 h ASP 36 Ca 0.40 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.03 2f76 h ASP 36 Cb -0.01 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2f76 h ASP 36 CO -0.12 0.55 -0.09 0.15 -1.61 0.00 0.00 179.24 178.12 2f76 h PHE 37 N 0.00 -0.23 -0.59 0.28 3.04 0.91 0.10 116.94 120.45 2f76 h PHE 37 Ca -0.01 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.84 2f76 h PHE 37 Cb 1.12 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.68 2f76 h PHE 37 CO 0.00 -0.09 -0.03 -0.24 -2.02 0.00 0.00 178.31 175.93 2f76 h VAL 38 N -0.31 1.27 -0.15 1.41 3.04 -1.50 -2.58 116.25 117.43 2f76 h VAL 38 Ca -0.03 -1.18 -0.04 0.00 -1.01 0.00 0.00 66.70 64.44 2f76 h VAL 38 Cb 0.24 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 2f76 h VAL 38 CO 0.04 0.43 -0.11 0.50 -1.01 0.00 0.00 177.57 177.42 2f76 h LYS 39 N 0.95 0.23 -0.05 4.17 3.64 -1.32 3.74 116.57 127.93 2f76 h LYS 39 Ca 0.16 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2f76 h LYS 39 Cb 0.59 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2f76 h LYS 39 CO 0.04 0.34 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.04 2f76 h ASP 40 N 0.22 0.16 0.06 4.20 3.32 -0.46 -3.22 116.42 120.70 2f76 h ASP 40 Ca 0.05 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2f76 h ASP 40 Cb 0.33 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2f76 h ASP 40 CO 0.02 0.67 -1.15 0.35 -1.72 0.00 0.00 179.24 177.41 2f76 n THR 41 N -4.70 0.01 -3.43 0.35 -2.24 -1.00 -4.74 114.28 98.53 2f76 n THR 41 Ca -0.08 -0.10 -0.26 0.00 -2.27 0.00 0.00 64.05 61.34 2f76 n THR 41 Cb 0.33 0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 69.19 2f76 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 n PRO 43 N 4.02 0.57 -4.02 0.00 -0.04 -1.21 -3.07 135.00 131.25 2f76 n PRO 43 Ca 0.13 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.40 2f76 n PRO 43 Cb 0.39 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 2f76 n PRO 43 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2f76 s TRP 44 N -2.21 3.28 -0.41 0.54 -2.14 -1.26 -5.01 118.94 111.73 2f76 s TRP 44 Ca 0.29 -0.07 0.08 0.00 2.66 0.00 0.00 56.10 59.07 2f76 s TRP 44 Cb 0.15 -1.51 0.27 0.00 -3.10 0.00 0.00 33.47 29.28 2f76 s TRP 44 CO 0.29 0.46 0.66 0.34 -2.66 0.00 0.00 176.95 176.04 2f76 n PHE 45 N -1.31 -0.92 -1.64 1.66 7.35 -1.26 -4.93 117.46 116.41 2f76 n PHE 45 Ca -0.08 -3.22 -0.41 0.00 -0.76 0.00 0.00 57.45 52.98 2f76 n PHE 45 Cb 0.57 0.08 0.02 0.00 0.35 0.00 0.00 39.48 40.50 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2f76 n PRO 46 N 1.17 1.46 -4.74 -7.13 -0.02 -1.26 -5.02 135.00 119.45 2f76 n PRO 46 Ca 0.19 0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 61.95 2f76 n PRO 46 Cb 0.58 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.77 2f76 n PRO 46 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2f76 s GLN 47 N -2.15 1.34 0.23 -0.52 -0.21 -1.26 -4.94 119.66 112.16 2f76 s GLN 47 Ca 0.64 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 55.36 2f76 s GLN 47 Cb -0.53 -1.32 -0.04 0.00 1.00 0.00 0.00 33.01 32.12 2f76 s GLN 47 CO 0.56 0.36 0.16 -1.21 -2.12 0.00 0.00 175.29 173.04 2f76 s GLU 48 N -0.58 1.34 0.32 2.91 2.02 -1.26 -5.04 118.70 118.41 2f76 s GLU 48 Ca 0.06 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.33 2f76 s GLU 48 Cb -0.07 0.25 0.54 0.00 0.10 0.00 0.00 34.13 34.96 2f76 s GLU 48 CO -0.00 -0.45 1.97 0.78 0.02 0.00 0.00 175.26 177.58 2f76 h GLY 49 N 2.49 1.08 -0.97 -1.39 0.00 -2.03 -3.40 103.07 98.86 2f76 h GLY 49 Ca -0.34 -0.39 -0.49 0.00 0.00 0.00 0.00 47.33 46.12 2f76 h GLY 49 CO 0.49 0.36 0.40 -0.51 0.00 0.00 0.00 176.54 177.28 2f76 s THR 50 N -5.84 3.18 -0.52 4.70 -4.23 -1.26 -4.83 115.64 106.84 2f76 s THR 50 Ca -0.11 0.38 -0.34 0.00 -1.18 0.00 0.00 61.69 60.44 2f76 s THR 50 Cb 0.18 -3.33 -0.16 0.00 1.34 0.00 0.00 72.50 70.53 2f76 s THR 50 CO 0.78 -0.50 1.90 -0.38 -0.54 0.00 0.00 174.62 175.88 2f76 n ILE 51 N -3.14 0.00 -0.18 2.99 5.41 -1.26 -4.77 119.36 118.41 2f76 n ILE 51 Ca 0.07 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.71 2f76 n ILE 51 Cb 0.58 -0.42 0.01 0.00 -0.71 0.00 0.00 39.64 39.10 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 8.13 1.02 0.00 4.38 3.58 -1.88 -2.43 116.42 129.22 2f76 h ASP 52 Ca -0.07 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.02 2f76 h ASP 52 Cb 1.16 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2f76 h ASP 52 CO 0.97 1.15 0.12 0.40 -2.88 0.00 0.00 179.24 178.99 2f76 h ILE 53 N 0.89 0.00 -0.16 2.25 2.04 -1.92 -1.96 117.51 118.64 2f76 h ILE 53 Ca 0.13 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 2f76 h ILE 53 Cb 0.70 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2f76 h ILE 53 CO 0.05 0.00 -0.01 0.50 0.00 0.00 0.00 178.15 178.69 2f76 h LYS 54 N 0.00 0.04 -0.13 2.37 3.64 -1.79 -1.46 116.57 119.24 2f76 h LYS 54 Ca 0.00 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 2f76 h LYS 54 Cb 0.23 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2f76 h LYS 54 CO 0.00 0.03 -0.12 0.00 -2.27 0.00 0.00 179.45 177.09 2f76 h ARG 55 N 0.04 0.20 0.33 1.90 3.08 -1.52 0.19 114.38 118.59 2f76 h ARG 55 Ca 0.08 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2f76 h ARG 55 Cb 0.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2f76 h ARG 55 CO -0.14 0.33 -0.16 2.35 -1.07 0.00 0.00 179.97 181.28 2f76 h TRP 56 N 0.19 -0.41 0.00 3.04 7.01 -1.34 -2.89 115.95 121.55 2f76 h TRP 56 Ca 0.04 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.93 2f76 h TRP 56 Cb 0.34 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.52 2f76 h TRP 56 CO 0.00 -0.11 -0.47 0.00 -2.79 0.00 0.00 178.44 175.07 2f76 h ARG 57 N -0.67 0.00 -0.55 2.65 3.08 -1.22 -3.03 114.38 114.64 2f76 h ARG 57 Ca -0.04 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.09 2f76 h ARG 57 Cb 0.47 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 2f76 h ARG 57 CO 0.07 0.47 0.17 -0.09 -1.07 0.00 0.00 179.97 179.52 2f76 h ARG 58 N 0.00 0.32 -0.41 0.04 2.43 -0.49 0.99 114.38 117.26 2f76 h ARG 58 Ca -0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2f76 h ARG 58 Cb 0.90 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2f76 h ARG 58 CO 0.06 0.21 -0.07 0.28 -1.51 0.00 0.00 179.97 178.94 2f76 h VAL 59 N 0.33 1.27 0.03 0.20 2.07 -1.43 -2.58 116.25 116.15 2f76 h VAL 59 Ca 0.27 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2f76 h VAL 59 Cb 0.34 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2f76 h VAL 59 CO -0.30 0.39 -0.02 1.23 0.02 0.00 0.00 177.57 178.89 2f76 h GLY 60 N 0.60 -0.05 0.27 2.17 0.00 -1.13 -2.04 103.07 102.89 2f76 h GLY 60 Ca 0.11 0.02 0.15 0.00 0.00 0.00 0.00 47.33 47.61 2f76 h GLY 60 CO 0.04 -0.02 0.56 -0.55 0.00 0.00 0.00 176.54 176.57 2f76 h ASP 61 N -0.27 0.75 0.61 0.19 3.32 0.98 1.55 116.42 123.55 2f76 h ASP 61 Ca -0.00 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2f76 h ASP 61 Cb 0.25 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.75 2f76 h ASP 61 CO 0.01 0.33 -0.29 0.00 -1.72 0.00 0.00 179.24 177.57 2f76 h PHE 63 N -1.10 0.00 -0.64 0.00 0.04 -1.13 -1.84 116.94 112.27 2f76 h PHE 63 Ca -0.08 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 2f76 h PHE 63 Cb 0.62 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 2f76 h PHE 63 CO 0.02 0.17 0.16 0.37 -0.60 0.00 0.00 178.31 178.43 2f76 h GLN 64 N 0.00 1.01 -0.12 1.51 4.15 0.23 0.27 115.11 122.14 2f76 h GLN 64 Ca -0.00 -0.23 0.01 0.00 0.77 0.00 0.00 58.65 59.20 2f76 h GLN 64 Cb 0.37 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2f76 h GLN 64 CO 0.02 0.89 0.05 0.22 -1.93 0.00 0.00 178.83 178.08 2f76 h ASP 65 N 0.96 0.06 -0.29 -0.69 1.82 -0.62 0.58 116.42 118.25 2f76 h ASP 65 Ca 0.20 0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.75 2f76 h ASP 65 Cb 0.34 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 2f76 h ASP 65 CO 0.00 0.05 -0.23 1.88 -1.61 0.00 0.00 179.24 179.34 2f76 h TYR 66 N 0.11 0.78 -0.83 0.28 0.05 -1.46 -2.62 116.97 113.28 2f76 h TYR 66 Ca 0.05 -0.22 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 2f76 h TYR 66 Cb 0.02 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.55 2f76 h TYR 66 CO -0.10 0.94 0.43 1.88 -1.05 0.00 0.00 178.16 180.26 2f76 h TYR 67 N 0.40 1.16 -0.61 4.88 -1.99 -0.26 0.13 116.97 120.68 2f76 h TYR 67 Ca 0.05 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 2f76 h TYR 67 Cb 0.78 -0.37 -0.03 0.00 2.00 0.00 0.00 36.73 39.12 2f76 h TYR 67 CO 0.07 0.81 0.27 -0.91 -0.00 0.00 0.00 178.16 178.40 2f76 h ASN 68 N 1.17 0.82 -0.33 3.88 -0.26 0.23 0.12 115.58 121.21 2f76 h ASN 68 Ca 0.29 -0.15 -0.13 0.00 -0.56 0.00 0.00 56.30 55.75 2f76 h ASN 68 Cb 0.06 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.10 2f76 h ASN 68 CO -0.04 0.75 -0.30 0.71 -1.06 0.00 0.00 177.43 177.48 2f76 h THR 69 N 0.84 1.29 -0.79 2.81 1.35 -1.06 -3.13 112.91 114.22 2f76 h THR 69 Ca 0.21 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.57 2f76 h THR 69 Cb 0.17 1.50 -0.04 0.00 -1.73 0.00 0.00 68.15 68.05 2f76 h THR 69 CO -0.02 0.48 0.39 -0.26 -0.25 0.00 0.00 175.52 175.86 2f76 h PHE 70 N 0.55 1.12 0.00 4.73 -1.00 -0.49 -3.47 116.94 118.38 2f76 h PHE 70 Ca 0.05 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2f76 h PHE 70 Cb 0.88 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.09 2f76 h PHE 70 CO 0.07 0.81 0.00 0.41 -1.61 0.00 0.00 178.31 177.99 2f76 n GLY 71 N -1.02 3.61 3.52 -1.45 0.00 0.34 -5.08 105.19 105.11 2f76 n GLY 71 Ca 0.07 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 0.46 -0.07 1.61 -0.02 -0.72 -4.75 135.00 131.51 2f76 n PRO 72 Ca 0.00 -0.03 0.11 0.00 -2.02 0.00 0.00 63.50 61.56 2f76 n PRO 72 Cb 0.00 -2.39 0.37 0.00 -0.02 0.00 0.00 33.50 31.46 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 8.61 1.85 -0.20 -0.52 0.28 -1.26 -3.71 120.64 125.69 2f76 n GLU 73 Ca 0.53 -1.27 0.13 0.00 -0.16 0.00 0.00 57.16 56.40 2f76 n GLU 73 Cb 0.27 -1.43 0.25 0.00 1.43 0.00 0.00 31.44 31.96 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 0.50 -0.04 -3.84 3.44 4.81 -1.26 -1.77 118.16 120.00 2f76 n LYS 74 Ca 0.17 0.87 -0.32 0.00 -0.87 0.00 0.00 58.31 58.16 2f76 n LYS 74 Cb 0.39 -1.46 -0.12 0.00 0.02 0.00 0.00 35.03 33.86 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 -5.23 3.17 0.57 3.15 -7.23 -1.26 -4.74 120.40 108.84 2f76 s VAL 75 Ca -0.07 -3.47 -0.20 0.00 -1.81 0.00 0.00 61.98 56.43 2f76 s VAL 75 Cb 0.19 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 2f76 s VAL 75 CO 0.47 -0.89 1.20 -2.65 -0.31 0.00 0.00 175.10 172.91 2f76 n PRO 76 N 2.90 1.30 0.27 4.82 -0.02 -0.73 -4.89 135.00 138.66 2f76 n PRO 76 Ca 0.10 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 62.19 2f76 n PRO 76 Cb 0.35 -2.40 0.75 0.00 -0.02 0.00 0.00 33.50 32.18 2f76 n PRO 76 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2f76 h VAL 77 N 0.96 0.76 0.00 -1.45 3.04 -1.94 -2.12 116.25 115.51 2f76 h VAL 77 Ca -0.50 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 2f76 h VAL 77 Cb 1.33 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2f76 h VAL 77 CO 0.54 0.04 0.43 0.71 -1.01 0.00 0.00 177.57 178.28 2f76 h THR 78 N 0.00 0.00 -0.67 3.17 1.35 -2.01 0.30 112.91 115.06 2f76 h THR 78 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 2f76 h THR 78 Cb 0.09 0.26 -0.03 0.00 -1.73 0.00 0.00 68.15 66.74 2f76 h THR 78 CO 0.01 0.00 0.29 0.00 -0.25 0.00 0.00 175.52 175.57 2f76 h ALA 79 N 0.91 1.26 -0.63 6.62 0.00 -1.74 -2.66 119.26 123.01 2f76 h ALA 79 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2f76 h ALA 79 Cb 0.85 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2f76 h ALA 79 CO 0.00 0.56 0.36 0.35 0.00 0.00 0.00 179.25 180.51 2f76 h PHE 80 N 0.95 0.86 0.20 0.00 3.04 -0.64 0.49 116.94 121.84 2f76 h PHE 80 Ca 0.23 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 2f76 h PHE 80 Cb 0.15 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.38 2f76 h PHE 80 CO 0.01 0.61 -0.10 1.03 -2.02 0.00 0.00 178.31 177.84 2f76 h SER 81 N 0.86 -0.23 -0.15 0.41 0.87 -1.62 -2.06 113.55 111.63 2f76 h SER 81 Ca 0.22 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2f76 h SER 81 Cb 0.02 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2f76 h SER 81 CO -0.04 -0.13 0.08 1.88 -0.53 0.00 0.00 176.83 178.09 2f76 h TYR 82 N -0.31 0.25 -0.49 2.24 0.05 -1.36 -0.23 116.97 117.12 2f76 h TYR 82 Ca -0.03 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2f76 h TYR 82 Cb 0.24 -0.08 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 2f76 h TYR 82 CO -0.05 0.20 0.32 2.35 -1.05 0.00 0.00 178.16 179.93 2f76 h TRP 83 N 0.26 0.62 -0.82 4.88 7.01 -0.22 -1.26 115.95 126.41 2f76 h TRP 83 Ca 0.07 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.15 2f76 h TRP 83 Cb 0.05 -0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 26.84 2f76 h TRP 83 CO 0.00 0.40 0.49 -0.97 -2.79 0.00 0.00 178.44 175.57 2f76 h ASN 84 N 0.67 0.74 -0.88 2.65 -0.73 -0.49 0.31 115.58 117.85 2f76 h ASN 84 Ca 0.18 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.37 2f76 h ASN 84 Cb -0.06 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.36 2f76 h ASN 84 CO -0.04 0.46 0.51 -0.07 -0.37 0.00 0.00 177.43 177.92 2f76 h LEU 85 N 0.87 1.08 -0.48 0.34 -0.00 -1.25 -2.56 115.31 113.30 2f76 h LEU 85 Ca 0.37 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 58.14 2f76 h LEU 85 Cb 0.24 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.61 2f76 h LEU 85 CO -0.20 0.84 0.19 0.40 -0.00 0.00 0.00 178.44 179.67 2f76 h ILE 86 N 1.22 1.21 -0.69 1.22 2.04 -0.81 -2.25 117.51 119.44 2f76 h ILE 86 Ca 0.31 -0.65 0.15 0.00 1.00 0.00 0.00 64.86 65.67 2f76 h ILE 86 Cb -0.02 0.74 -0.13 0.00 -0.74 0.00 0.00 36.82 36.68 2f76 h ILE 86 CO -0.06 0.24 -0.09 0.11 0.00 0.00 0.00 178.15 178.36 2f76 h LYS 87 N 0.64 0.05 -0.32 2.37 1.57 -0.60 0.46 116.57 120.73 2f76 h LYS 87 Ca 0.16 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 2f76 h LYS 87 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2f76 h LYS 87 CO -0.01 0.03 -0.17 0.93 -0.57 0.00 0.00 179.45 179.66 2f76 h GLU 88 N 0.05 0.57 -0.04 3.15 5.08 -1.39 -1.04 114.58 120.96 2f76 h GLU 88 Ca 0.35 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2f76 h GLU 88 Cb 0.58 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2f76 h GLU 88 CO -0.66 0.71 0.02 1.25 -1.00 0.00 0.00 179.01 179.32 2f76 h LEU 89 N 0.51 0.06 -0.34 1.33 5.85 0.41 -1.44 115.31 121.69 2f76 h LEU 89 Ca 0.09 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 2f76 h LEU 89 Cb 0.58 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2f76 h LEU 89 CO 0.04 0.21 -0.28 0.40 -0.34 0.00 0.00 178.44 178.47 2f76 h ILE 90 N -0.10 1.29 -0.63 4.05 2.04 -0.92 -2.81 117.51 120.43 2f76 h ILE 90 Ca 0.01 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.47 2f76 h ILE 90 Cb 0.17 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 2f76 h ILE 90 CO -0.00 0.47 0.37 0.44 0.00 0.00 0.00 178.15 179.43 2f76 h ASP 91 N 0.57 0.57 -0.84 1.72 3.32 -1.15 -0.47 116.42 120.15 2f76 h ASP 91 Ca 0.06 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2f76 h ASP 91 Cb 0.85 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.26 2f76 h ASP 91 CO 0.07 0.39 0.46 0.11 -1.72 0.00 0.00 179.24 178.55 2f76 h LYS 92 N 0.70 1.17 -0.74 3.56 1.57 -1.22 -2.48 116.57 119.13 2f76 h LYS 92 Ca 0.27 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2f76 h LYS 92 Cb 0.09 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2f76 h LYS 92 CO -0.14 0.86 0.37 0.87 -0.57 0.00 0.00 179.45 180.84 2f76 h LYS 93 N 1.17 1.06 0.00 3.15 1.57 -1.04 -0.95 116.57 121.53 2f76 h LYS 93 Ca 0.30 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2f76 h LYS 93 Cb 0.03 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2f76 h LYS 93 CO -0.05 0.82 0.02 0.39 -0.57 0.00 0.00 179.45 180.06 2f76 n GLU 94 N -4.41 0.00 -5.00 3.15 -0.58 -0.28 -4.39 120.64 109.13 2f76 n GLU 94 Ca 0.06 0.15 -0.32 0.00 -0.42 0.00 0.00 57.16 56.63 2f76 n GLU 94 Cb 0.12 -1.52 -0.15 0.00 -0.57 0.00 0.00 31.44 29.32 2f76 n GLU 94 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2f76 s VAL 95 N -2.23 2.60 -0.62 2.62 1.01 -0.36 -4.79 120.40 118.62 2f76 s VAL 95 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 2f76 s VAL 95 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.35 2f76 s VAL 95 CO 0.00 0.55 0.64 -3.20 0.00 0.00 0.00 175.10 173.09 2f76 n ASN 96 N 3.27 -7.59 -4.71 3.32 2.85 -1.26 -4.91 115.26 106.24 2f76 n ASN 96 Ca -0.18 0.11 -0.41 0.00 -0.11 0.00 0.00 54.58 53.98 2f76 n ASN 96 Cb 0.53 -5.15 0.01 0.00 1.24 0.00 0.00 39.78 36.40 2f76 n ASN 96 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2f76 n PRO 97 N -1.30 2.07 -4.24 1.20 -0.02 -1.26 -5.02 135.00 126.42 2f76 n PRO 97 Ca 0.03 0.73 -0.18 0.00 -2.02 0.00 0.00 63.50 62.06 2f76 n PRO 97 Cb 0.48 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 2f76 n PRO 97 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2f76 s GLN 98 N -2.10 0.83 -0.06 -0.52 -1.52 -1.26 -5.15 119.66 109.87 2f76 s GLN 98 Ca 0.58 -0.83 0.04 0.00 -1.95 0.00 0.00 55.36 53.21 2f76 s GLN 98 Cb -0.52 -0.81 -0.00 0.00 -0.22 0.00 0.00 33.01 31.45 2f76 s GLN 98 CO 0.60 0.19 -0.19 0.08 -0.25 0.00 0.00 175.29 175.71 2f76 s VAL 99 N -1.06 1.63 -0.51 1.09 1.01 -1.26 -5.24 120.40 116.05 2f76 s VAL 99 Ca -0.01 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2f76 s VAL 99 Cb -0.09 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2f76 s VAL 99 CO 0.02 0.46 0.63 0.23 0.00 0.00 0.00 175.10 176.44