#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 0.98 -0.45 3.03 0.00 -2.13 -3.48 103.07 101.02 2f76 h GLY 2 Ca 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 47.33 46.95 2f76 h GLY 2 CO 0.00 0.42 -0.07 -1.06 0.00 0.00 0.00 176.54 175.83 2f76 n GLN 3 N -4.37 -0.41 -3.85 4.80 6.02 -1.26 -4.63 117.38 113.69 2f76 n GLN 3 Ca 0.06 0.27 -0.36 0.00 -0.01 0.00 0.00 57.00 56.96 2f76 n GLN 3 Cb 0.11 -0.49 -0.13 0.00 1.02 0.00 0.00 30.24 30.74 2f76 n GLN 3 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2f76 s GLU 4 N -0.37 3.27 -0.22 -1.09 2.02 -1.26 -5.09 118.70 115.96 2f76 s GLU 4 Ca 0.00 -0.71 -0.08 0.00 0.02 0.00 0.00 54.97 54.20 2f76 s GLU 4 Cb 0.00 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 2f76 s GLU 4 CO 0.00 -0.29 0.08 -1.17 0.02 0.00 0.00 175.26 173.90 2f76 s LEU 5 N 1.48 3.74 0.11 1.80 2.96 -1.26 -5.03 118.68 122.47 2f76 s LEU 5 Ca 0.04 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2f76 s LEU 5 Cb -0.15 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2f76 s LEU 5 CO -0.01 0.08 0.01 -0.94 -1.32 0.00 0.00 176.35 174.17 2f76 s SER 6 N 0.94 0.55 0.42 3.68 1.04 -1.26 -5.04 113.70 114.03 2f76 s SER 6 Ca 0.04 -1.12 0.13 0.00 0.48 0.00 0.00 55.95 55.49 2f76 s SER 6 Cb -0.14 0.22 0.90 0.00 0.10 0.00 0.00 66.02 67.10 2f76 s SER 6 CO 0.03 -0.64 1.94 -0.61 0.98 0.00 0.00 173.24 174.94 2f76 h GLN 7 N 2.94 0.05 -0.53 4.02 4.15 -2.00 -2.35 115.11 121.39 2f76 h GLN 7 Ca -0.35 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 58.99 2f76 h GLN 7 Cb 1.18 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 2f76 h GLN 7 CO 0.62 0.26 0.07 0.45 -1.93 0.00 0.00 178.83 178.30 2f76 h HIS 8 N 0.04 0.89 -0.06 3.99 3.86 -2.00 -2.03 115.15 119.84 2f76 h HIS 8 Ca 0.01 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 59.04 2f76 h HIS 8 Cb 0.41 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 2f76 h HIS 8 CO 0.00 0.78 -0.27 0.93 0.86 0.00 0.00 177.93 180.23 2f76 h GLU 9 N 0.81 0.11 -0.26 2.45 5.08 -1.83 -2.38 114.58 118.55 2f76 h GLU 9 Ca 0.17 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 2f76 h GLU 9 Cb 0.39 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2f76 h GLU 9 CO 0.01 0.38 -0.56 0.00 -1.00 0.00 0.00 179.01 177.84 2f76 h ARG 10 N 0.10 0.79 0.23 2.33 3.08 -1.27 -1.55 114.38 118.10 2f76 h ARG 10 Ca 0.01 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 2f76 h ARG 10 Cb 0.54 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2f76 h ARG 10 CO 0.04 1.14 -0.11 -0.92 -1.07 0.00 0.00 179.97 179.04 2f76 h TYR 11 N 0.60 -0.29 -0.58 3.04 3.20 -1.06 -1.26 116.97 120.62 2f76 h TYR 11 Ca 0.01 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 2f76 h TYR 11 Cb 1.15 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 2f76 h TYR 11 CO 0.07 -0.04 0.22 -0.24 -1.64 0.00 0.00 178.16 176.53 2f76 h VAL 12 N -0.52 1.23 -0.70 1.81 3.04 -1.51 -2.45 116.25 117.15 2f76 h VAL 12 Ca -0.03 -0.73 0.03 0.00 -1.01 0.00 0.00 66.70 64.96 2f76 h VAL 12 Cb 0.39 0.62 -0.04 0.00 -2.01 0.00 0.00 31.29 30.24 2f76 h VAL 12 CO 0.05 0.28 0.47 -0.33 -1.01 0.00 0.00 177.57 177.03 2f76 h GLU 13 N 0.81 0.84 -0.80 4.17 5.08 -1.24 -1.35 114.58 122.09 2f76 h GLU 13 Ca 0.19 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2f76 h GLU 13 Cb 0.22 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2f76 h GLU 13 CO -0.01 0.56 0.35 1.96 -1.00 0.00 0.00 179.01 180.86 2f76 h GLN 14 N 0.87 1.17 -0.77 2.33 1.08 -0.75 -2.23 115.11 116.80 2f76 h GLN 14 Ca 0.28 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2f76 h GLN 14 Cb 0.04 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 2f76 h GLN 14 CO -0.08 0.93 0.37 -0.07 -0.95 0.00 0.00 178.83 179.03 2f76 h LEU 15 N 1.15 0.99 -0.29 1.46 3.38 -0.98 0.91 115.31 121.93 2f76 h LEU 15 Ca 0.27 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.17 2f76 h LEU 15 Cb 0.17 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2f76 h LEU 15 CO -0.03 0.84 0.05 0.50 0.09 0.00 0.00 178.44 179.89 2f76 h LYS 16 N 1.09 0.15 -0.07 1.13 3.64 -0.93 0.54 116.57 122.12 2f76 h LYS 16 Ca 0.26 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 2f76 h LYS 16 Cb 0.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2f76 h LYS 16 CO -0.03 0.10 -0.26 1.96 -2.27 0.00 0.00 179.45 178.95 2f76 h GLN 17 N 0.16 0.31 0.15 1.90 4.20 -1.30 -1.79 115.11 118.74 2f76 h GLN 17 Ca 0.14 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2f76 h GLN 17 Cb 0.15 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2f76 h GLN 17 CO -0.18 0.86 -0.07 0.00 -0.67 0.00 0.00 178.83 178.77 2f76 h ALA 18 N 0.44 -0.20 0.00 3.87 0.00 -0.66 -2.47 119.26 120.23 2f76 h ALA 18 Ca -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2f76 h ALA 18 Cb 0.90 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2f76 h ALA 18 CO 0.06 -0.59 -0.22 -0.07 0.00 0.00 0.00 179.25 178.43 2f76 h LEU 19 N -0.25 0.00 -0.99 0.00 3.38 -0.02 -2.53 115.31 114.91 2f76 h LEU 19 Ca -0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2f76 h LEU 19 Cb 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2f76 h LEU 19 CO 0.03 0.22 0.65 0.11 0.09 0.00 0.00 178.44 179.54 2f76 h LYS 20 N 0.00 1.25 0.00 1.13 1.57 -0.86 0.11 116.57 119.77 2f76 h LYS 20 Ca -0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2f76 h LYS 20 Cb 0.40 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2f76 h LYS 20 CO 0.03 0.83 0.00 0.25 -0.57 0.00 0.00 179.45 179.99 2f76 n THR 21 N -4.43 1.05 0.88 -0.16 -2.24 -0.95 -1.55 114.28 106.89 2f76 n THR 21 Ca 0.13 0.31 0.11 0.00 -2.27 0.00 0.00 64.05 62.33 2f76 n THR 21 Cb 0.06 -1.17 0.09 0.00 -2.10 0.00 0.00 70.33 67.21 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 -1.82 0.08 0.00 -0.78 1.74 0.32 -4.93 116.66 111.27 2f76 n ARG 22 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2f76 n ARG 22 Cb 0.16 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 2f76 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f76 n GLY 23 N 1.46 1.63 3.69 -0.13 0.00 -0.59 -4.99 105.19 106.26 2f76 n GLY 23 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 4.88 -0.77 1.61 1.01 -0.92 -4.98 120.40 119.23 2f76 s VAL 24 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2f76 s VAL 24 Cb 0.00 -3.17 0.19 0.00 0.00 0.00 0.00 36.38 33.40 2f76 s VAL 24 CO 0.00 0.51 0.60 -0.75 0.00 0.00 0.00 175.10 175.46 2f76 s LYS 25 N -0.06 2.79 -0.07 2.72 2.20 -1.26 -3.98 119.74 122.08 2f76 s LYS 25 Ca 0.07 -3.25 0.05 0.00 -0.36 0.00 0.00 55.97 52.48 2f76 s LYS 25 Cb -0.12 -3.66 -0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2f76 s LYS 25 CO 0.01 -1.26 -0.21 0.14 -0.36 0.00 0.00 175.35 173.66 2f76 s VAL 26 N -1.29 1.79 0.56 4.02 -7.23 -1.26 -5.04 120.40 111.95 2f76 s VAL 26 Ca 0.25 -0.90 -0.17 0.00 -1.81 0.00 0.00 61.98 59.35 2f76 s VAL 26 Cb -0.08 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 2f76 s VAL 26 CO -0.13 0.50 1.04 -0.54 -0.31 0.00 0.00 175.10 175.66 2f76 s LYS 27 N 0.12 3.52 0.13 4.82 1.02 -1.26 -4.90 119.74 123.19 2f76 s LYS 27 Ca -0.09 1.21 -0.18 0.00 0.02 0.00 0.00 55.97 56.93 2f76 s LYS 27 Cb -0.15 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 2f76 s LYS 27 CO 0.05 -0.65 1.74 -0.92 -0.92 0.00 0.00 175.35 174.66 2f76 h TYR 28 N 0.78 0.39 -0.47 3.18 3.20 -1.98 -2.42 116.97 119.65 2f76 h TYR 28 Ca -0.47 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.36 2f76 h TYR 28 Cb 1.22 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 2f76 h TYR 28 CO 0.59 0.30 0.15 0.00 -1.64 0.00 0.00 178.16 177.56 2f76 h ALA 29 N 1.05 1.38 0.17 1.82 0.00 -1.98 -0.85 119.26 120.86 2f76 h ALA 29 Ca 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2f76 h ALA 29 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2f76 h ALA 29 CO -0.02 0.45 -0.13 0.22 0.00 0.00 0.00 179.25 179.77 2f76 h ASP 30 N 0.67 -0.34 -0.54 0.00 3.58 -1.81 0.19 116.42 118.18 2f76 h ASP 30 Ca 0.16 0.03 -0.09 0.00 0.42 0.00 0.00 57.03 57.55 2f76 h ASP 30 Cb 0.20 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 2f76 h ASP 30 CO -0.01 -0.21 0.01 -0.07 -2.88 0.00 0.00 179.24 176.08 2f76 h LEU 31 N -0.31 0.94 -0.36 2.28 3.38 -1.30 0.17 115.31 120.10 2f76 h LEU 31 Ca -0.01 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2f76 h LEU 31 Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2f76 h LEU 31 CO -0.01 1.01 0.22 0.25 0.09 0.00 0.00 178.44 180.00 2f76 h LEU 32 N 0.83 0.43 -0.31 1.67 5.85 -0.91 0.24 115.31 123.13 2f76 h LEU 32 Ca 0.15 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 2f76 h LEU 32 Cb 0.53 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 2f76 h LEU 32 CO 0.03 0.36 -0.30 0.11 -0.34 0.00 0.00 178.44 178.30 2f76 h LYS 33 N 0.47 0.74 -0.42 1.25 1.57 -0.52 -2.84 116.57 116.83 2f76 h LYS 33 Ca 0.13 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2f76 h LYS 33 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2f76 h LYS 33 CO -0.02 1.01 0.24 0.35 -0.57 0.00 0.00 179.45 180.46 2f76 h PHE 34 N 0.50 0.55 -0.98 -1.35 3.57 -0.39 -2.20 116.94 116.65 2f76 h PHE 34 Ca 0.05 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.63 2f76 h PHE 34 Cb 0.87 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.36 2f76 h PHE 34 CO 0.07 0.40 0.62 0.35 -2.23 0.00 0.00 178.31 177.52 2f76 h PHE 35 N 0.54 1.14 0.00 0.41 3.04 -0.51 0.36 116.94 121.92 2f76 h PHE 35 Ca 0.15 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.10 2f76 h PHE 35 Cb 0.02 -0.37 -0.00 0.00 2.56 0.00 0.00 35.95 38.15 2f76 h PHE 35 CO -0.03 0.54 -0.16 -0.44 -2.02 0.00 0.00 178.31 176.20 2f76 h ASP 36 N 1.07 0.00 0.29 0.41 3.32 -1.17 -2.44 116.42 117.90 2f76 h ASP 36 Ca 0.44 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 2f76 h ASP 36 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2f76 h ASP 36 CO -0.21 0.16 -0.14 0.15 -1.72 0.00 0.00 179.24 177.48 2f76 h PHE 37 N 0.00 -0.36 0.00 4.55 3.04 0.28 -1.65 116.94 122.80 2f76 h PHE 37 Ca -0.00 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 2f76 h PHE 37 Cb 0.31 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.94 2f76 h PHE 37 CO 0.00 -0.13 -0.11 -0.24 -2.02 0.00 0.00 178.31 175.81 2f76 h VAL 38 N -0.53 0.92 -0.53 1.41 3.04 -1.32 -1.94 116.25 117.30 2f76 h VAL 38 Ca -0.04 -0.40 -0.09 0.00 -1.01 0.00 0.00 66.70 65.16 2f76 h VAL 38 Cb 0.39 1.22 -0.02 0.00 -2.01 0.00 0.00 31.29 30.88 2f76 h VAL 38 CO 0.06 0.11 -0.02 0.11 -1.01 0.00 0.00 177.57 176.82 2f76 h LYS 39 N 0.00 0.95 -0.26 4.17 1.57 -1.07 3.77 116.57 125.70 2f76 h LYS 39 Ca -0.00 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 2f76 h LYS 39 Cb 0.22 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2f76 h LYS 39 CO 0.01 0.98 0.06 -0.44 -0.57 0.00 0.00 179.45 179.49 2f76 h ASP 40 N 0.83 0.03 0.00 0.86 3.32 -0.49 -3.33 116.42 117.64 2f76 h ASP 40 Ca 0.15 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.08 2f76 h ASP 40 Cb 0.56 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2f76 h ASP 40 CO 0.03 0.05 -1.24 0.35 -1.72 0.00 0.00 179.24 176.71 2f76 n THR 41 N -5.07 1.49 -3.83 0.35 -2.24 -1.16 -5.01 114.28 98.81 2f76 n THR 41 Ca -0.01 0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2f76 n THR 41 Cb 0.11 -2.19 0.03 0.00 -2.10 0.00 0.00 70.33 66.18 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 -1.94 0.14 0.00 0.00 0.11 -1.95 -3.46 132.00 124.90 2f76 h PRO 43 Ca -0.66 -0.04 -0.29 0.00 0.11 0.00 0.00 66.00 65.11 2f76 h PRO 43 Cb 1.37 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.40 2f76 h PRO 43 CO 0.48 0.40 -0.16 -2.67 -0.21 0.00 0.00 178.00 175.84 2f76 n TRP 44 N -4.18 -1.46 0.00 0.65 2.14 -1.26 -5.06 117.44 108.27 2f76 n TRP 44 Ca -0.01 -2.42 0.00 0.00 2.07 0.00 0.00 57.50 57.13 2f76 n TRP 44 Cb 0.35 0.56 0.00 0.00 -0.81 0.00 0.00 31.31 31.41 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 -0.59 0.00 -2.18 -2.67 -0.00 -1.26 -4.94 117.46 105.81 2f76 n PHE 45 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.04 2f76 n PHE 45 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 40.06 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 2f76 s PRO 46 N 0.00 4.25 0.00 -7.13 0.02 -1.26 -4.97 135.00 125.91 2f76 s PRO 46 Ca 0.00 2.00 -0.19 0.00 0.02 0.00 0.00 61.00 62.84 2f76 s PRO 46 Cb 0.00 -3.68 0.04 0.00 0.02 0.00 0.00 34.50 30.87 2f76 s PRO 46 CO 0.00 -0.66 0.41 -0.65 -0.33 0.00 0.00 177.00 175.77 2f76 s GLN 47 N 2.89 0.83 -0.11 5.54 -0.21 -1.26 -5.12 119.66 122.21 2f76 s GLN 47 Ca 0.65 -0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.80 2f76 s GLN 47 Cb -0.31 0.37 0.06 0.00 1.00 0.00 0.00 33.01 34.12 2f76 s GLN 47 CO 0.26 -0.26 0.22 -1.21 -2.12 0.00 0.00 175.29 172.19 2f76 s GLU 48 N -1.75 0.12 0.00 2.91 2.02 -1.26 -4.92 118.70 115.81 2f76 s GLU 48 Ca -0.10 0.65 0.00 0.00 0.02 0.00 0.00 54.97 55.54 2f76 s GLU 48 Cb -0.03 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.08 2f76 s GLU 48 CO 0.03 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.44 2f76 n GLY 49 N 5.16 2.23 3.84 -1.39 0.00 -1.26 -5.03 105.19 108.74 2f76 n GLY 49 Ca -0.09 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 2f76 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f76 s THR 50 N 0.00 3.39 -0.28 2.61 -4.23 -1.26 -4.90 115.64 110.96 2f76 s THR 50 Ca 0.00 0.45 -0.39 0.00 -1.18 0.00 0.00 61.69 60.57 2f76 s THR 50 Cb 0.00 -3.31 -0.14 0.00 1.34 0.00 0.00 72.50 70.38 2f76 s THR 50 CO 0.00 -0.59 1.87 -0.38 -0.54 0.00 0.00 174.62 174.98 2f76 n ILE 51 N -3.20 0.31 -0.07 2.99 5.41 -1.26 -4.84 119.36 118.70 2f76 n ILE 51 Ca 0.07 -0.10 -0.15 0.00 1.00 0.00 0.00 62.75 63.57 2f76 n ILE 51 Cb 0.56 -1.36 -0.05 0.00 -0.71 0.00 0.00 39.64 38.09 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 8.57 0.95 0.08 4.38 3.58 -1.91 -2.80 116.42 129.27 2f76 h ASP 52 Ca -0.41 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.49 2f76 h ASP 52 Cb 1.32 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2f76 h ASP 52 CO 0.98 1.32 0.00 -0.38 -2.88 0.00 0.00 179.24 178.28 2f76 n ILE 53 N -4.03 0.68 -0.11 2.25 5.41 -1.26 -2.57 119.36 119.73 2f76 n ILE 53 Ca -0.05 0.17 -0.10 0.00 1.00 0.00 0.00 62.75 63.78 2f76 n ILE 53 Cb 0.63 -1.07 -0.02 0.00 -0.71 0.00 0.00 39.64 38.48 2f76 n ILE 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2f76 h LYS 54 N 0.00 0.52 -0.36 0.38 3.64 -1.87 -1.54 116.57 117.34 2f76 h LYS 54 Ca 0.00 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 2f76 h LYS 54 Cb 0.04 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2f76 h LYS 54 CO 0.00 0.51 -0.24 0.00 -2.27 0.00 0.00 179.45 177.45 2f76 h ARG 55 N 0.41 0.73 -0.40 1.90 3.08 -1.71 -1.50 114.38 116.89 2f76 h ARG 55 Ca 0.11 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 2f76 h ARG 55 Cb 0.19 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2f76 h ARG 55 CO -0.01 0.90 0.15 2.35 -1.07 0.00 0.00 179.97 182.29 2f76 h TRP 56 N 0.64 0.62 -0.20 3.04 7.01 -1.64 -2.59 115.95 122.83 2f76 h TRP 56 Ca 0.09 -0.05 -0.11 0.00 2.11 0.00 0.00 58.89 60.92 2f76 h TRP 56 Cb 0.74 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 2f76 h TRP 56 CO 0.04 0.56 -0.35 0.00 -2.79 0.00 0.00 178.44 175.90 2f76 h ARG 57 N 0.50 0.43 -0.28 2.65 -0.00 -1.22 -2.82 114.38 113.64 2f76 h ARG 57 Ca 0.13 -0.19 0.02 0.00 -0.50 0.00 0.00 59.98 59.44 2f76 h ARG 57 Cb 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 29.97 30.15 2f76 h ARG 57 CO -0.01 0.73 0.13 0.00 0.00 0.00 0.00 179.97 180.82 2f76 h ARG 58 N 0.37 0.27 -0.46 0.04 3.08 -0.97 0.20 114.38 116.90 2f76 h ARG 58 Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2f76 h ARG 58 Cb 0.79 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 2f76 h ARG 58 CO 0.06 0.18 0.24 0.28 -1.07 0.00 0.00 179.97 179.66 2f76 h VAL 59 N 0.28 1.18 -0.01 2.04 2.07 -1.39 0.21 116.25 120.62 2f76 h VAL 59 Ca 0.12 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2f76 h VAL 59 Cb 0.05 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2f76 h VAL 59 CO -0.10 0.19 0.01 1.23 0.02 0.00 0.00 177.57 178.92 2f76 h GLY 60 N 0.61 0.01 1.08 2.17 0.00 -1.20 0.70 103.07 106.44 2f76 h GLY 60 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 2f76 h GLY 60 CO -0.02 0.01 0.47 -0.55 0.00 0.00 0.00 176.54 176.45 2f76 h ASP 61 N -0.05 1.08 0.59 0.19 3.32 -0.47 0.47 116.42 121.55 2f76 h ASP 61 Ca 0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2f76 h ASP 61 Cb 0.06 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 39.34 2f76 h ASP 61 CO -0.00 0.87 -0.29 0.00 -1.72 0.00 0.00 179.24 178.10 2f76 h PHE 63 N -1.10 0.14 -0.72 0.00 0.04 -0.86 -1.54 116.94 112.90 2f76 h PHE 63 Ca -0.08 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 2f76 h PHE 63 Cb 0.61 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 2f76 h PHE 63 CO 0.02 0.12 0.30 0.37 -0.60 0.00 0.00 178.31 178.52 2f76 h GLN 64 N 0.14 1.05 -0.28 1.51 -0.00 -0.02 0.21 115.11 117.72 2f76 h GLN 64 Ca 0.04 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 58.52 2f76 h GLN 64 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.33 2f76 h GLN 64 CO -0.00 0.84 0.19 -0.44 0.00 0.00 0.00 178.83 179.41 2f76 h ASP 65 N 1.03 0.33 -0.13 -0.69 3.32 -0.68 0.51 116.42 120.11 2f76 h ASP 65 Ca 0.24 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 2f76 h ASP 65 Cb 0.17 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2f76 h ASP 65 CO -0.02 0.24 -0.36 1.88 -1.72 0.00 0.00 179.24 179.25 2f76 h TYR 66 N 0.38 0.62 -0.40 4.55 0.05 -1.45 -2.31 116.97 118.42 2f76 h TYR 66 Ca 0.10 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.63 2f76 h TYR 66 Cb -0.04 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 2f76 h TYR 66 CO -0.06 0.98 0.21 1.88 -1.05 0.00 0.00 178.16 180.13 2f76 h TYR 67 N 0.09 0.55 -0.70 4.88 -1.99 -0.45 0.68 116.97 120.02 2f76 h TYR 67 Ca -0.01 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 2f76 h TYR 67 Cb 0.98 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.50 2f76 h TYR 67 CO 0.11 0.44 0.33 -0.91 -0.00 0.00 0.00 178.16 178.12 2f76 h ASN 68 N 0.51 0.92 -0.33 3.88 -0.26 0.15 0.29 115.58 120.75 2f76 h ASN 68 Ca 0.14 -0.14 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 2f76 h ASN 68 Cb 0.07 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 2f76 h ASN 68 CO -0.02 0.80 0.10 0.74 -1.06 0.00 0.00 177.43 177.99 2f76 h THR 69 N 0.98 1.21 -0.69 2.81 2.02 -1.11 -2.87 112.91 115.26 2f76 h THR 69 Ca 0.24 -0.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 2f76 h THR 69 Cb 0.13 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2f76 h THR 69 CO -0.03 0.23 0.15 -0.26 0.37 0.00 0.00 175.52 175.98 2f76 h PHE 70 N 0.37 1.16 0.00 3.16 0.04 -0.57 -3.47 116.94 117.63 2f76 h PHE 70 Ca 0.11 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2f76 h PHE 70 Cb 0.25 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.08 2f76 h PHE 70 CO 0.01 0.95 0.00 0.41 -0.60 0.00 0.00 178.31 179.08 2f76 n GLY 71 N -0.67 2.97 3.46 -1.45 0.00 0.89 -5.09 105.19 105.31 2f76 n GLY 71 Ca 0.05 -0.41 -0.46 0.00 0.00 0.00 0.00 46.02 45.20 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 0.63 -0.12 1.61 -0.02 -0.44 -4.71 135.00 131.95 2f76 n PRO 72 Ca 0.00 0.11 0.10 0.00 -2.02 0.00 0.00 63.50 61.69 2f76 n PRO 72 Cb 0.00 -2.27 0.32 0.00 -0.02 0.00 0.00 33.50 31.52 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 8.37 1.87 -0.28 -0.52 0.28 -1.26 -2.92 120.64 126.17 2f76 n GLU 73 Ca 0.49 -1.32 0.24 0.00 -0.16 0.00 0.00 57.16 56.41 2f76 n GLU 73 Cb 0.20 -1.40 0.45 0.00 1.43 0.00 0.00 31.44 32.13 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 -0.05 -3.93 3.44 4.81 -1.26 -2.34 118.16 119.36 2f76 n LYS 74 Ca 0.16 1.20 -0.29 0.00 -0.87 0.00 0.00 58.31 58.50 2f76 n LYS 74 Cb 0.37 -2.09 -0.13 0.00 0.02 0.00 0.00 35.03 33.19 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 -5.41 2.63 0.63 3.15 -7.23 -1.26 -4.52 120.40 108.39 2f76 s VAL 75 Ca -0.08 -3.55 -0.18 0.00 -1.81 0.00 0.00 61.98 56.35 2f76 s VAL 75 Cb 0.28 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2f76 s VAL 75 CO 0.66 -0.86 1.29 -2.84 -0.31 0.00 0.00 175.10 173.04 2f76 s PRO 76 N -0.58 2.66 0.42 4.82 0.02 -0.99 -4.58 135.00 136.78 2f76 s PRO 76 Ca 0.19 2.05 0.20 0.00 0.02 0.00 0.00 61.00 63.46 2f76 s PRO 76 Cb -0.20 -1.89 0.92 0.00 0.02 0.00 0.00 34.50 33.35 2f76 s PRO 76 CO -0.04 -1.51 1.86 -0.24 -0.33 0.00 0.00 177.00 176.74 2f76 h VAL 77 N 0.67 0.86 0.00 3.83 3.04 -1.92 -2.96 116.25 119.77 2f76 h VAL 77 Ca -0.51 -1.15 0.00 0.00 -1.01 0.00 0.00 66.70 64.03 2f76 h VAL 77 Cb 1.33 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 32.30 2f76 h VAL 77 CO 0.54 0.28 0.41 0.35 -1.01 0.00 0.00 177.57 178.14 2f76 n THR 78 N -3.69 0.52 0.02 3.17 -2.24 -1.26 0.18 114.28 110.98 2f76 n THR 78 Ca -0.01 0.61 0.02 0.00 -2.27 0.00 0.00 64.05 62.40 2f76 n THR 78 Cb 0.40 -1.61 0.37 0.00 -2.10 0.00 0.00 70.33 67.39 2f76 n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 h ALA 79 N 0.67 1.55 -0.19 6.98 0.00 -1.90 -2.67 119.26 123.69 2f76 h ALA 79 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2f76 h ALA 79 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2f76 h ALA 79 CO 0.00 0.34 0.12 0.35 0.00 0.00 0.00 179.25 180.07 2f76 h PHE 80 N 0.48 0.24 0.19 0.00 3.04 -0.55 0.12 116.94 120.45 2f76 h PHE 80 Ca 0.12 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 2f76 h PHE 80 Cb 0.15 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.58 2f76 h PHE 80 CO 0.01 0.15 -0.09 0.66 -2.02 0.00 0.00 178.31 177.01 2f76 h SER 81 N 0.26 -0.21 -0.39 0.41 4.64 -1.67 -2.21 113.55 114.37 2f76 h SER 81 Ca 0.07 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.40 2f76 h SER 81 Cb -0.03 0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2f76 h SER 81 CO -0.02 -0.14 0.26 1.88 -0.87 0.00 0.00 176.83 177.95 2f76 h TYR 82 N -0.27 0.42 -0.29 4.77 0.05 -1.37 0.38 116.97 120.66 2f76 h TYR 82 Ca -0.03 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2f76 h TYR 82 Cb 0.21 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 2f76 h TYR 82 CO -0.06 0.25 0.02 2.35 -1.05 0.00 0.00 178.16 179.68 2f76 h TRP 83 N 0.44 0.44 -0.76 4.88 7.01 -0.19 -2.23 115.95 125.54 2f76 h TRP 83 Ca 0.15 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.19 2f76 h TRP 83 Cb 0.07 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 26.94 2f76 h TRP 83 CO -0.00 0.43 0.45 -0.97 -2.79 0.00 0.00 178.44 175.56 2f76 h ASN 84 N 0.43 0.68 -0.75 2.65 -0.73 -0.34 -0.00 115.58 117.51 2f76 h ASN 84 Ca 0.10 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.25 2f76 h ASN 84 Cb 0.25 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 38.69 2f76 h ASN 84 CO 0.00 0.43 0.31 -0.07 -0.37 0.00 0.00 177.43 177.73 2f76 h LEU 85 N 0.81 1.04 -0.36 0.34 -0.00 -1.40 -2.79 115.31 112.95 2f76 h LEU 85 Ca 0.34 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 58.05 2f76 h LEU 85 Cb 0.20 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 2f76 h LEU 85 CO -0.19 0.92 0.14 0.40 -0.00 0.00 0.00 178.44 179.72 2f76 h ILE 86 N 1.10 1.19 -0.67 1.22 2.04 -0.90 -1.72 117.51 119.77 2f76 h ILE 86 Ca 0.26 -0.57 0.12 0.00 1.00 0.00 0.00 64.86 65.66 2f76 h ILE 86 Cb 0.20 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 2f76 h ILE 86 CO -0.02 0.20 0.21 0.11 0.00 0.00 0.00 178.15 178.65 2f76 h LYS 87 N 0.43 0.34 -0.30 2.37 1.57 -0.82 0.35 116.57 120.52 2f76 h LYS 87 Ca 0.12 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2f76 h LYS 87 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2f76 h LYS 87 CO -0.01 0.23 -0.08 0.93 -0.57 0.00 0.00 179.45 179.94 2f76 h GLU 88 N 0.35 0.49 0.05 3.15 5.08 -1.29 0.33 114.58 122.74 2f76 h GLU 88 Ca 0.36 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2f76 h GLU 88 Cb 0.52 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2f76 h GLU 88 CO -0.39 0.58 -0.02 1.25 -1.00 0.00 0.00 179.01 179.42 2f76 h LEU 89 N 0.46 -0.05 -0.28 1.33 5.85 0.46 -2.87 115.31 120.21 2f76 h LEU 89 Ca 0.09 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 2f76 h LEU 89 Cb 0.43 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2f76 h LEU 89 CO 0.02 0.35 -0.28 0.40 -0.34 0.00 0.00 178.44 178.59 2f76 h ILE 90 N -0.46 1.30 -0.81 4.05 2.04 -0.61 -3.05 117.51 119.97 2f76 h ILE 90 Ca -0.01 -1.45 0.16 0.00 1.00 0.00 0.00 64.86 64.57 2f76 h ILE 90 Cb 0.42 1.60 -0.10 0.00 -0.74 0.00 0.00 36.82 38.00 2f76 h ILE 90 CO 0.01 0.46 0.35 0.44 0.00 0.00 0.00 178.15 179.41 2f76 h ASP 91 N 0.42 0.33 -0.64 1.72 3.32 -0.39 0.93 116.42 122.11 2f76 h ASP 91 Ca 0.04 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 2f76 h ASP 91 Cb 0.85 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 2f76 h ASP 91 CO 0.07 0.10 0.23 0.11 -1.72 0.00 0.00 179.24 178.03 2f76 h LYS 92 N 0.46 0.98 -6.73 3.56 1.57 -1.46 -3.42 116.57 111.53 2f76 h LYS 92 Ca 0.46 -0.19 -0.52 0.00 -1.87 0.00 0.00 60.65 58.53 2f76 h LYS 92 Cb 0.75 -0.15 0.03 0.00 0.08 0.00 0.00 32.23 32.95 2f76 h LYS 92 CO -0.43 0.84 0.61 0.15 -0.57 0.00 0.00 179.45 180.05 2f76 s LYS 93 N -5.48 4.43 0.00 3.15 1.02 0.32 -4.92 119.74 118.26 2f76 s LYS 93 Ca -0.13 2.03 0.24 0.00 0.02 0.00 0.00 55.97 58.13 2f76 s LYS 93 Cb 0.13 -3.18 0.28 0.00 -0.52 0.00 0.00 37.83 34.55 2f76 s LYS 93 CO 0.81 -0.16 1.27 0.39 -0.92 0.00 0.00 175.35 176.75 2f76 n GLU 94 N 2.09 1.15 -4.20 1.68 1.02 -1.26 -4.92 120.64 116.21 2f76 n GLU 94 Ca 0.04 -0.88 -0.12 0.00 -0.02 0.00 0.00 57.16 56.18 2f76 n GLU 94 Cb 0.43 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 2f76 n GLU 94 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2f76 s VAL 95 N -2.45 0.71 -0.43 2.62 -7.23 -1.26 -5.11 120.40 107.25 2f76 s VAL 95 Ca 0.21 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2f76 s VAL 95 Cb 0.19 -1.88 0.23 0.00 0.56 0.00 0.00 36.38 35.47 2f76 s VAL 95 CO 0.54 -0.69 0.96 -0.46 -0.31 0.00 0.00 175.10 175.13 2f76 n ASN 96 N -0.14 -2.43 -4.74 4.85 6.94 -1.26 -5.10 115.26 113.39 2f76 n ASN 96 Ca -0.10 -2.38 -0.37 0.00 -0.02 0.00 0.00 54.58 51.71 2f76 n ASN 96 Cb 0.62 1.35 0.06 0.00 -2.36 0.00 0.00 39.78 39.44 2f76 n ASN 96 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 2f76 s PRO 97 N 0.68 2.79 0.08 -0.53 0.02 -1.26 -5.04 135.00 131.75 2f76 s PRO 97 Ca 0.28 2.10 0.06 0.00 0.02 0.00 0.00 61.00 63.46 2f76 s PRO 97 Cb 0.14 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 2f76 s PRO 97 CO -0.13 -1.42 -0.15 -0.65 -0.33 0.00 0.00 177.00 174.32 2f76 s GLN 98 N -3.21 0.89 0.11 5.54 -0.21 -1.26 -5.05 119.66 116.46 2f76 s GLN 98 Ca 0.78 -1.02 -0.18 0.00 0.02 0.00 0.00 55.36 54.96 2f76 s GLN 98 Cb -0.38 -0.90 -0.05 0.00 1.00 0.00 0.00 33.01 32.67 2f76 s GLN 98 CO 0.42 0.20 1.65 0.28 -2.12 0.00 0.00 175.29 175.71 2f76 h VAL 99 N 4.14 1.18 0.00 1.09 2.07 -2.06 -3.56 116.25 119.12 2f76 h VAL 99 Ca -0.41 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2f76 h VAL 99 Cb 1.19 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2f76 h VAL 99 CO 0.42 0.19 0.00 0.23 0.02 0.00 0.00 177.57 178.42