#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f76 n GLY 2 N 0.00 0.47 3.25 3.03 0.00 -1.26 -5.04 105.19 105.63 2f76 n GLY 2 Ca 0.00 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 2f76 n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f76 s GLN 3 N -1.67 3.17 0.19 1.61 -0.21 -1.26 -5.01 119.66 116.49 2f76 s GLN 3 Ca 0.00 -0.78 -0.08 0.00 0.02 0.00 0.00 55.36 54.52 2f76 s GLN 3 Cb 0.00 -2.55 0.10 0.00 1.00 0.00 0.00 33.01 31.56 2f76 s GLN 3 CO 0.00 0.04 1.69 1.49 -2.12 0.00 0.00 175.29 176.39 2f76 h GLU 4 N 7.19 1.12 -5.31 2.91 4.81 -2.10 -3.41 114.58 119.79 2f76 h GLU 4 Ca -0.30 -0.30 -0.66 0.00 -0.13 0.00 0.00 59.36 57.97 2f76 h GLU 4 Cb 1.20 -0.13 -0.28 0.00 0.63 0.00 0.00 28.75 30.17 2f76 h GLU 4 CO 0.55 1.02 -0.78 -1.17 -0.73 0.00 0.00 179.01 177.91 2f76 s LEU 5 N -9.46 2.64 0.11 1.64 2.96 -1.26 -5.04 118.68 110.27 2f76 s LEU 5 Ca -0.12 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2f76 s LEU 5 Cb 0.14 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 2f76 s LEU 5 CO 0.85 0.16 0.10 -0.94 -1.32 0.00 0.00 176.35 175.20 2f76 s SER 6 N 0.39 0.28 0.50 3.68 1.04 -1.26 -5.03 113.70 113.29 2f76 s SER 6 Ca -0.11 -0.99 0.15 0.00 0.48 0.00 0.00 55.95 55.48 2f76 s SER 6 Cb -0.16 0.30 1.18 0.00 0.10 0.00 0.00 66.02 67.44 2f76 s SER 6 CO 0.06 -0.72 2.11 1.56 0.98 0.00 0.00 173.24 177.22 2f76 h GLN 7 N 2.87 0.04 -0.46 4.02 4.20 -1.99 -1.70 115.11 122.09 2f76 h GLN 7 Ca -0.34 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.28 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 0.59 0.07 -0.05 0.45 -0.67 0.00 0.00 178.83 179.21 2f76 h HIS 8 N 0.04 0.93 -0.51 2.96 3.86 -1.99 -0.74 115.15 119.70 2f76 h HIS 8 Ca 0.01 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 58.95 2f76 h HIS 8 Cb 0.07 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 2f76 h HIS 8 CO 0.00 0.91 -0.04 0.93 0.86 0.00 0.00 177.93 180.60 2f76 h GLU 9 N 0.69 0.93 -0.38 2.45 5.08 -1.76 -2.75 114.58 118.83 2f76 h GLU 9 Ca 0.12 -0.31 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 2f76 h GLU 9 Cb 0.58 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2f76 h GLU 9 CO 0.03 0.97 -0.06 0.00 -1.00 0.00 0.00 179.01 178.95 2f76 h ARG 10 N 0.79 0.63 -0.20 2.33 3.08 -1.21 -2.57 114.38 117.22 2f76 h ARG 10 Ca 0.14 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.02 2f76 h ARG 10 Cb 0.57 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2f76 h ARG 10 CO 0.03 0.69 0.12 -0.92 -1.07 0.00 0.00 179.97 178.83 2f76 h TYR 11 N 0.59 0.23 -0.23 3.04 3.20 -0.86 -1.81 116.97 121.14 2f76 h TYR 11 Ca 0.11 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 2f76 h TYR 11 Cb 0.46 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2f76 h TYR 11 CO 0.02 0.14 -0.10 -0.24 -1.64 0.00 0.00 178.16 176.34 2f76 h VAL 12 N 0.25 1.20 -0.46 1.81 3.04 -1.37 -2.38 116.25 118.35 2f76 h VAL 12 Ca 0.08 -0.85 -0.07 0.00 -1.01 0.00 0.00 66.70 64.85 2f76 h VAL 12 Cb -0.01 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 2f76 h VAL 12 CO -0.03 0.27 0.01 -0.33 -1.01 0.00 0.00 177.57 176.48 2f76 h GLU 13 N 0.35 0.75 -0.56 4.17 5.08 -1.00 -2.04 114.58 121.32 2f76 h GLU 13 Ca 0.07 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2f76 h GLU 13 Cb 0.40 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2f76 h GLU 13 CO 0.02 0.76 0.09 1.96 -1.00 0.00 0.00 179.01 180.84 2f76 h GLN 14 N 0.71 0.93 -0.78 2.33 4.20 -0.82 -2.65 115.11 119.02 2f76 h GLN 14 Ca 0.14 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 2f76 h GLN 14 Cb 0.42 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2f76 h GLN 14 CO 0.02 0.89 0.33 -0.07 -0.67 0.00 0.00 178.83 179.33 2f76 h LEU 15 N 0.82 1.07 -0.43 1.46 3.38 -1.26 -2.16 115.31 118.18 2f76 h LEU 15 Ca 0.17 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2f76 h LEU 15 Cb 0.41 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2f76 h LEU 15 CO 0.01 0.94 0.21 0.50 0.09 0.00 0.00 178.44 180.18 2f76 h LYS 16 N 1.13 0.40 0.17 1.13 3.64 -1.09 0.57 116.57 122.53 2f76 h LYS 16 Ca 0.26 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2f76 h LYS 16 Cb 0.19 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2f76 h LYS 16 CO -0.02 0.27 -0.08 1.96 -2.27 0.00 0.00 179.45 179.30 2f76 h GLN 17 N 0.42 -0.23 -0.22 1.90 1.08 -1.18 0.30 115.11 117.17 2f76 h GLN 17 Ca 0.19 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 2f76 h GLN 17 Cb 0.11 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2f76 h GLN 17 CO -0.15 -0.03 0.10 0.00 -0.95 0.00 0.00 178.83 177.80 2f76 h ALA 18 N 0.41 0.29 -0.60 3.87 0.00 -1.21 -2.73 119.26 119.30 2f76 h ALA 18 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2f76 h ALA 18 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2f76 h ALA 18 CO 0.04 -0.13 0.23 -0.07 0.00 0.00 0.00 179.25 179.32 2f76 h LEU 19 N 0.22 0.80 -0.85 0.00 3.38 0.17 -2.43 115.31 116.58 2f76 h LEU 19 Ca 0.08 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.01 2f76 h LEU 19 Cb 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2f76 h LEU 19 CO -0.01 0.72 0.52 0.50 0.09 0.00 0.00 178.44 180.27 2f76 h LYS 20 N 0.86 0.91 0.00 1.13 3.64 -0.10 0.13 116.57 123.14 2f76 h LYS 20 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2f76 h LYS 20 Cb 0.18 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2f76 h LYS 20 CO -0.02 0.60 0.00 1.79 -2.27 0.00 0.00 179.45 179.56 2f76 h THR 21 N 0.94 0.00 -0.00 1.00 1.35 -1.18 -1.97 112.91 113.05 2f76 h THR 21 Ca 0.38 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2f76 h THR 21 Cb 0.21 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 2f76 h THR 21 CO -0.19 0.00 -0.24 0.54 -0.25 0.00 0.00 175.52 175.39 2f76 n ARG 22 N -2.94 0.12 0.00 4.72 1.74 0.39 -4.89 116.66 115.79 2f76 n ARG 22 Ca 0.00 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2f76 n ARG 22 Cb 0.25 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 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 1.62 3.73 -0.13 0.00 -0.74 -4.98 105.19 106.15 2f76 n GLY 23 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 5.15 -0.61 1.61 1.01 -0.82 -5.00 120.40 119.74 2f76 s VAL 24 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.13 2f76 s VAL 24 Cb 0.00 -3.30 0.21 0.00 0.00 0.00 0.00 36.38 33.29 2f76 s VAL 24 CO 0.00 0.50 0.60 0.29 0.00 0.00 0.00 175.10 176.49 2f76 n LYS 25 N 3.07 1.87 -4.48 2.72 5.02 -1.26 -4.05 118.16 121.05 2f76 n LYS 25 Ca -0.17 -4.31 -0.22 0.00 -2.02 0.00 0.00 58.31 51.59 2f76 n LYS 25 Cb 0.53 -2.10 -0.16 0.00 -0.02 0.00 0.00 35.03 33.29 2f76 n LYS 25 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2f76 s VAL 26 N -1.75 0.93 0.73 -0.18 1.01 -1.26 -5.09 120.40 114.79 2f76 s VAL 26 Ca 0.33 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 2f76 s VAL 26 Cb 0.07 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.67 2f76 s VAL 26 CO -0.10 0.29 1.16 -0.54 0.00 0.00 0.00 175.10 175.91 2f76 s LYS 27 N 0.24 2.25 0.20 2.72 1.02 -1.26 -4.93 119.74 119.98 2f76 s LYS 27 Ca -0.05 1.56 -0.08 0.00 0.02 0.00 0.00 55.97 57.42 2f76 s LYS 27 Cb -0.10 -1.87 0.13 0.00 -0.52 0.00 0.00 37.83 35.47 2f76 s LYS 27 CO 0.01 -1.71 1.74 0.10 -0.92 0.00 0.00 175.35 174.57 2f76 h TYR 28 N -0.42 1.20 -1.00 3.18 -0.00 -1.99 -2.72 116.97 115.21 2f76 h TYR 28 Ca -0.46 -0.12 0.10 0.00 -0.00 0.00 0.00 58.73 58.25 2f76 h TYR 28 Cb 1.27 -0.35 -0.08 0.00 -0.00 0.00 0.00 36.73 37.57 2f76 h TYR 28 CO 0.51 0.94 0.63 0.00 -0.00 0.00 0.00 178.16 180.24 2f76 h ALA 29 N 1.12 1.47 -0.02 0.10 0.00 -1.98 0.21 119.26 120.17 2f76 h ALA 29 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2f76 h ALA 29 Cb 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2f76 h ALA 29 CO -0.01 0.28 -0.01 -0.44 0.00 0.00 0.00 179.25 179.07 2f76 h ASP 30 N 1.04 -0.04 -0.62 0.00 3.32 -1.84 0.16 116.42 118.44 2f76 h ASP 30 Ca 0.48 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.44 2f76 h ASP 30 Cb 0.40 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2f76 h ASP 30 CO -0.24 -0.02 0.02 -0.07 -1.72 0.00 0.00 179.24 177.21 2f76 h LEU 31 N -0.02 1.06 -0.19 1.55 3.38 -1.35 0.10 115.31 119.84 2f76 h LEU 31 Ca 0.01 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2f76 h LEU 31 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2f76 h LEU 31 CO -0.03 1.10 0.10 0.25 0.09 0.00 0.00 178.44 179.95 2f76 h LEU 32 N 0.99 0.25 -0.51 1.67 5.85 -0.27 0.12 115.31 123.40 2f76 h LEU 32 Ca 0.18 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2f76 h LEU 32 Cb 0.54 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2f76 h LEU 32 CO 0.03 0.27 -0.03 0.11 -0.34 0.00 0.00 178.44 178.48 2f76 h LYS 33 N 0.20 0.92 -0.48 1.25 1.57 -0.58 -2.45 116.57 116.99 2f76 h LYS 33 Ca 0.07 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2f76 h LYS 33 Cb 0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2f76 h LYS 33 CO -0.01 0.96 0.28 0.35 -0.57 0.00 0.00 179.45 180.46 2f76 h PHE 34 N 0.78 0.64 -0.68 -1.35 3.57 -0.53 -0.92 116.94 118.46 2f76 h PHE 34 Ca 0.14 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.65 2f76 h PHE 34 Cb 0.57 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2f76 h PHE 34 CO 0.04 0.45 0.45 0.74 -2.23 0.00 0.00 178.31 177.76 2f76 h PHE 35 N 0.64 0.83 0.00 0.41 0.04 -0.66 0.94 116.94 119.14 2f76 h PHE 35 Ca 0.17 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.91 2f76 h PHE 35 Cb 0.01 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 2f76 h PHE 35 CO -0.03 0.51 -0.24 -0.44 -0.60 0.00 0.00 178.31 177.51 2f76 h ASP 36 N 0.88 0.00 0.41 2.17 3.32 -0.91 -2.49 116.42 119.81 2f76 h ASP 36 Ca 0.26 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2f76 h ASP 36 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2f76 h ASP 36 CO -0.06 0.24 -0.20 0.15 -1.72 0.00 0.00 179.24 177.65 2f76 h PHE 37 N 0.00 -0.52 -0.39 4.55 3.04 0.56 0.36 116.94 124.55 2f76 h PHE 37 Ca -0.00 -0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.79 2f76 h PHE 37 Cb 0.81 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.48 2f76 h PHE 37 CO 0.00 -0.23 -0.32 -0.24 -2.02 0.00 0.00 178.31 175.50 2f76 h VAL 38 N -0.74 1.27 -0.18 1.41 3.04 -1.57 -2.89 116.25 116.59 2f76 h VAL 38 Ca -0.06 -1.49 -0.07 0.00 -1.01 0.00 0.00 66.70 64.07 2f76 h VAL 38 Cb 0.52 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.10 2f76 h VAL 38 CO 0.09 0.50 -0.20 0.11 -1.01 0.00 0.00 177.57 177.06 2f76 h LYS 39 N 0.74 0.32 -0.35 4.17 1.79 -1.43 2.20 116.57 124.00 2f76 h LYS 39 Ca 0.08 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2f76 h LYS 39 Cb 0.89 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.50 2f76 h LYS 39 CO 0.08 0.52 0.19 -0.44 -1.08 0.00 0.00 179.45 178.71 2f76 h ASP 40 N 0.29 0.45 0.20 0.86 3.32 -0.06 -3.10 116.42 118.38 2f76 h ASP 40 Ca 0.05 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2f76 h ASP 40 Cb 0.53 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2f76 h ASP 40 CO 0.04 0.42 -1.53 0.35 -1.72 0.00 0.00 179.24 176.79 2f76 n THR 41 N -4.76 0.11 -4.14 0.35 -2.24 -1.12 -4.99 114.28 97.49 2f76 n THR 41 Ca -0.01 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 2f76 n THR 41 Cb 0.09 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.28 0.00 -3.86 0.00 0.11 -1.92 -3.49 132.00 120.55 2f76 h PRO 43 Ca -0.68 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.43 2f76 h PRO 43 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2f76 h PRO 43 CO 0.55 0.39 -0.54 0.91 -0.21 0.00 0.00 178.00 179.10 2f76 n TRP 44 N -3.74 -2.83 -2.82 0.65 8.01 -1.26 -4.91 117.44 110.54 2f76 n TRP 44 Ca -0.01 1.70 -0.28 0.00 -1.31 0.00 0.00 57.50 57.61 2f76 n TRP 44 Cb 0.47 -2.31 -0.03 0.00 -2.01 0.00 0.00 31.31 27.43 2f76 n TRP 44 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2f76 n PHE 45 N 1.78 3.87 -0.84 -5.99 3.72 -1.26 -5.08 117.46 113.66 2f76 n PHE 45 Ca 0.00 -3.74 -0.31 0.00 -0.05 0.00 0.00 57.45 53.35 2f76 n PHE 45 Cb 0.00 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.06 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2f76 n PRO 46 N -0.29 0.00 -3.68 -1.08 -0.02 -1.26 -4.68 135.00 123.99 2f76 n PRO 46 Ca 0.34 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.67 2f76 n PRO 46 Cb 0.44 -0.74 -0.08 0.00 -0.02 0.00 0.00 33.50 33.10 2f76 n PRO 46 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2f76 s GLN 47 N -0.25 0.77 -0.00 -0.52 2.00 -1.26 -5.07 119.66 115.33 2f76 s GLN 47 Ca 0.46 0.05 -0.01 0.00 -2.00 0.00 0.00 55.36 53.86 2f76 s GLN 47 Cb -0.64 0.35 -0.00 0.00 0.80 0.00 0.00 33.01 33.51 2f76 s GLN 47 CO 0.33 -0.21 0.02 -1.21 -0.50 0.00 0.00 175.29 173.72 2f76 s GLU 48 N -1.07 0.13 0.00 1.67 2.02 -1.26 -4.81 118.70 115.37 2f76 s GLU 48 Ca -0.11 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 54.73 2f76 s GLU 48 Cb -0.03 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2f76 s GLU 48 CO 0.05 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.72 2f76 n GLY 49 N 2.60 2.04 3.35 -1.39 0.00 -1.26 -5.03 105.19 105.51 2f76 n GLY 49 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.39 1.23 -0.21 2.61 -4.23 -1.26 -5.08 115.64 106.31 2f76 s THR 50 Ca 0.00 -2.07 -0.43 0.00 -1.18 0.00 0.00 61.69 58.02 2f76 s THR 50 Cb 0.00 -2.32 -0.20 0.00 1.34 0.00 0.00 72.50 71.33 2f76 s THR 50 CO 0.00 -0.37 1.33 -0.38 -0.54 0.00 0.00 174.62 174.66 2f76 n ILE 51 N -0.44 0.02 -0.26 2.99 5.41 -1.26 -4.82 119.36 121.00 2f76 n ILE 51 Ca -0.06 -0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.63 2f76 n ILE 51 Cb 0.63 -0.31 0.05 0.00 -0.71 0.00 0.00 39.64 39.31 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 4.10 0.96 -0.06 4.38 1.82 -1.98 -1.71 116.42 123.93 2f76 h ASP 52 Ca -0.48 -0.15 0.02 0.00 -0.39 0.00 0.00 57.03 56.03 2f76 h ASP 52 Cb 1.39 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 41.15 2f76 h ASP 52 CO 0.80 0.85 0.06 0.40 -1.61 0.00 0.00 179.24 179.74 2f76 h ILE 53 N 1.02 0.53 -1.12 2.25 2.04 -1.99 -2.07 117.51 118.17 2f76 h ILE 53 Ca 0.24 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.42 2f76 h ILE 53 Cb 0.16 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 2f76 h ILE 53 CO -0.03 0.00 0.79 0.50 0.00 0.00 0.00 178.15 179.41 2f76 h LYS 54 N 0.00 0.09 -0.44 2.37 3.64 -1.65 0.48 116.57 121.06 2f76 h LYS 54 Ca 0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2f76 h LYS 54 Cb 0.15 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2f76 h LYS 54 CO -0.00 0.06 0.20 0.00 -2.27 0.00 0.00 179.45 177.43 2f76 h ARG 55 N 0.09 0.64 -0.06 1.90 3.08 -1.54 0.14 114.38 118.62 2f76 h ARG 55 Ca 0.56 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.50 2f76 h ARG 55 Cb 2.03 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.96 2f76 h ARG 55 CO -0.08 0.56 0.00 2.35 -1.07 0.00 0.00 179.97 181.74 2f76 h TRP 56 N 0.56 0.11 -0.36 3.04 7.01 -0.27 -2.90 115.95 123.15 2f76 h TRP 56 Ca 0.15 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.13 2f76 h TRP 56 Cb 0.15 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 2f76 h TRP 56 CO -0.01 0.38 0.22 0.00 -2.79 0.00 0.00 178.44 176.25 2f76 h ARG 57 N -0.19 0.47 -0.37 2.65 2.47 -1.27 -2.26 114.38 115.89 2f76 h ARG 57 Ca 0.02 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.73 2f76 h ARG 57 Cb 0.33 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 2f76 h ARG 57 CO 0.00 0.32 0.19 0.00 0.56 0.00 0.00 179.97 181.05 2f76 h ARG 58 N 0.48 0.38 -0.49 0.04 3.08 -0.53 0.29 114.38 117.64 2f76 h ARG 58 Ca 0.13 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2f76 h ARG 58 Cb -0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2f76 h ARG 58 CO -0.03 0.25 0.27 0.28 -1.07 0.00 0.00 179.97 179.67 2f76 h VAL 59 N 0.39 1.17 0.00 2.04 2.07 -1.28 0.40 116.25 121.04 2f76 h VAL 59 Ca 0.16 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2f76 h VAL 59 Cb 0.06 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2f76 h VAL 59 CO -0.10 0.18 -0.00 1.23 0.02 0.00 0.00 177.57 178.90 2f76 h GLY 60 N 0.65 -0.00 1.01 2.17 0.00 -1.16 -0.41 103.07 105.33 2f76 h GLY 60 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2f76 h GLY 60 CO -0.03 -0.00 0.48 -1.80 0.00 0.00 0.00 176.54 175.19 2f76 h ASP 61 N -0.25 0.97 0.68 0.19 1.82 -0.34 0.57 116.42 120.06 2f76 h ASP 61 Ca -0.00 -0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.54 2f76 h ASP 61 Cb 0.25 -0.24 0.01 0.00 0.68 0.00 0.00 39.33 40.02 2f76 h ASP 61 CO 0.00 0.75 -0.33 0.00 -1.61 0.00 0.00 179.24 178.05 2f76 h PHE 63 N -1.24 0.89 -0.97 0.00 0.04 -1.06 -2.46 116.94 112.15 2f76 h PHE 63 Ca -0.09 -0.01 0.14 0.00 2.80 0.00 0.00 57.97 60.80 2f76 h PHE 63 Cb 0.70 -0.29 -0.09 0.00 2.20 0.00 0.00 35.95 38.47 2f76 h PHE 63 CO 0.00 0.62 0.59 0.37 -0.60 0.00 0.00 178.31 179.29 2f76 h GLN 64 N 0.91 0.85 -0.17 1.51 -0.00 0.11 0.69 115.11 119.00 2f76 h GLN 64 Ca 0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.84 2f76 h GLN 64 Cb -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.28 2f76 h GLN 64 CO -0.04 0.56 0.11 -0.44 0.00 0.00 0.00 178.83 179.02 2f76 h ASP 65 N 0.87 0.20 -0.10 -0.69 3.32 -0.95 0.46 116.42 119.53 2f76 h ASP 65 Ca 0.50 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.35 2f76 h ASP 65 Cb 0.60 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.11 2f76 h ASP 65 CO -0.30 0.16 -0.66 1.88 -1.72 0.00 0.00 179.24 178.60 2f76 h TYR 66 N 0.22 0.86 -0.72 4.55 0.05 -1.22 -2.81 116.97 117.90 2f76 h TYR 66 Ca 0.06 -0.39 -0.05 0.00 0.05 0.00 0.00 58.73 58.40 2f76 h TYR 66 Cb -0.01 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 2f76 h TYR 66 CO -0.06 1.20 0.28 1.88 -1.05 0.00 0.00 178.16 180.40 2f76 h TYR 67 N 0.27 1.11 -0.42 4.88 -1.99 0.44 0.17 116.97 121.43 2f76 h TYR 67 Ca -0.05 -0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.56 2f76 h TYR 67 Cb 1.30 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.68 2f76 h TYR 67 CO 0.11 0.86 0.14 -0.91 -0.00 0.00 0.00 178.16 178.36 2f76 h ASN 68 N 1.04 0.60 -0.42 3.88 -0.26 -0.07 0.29 115.58 120.64 2f76 h ASN 68 Ca 0.24 -0.19 -0.10 0.00 -0.56 0.00 0.00 56.30 55.68 2f76 h ASN 68 Cb 0.23 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 2f76 h ASN 68 CO -0.02 0.64 -0.14 0.71 -1.06 0.00 0.00 177.43 177.56 2f76 h THR 69 N 0.54 1.28 -0.57 2.81 1.35 -1.28 -3.05 112.91 113.98 2f76 h THR 69 Ca 0.14 -1.27 -0.03 0.00 -0.55 0.00 0.00 66.41 64.70 2f76 h THR 69 Cb 0.24 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 67.84 2f76 h THR 69 CO -0.01 0.43 0.23 -0.26 -0.25 0.00 0.00 175.52 175.66 2f76 h PHE 70 N 0.66 0.87 0.00 4.73 -1.00 -0.45 -3.48 116.94 118.27 2f76 h PHE 70 Ca 0.10 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.82 2f76 h PHE 70 Cb 0.69 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 39.99 2f76 h PHE 70 CO 0.05 0.70 0.00 0.41 -1.61 0.00 0.00 178.31 177.86 2f76 n GLY 71 N -0.82 2.66 3.48 -1.45 0.00 0.90 -5.08 105.19 104.88 2f76 n GLY 71 Ca 0.03 -0.34 -0.45 0.00 0.00 0.00 0.00 46.02 45.26 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 0.80 -0.10 1.61 -0.02 -0.50 -4.76 135.00 132.03 2f76 n PRO 72 Ca 0.00 0.14 0.11 0.00 -2.02 0.00 0.00 63.50 61.73 2f76 n PRO 72 Cb 0.00 -2.49 0.34 0.00 -0.02 0.00 0.00 33.50 31.33 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 8.48 1.88 -0.28 -0.52 0.28 -1.26 -3.31 120.64 125.91 2f76 n GLU 73 Ca 0.46 -1.33 0.24 0.00 -0.16 0.00 0.00 57.16 56.37 2f76 n GLU 73 Cb 0.26 -1.42 0.44 0.00 1.43 0.00 0.00 31.44 32.16 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 0.56 -0.06 -3.92 3.44 4.81 -1.26 -2.21 118.16 119.51 2f76 n LYS 74 Ca 0.17 1.20 -0.30 0.00 -0.87 0.00 0.00 58.31 58.51 2f76 n LYS 74 Cb 0.38 -2.10 -0.13 0.00 0.02 0.00 0.00 35.03 33.21 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 -5.42 2.75 0.66 3.15 -7.23 -1.26 -4.64 120.40 108.40 2f76 s VAL 75 Ca -0.09 -3.67 -0.18 0.00 -1.81 0.00 0.00 61.98 56.23 2f76 s VAL 75 Cb 0.28 -2.86 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 2f76 s VAL 75 CO 0.67 -0.88 1.28 -2.84 -0.31 0.00 0.00 175.10 173.02 2f76 s PRO 76 N -0.73 2.50 0.46 4.82 0.02 -0.94 -4.59 135.00 136.54 2f76 s PRO 76 Ca 0.20 2.03 0.19 0.00 0.02 0.00 0.00 61.00 63.44 2f76 s PRO 76 Cb -0.18 -1.84 1.10 0.00 0.02 0.00 0.00 34.50 33.60 2f76 s PRO 76 CO -0.06 -1.63 1.98 -0.24 -0.33 0.00 0.00 177.00 176.72 2f76 h VAL 77 N 0.44 0.94 0.00 3.83 3.04 -1.92 -2.67 116.25 119.92 2f76 h VAL 77 Ca -0.51 -0.75 0.00 0.00 -1.01 0.00 0.00 66.70 64.43 2f76 h VAL 77 Cb 1.33 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 2f76 h VAL 77 CO 0.53 0.20 0.54 0.71 -1.01 0.00 0.00 177.57 178.54 2f76 h THR 78 N 0.00 0.00 -0.42 3.17 1.35 -2.01 0.60 112.91 115.60 2f76 h THR 78 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 2f76 h THR 78 Cb 0.42 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 2f76 h THR 78 CO 0.03 0.00 0.07 0.00 -0.25 0.00 0.00 175.52 175.37 2f76 h ALA 79 N 0.66 1.33 -0.31 6.62 0.00 -1.85 -2.82 119.26 122.90 2f76 h ALA 79 Ca 0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2f76 h ALA 79 Cb 1.08 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2f76 h ALA 79 CO 0.00 0.47 0.03 0.35 0.00 0.00 0.00 179.25 180.10 2f76 h PHE 80 N 0.62 0.05 -0.57 0.00 3.04 -0.04 0.82 116.94 120.86 2f76 h PHE 80 Ca 0.14 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.11 2f76 h PHE 80 Cb 0.29 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 2f76 h PHE 80 CO 0.01 -0.01 0.36 1.03 -2.02 0.00 0.00 178.31 177.68 2f76 h SER 81 N 0.14 0.68 -0.50 0.41 0.87 -1.67 -1.88 113.55 111.60 2f76 h SER 81 Ca 0.15 -0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2f76 h SER 81 Cb 0.18 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 2f76 h SER 81 CO -0.22 0.52 0.27 0.22 -0.53 0.00 0.00 176.83 177.10 2f76 h TYR 82 N 0.77 0.51 -0.15 2.24 3.20 -1.19 -0.23 116.97 122.13 2f76 h TYR 82 Ca 0.21 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.13 2f76 h TYR 82 Cb -0.04 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2f76 h TYR 82 CO -0.03 0.27 0.10 2.35 -1.64 0.00 0.00 178.16 179.22 2f76 h TRP 83 N 0.54 0.05 -0.95 -3.82 7.01 -0.28 -0.92 115.95 117.58 2f76 h TRP 83 Ca 0.21 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.24 2f76 h TRP 83 Cb 0.07 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.06 2f76 h TRP 83 CO -0.08 0.03 0.62 -0.97 -2.79 0.00 0.00 178.44 175.25 2f76 h ASN 84 N 0.05 1.04 -0.84 2.65 -0.73 -0.25 -0.82 115.58 116.67 2f76 h ASN 84 Ca 0.07 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 2f76 h ASN 84 Cb 0.20 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.52 2f76 h ASN 84 CO -0.01 0.72 0.47 -0.07 -0.37 0.00 0.00 177.43 178.17 2f76 h LEU 85 N 1.21 1.05 -0.49 0.34 -0.00 -1.06 -2.26 115.31 114.09 2f76 h LEU 85 Ca 0.38 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 58.15 2f76 h LEU 85 Cb -0.01 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.36 2f76 h LEU 85 CO -0.12 0.84 0.24 0.40 -0.00 0.00 0.00 178.44 179.80 2f76 h ILE 86 N 1.18 1.19 -0.84 1.22 2.04 -1.11 -2.38 117.51 118.82 2f76 h ILE 86 Ca 0.30 -0.54 0.20 0.00 1.00 0.00 0.00 64.86 65.82 2f76 h ILE 86 Cb 0.02 0.64 -0.12 0.00 -0.74 0.00 0.00 36.82 36.62 2f76 h ILE 86 CO -0.05 0.21 0.30 0.11 0.00 0.00 0.00 178.15 178.72 2f76 h LYS 87 N 0.65 0.32 0.00 2.37 1.57 -0.71 1.35 116.57 122.13 2f76 h LYS 87 Ca 0.17 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2f76 h LYS 87 Cb 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2f76 h LYS 87 CO -0.02 0.21 -0.21 0.93 -0.57 0.00 0.00 179.45 179.79 2f76 h GLU 88 N 0.33 0.00 0.01 3.15 5.08 -1.26 -0.69 114.58 121.21 2f76 h GLU 88 Ca 0.51 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.87 2f76 h GLU 88 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2f76 h GLU 88 CO -0.54 0.21 -0.01 1.25 -1.00 0.00 0.00 179.01 178.92 2f76 h LEU 89 N 0.00 -0.01 -0.21 1.33 5.85 0.21 -3.00 115.31 119.47 2f76 h LEU 89 Ca -0.00 -0.76 -0.07 0.00 0.84 0.00 0.00 57.88 57.88 2f76 h LEU 89 Cb 0.46 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2f76 h LEU 89 CO 0.03 0.78 -0.15 0.40 -0.34 0.00 0.00 178.44 179.16 2f76 h ILE 90 N -0.84 1.32 -0.60 4.05 2.04 -0.81 -1.66 117.51 121.01 2f76 h ILE 90 Ca -0.00 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.62 2f76 h ILE 90 Cb 0.78 1.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 2f76 h ILE 90 CO 0.00 0.39 0.37 -2.24 0.00 0.00 0.00 178.15 176.67 2f76 h ASP 91 N 0.17 0.60 -0.37 1.72 2.03 -1.28 -2.54 116.42 116.75 2f76 h ASP 91 Ca 0.04 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.30 2f76 h ASP 91 Cb 0.67 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.03 2f76 h ASP 91 CO 0.04 0.42 0.05 0.11 -1.03 0.00 0.00 179.24 178.83 2f76 h LYS 92 N 0.72 0.61 -4.43 4.15 1.57 -1.52 -3.44 116.57 114.24 2f76 h LYS 92 Ca 0.24 -0.17 -0.35 0.00 -1.87 0.00 0.00 60.65 58.50 2f76 h LYS 92 Cb 0.01 -0.07 -0.29 0.00 0.08 0.00 0.00 32.23 31.97 2f76 h LYS 92 CO -0.10 0.68 -0.76 0.15 -0.57 0.00 0.00 179.45 178.85 2f76 s LYS 93 N -5.16 0.54 0.00 3.15 1.02 -0.63 -5.01 119.74 113.65 2f76 s LYS 93 Ca -0.13 -0.23 0.29 0.00 0.02 0.00 0.00 55.97 55.92 2f76 s LYS 93 Cb 0.09 -0.53 1.19 0.00 -0.52 0.00 0.00 37.83 38.07 2f76 s LYS 93 CO 0.77 0.13 1.83 0.39 -0.92 0.00 0.00 175.35 177.55 2f76 n GLU 94 N 2.98 0.76 -4.25 1.68 1.02 -1.23 -3.93 120.64 117.67 2f76 n GLU 94 Ca -0.14 -0.29 -0.14 0.00 -0.02 0.00 0.00 57.16 56.57 2f76 n GLU 94 Cb 0.57 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.40 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 -2.44 1.07 -0.43 2.62 -7.23 -1.26 -5.08 120.40 107.64 2f76 s VAL 95 Ca 0.29 -2.04 0.06 0.00 -1.81 0.00 0.00 61.98 58.48 2f76 s VAL 95 Cb 0.20 -1.93 0.21 0.00 0.56 0.00 0.00 36.38 35.42 2f76 s VAL 95 CO 0.47 -0.68 0.44 0.59 -0.31 0.00 0.00 175.10 175.62 2f76 n ASN 96 N -0.22 0.20 -4.77 4.85 3.02 -1.26 -5.00 115.26 112.08 2f76 n ASN 96 Ca -0.09 -2.60 -0.40 0.00 -0.03 0.00 0.00 54.58 51.45 2f76 n ASN 96 Cb 0.61 -0.60 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 2f76 n ASN 96 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2f76 s PRO 97 N -0.66 3.71 0.16 3.52 0.02 -1.26 -4.93 135.00 135.57 2f76 s PRO 97 Ca 0.34 2.41 -0.12 0.00 0.02 0.00 0.00 61.00 63.65 2f76 s PRO 97 Cb 0.09 -2.67 0.03 0.00 0.02 0.00 0.00 34.50 31.98 2f76 s PRO 97 CO -0.15 -0.79 1.63 0.37 -0.33 0.00 0.00 177.00 177.72 2f76 h GLN 98 N 2.37 0.90 -0.54 5.54 5.75 -2.07 -2.98 115.11 124.08 2f76 h GLN 98 Ca -0.51 -0.26 -0.06 0.00 -0.15 0.00 0.00 58.65 57.67 2f76 h GLN 98 Cb 1.26 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.70 2f76 h GLN 98 CO 0.61 0.90 0.09 -0.39 -2.65 0.00 0.00 178.83 177.39 2f76 h VAL 99 N 0.78 1.25 0.00 2.39 -1.51 -2.06 -3.54 116.25 113.55 2f76 h VAL 99 Ca 0.16 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 2f76 h VAL 99 Cb 0.46 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 2f76 h VAL 99 CO 0.02 0.34 0.00 0.80 -1.23 0.00 0.00 177.57 177.50