#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 1.30 -4.16 -5.12 0.00 -2.14 -3.42 103.07 89.53 2f76 h GLY 2 Ca 0.00 -0.47 -0.64 0.00 0.00 0.00 0.00 47.33 46.22 2f76 h GLY 2 CO 0.00 0.44 -0.86 1.20 0.00 0.00 0.00 176.54 177.32 2f76 s GLN 3 N -6.11 1.41 -0.22 4.80 -0.21 -1.26 -5.13 119.66 112.95 2f76 s GLN 3 Ca -0.13 -1.19 -0.05 0.00 0.02 0.00 0.00 55.36 54.01 2f76 s GLN 3 Cb 0.17 -1.72 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 2f76 s GLN 3 CO 0.80 0.42 0.01 -2.00 -2.12 0.00 0.00 175.29 172.40 2f76 s GLU 4 N -1.71 3.58 -0.11 2.91 2.12 -1.26 -5.09 118.70 119.13 2f76 s GLU 4 Ca 0.11 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.91 2f76 s GLU 4 Cb -0.10 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 2f76 s GLU 4 CO 0.04 -0.08 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.39 2f76 s LEU 5 N 1.24 2.76 0.13 2.70 2.96 -1.26 -5.06 118.68 122.15 2f76 s LEU 5 Ca 0.04 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 2f76 s LEU 5 Cb -0.15 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 2f76 s LEU 5 CO 0.01 0.21 0.20 -0.94 -1.32 0.00 0.00 176.35 174.51 2f76 s SER 6 N 0.09 0.13 0.28 3.68 1.04 -1.26 -5.05 113.70 112.62 2f76 s SER 6 Ca -0.05 -0.88 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 2f76 s SER 6 Cb -0.15 0.37 0.40 0.00 0.10 0.00 0.00 66.02 66.75 2f76 s SER 6 CO 0.04 -0.81 1.87 1.56 0.98 0.00 0.00 173.24 176.89 2f76 h GLN 7 N 2.68 0.94 -0.86 4.02 4.20 -1.99 -2.07 115.11 122.04 2f76 h GLN 7 Ca -0.33 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 2f76 h GLN 7 Cb 1.21 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.78 2f76 h GLN 7 CO 0.53 0.75 0.49 0.45 -0.67 0.00 0.00 178.83 180.39 2f76 h HIS 8 N 0.93 1.15 0.09 2.96 3.86 -1.99 0.15 115.15 122.31 2f76 h HIS 8 Ca 0.22 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2f76 h HIS 8 Cb 0.14 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.24 2f76 h HIS 8 CO 0.01 0.79 -0.04 0.93 0.86 0.00 0.00 177.93 180.47 2f76 h GLU 9 N 1.19 -0.12 -0.23 2.45 5.08 -1.86 -2.81 114.58 118.28 2f76 h GLU 9 Ca 0.30 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2f76 h GLU 9 Cb -0.01 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2f76 h GLU 9 CO -0.05 0.18 0.09 0.00 -1.00 0.00 0.00 179.01 178.23 2f76 h ARG 10 N -0.43 0.31 -0.28 2.33 3.08 -1.22 -2.36 114.38 115.81 2f76 h ARG 10 Ca -0.01 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2f76 h ARG 10 Cb 0.36 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2f76 h ARG 10 CO 0.02 0.26 0.15 -0.92 -1.07 0.00 0.00 179.97 178.41 2f76 h TYR 11 N 0.31 0.28 -0.25 3.04 3.20 -0.52 -2.42 116.97 120.61 2f76 h TYR 11 Ca 0.08 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2f76 h TYR 11 Cb 0.06 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2f76 h TYR 11 CO 0.00 0.16 0.13 0.28 -1.64 0.00 0.00 178.16 177.09 2f76 h VAL 12 N 0.31 1.14 -0.99 1.81 2.07 -1.19 -2.50 116.25 116.90 2f76 h VAL 12 Ca 0.11 -0.39 0.26 0.00 0.82 0.00 0.00 66.70 67.50 2f76 h VAL 12 Cb 0.02 0.93 -0.13 0.00 -1.52 0.00 0.00 31.29 30.59 2f76 h VAL 12 CO -0.07 0.14 0.57 -0.33 0.02 0.00 0.00 177.57 177.90 2f76 h GLU 13 N 0.28 0.49 -0.21 1.57 5.08 -1.11 0.43 114.58 121.11 2f76 h GLU 13 Ca 0.09 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2f76 h GLU 13 Cb 0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2f76 h GLU 13 CO -0.01 0.33 0.03 1.96 -1.00 0.00 0.00 179.01 180.31 2f76 h GLN 14 N 0.51 0.36 -0.81 2.33 4.20 -1.00 -2.51 115.11 118.19 2f76 h GLN 14 Ca 0.65 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 59.23 2f76 h GLN 14 Cb 1.30 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 2f76 h GLN 14 CO -0.51 0.52 0.36 -0.07 -0.67 0.00 0.00 178.83 178.46 2f76 h LEU 15 N 0.15 1.08 -0.57 1.46 3.38 -0.39 -2.31 115.31 118.10 2f76 h LEU 15 Ca 0.06 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2f76 h LEU 15 Cb 0.34 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2f76 h LEU 15 CO 0.01 0.93 0.33 0.50 0.09 0.00 0.00 178.44 180.29 2f76 h LYS 16 N 1.16 0.62 0.23 1.13 3.64 -0.13 0.46 116.57 123.68 2f76 h LYS 16 Ca 0.27 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2f76 h LYS 16 Cb 0.16 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2f76 h LYS 16 CO -0.03 0.41 -0.11 1.96 -2.27 0.00 0.00 179.45 179.41 2f76 h GLN 17 N 0.63 -0.30 -0.36 1.90 4.20 -1.15 0.27 115.11 120.31 2f76 h GLN 17 Ca 0.24 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 2f76 h GLN 17 Cb 0.08 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2f76 h GLN 17 CO -0.13 -0.01 0.18 0.00 -0.67 0.00 0.00 178.83 178.20 2f76 h ALA 18 N 0.12 0.47 -0.76 3.87 0.00 -1.29 -2.79 119.26 118.87 2f76 h ALA 18 Ca -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2f76 h ALA 18 Cb 0.42 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2f76 h ALA 18 CO 0.05 0.03 0.27 -0.07 0.00 0.00 0.00 179.25 179.53 2f76 h LEU 19 N 0.45 1.08 -1.40 0.00 3.38 -0.10 -2.58 115.31 116.15 2f76 h LEU 19 Ca 0.13 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2f76 h LEU 19 Cb 0.11 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2f76 h LEU 19 CO -0.02 0.98 0.46 0.50 0.09 0.00 0.00 178.44 180.46 2f76 h LYS 20 N 1.13 0.71 0.00 1.13 3.64 -0.71 0.18 116.57 122.66 2f76 h LYS 20 Ca 0.25 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2f76 h LYS 20 Cb 0.26 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2f76 h LYS 20 CO -0.01 0.47 0.00 0.25 -2.27 0.00 0.00 179.45 177.89 2f76 n THR 21 N -4.48 0.74 1.04 1.00 -2.24 -0.98 -2.28 114.28 107.07 2f76 n THR 21 Ca 0.10 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 2f76 n THR 21 Cb 0.22 -0.94 0.19 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.02 0.18 0.00 -0.78 1.74 0.59 -4.92 116.66 111.45 2f76 n ARG 22 Ca 0.04 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2f76 n ARG 22 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.47 1.60 3.49 -0.13 0.00 -0.97 -4.98 105.19 105.67 2f76 n GLY 23 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 5.21 -0.94 1.61 1.01 -0.87 -5.00 120.40 119.42 2f76 s VAL 24 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2f76 s VAL 24 Cb 0.00 -3.90 0.27 0.00 0.00 0.00 0.00 36.38 32.75 2f76 s VAL 24 CO 0.00 -0.24 1.07 1.17 0.00 0.00 0.00 175.10 177.10 2f76 n LYS 25 N 5.29 3.39 -4.44 2.72 4.81 -1.26 -3.93 118.16 124.74 2f76 n LYS 25 Ca -0.10 -4.54 -0.21 0.00 -0.87 0.00 0.00 58.31 52.58 2f76 n LYS 25 Cb 0.48 -2.44 -0.16 0.00 0.02 0.00 0.00 35.03 32.94 2f76 n LYS 25 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2f76 s VAL 26 N -2.09 0.86 0.58 3.15 1.01 -1.26 -5.13 120.40 117.52 2f76 s VAL 26 Ca 0.32 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 2f76 s VAL 26 Cb 0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 2f76 s VAL 26 CO -0.02 0.26 1.15 0.29 0.00 0.00 0.00 175.10 176.78 2f76 n LYS 27 N 3.27 1.22 -0.14 2.72 5.02 -1.26 -4.91 118.16 124.09 2f76 n LYS 27 Ca -0.18 0.46 -0.08 0.00 -2.02 0.00 0.00 58.31 56.49 2f76 n LYS 27 Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 2f76 n LYS 27 CO 0.00 0.00 0.00 0.10 -0.52 0.00 0.00 177.40 176.98 2f76 h TYR 28 N 0.88 0.57 -0.77 2.13 -0.00 -1.99 -2.36 116.97 115.43 2f76 h TYR 28 Ca -0.49 -0.01 0.14 0.00 0.00 0.00 0.00 58.73 58.36 2f76 h TYR 28 Cb 1.34 -0.18 -0.05 0.00 0.00 0.00 0.00 36.73 37.83 2f76 h TYR 28 CO 0.41 0.43 0.51 0.00 -0.00 0.00 0.00 178.16 179.51 2f76 h ALA 29 N 1.09 2.00 -0.27 0.10 0.00 -1.99 -1.18 119.26 119.01 2f76 h ALA 29 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2f76 h ALA 29 Cb 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2f76 h ALA 29 CO -0.02 -0.20 0.00 0.22 0.00 0.00 0.00 179.25 179.25 2f76 h ASP 30 N 0.52 -0.10 -0.59 0.00 3.58 -1.78 0.16 116.42 118.20 2f76 h ASP 30 Ca 0.38 0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.81 2f76 h ASP 30 Cb 0.74 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 2f76 h ASP 30 CO -0.14 -0.02 0.08 -0.07 -2.88 0.00 0.00 179.24 176.21 2f76 h LEU 31 N 0.08 0.97 -0.59 2.28 3.38 -1.27 -1.67 115.31 118.50 2f76 h LEU 31 Ca 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2f76 h LEU 31 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2f76 h LEU 31 CO -0.21 0.98 0.36 0.25 0.09 0.00 0.00 178.44 179.91 2f76 h LEU 32 N 0.95 0.70 -0.59 1.67 5.85 -0.53 -1.44 115.31 121.92 2f76 h LEU 32 Ca 0.19 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2f76 h LEU 32 Cb 0.44 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2f76 h LEU 32 CO 0.01 0.54 0.16 0.11 -0.34 0.00 0.00 178.44 178.93 2f76 h LYS 33 N 0.79 0.94 -0.17 1.25 1.57 -0.46 -1.61 116.57 118.88 2f76 h LYS 33 Ca 0.21 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2f76 h LYS 33 Cb -0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2f76 h LYS 33 CO -0.04 0.85 0.03 0.35 -0.57 0.00 0.00 179.45 180.07 2f76 h PHE 34 N 0.85 0.05 -0.25 -1.35 3.04 -0.81 -0.94 116.94 117.52 2f76 h PHE 34 Ca 0.19 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 2f76 h PHE 34 Cb 0.32 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 2f76 h PHE 34 CO 0.02 0.01 0.00 0.74 -2.02 0.00 0.00 178.31 177.06 2f76 h PHE 35 N 0.10 0.38 -0.29 0.41 0.04 -1.14 -1.97 116.94 114.48 2f76 h PHE 35 Ca 0.08 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 2f76 h PHE 35 Cb 0.07 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 2f76 h PHE 35 CO -0.14 0.39 -0.19 -0.44 -0.60 0.00 0.00 178.31 177.33 2f76 h ASP 36 N 0.37 0.52 0.29 2.17 3.32 -0.36 -0.30 116.42 122.43 2f76 h ASP 36 Ca 0.08 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2f76 h ASP 36 Cb 0.25 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2f76 h ASP 36 CO 0.01 0.72 -0.14 0.15 -1.72 0.00 0.00 179.24 178.26 2f76 h PHE 37 N 0.47 -0.36 -0.41 4.55 3.04 -0.42 0.34 116.94 124.15 2f76 h PHE 37 Ca 0.08 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.94 2f76 h PHE 37 Cb 0.60 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 2f76 h PHE 37 CO 0.02 -0.07 -0.07 -0.24 -2.02 0.00 0.00 178.31 175.93 2f76 h VAL 38 N -0.64 1.24 -0.54 1.41 3.04 -1.50 -2.59 116.25 116.67 2f76 h VAL 38 Ca -0.04 -1.06 -0.07 0.00 -1.01 0.00 0.00 66.70 64.52 2f76 h VAL 38 Cb 0.46 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.72 2f76 h VAL 38 CO 0.07 0.36 0.06 0.11 -1.01 0.00 0.00 177.57 177.16 2f76 h LYS 39 N 0.65 0.87 -0.15 4.17 1.57 -0.99 3.32 116.57 126.01 2f76 h LYS 39 Ca 0.12 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2f76 h LYS 39 Cb 0.51 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2f76 h LYS 39 CO 0.03 0.83 -0.00 -0.44 -0.57 0.00 0.00 179.45 179.30 2f76 h ASP 40 N 0.82 -0.06 0.00 0.86 3.32 -0.53 -3.34 116.42 117.50 2f76 h ASP 40 Ca 0.17 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 2f76 h ASP 40 Cb 0.40 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2f76 h ASP 40 CO 0.01 -0.01 -1.24 0.41 -1.72 0.00 0.00 179.24 176.69 2f76 n THR 41 N -5.12 1.49 -3.80 0.35 -1.04 -1.13 -5.01 114.28 100.01 2f76 n THR 41 Ca -0.04 0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.65 2f76 n THR 41 Cb 0.09 -2.21 0.03 0.00 -1.82 0.00 0.00 70.33 66.42 2f76 n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2f76 h PRO 43 N -1.82 0.00 0.00 0.00 0.13 -1.95 -3.47 132.00 124.89 2f76 h PRO 43 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2f76 h PRO 43 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2f76 h PRO 43 CO 0.47 0.44 0.00 -2.67 -0.23 0.00 0.00 178.00 176.01 2f76 n TRP 44 N -3.50 -0.33 0.00 1.56 2.14 -1.26 -5.07 117.44 110.98 2f76 n TRP 44 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 2f76 n TRP 44 Cb 0.57 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.07 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 0.00 0.00 -1.75 -2.67 -0.00 -1.26 -5.10 117.46 106.68 2f76 n PHE 45 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.05 2f76 n PHE 45 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.49 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2f76 n PRO 46 N 0.00 2.31 -3.56 -7.13 -0.02 -1.26 -4.88 135.00 120.46 2f76 n PRO 46 Ca 0.00 0.82 -0.15 0.00 -2.02 0.00 0.00 63.50 62.15 2f76 n PRO 46 Cb 0.00 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 30.82 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 -2.30 0.89 0.03 -0.52 2.00 -1.26 -5.01 119.66 113.49 2f76 s GLN 47 Ca 0.59 0.45 -0.14 0.00 -2.00 0.00 0.00 55.36 54.25 2f76 s GLN 47 Cb -0.47 0.42 0.02 0.00 0.80 0.00 0.00 33.01 33.79 2f76 s GLN 47 CO 0.59 -0.23 0.30 -2.00 -0.50 0.00 0.00 175.29 173.46 2f76 s GLU 48 N -0.69 0.78 0.00 1.67 2.12 -1.26 -4.84 118.70 116.49 2f76 s GLU 48 Ca -0.06 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 54.82 2f76 s GLU 48 Cb -0.02 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.71 2f76 s GLU 48 CO 0.05 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 2f76 n GLY 49 N 0.70 2.90 3.18 -1.50 0.00 -1.26 -4.99 105.19 104.23 2f76 n GLY 49 Ca -0.19 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.11 0.10 -0.13 2.61 -4.23 -1.26 -5.09 115.64 105.52 2f76 s THR 50 Ca 0.00 -1.95 -0.33 0.00 -1.18 0.00 0.00 61.69 58.23 2f76 s THR 50 Cb 0.00 -2.24 -0.15 0.00 1.34 0.00 0.00 72.50 71.44 2f76 s THR 50 CO 0.00 -0.27 0.96 -0.38 -0.54 0.00 0.00 174.62 174.39 2f76 n ILE 51 N -0.18 0.00 -0.23 2.99 5.41 -1.26 -4.78 119.36 121.31 2f76 n ILE 51 Ca -0.02 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.72 2f76 n ILE 51 Cb 0.65 -0.13 0.22 0.00 -0.71 0.00 0.00 39.64 39.66 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 2.84 0.89 0.44 4.38 1.82 -1.96 -0.45 116.42 124.39 2f76 h ASP 52 Ca -0.37 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.20 2f76 h ASP 52 Cb 1.09 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.87 2f76 h ASP 52 CO 0.59 0.68 -0.11 0.40 -1.61 0.00 0.00 179.24 179.18 2f76 h ILE 53 N 1.04 0.48 -0.66 2.25 2.04 -1.95 -3.06 117.51 117.65 2f76 h ILE 53 Ca 0.27 -0.55 0.14 0.00 1.00 0.00 0.00 64.86 65.73 2f76 h ILE 53 Cb -0.06 1.37 -0.11 0.00 -0.74 0.00 0.00 36.82 37.27 2f76 h ILE 53 CO -0.05 0.11 -0.02 0.50 0.00 0.00 0.00 178.15 178.69 2f76 h LYS 54 N 0.00 0.09 -0.97 2.37 3.64 -1.40 0.40 116.57 120.71 2f76 h LYS 54 Ca -0.00 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2f76 h LYS 54 Cb 0.36 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 2f76 h LYS 54 CO 0.01 0.06 0.63 -0.09 -2.27 0.00 0.00 179.45 177.80 2f76 h ARG 55 N 0.10 1.14 -0.10 1.90 2.43 -1.68 0.23 114.38 118.39 2f76 h ARG 55 Ca 0.34 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2f76 h ARG 55 Cb 0.57 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2f76 h ARG 55 CO -0.58 0.75 0.05 2.35 -1.51 0.00 0.00 179.97 181.03 2f76 h TRP 56 N 1.17 0.15 -0.30 2.20 7.01 -0.41 -2.61 115.95 123.16 2f76 h TRP 56 Ca 0.40 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 61.30 2f76 h TRP 56 Cb 0.09 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 2f76 h TRP 56 CO -0.00 0.21 -0.22 0.00 -2.79 0.00 0.00 178.44 175.64 2f76 h ARG 57 N 0.04 0.57 -0.81 2.65 2.47 -0.65 -2.83 114.38 115.81 2f76 h ARG 57 Ca 0.03 -0.21 0.09 0.00 -1.26 0.00 0.00 59.98 58.63 2f76 h ARG 57 Cb 0.12 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.33 2f76 h ARG 57 CO -0.00 0.75 0.47 0.00 0.56 0.00 0.00 179.97 181.74 2f76 h ARG 58 N 0.51 0.77 -0.28 0.04 3.08 -0.31 0.42 114.38 118.61 2f76 h ARG 58 Ca 0.08 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2f76 h ARG 58 Cb 0.66 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2f76 h ARG 58 CO 0.05 0.51 0.17 0.28 -1.07 0.00 0.00 179.97 179.91 2f76 h VAL 59 N 0.79 1.10 0.31 2.04 2.07 -1.22 -2.00 116.25 119.34 2f76 h VAL 59 Ca 0.39 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 2f76 h VAL 59 Cb 0.33 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2f76 h VAL 59 CO -0.24 0.09 -0.15 1.23 0.02 0.00 0.00 177.57 178.53 2f76 h GLY 60 N 0.35 -0.44 -0.37 2.17 0.00 -1.16 0.31 103.07 103.94 2f76 h GLY 60 Ca 0.10 0.16 0.26 0.00 0.00 0.00 0.00 47.33 47.85 2f76 h GLY 60 CO -0.02 -0.16 0.42 -0.55 0.00 0.00 0.00 176.54 176.23 2f76 h ASP 61 N -0.68 0.32 0.06 0.19 3.32 -0.14 2.16 116.42 121.65 2f76 h ASP 61 Ca -0.04 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2f76 h ASP 61 Cb 0.47 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2f76 h ASP 61 CO 0.07 -0.08 -0.03 0.00 -1.72 0.00 0.00 179.24 177.49 2f76 h PHE 63 N -0.60 0.15 -0.95 0.00 3.57 -0.11 -2.84 116.94 116.15 2f76 h PHE 63 Ca -0.01 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.55 2f76 h PHE 63 Cb 0.06 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 2f76 h PHE 63 CO 0.01 0.23 0.62 0.37 -2.23 0.00 0.00 178.31 177.30 2f76 h GLN 64 N 0.02 1.05 -0.26 1.11 4.15 0.35 0.24 115.11 121.77 2f76 h GLN 64 Ca 0.03 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.40 2f76 h GLN 64 Cb 0.14 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2f76 h GLN 64 CO -0.00 0.70 0.16 -0.44 -1.93 0.00 0.00 178.83 177.31 2f76 h ASP 65 N 1.08 0.27 -0.12 -0.69 3.32 -1.31 0.58 116.42 119.56 2f76 h ASP 65 Ca 0.42 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.40 2f76 h ASP 65 Cb 0.22 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 2f76 h ASP 65 CO -0.17 0.20 -0.17 1.88 -1.72 0.00 0.00 179.24 179.26 2f76 h TYR 66 N 0.33 0.40 -0.77 4.55 0.05 -1.16 -2.23 116.97 118.14 2f76 h TYR 66 Ca 0.10 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.71 2f76 h TYR 66 Cb -0.03 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 2f76 h TYR 66 CO -0.07 0.77 0.36 1.88 -1.05 0.00 0.00 178.16 180.06 2f76 h TYR 67 N -0.08 1.12 -0.53 4.88 -1.99 -0.47 0.18 116.97 120.08 2f76 h TYR 67 Ca 0.01 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 2f76 h TYR 67 Cb 0.72 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 39.09 2f76 h TYR 67 CO 0.10 0.82 0.22 -0.91 -0.00 0.00 0.00 178.16 178.39 2f76 h ASN 68 N 1.09 0.72 -0.30 3.88 -0.26 0.16 0.19 115.58 121.06 2f76 h ASN 68 Ca 0.26 -0.16 -0.07 0.00 -0.56 0.00 0.00 56.30 55.78 2f76 h ASN 68 Cb 0.13 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 2f76 h ASN 68 CO -0.03 0.68 -0.06 0.74 -1.06 0.00 0.00 177.43 177.70 2f76 h THR 69 N 0.72 1.28 -0.70 2.81 2.02 -1.08 -3.08 112.91 114.88 2f76 h THR 69 Ca 0.18 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.29 2f76 h THR 69 Cb 0.18 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2f76 h THR 69 CO -0.02 0.35 0.44 -0.26 0.37 0.00 0.00 175.52 176.41 2f76 h PHE 70 N 0.35 0.83 0.00 3.16 0.04 -0.43 -3.47 116.94 117.42 2f76 h PHE 70 Ca 0.08 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2f76 h PHE 70 Cb 0.55 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2f76 h PHE 70 CO 0.05 0.49 0.00 0.41 -0.60 0.00 0.00 178.31 178.66 2f76 n GLY 71 N -1.29 0.43 3.50 -1.45 0.00 -0.02 -5.09 105.19 101.27 2f76 n GLY 71 Ca 0.07 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 0.02 -0.11 1.61 -0.02 -0.73 -4.71 135.00 131.06 2f76 n PRO 72 Ca 0.00 -0.01 0.10 0.00 -2.02 0.00 0.00 63.50 61.57 2f76 n PRO 72 Cb 0.00 -1.31 0.32 0.00 -0.02 0.00 0.00 33.50 32.50 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 7.06 1.82 -0.33 -0.52 0.28 -1.26 -3.42 120.64 124.27 2f76 n GLU 73 Ca 0.66 -1.24 0.24 0.00 -0.16 0.00 0.00 57.16 56.67 2f76 n GLU 73 Cb 0.09 -1.38 0.46 0.00 1.43 0.00 0.00 31.44 32.04 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 0.47 -0.07 -3.89 3.44 4.81 -1.26 -2.53 118.16 119.13 2f76 n LYS 74 Ca 0.16 1.43 -0.31 0.00 -0.87 0.00 0.00 58.31 58.72 2f76 n LYS 74 Cb 0.35 -2.43 -0.13 0.00 0.02 0.00 0.00 35.03 32.84 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 -5.73 2.91 0.37 3.15 -7.23 -1.26 -4.76 120.40 107.86 2f76 s VAL 75 Ca -0.11 -3.50 -0.26 0.00 -1.81 0.00 0.00 61.98 56.30 2f76 s VAL 75 Cb 0.32 -2.96 -0.12 0.00 0.56 0.00 0.00 36.38 34.18 2f76 s VAL 75 CO 0.78 -0.87 1.16 -2.65 -0.31 0.00 0.00 175.10 173.21 2f76 n PRO 76 N 2.88 1.75 0.18 4.82 -0.02 -1.05 -4.85 135.00 138.70 2f76 n PRO 76 Ca 0.09 0.62 0.16 0.00 -2.02 0.00 0.00 63.50 62.35 2f76 n PRO 76 Cb 0.34 -2.18 0.78 0.00 -0.02 0.00 0.00 33.50 32.41 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 2.08 0.60 0.00 -1.45 3.04 -1.91 -1.77 116.25 116.84 2f76 h VAL 77 Ca -0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2f76 h VAL 77 Cb 1.31 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2f76 h VAL 77 CO 0.60 0.00 0.47 0.35 -1.01 0.00 0.00 177.57 177.98 2f76 n THR 78 N -4.02 0.40 0.24 3.17 -2.24 -1.26 0.51 114.28 111.08 2f76 n THR 78 Ca 0.02 0.66 0.07 0.00 -2.27 0.00 0.00 64.05 62.53 2f76 n THR 78 Cb 0.34 -1.66 0.56 0.00 -2.10 0.00 0.00 70.33 67.47 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 0.58 1.76 -0.08 6.98 0.00 -1.67 -2.74 119.26 124.10 2f76 h ALA 79 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2f76 h ALA 79 Cb 0.93 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2f76 h ALA 79 CO 0.00 0.15 0.02 0.35 0.00 0.00 0.00 179.25 179.77 2f76 h PHE 80 N 0.00 0.03 -0.59 0.00 3.04 -0.21 0.92 116.94 120.13 2f76 h PHE 80 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2f76 h PHE 80 Cb 0.22 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 2f76 h PHE 80 CO 0.00 0.02 0.38 0.77 -2.02 0.00 0.00 178.31 177.46 2f76 h SER 81 N 0.05 0.69 -0.86 0.41 0.02 -1.69 -1.78 113.55 110.40 2f76 h SER 81 Ca 0.03 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2f76 h SER 81 Cb 0.02 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.33 2f76 h SER 81 CO -0.04 0.52 0.54 0.22 -1.14 0.00 0.00 176.83 176.93 2f76 h TYR 82 N 0.80 1.01 -0.21 3.45 3.20 -1.29 -0.43 116.97 123.51 2f76 h TYR 82 Ca 0.22 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2f76 h TYR 82 Cb -0.07 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.86 2f76 h TYR 82 CO -0.03 0.56 0.07 2.35 -1.64 0.00 0.00 178.16 179.47 2f76 h TRP 83 N 1.03 0.28 -0.83 -3.82 7.01 -0.00 -2.06 115.95 117.56 2f76 h TRP 83 Ca 0.35 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.39 2f76 h TRP 83 Cb 0.06 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 26.98 2f76 h TRP 83 CO -0.02 0.24 0.53 -0.97 -2.79 0.00 0.00 178.44 175.42 2f76 h ASN 84 N 0.29 0.87 -0.81 2.65 -1.24 -0.35 -1.08 115.58 115.90 2f76 h ASN 84 Ca 0.07 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 2f76 h ASN 84 Cb 0.09 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 2f76 h ASN 84 CO -0.01 0.59 0.40 -0.07 -1.29 0.00 0.00 177.43 177.05 2f76 h LEU 85 N 1.02 1.06 -0.40 0.34 -0.00 -1.29 -2.65 115.31 113.39 2f76 h LEU 85 Ca 0.34 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 58.08 2f76 h LEU 85 Cb 0.04 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.41 2f76 h LEU 85 CO -0.13 0.89 0.18 0.40 -0.00 0.00 0.00 178.44 179.78 2f76 h ILE 86 N 1.16 1.18 -0.96 1.22 2.04 -1.13 -2.31 117.51 118.71 2f76 h ILE 86 Ca 0.28 -0.51 0.15 0.00 1.00 0.00 0.00 64.86 65.79 2f76 h ILE 86 Cb 0.10 0.79 -0.10 0.00 -0.74 0.00 0.00 36.82 36.87 2f76 h ILE 86 CO -0.04 0.19 0.57 0.11 0.00 0.00 0.00 178.15 178.98 2f76 h LYS 87 N 0.50 0.78 -0.19 2.37 1.57 -0.97 0.38 116.57 121.01 2f76 h LYS 87 Ca 0.13 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2f76 h LYS 87 Cb 0.13 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2f76 h LYS 87 CO -0.02 0.52 -0.21 0.93 -0.57 0.00 0.00 179.45 180.10 2f76 h GLU 88 N 0.80 0.33 0.01 3.15 5.08 -1.23 0.84 114.58 123.57 2f76 h GLU 88 Ca 0.52 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2f76 h GLU 88 Cb 0.69 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2f76 h GLU 88 CO -0.34 0.53 -0.01 1.25 -1.00 0.00 0.00 179.01 179.45 2f76 h LEU 89 N 0.31 -0.01 -0.30 1.33 5.85 0.20 -2.07 115.31 120.61 2f76 h LEU 89 Ca 0.05 -0.60 -0.09 0.00 0.84 0.00 0.00 57.88 58.08 2f76 h LEU 89 Cb 0.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2f76 h LEU 89 CO 0.04 0.60 -0.14 0.40 -0.34 0.00 0.00 178.44 179.00 2f76 h ILE 90 N -0.64 1.29 -0.10 4.05 2.04 -0.96 -0.50 117.51 122.70 2f76 h ILE 90 Ca -0.00 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 2f76 h ILE 90 Cb 0.62 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2f76 h ILE 90 CO 0.00 0.40 0.06 0.44 0.00 0.00 0.00 178.15 179.05 2f76 h ASP 91 N 0.39 0.12 -0.35 1.72 3.32 -0.93 -0.29 116.42 120.40 2f76 h ASP 91 Ca 0.07 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 2f76 h ASP 91 Cb 0.67 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2f76 h ASP 91 CO 0.04 0.14 0.07 0.11 -1.72 0.00 0.00 179.24 177.88 2f76 h LYS 92 N 0.09 0.57 -4.60 3.56 1.57 -1.37 -3.41 116.57 112.97 2f76 h LYS 92 Ca 0.04 -0.15 -0.25 0.00 -1.87 0.00 0.00 60.65 58.42 2f76 h LYS 92 Cb 0.04 -0.07 -0.18 0.00 0.08 0.00 0.00 32.23 32.10 2f76 h LYS 92 CO -0.01 0.63 -0.72 0.15 -0.57 0.00 0.00 179.45 178.94 2f76 s LYS 93 N -5.23 0.68 -1.71 3.15 1.02 -0.20 -4.79 119.74 112.65 2f76 s LYS 93 Ca -0.13 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 54.82 2f76 s LYS 93 Cb 0.09 -0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 2f76 s LYS 93 CO 0.76 0.02 0.00 0.39 -0.92 0.00 0.00 175.35 175.59 2f76 n GLU 94 N 0.72 -1.70 0.25 1.68 -0.58 -1.25 -3.71 120.64 116.06 2f76 n GLU 94 Ca -0.18 0.96 0.08 0.00 -0.42 0.00 0.00 57.16 57.61 2f76 n GLU 94 Cb 0.58 -5.51 0.63 0.00 -0.57 0.00 0.00 31.44 26.56 2f76 n GLU 94 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2f76 h VAL 95 N 0.00 0.96 -5.15 2.62 3.04 -1.28 -3.46 116.25 112.97 2f76 h VAL 95 Ca -0.42 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2f76 h VAL 95 Cb 1.29 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2f76 h VAL 95 CO 0.53 0.08 -0.40 0.59 -1.01 0.00 0.00 177.57 177.36 2f76 n ASN 96 N -4.29 -7.58 -0.20 3.17 5.03 -1.26 -4.88 115.26 105.24 2f76 n ASN 96 Ca -0.03 0.42 0.11 0.00 0.87 0.00 0.00 54.58 55.96 2f76 n ASN 96 Cb 0.16 -5.13 0.41 0.00 -1.02 0.00 0.00 39.78 34.21 2f76 n ASN 96 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2f76 h PRO 97 N 1.66 0.59 0.00 3.52 0.11 -1.92 -3.44 132.00 132.53 2f76 h PRO 97 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2f76 h PRO 97 Cb 0.95 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2f76 h PRO 97 CO 0.20 0.39 0.00 1.04 -0.21 0.00 0.00 178.00 179.43 2f76 n GLN 98 N -4.51 0.00 -5.06 1.05 6.02 -1.26 -4.23 117.38 109.40 2f76 n GLN 98 Ca 0.14 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.83 2f76 n GLN 98 Cb 0.42 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.51 2f76 n GLN 98 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2f76 s VAL 99 N 0.00 1.81 0.00 5.09 1.01 -1.26 -5.23 120.40 121.81 2f76 s VAL 99 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2f76 s VAL 99 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.81 2f76 s VAL 99 CO 0.00 0.50 0.00 0.23 0.00 0.00 0.00 175.10 175.83