#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 -1.90 3.68 3.03 0.00 -1.26 -4.86 105.19 103.88 2f76 n GLY 2 Ca 0.00 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 3.78 -0.24 1.61 -1.52 -1.26 -5.09 119.66 116.95 2f76 s GLN 3 Ca 0.00 -0.32 -0.06 0.00 -1.95 0.00 0.00 55.36 53.03 2f76 s GLN 3 Cb 0.00 -3.16 -0.02 0.00 -0.22 0.00 0.00 33.01 29.61 2f76 s GLN 3 CO 0.00 0.40 0.02 -2.00 -0.25 0.00 0.00 175.29 173.46 2f76 s GLU 4 N 0.01 3.53 0.00 2.91 2.12 -1.26 -4.99 118.70 121.02 2f76 s GLU 4 Ca 0.06 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.85 2f76 s GLU 4 Cb -0.12 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.08 2f76 s GLU 4 CO 0.01 -0.19 0.00 1.28 -0.54 0.00 0.00 175.26 175.82 2f76 n LEU 5 N 4.87 0.00 -3.80 2.70 4.77 -1.26 -5.09 117.00 119.19 2f76 n LEU 5 Ca -0.17 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.69 2f76 n LEU 5 Cb 0.51 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 2f76 n LEU 5 CO 0.30 -0.49 -0.06 -0.55 -1.33 0.00 0.00 177.39 175.26 2f76 s SER 6 N -4.07 -0.12 0.40 -1.43 0.15 -1.26 -5.04 113.70 102.33 2f76 s SER 6 Ca 0.00 0.02 0.12 0.00 0.70 0.00 0.00 55.95 56.79 2f76 s SER 6 Cb 0.00 0.30 0.82 0.00 -1.71 0.00 0.00 66.02 65.43 2f76 s SER 6 CO 0.00 -0.39 1.90 1.56 1.20 0.00 0.00 173.24 177.51 2f76 h GLN 7 N 4.19 0.05 -0.37 5.44 1.08 -1.98 -2.08 115.11 121.44 2f76 h GLN 7 Ca -0.30 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 56.81 2f76 h GLN 7 Cb 1.18 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 2f76 h GLN 7 CO 0.40 0.31 -0.07 0.45 -0.95 0.00 0.00 178.83 178.97 2f76 h HIS 8 N 0.05 0.79 -0.18 2.96 3.86 -1.99 0.27 115.15 120.91 2f76 h HIS 8 Ca 0.01 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 2f76 h HIS 8 Cb 0.49 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2f76 h HIS 8 CO 0.00 0.85 0.01 0.93 0.86 0.00 0.00 177.93 180.57 2f76 h GLU 9 N 0.51 0.31 -0.43 2.45 5.08 -1.91 -2.80 114.58 117.79 2f76 h GLU 9 Ca 0.10 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2f76 h GLU 9 Cb 0.58 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2f76 h GLU 9 CO 0.03 0.51 0.10 0.00 -1.00 0.00 0.00 179.01 178.66 2f76 h ARG 10 N 0.08 0.65 -0.35 2.33 3.08 -1.36 -2.34 114.38 116.47 2f76 h ARG 10 Ca 0.05 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2f76 h ARG 10 Cb 0.37 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2f76 h ARG 10 CO 0.01 0.60 0.16 -0.92 -1.07 0.00 0.00 179.97 178.74 2f76 h TYR 11 N 0.63 0.29 -0.27 3.04 3.20 -0.75 -2.47 116.97 120.64 2f76 h TYR 11 Ca 0.14 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2f76 h TYR 11 Cb 0.25 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2f76 h TYR 11 CO 0.01 0.15 0.10 0.28 -1.64 0.00 0.00 178.16 177.06 2f76 h VAL 12 N 0.33 1.19 -1.05 1.81 2.07 -1.23 -2.50 116.25 116.87 2f76 h VAL 12 Ca 0.15 -0.58 0.30 0.00 0.82 0.00 0.00 66.70 67.39 2f76 h VAL 12 Cb 0.08 1.05 -0.12 0.00 -1.52 0.00 0.00 31.29 30.78 2f76 h VAL 12 CO -0.12 0.19 0.64 -0.33 0.02 0.00 0.00 177.57 177.97 2f76 h GLU 13 N 0.29 0.38 -0.14 1.57 5.08 -1.00 0.64 114.58 121.39 2f76 h GLU 13 Ca 0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2f76 h GLU 13 Cb 0.21 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2f76 h GLU 13 CO -0.01 0.25 -0.00 1.96 -1.00 0.00 0.00 179.01 180.21 2f76 h GLN 14 N 0.39 0.25 -0.71 2.33 4.20 -1.02 -2.49 115.11 118.06 2f76 h GLN 14 Ca 0.68 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 59.24 2f76 h GLN 14 Cb 1.60 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.33 2f76 h GLN 14 CO -0.46 0.49 0.19 -0.07 -0.67 0.00 0.00 178.83 178.31 2f76 h LEU 15 N -0.02 1.06 -0.76 1.46 3.38 -0.26 -1.50 115.31 118.67 2f76 h LEU 15 Ca 0.04 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.85 2f76 h LEU 15 Cb 0.38 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2f76 h LEU 15 CO 0.01 1.00 0.46 0.50 0.09 0.00 0.00 178.44 180.50 2f76 h LYS 16 N 1.07 0.82 0.14 1.13 3.64 0.19 0.42 116.57 123.98 2f76 h LYS 16 Ca 0.23 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2f76 h LYS 16 Cb 0.35 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2f76 h LYS 16 CO -0.00 0.54 -0.07 1.96 -2.27 0.00 0.00 179.45 179.61 2f76 h GLN 17 N 0.85 -0.19 -0.12 1.90 4.20 -1.17 -2.02 115.11 118.56 2f76 h GLN 17 Ca 0.33 0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.08 2f76 h GLN 17 Cb 0.15 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2f76 h GLN 17 CO -0.17 0.26 -0.01 0.00 -0.67 0.00 0.00 178.83 178.25 2f76 h ALA 18 N -0.12 0.10 -0.64 3.87 0.00 -1.15 -2.19 119.26 119.13 2f76 h ALA 18 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2f76 h ALA 18 Cb 0.54 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2f76 h ALA 18 CO 0.03 -0.46 0.40 -0.07 0.00 0.00 0.00 179.25 179.15 2f76 h LEU 19 N 0.03 0.75 -1.02 0.00 3.38 -0.27 -1.99 115.31 116.19 2f76 h LEU 19 Ca 0.06 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2f76 h LEU 19 Cb 0.07 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 2f76 h LEU 19 CO -0.11 0.56 0.64 0.50 0.09 0.00 0.00 178.44 180.13 2f76 h LYS 20 N 0.87 1.11 0.00 1.13 3.64 -0.73 0.19 116.57 122.78 2f76 h LYS 20 Ca 0.23 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2f76 h LYS 20 Cb -0.06 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.51 2f76 h LYS 20 CO -0.05 0.73 0.00 0.25 -2.27 0.00 0.00 179.45 178.12 2f76 n THR 21 N -4.51 0.84 1.20 1.00 -2.24 -0.76 -2.03 114.28 107.78 2f76 n THR 21 Ca 0.16 0.20 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 2f76 n THR 21 Cb 0.21 -1.07 0.38 0.00 -2.10 0.00 0.00 70.33 67.74 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 0.60 0.00 -0.78 1.74 0.63 -4.89 116.66 111.93 2f76 n ARG 22 Ca 0.03 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 2f76 n ARG 22 Cb 0.23 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 1.38 1.59 3.70 -0.13 0.00 -0.86 -4.98 105.19 105.88 2f76 n GLY 23 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 5.36 -0.58 1.61 1.01 -1.02 -5.00 120.40 119.78 2f76 s VAL 24 Ca 0.00 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.30 2f76 s VAL 24 Cb 0.00 -3.52 0.15 0.00 0.00 0.00 0.00 36.38 33.01 2f76 s VAL 24 CO 0.00 0.39 0.38 -0.54 0.00 0.00 0.00 175.10 175.32 2f76 s LYS 25 N 0.69 1.98 0.07 2.72 1.02 -1.26 -4.17 119.74 120.80 2f76 s LYS 25 Ca 0.10 -2.82 0.01 0.00 0.02 0.00 0.00 55.97 53.27 2f76 s LYS 25 Cb -0.12 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 2f76 s LYS 25 CO 0.02 -1.24 -0.05 0.14 -0.92 0.00 0.00 175.35 173.30 2f76 s VAL 26 N -0.72 0.46 0.71 3.17 -7.23 -1.26 -5.10 120.40 110.43 2f76 s VAL 26 Ca 0.23 -1.76 -0.11 0.00 -1.81 0.00 0.00 61.98 58.52 2f76 s VAL 26 Cb -0.12 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.38 2f76 s VAL 26 CO -0.10 -0.87 1.08 -0.54 -0.31 0.00 0.00 175.10 174.36 2f76 s LYS 27 N -3.57 2.85 0.17 4.82 1.02 -1.26 -4.96 119.74 118.82 2f76 s LYS 27 Ca 0.07 0.64 -0.13 0.00 0.02 0.00 0.00 55.97 56.57 2f76 s LYS 27 Cb 0.04 -2.00 0.07 0.00 -0.52 0.00 0.00 37.83 35.42 2f76 s LYS 27 CO -0.06 -1.08 1.76 -0.92 -0.92 0.00 0.00 175.35 174.13 2f76 h TYR 28 N -0.69 0.81 -0.09 3.18 3.20 -2.01 -1.87 116.97 119.50 2f76 h TYR 28 Ca -0.45 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.41 2f76 h TYR 28 Cb 1.24 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 2f76 h TYR 28 CO 0.55 0.62 0.09 0.00 -1.64 0.00 0.00 178.16 177.77 2f76 h ALA 29 N 1.11 1.81 0.26 1.82 0.00 -1.98 -0.87 119.26 121.43 2f76 h ALA 29 Ca 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2f76 h ALA 29 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2f76 h ALA 29 CO -0.03 -0.14 -0.13 -0.44 0.00 0.00 0.00 179.25 178.52 2f76 h ASP 30 N 0.00 -0.30 -0.08 0.00 3.32 -1.70 0.11 116.42 117.77 2f76 h ASP 30 Ca 0.04 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.83 2f76 h ASP 30 Cb 0.22 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2f76 h ASP 30 CO -0.00 -0.11 -0.62 -0.07 -1.72 0.00 0.00 179.24 176.72 2f76 h LEU 31 N -0.48 0.78 -0.33 1.55 3.38 -1.50 -1.91 115.31 116.82 2f76 h LEU 31 Ca -0.04 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 2f76 h LEU 31 Cb 0.36 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2f76 h LEU 31 CO 0.06 1.21 0.15 0.25 0.09 0.00 0.00 178.44 180.21 2f76 h LEU 32 N 0.51 0.43 -0.62 1.67 5.85 -1.11 -1.11 115.31 120.92 2f76 h LEU 32 Ca -0.01 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 2f76 h LEU 32 Cb 1.21 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2f76 h LEU 32 CO 0.12 0.44 -0.08 0.11 -0.34 0.00 0.00 178.44 178.69 2f76 h LYS 33 N 0.39 1.00 -0.26 1.25 1.57 -0.81 -2.22 116.57 117.50 2f76 h LYS 33 Ca 0.11 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 2f76 h LYS 33 Cb 0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2f76 h LYS 33 CO -0.01 1.03 0.16 0.35 -0.57 0.00 0.00 179.45 180.41 2f76 h PHE 34 N 0.90 0.31 -0.15 -1.35 3.04 -1.05 -1.29 116.94 117.34 2f76 h PHE 34 Ca 0.15 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 2f76 h PHE 34 Cb 0.64 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 2f76 h PHE 34 CO 0.04 0.19 -0.10 0.74 -2.02 0.00 0.00 178.31 177.16 2f76 h PHE 35 N 0.33 0.25 -0.24 0.41 0.04 -1.13 -1.91 116.94 114.69 2f76 h PHE 35 Ca 0.10 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.75 2f76 h PHE 35 Cb -0.03 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 2f76 h PHE 35 CO -0.07 0.35 -0.26 -0.44 -0.60 0.00 0.00 178.31 177.29 2f76 h ASP 36 N 0.23 0.46 0.27 2.17 3.32 -0.71 -0.38 116.42 121.78 2f76 h ASP 36 Ca 0.05 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2f76 h ASP 36 Cb 0.33 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2f76 h ASP 36 CO 0.02 0.72 -0.13 0.15 -1.72 0.00 0.00 179.24 178.28 2f76 h PHE 37 N 0.41 -0.34 -0.23 4.55 3.04 -0.45 -2.31 116.94 121.61 2f76 h PHE 37 Ca 0.06 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.92 2f76 h PHE 37 Cb 0.67 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 2f76 h PHE 37 CO 0.02 -0.02 -0.21 -0.24 -2.02 0.00 0.00 178.31 175.84 2f76 h VAL 38 N -0.66 1.24 -0.77 1.41 3.04 -1.50 -2.51 116.25 116.50 2f76 h VAL 38 Ca -0.04 -1.13 0.00 0.00 -1.01 0.00 0.00 66.70 64.53 2f76 h VAL 38 Cb 0.46 1.30 -0.04 0.00 -2.01 0.00 0.00 31.29 31.00 2f76 h VAL 38 CO 0.06 0.36 0.49 0.11 -1.01 0.00 0.00 177.57 177.58 2f76 h LYS 39 N 0.38 1.03 -0.21 4.17 1.57 -1.01 4.55 116.57 127.04 2f76 h LYS 39 Ca 0.06 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2f76 h LYS 39 Cb 0.57 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2f76 h LYS 39 CO 0.04 0.70 0.07 -0.44 -0.57 0.00 0.00 179.45 179.25 2f76 h ASP 40 N 1.06 0.31 0.00 0.86 3.32 -0.96 -3.38 116.42 117.63 2f76 h ASP 40 Ca 0.28 -0.20 -0.31 0.00 0.02 0.00 0.00 57.03 56.82 2f76 h ASP 40 Cb -0.09 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 2f76 h ASP 40 CO -0.06 0.43 -2.02 0.35 -1.72 0.00 0.00 179.24 176.23 2f76 n THR 41 N -4.78 1.52 -3.84 0.35 -2.24 -0.99 -5.02 114.28 99.28 2f76 n THR 41 Ca -0.04 -0.21 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 2f76 n THR 41 Cb 0.15 -2.04 0.01 0.00 -2.10 0.00 0.00 70.33 66.35 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 -1.00 0.54 0.00 0.00 0.11 -1.96 -3.44 132.00 126.25 2f76 h PRO 43 Ca -0.58 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.49 2f76 h PRO 43 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2f76 h PRO 43 CO 0.38 0.36 0.00 -2.67 -0.21 0.00 0.00 178.00 175.86 2f76 n TRP 44 N -4.47 0.00 0.00 0.65 2.14 -1.26 -5.04 117.44 109.45 2f76 n TRP 44 Ca 0.08 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.65 2f76 n TRP 44 Cb 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.72 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 -1.77 -2.67 7.35 -1.26 -5.04 117.46 114.07 2f76 n PHE 45 Ca 0.00 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.32 2f76 n PHE 45 Cb 0.00 0.00 0.06 0.00 0.35 0.00 0.00 39.48 39.89 2f76 n PHE 45 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2f76 s PRO 46 N 0.00 2.75 0.26 -7.13 0.02 -1.26 -4.96 135.00 124.68 2f76 s PRO 46 Ca 0.00 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.13 2f76 s PRO 46 Cb 0.00 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 2f76 s PRO 46 CO 0.00 -1.45 0.44 -1.14 -0.33 0.00 0.00 177.00 174.52 2f76 s GLN 47 N -3.24 3.49 0.00 5.54 0.74 -1.26 -4.90 119.66 120.03 2f76 s GLN 47 Ca 0.79 -0.44 0.00 0.00 0.05 0.00 0.00 55.36 55.77 2f76 s GLN 47 Cb -0.38 -2.79 0.00 0.00 1.10 0.00 0.00 33.01 30.94 2f76 s GLN 47 CO 0.42 0.32 0.00 0.39 -0.55 0.00 0.00 175.29 175.86 2f76 n GLU 48 N -1.23 0.00 -0.02 1.67 1.02 -1.26 -5.03 120.64 115.79 2f76 n GLU 48 Ca -0.06 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.10 2f76 n GLU 48 Cb 0.55 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.00 2f76 n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f76 n GLY 49 N 1.33 -0.02 3.26 0.62 0.00 -1.26 -5.03 105.19 104.08 2f76 n GLY 49 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.49 0.87 -0.56 2.61 -4.23 -1.26 -5.06 115.64 107.53 2f76 s THR 50 Ca 0.05 -2.01 -0.42 0.00 -1.18 0.00 0.00 61.69 58.13 2f76 s THR 50 Cb 0.03 -2.08 -0.19 0.00 1.34 0.00 0.00 72.50 71.60 2f76 s THR 50 CO 0.05 -0.53 2.19 -0.38 -0.54 0.00 0.00 174.62 175.41 2f76 n ILE 51 N -0.26 0.00 -0.06 2.99 5.41 -1.26 -4.77 119.36 121.42 2f76 n ILE 51 Ca -0.07 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.64 2f76 n ILE 51 Cb 0.63 -0.50 0.18 0.00 -0.71 0.00 0.00 39.64 39.24 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 9.29 0.65 0.22 4.38 1.82 -1.96 -1.84 116.42 128.99 2f76 h ASP 52 Ca -0.09 -0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 2f76 h ASP 52 Cb 1.39 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.23 2f76 h ASP 52 CO 1.12 0.78 0.00 0.40 -1.61 0.00 0.00 179.24 179.93 2f76 h ILE 53 N 0.62 0.00 -0.56 2.25 2.04 -1.93 -2.56 117.51 117.37 2f76 h ILE 53 Ca 0.11 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.93 2f76 h ILE 53 Cb 0.52 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2f76 h ILE 53 CO 0.03 0.00 0.32 0.50 0.00 0.00 0.00 178.15 179.00 2f76 h LYS 54 N 0.00 0.61 -0.30 2.37 3.64 -1.68 -1.26 116.57 119.95 2f76 h LYS 54 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2f76 h LYS 54 Cb 0.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2f76 h LYS 54 CO 0.00 0.40 0.04 0.00 -2.27 0.00 0.00 179.45 177.63 2f76 h ARG 55 N 0.63 0.44 0.31 1.90 3.08 -1.63 0.22 114.38 119.33 2f76 h ARG 55 Ca 0.24 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2f76 h ARG 55 Cb 0.08 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2f76 h ARG 55 CO -0.13 0.44 -0.15 2.35 -1.07 0.00 0.00 179.97 181.41 2f76 h TRP 56 N 0.43 -0.39 0.00 3.04 7.01 -1.37 -2.71 115.95 121.96 2f76 h TRP 56 Ca 0.10 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.03 2f76 h TRP 56 Cb 0.22 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 2f76 h TRP 56 CO 0.01 -0.13 -0.27 0.00 -2.79 0.00 0.00 178.44 175.25 2f76 h ARG 57 N -0.60 0.00 -0.31 2.65 -0.00 -1.25 -2.89 114.38 111.98 2f76 h ARG 57 Ca -0.04 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.47 2f76 h ARG 57 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.37 2f76 h ARG 57 CO 0.07 0.27 0.12 -0.09 0.00 0.00 0.00 179.97 180.35 2f76 h ARG 58 N 0.00 0.26 -0.28 0.04 2.43 -0.26 0.42 114.38 116.99 2f76 h ARG 58 Ca -0.00 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2f76 h ARG 58 Cb 0.68 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2f76 h ARG 58 CO 0.04 0.17 -0.21 0.28 -1.51 0.00 0.00 179.97 178.74 2f76 h VAL 59 N 0.27 1.30 -0.12 0.20 2.07 -1.39 -2.46 116.25 116.13 2f76 h VAL 59 Ca 0.14 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 2f76 h VAL 59 Cb 0.09 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2f76 h VAL 59 CO -0.13 0.43 0.07 1.23 0.02 0.00 0.00 177.57 179.19 2f76 h GLY 60 N 0.36 0.17 0.84 2.17 0.00 -1.27 0.21 103.07 105.56 2f76 h GLY 60 Ca 0.05 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.34 2f76 h GLY 60 CO 0.06 0.07 0.56 -0.55 0.00 0.00 0.00 176.54 176.68 2f76 h ASP 61 N 0.10 0.92 0.42 0.19 3.32 -0.20 0.91 116.42 122.08 2f76 h ASP 61 Ca 0.04 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2f76 h ASP 61 Cb 0.06 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2f76 h ASP 61 CO -0.01 0.62 -0.20 0.00 -1.72 0.00 0.00 179.24 177.94 2f76 h PHE 63 N -0.96 1.01 -0.70 0.00 0.04 -0.47 -1.72 116.94 114.13 2f76 h PHE 63 Ca -0.06 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.77 2f76 h PHE 63 Cb 0.56 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 2f76 h PHE 63 CO 0.02 0.68 0.46 0.37 -0.60 0.00 0.00 178.31 179.24 2f76 h GLN 64 N 1.06 0.75 -0.42 1.51 -0.00 0.85 0.57 115.11 119.43 2f76 h GLN 64 Ca 0.28 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.86 2f76 h GLN 64 Cb -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.25 2f76 h GLN 64 CO -0.05 0.49 0.18 0.22 0.00 0.00 0.00 178.83 179.67 2f76 h ASP 65 N 0.77 0.58 0.34 -0.69 1.82 -0.85 0.33 116.42 118.72 2f76 h ASP 65 Ca 0.30 -0.16 -0.25 0.00 -0.39 0.00 0.00 57.03 56.53 2f76 h ASP 65 Cb 0.19 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.06 2f76 h ASP 65 CO -0.09 0.58 -1.05 0.22 -1.61 0.00 0.00 179.24 177.28 2f76 h TYR 66 N 0.54 0.68 -0.06 0.28 3.20 -1.27 -2.34 116.97 118.00 2f76 h TYR 66 Ca 0.14 -0.40 -0.01 0.00 3.14 0.00 0.00 58.73 61.60 2f76 h TYR 66 Cb 0.18 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2f76 h TYR 66 CO -0.00 1.24 -0.02 1.88 -1.64 0.00 0.00 178.16 179.62 2f76 h TYR 67 N 0.22 0.13 -0.58 -3.82 -1.99 0.26 -1.94 116.97 109.25 2f76 h TYR 67 Ca -0.11 -0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.51 2f76 h TYR 67 Cb 1.71 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 40.39 2f76 h TYR 67 CO 0.07 0.47 0.05 -0.91 -0.00 0.00 0.00 178.16 177.84 2f76 h ASN 68 N -0.25 0.95 -0.17 3.88 -0.26 0.14 0.11 115.58 119.99 2f76 h ASN 68 Ca 0.01 -0.28 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 2f76 h ASN 68 Cb 0.43 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 2f76 h ASN 68 CO 0.01 1.00 0.11 0.74 -1.06 0.00 0.00 177.43 178.22 2f76 h THR 69 N 0.88 1.06 -0.54 2.81 2.02 -1.43 -2.69 112.91 115.02 2f76 h THR 69 Ca 0.17 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 2f76 h THR 69 Cb 0.48 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2f76 h THR 69 CO 0.02 0.06 -0.07 -0.26 0.37 0.00 0.00 175.52 175.64 2f76 h PHE 70 N 0.21 1.10 0.00 3.16 -1.00 -1.26 -3.48 116.94 115.67 2f76 h PHE 70 Ca 0.06 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.63 2f76 h PHE 70 Cb 0.00 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.29 2f76 h PHE 70 CO -0.06 1.01 0.00 0.41 -1.61 0.00 0.00 178.31 178.06 2f76 n GLY 71 N -0.36 1.31 3.50 -1.45 0.00 0.12 -5.09 105.19 103.23 2f76 n GLY 71 Ca 0.02 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2f76 n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2f76 n PRO 72 N 0.00 0.10 -0.12 1.61 -0.02 0.16 -4.62 135.00 132.10 2f76 n PRO 72 Ca 0.00 -0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.57 2f76 n PRO 72 Cb 0.00 -1.68 0.31 0.00 -0.02 0.00 0.00 33.50 32.11 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 8.53 1.84 -0.27 -0.52 0.28 -1.26 -2.22 120.64 127.02 2f76 n GLU 73 Ca 0.63 -1.28 0.15 0.00 -0.16 0.00 0.00 57.16 56.50 2f76 n GLU 73 Cb 0.08 -1.38 0.29 0.00 1.43 0.00 0.00 31.44 31.86 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 0.51 -0.06 -3.87 3.44 4.81 -1.26 -2.26 118.16 119.48 2f76 n LYS 74 Ca 0.16 1.18 -0.32 0.00 -0.87 0.00 0.00 58.31 58.46 2f76 n LYS 74 Cb 0.35 -1.93 -0.12 0.00 0.02 0.00 0.00 35.03 33.35 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 -5.63 3.03 0.68 3.15 -7.23 -1.26 -4.66 120.40 108.48 2f76 s VAL 75 Ca -0.10 -3.47 -0.17 0.00 -1.81 0.00 0.00 61.98 56.43 2f76 s VAL 75 Cb 0.24 -3.03 0.01 0.00 0.56 0.00 0.00 36.38 34.16 2f76 s VAL 75 CO 0.63 -0.88 1.28 -2.65 -0.31 0.00 0.00 175.10 173.17 2f76 n PRO 76 N 2.91 0.96 0.19 4.82 -0.02 -0.96 -4.71 135.00 138.20 2f76 n PRO 76 Ca 0.10 0.39 0.04 0.00 -2.02 0.00 0.00 63.50 62.00 2f76 n PRO 76 Cb 0.34 -2.52 0.43 0.00 -0.02 0.00 0.00 33.50 31.73 2f76 n PRO 76 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2f76 h VAL 77 N 0.29 1.19 0.00 -1.45 -1.51 -1.92 -2.62 116.25 110.23 2f76 h VAL 77 Ca -0.50 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 2f76 h VAL 77 Cb 1.33 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 2f76 h VAL 77 CO 0.52 0.26 0.67 0.71 -1.23 0.00 0.00 177.57 178.49 2f76 h THR 78 N 0.05 0.00 0.00 7.19 1.35 -2.01 0.87 112.91 120.35 2f76 h THR 78 Ca 0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.85 2f76 h THR 78 Cb 0.45 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.18 2f76 h THR 78 CO 0.03 0.00 -0.09 0.00 -0.25 0.00 0.00 175.52 175.21 2f76 h ALA 79 N 0.64 1.75 -0.15 6.62 0.00 -1.84 -2.58 119.26 123.70 2f76 h ALA 79 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2f76 h ALA 79 Cb 1.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2f76 h ALA 79 CO 0.00 0.12 0.09 0.35 0.00 0.00 0.00 179.25 179.80 2f76 h PHE 80 N 0.00 0.16 -0.51 0.00 3.04 0.53 0.15 116.94 120.31 2f76 h PHE 80 Ca -0.00 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 2f76 h PHE 80 Cb 0.17 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 2f76 h PHE 80 CO 0.00 0.10 0.29 0.77 -2.02 0.00 0.00 178.31 177.44 2f76 h SER 81 N 0.18 0.64 -0.87 0.41 0.02 -1.64 -2.04 113.55 110.26 2f76 h SER 81 Ca 0.06 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2f76 h SER 81 Cb -0.00 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.32 2f76 h SER 81 CO -0.03 0.54 0.55 0.22 -1.14 0.00 0.00 176.83 176.97 2f76 h TYR 82 N 0.68 1.04 -0.28 3.45 3.20 -1.27 0.51 116.97 124.30 2f76 h TYR 82 Ca 0.18 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.11 2f76 h TYR 82 Cb 0.04 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 2f76 h TYR 82 CO -0.02 0.58 0.19 2.35 -1.64 0.00 0.00 178.16 179.62 2f76 h TRP 83 N 1.06 0.22 -0.99 -3.82 7.01 -0.01 -0.60 115.95 118.82 2f76 h TRP 83 Ca 0.35 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.40 2f76 h TRP 83 Cb 0.05 -0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 26.97 2f76 h TRP 83 CO -0.02 0.13 0.65 -0.97 -2.79 0.00 0.00 178.44 175.43 2f76 h ASN 84 N 0.23 1.06 -0.96 2.65 -1.24 -0.35 -0.53 115.58 116.45 2f76 h ASN 84 Ca 0.12 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2f76 h ASN 84 Cb 0.18 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 38.95 2f76 h ASN 84 CO -0.02 0.72 0.61 -0.07 -1.29 0.00 0.00 177.43 177.37 2f76 h LEU 85 N 1.22 1.13 -0.48 0.34 -0.00 -1.04 -2.19 115.31 114.29 2f76 h LEU 85 Ca 0.40 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 58.21 2f76 h LEU 85 Cb 0.05 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.40 2f76 h LEU 85 CO -0.13 0.84 0.19 0.40 -0.00 0.00 0.00 178.44 179.74 2f76 h ILE 86 N 1.31 1.21 -0.71 1.22 2.04 -1.06 -2.36 117.51 119.16 2f76 h ILE 86 Ca 0.35 -0.63 0.16 0.00 1.00 0.00 0.00 64.86 65.73 2f76 h ILE 86 Cb -0.10 0.73 -0.12 0.00 -0.74 0.00 0.00 36.82 36.59 2f76 h ILE 86 CO -0.07 0.24 0.05 0.11 0.00 0.00 0.00 178.15 178.48 2f76 h LYS 87 N 0.63 0.15 -0.04 2.37 1.57 -0.70 0.69 116.57 121.23 2f76 h LYS 87 Ca 0.16 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2f76 h LYS 87 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2f76 h LYS 87 CO -0.01 0.10 -0.27 0.93 -0.57 0.00 0.00 179.45 179.62 2f76 h GLU 88 N 0.15 0.08 0.01 3.15 5.08 -1.32 0.52 114.58 122.24 2f76 h GLU 88 Ca 0.39 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2f76 h GLU 88 Cb 0.67 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2f76 h GLU 88 CO -0.58 0.35 -0.00 1.25 -1.00 0.00 0.00 179.01 179.02 2f76 h LEU 89 N 0.07 -0.01 -0.26 1.33 5.85 0.81 -2.94 115.31 120.16 2f76 h LEU 89 Ca 0.01 -0.43 -0.18 0.00 0.84 0.00 0.00 57.88 58.13 2f76 h LEU 89 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2f76 h LEU 89 CO 0.04 0.43 -0.53 0.40 -0.34 0.00 0.00 178.44 178.44 2f76 h ILE 90 N -0.44 1.29 -0.58 4.05 2.04 -0.91 -3.08 117.51 119.88 2f76 h ILE 90 Ca -0.00 -1.72 0.11 0.00 1.00 0.00 0.00 64.86 64.25 2f76 h ILE 90 Cb 0.43 1.71 -0.09 0.00 -0.74 0.00 0.00 36.82 38.13 2f76 h ILE 90 CO 0.00 0.55 0.09 0.44 0.00 0.00 0.00 178.15 179.23 2f76 h ASP 91 N 0.57 -0.07 -0.74 1.72 3.32 -0.95 -0.18 116.42 120.09 2f76 h ASP 91 Ca 0.01 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2f76 h ASP 91 Cb 1.14 0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 2f76 h ASP 91 CO 0.12 -0.02 0.32 0.11 -1.72 0.00 0.00 179.24 178.04 2f76 h LYS 92 N 0.21 1.11 -6.98 3.56 1.57 -1.53 -3.42 116.57 111.09 2f76 h LYS 92 Ca 0.30 -0.18 -0.45 0.00 -1.87 0.00 0.00 60.65 58.45 2f76 h LYS 92 Cb 0.45 -0.19 0.06 0.00 0.08 0.00 0.00 32.23 32.64 2f76 h LYS 92 CO -0.42 0.88 0.04 0.15 -0.57 0.00 0.00 179.45 179.54 2f76 s LYS 93 N -5.54 2.26 -1.43 3.15 1.02 -0.08 -4.31 119.74 114.82 2f76 s LYS 93 Ca -0.12 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.06 2f76 s LYS 93 Cb 0.16 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 35.09 2f76 s LYS 93 CO 0.82 -0.99 0.27 -1.91 -0.92 0.00 0.00 175.35 172.63 2f76 n GLU 94 N -2.56 -3.10 -0.14 1.68 2.13 -1.26 -4.84 120.64 112.55 2f76 n GLU 94 Ca 0.10 0.77 -0.10 0.00 0.66 0.00 0.00 57.16 58.59 2f76 n GLU 94 Cb 0.60 -5.49 -0.01 0.00 0.27 0.00 0.00 31.44 26.82 2f76 n GLU 94 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2f76 h VAL 95 N -0.59 1.24 -0.56 6.31 2.07 -1.81 -3.41 116.25 119.50 2f76 h VAL 95 Ca -0.44 -0.84 -0.16 0.00 0.82 0.00 0.00 66.70 66.09 2f76 h VAL 95 Cb 1.31 0.99 -0.15 0.00 -1.52 0.00 0.00 31.29 31.92 2f76 h VAL 95 CO 0.51 0.29 -0.44 -0.46 0.02 0.00 0.00 177.57 177.49 2f76 n ASN 96 N -4.52 -3.01 -4.76 0.57 2.04 -1.26 -5.15 115.26 99.16 2f76 n ASN 96 Ca -0.00 -2.83 -0.39 0.00 -0.44 0.00 0.00 54.58 50.92 2f76 n ASN 96 Cb 0.22 1.65 0.03 0.00 -2.53 0.00 0.00 39.78 39.15 2f76 n ASN 96 CO 0.00 0.00 0.00 -2.84 -0.44 0.00 0.00 177.26 173.98 2f76 s PRO 97 N 0.79 3.43 0.05 -0.53 0.02 -1.26 -4.92 135.00 132.57 2f76 s PRO 97 Ca 0.30 2.35 -0.31 0.00 0.02 0.00 0.00 61.00 63.36 2f76 s PRO 97 Cb 0.10 -2.47 -0.07 0.00 0.02 0.00 0.00 34.50 32.07 2f76 s PRO 97 CO -0.12 -1.00 1.53 -0.65 -0.33 0.00 0.00 177.00 176.43 2f76 s GLN 98 N -2.66 4.24 0.13 5.54 -1.52 -1.26 -4.91 119.66 119.22 2f76 s GLN 98 Ca 0.66 2.17 -0.17 0.00 -1.95 0.00 0.00 55.36 56.07 2f76 s GLN 98 Cb -0.42 -3.54 -0.02 0.00 -0.22 0.00 0.00 33.01 28.81 2f76 s GLN 98 CO 0.53 -0.64 1.71 0.28 -0.25 0.00 0.00 175.29 176.92 2f76 h VAL 99 N 4.77 1.16 0.00 1.09 2.07 -2.07 -3.56 116.25 119.70 2f76 h VAL 99 Ca -0.41 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2f76 h VAL 99 Cb 1.19 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2f76 h VAL 99 CO 0.91 0.17 0.00 0.80 0.02 0.00 0.00 177.57 179.47