#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 1.80 0.33 -5.12 0.00 -0.97 -4.13 105.19 97.09 2f76 n GLY 2 Ca 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 43.99 2f76 n GLY 2 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2f76 h GLN 3 N 0.00 1.04 0.08 1.61 1.08 -2.10 -3.00 115.11 113.83 2f76 h GLN 3 Ca 0.00 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2f76 h GLN 3 Cb 0.00 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.26 2f76 h GLN 3 CO 0.00 0.86 -0.04 0.93 -0.95 0.00 0.00 178.83 179.63 2f76 h GLU 4 N 1.02 -0.11 -5.43 1.46 5.08 -2.10 -3.42 114.58 111.09 2f76 h GLU 4 Ca 0.23 0.01 -0.66 0.00 -1.00 0.00 0.00 59.36 57.94 2f76 h GLU 4 Cb 0.23 0.02 -0.28 0.00 0.50 0.00 0.00 28.75 29.22 2f76 h GLU 4 CO -0.02 0.05 -0.79 -1.17 -1.00 0.00 0.00 179.01 176.08 2f76 s LEU 5 N -9.92 2.58 0.13 1.33 2.96 -1.13 -5.04 118.68 109.59 2f76 s LEU 5 Ca -0.14 -0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 53.31 2f76 s LEU 5 Cb 0.05 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 2f76 s LEU 5 CO 0.65 0.18 0.26 -0.94 -1.32 0.00 0.00 176.35 175.18 2f76 s SER 6 N 0.24 0.05 0.38 3.68 1.04 -1.25 0.46 113.70 118.30 2f76 s SER 6 Ca -0.10 -0.75 0.07 0.00 0.48 0.00 0.00 55.95 55.64 2f76 s SER 6 Cb -0.16 0.40 0.75 0.00 0.10 0.00 0.00 66.02 67.11 2f76 s SER 6 CO 0.06 -0.83 1.95 -0.61 0.98 0.00 0.00 173.24 174.78 2f76 h GLN 7 N 2.61 0.43 -0.51 4.02 4.15 -1.99 -1.31 115.11 122.51 2f76 h GLN 7 Ca -0.33 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 58.93 2f76 h GLN 7 Cb 1.22 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 2f76 h GLN 7 CO 0.51 0.43 -0.05 0.45 -1.93 0.00 0.00 178.83 178.24 2f76 h HIS 8 N 0.42 1.02 -0.28 3.99 3.86 -1.99 0.28 115.15 122.46 2f76 h HIS 8 Ca 0.10 -0.19 -0.06 0.00 -1.16 0.00 0.00 60.37 59.05 2f76 h HIS 8 Cb 0.22 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2f76 h HIS 8 CO 0.01 0.96 -0.06 0.93 0.86 0.00 0.00 177.93 180.63 2f76 h GLU 9 N 0.79 0.53 -0.49 2.45 5.08 -1.84 -2.66 114.58 118.44 2f76 h GLU 9 Ca 0.14 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2f76 h GLU 9 Cb 0.59 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2f76 h GLU 9 CO 0.04 0.73 0.03 0.00 -1.00 0.00 0.00 179.01 178.81 2f76 h ARG 10 N 0.29 0.79 -0.48 2.33 3.08 -1.18 -2.22 114.38 116.99 2f76 h ARG 10 Ca 0.07 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.94 2f76 h ARG 10 Cb 0.53 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 2f76 h ARG 10 CO 0.03 0.78 0.30 -0.92 -1.07 0.00 0.00 179.97 179.08 2f76 h TYR 11 N 0.75 0.56 -0.26 3.04 3.20 -0.81 -2.48 116.97 120.97 2f76 h TYR 11 Ca 0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 2f76 h TYR 11 Cb 0.41 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2f76 h TYR 11 CO 0.02 0.33 0.10 0.28 -1.64 0.00 0.00 178.16 177.25 2f76 h VAL 12 N 0.60 1.17 -0.99 1.81 2.07 -1.22 -2.55 116.25 117.14 2f76 h VAL 12 Ca 0.19 -0.53 0.25 0.00 0.82 0.00 0.00 66.70 67.43 2f76 h VAL 12 Cb -0.01 1.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.67 2f76 h VAL 12 CO -0.07 0.18 0.56 -0.33 0.02 0.00 0.00 177.57 177.92 2f76 h GLU 13 N 0.27 0.51 -0.17 1.57 5.08 -1.01 0.61 114.58 121.43 2f76 h GLU 13 Ca 0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2f76 h GLU 13 Cb 0.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2f76 h GLU 13 CO -0.01 0.34 0.02 1.96 -1.00 0.00 0.00 179.01 180.33 2f76 h GLN 14 N 0.53 0.29 -0.66 2.33 4.20 -1.05 -2.43 115.11 118.32 2f76 h GLN 14 Ca 0.64 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 59.22 2f76 h GLN 14 Cb 1.25 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 2f76 h GLN 14 CO -0.50 0.46 0.20 -0.07 -0.67 0.00 0.00 178.83 178.25 2f76 h LEU 15 N 0.07 0.96 -0.59 1.46 3.38 -0.52 -1.32 115.31 118.75 2f76 h LEU 15 Ca 0.05 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.89 2f76 h LEU 15 Cb 0.32 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2f76 h LEU 15 CO 0.00 0.92 0.25 0.50 0.09 0.00 0.00 178.44 180.20 2f76 h LYS 16 N 0.96 0.44 -0.04 1.13 3.64 0.22 0.31 116.57 123.22 2f76 h LYS 16 Ca 0.21 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2f76 h LYS 16 Cb 0.31 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2f76 h LYS 16 CO -0.00 0.29 -0.08 1.96 -2.27 0.00 0.00 179.45 179.34 2f76 h GLN 17 N 0.45 0.13 0.22 1.90 4.20 -1.19 -0.92 115.11 119.91 2f76 h GLN 17 Ca 0.29 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2f76 h GLN 17 Cb 0.32 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2f76 h GLN 17 CO -0.27 0.66 -0.11 0.00 -0.67 0.00 0.00 178.83 178.45 2f76 h ALA 18 N 0.47 -0.30 -0.60 3.87 0.00 -0.94 -1.71 119.26 120.05 2f76 h ALA 18 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2f76 h ALA 18 Cb 0.65 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2f76 h ALA 18 CO 0.02 -0.66 0.10 -0.07 0.00 0.00 0.00 179.25 178.64 2f76 h LEU 19 N -0.31 0.95 -1.80 0.00 4.07 -0.49 -2.58 115.31 115.15 2f76 h LEU 19 Ca -0.03 -0.26 0.04 0.00 0.08 0.00 0.00 57.88 57.71 2f76 h LEU 19 Cb 0.24 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 2f76 h LEU 19 CO 0.05 0.97 0.22 0.50 -1.08 0.00 0.00 178.44 179.10 2f76 h LYS 20 N 0.90 0.25 0.00 1.13 3.64 -1.02 0.33 116.57 121.80 2f76 h LYS 20 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2f76 h LYS 20 Cb 0.42 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2f76 h LYS 20 CO 0.01 0.17 0.00 1.15 -2.27 0.00 0.00 179.45 178.51 2f76 h THR 21 N 0.26 0.00 -0.01 1.00 2.02 -0.90 -2.34 112.91 112.94 2f76 h THR 21 Ca 0.14 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2f76 h THR 21 Cb 0.23 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2f76 h THR 21 CO -0.03 0.00 -0.27 0.54 0.37 0.00 0.00 175.52 176.13 2f76 n ARG 22 N -2.74 1.16 0.00 6.66 5.12 0.11 -4.91 116.66 122.06 2f76 n ARG 22 Ca 0.01 -0.80 0.00 0.00 -1.93 0.00 0.00 57.85 55.13 2f76 n ARG 22 Cb 0.27 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 2f76 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2f76 n GLY 23 N 1.34 1.61 3.70 -0.13 0.00 -0.88 -4.99 105.19 105.84 2f76 n GLY 23 Ca 0.12 0.00 -0.37 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 5.29 -0.78 1.61 1.01 -0.97 -4.99 120.40 119.56 2f76 s VAL 24 Ca 0.00 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2f76 s VAL 24 Cb 0.00 -3.64 0.23 0.00 0.00 0.00 0.00 36.38 32.97 2f76 s VAL 24 CO 0.00 0.34 0.77 1.17 0.00 0.00 0.00 175.10 177.38 2f76 n LYS 25 N 3.93 2.59 -4.77 2.72 4.81 -1.26 -4.04 118.16 122.14 2f76 n LYS 25 Ca -0.11 -4.56 -0.25 0.00 -0.87 0.00 0.00 58.31 52.51 2f76 n LYS 25 Cb 0.52 -2.34 -0.16 0.00 0.02 0.00 0.00 35.03 33.07 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 -1.94 1.35 0.59 3.15 1.01 -1.26 -5.09 120.40 118.21 2f76 s VAL 26 Ca 0.31 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 2f76 s VAL 26 Cb 0.02 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2f76 s VAL 26 CO -0.08 0.39 1.16 -0.54 0.00 0.00 0.00 175.10 176.04 2f76 s LYS 27 N 0.11 3.08 0.12 2.72 -0.14 -1.26 -4.94 119.74 119.42 2f76 s LYS 27 Ca -0.05 1.67 -0.20 0.00 -1.36 0.00 0.00 55.97 56.02 2f76 s LYS 27 Cb -0.12 -1.96 -0.08 0.00 -1.68 0.00 0.00 37.83 33.99 2f76 s LYS 27 CO 0.02 -1.08 1.77 -0.92 -0.76 0.00 0.00 175.35 174.38 2f76 h TYR 28 N 0.84 0.22 -0.68 3.18 3.20 -1.99 -2.70 116.97 119.05 2f76 h TYR 28 Ca -0.50 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.43 2f76 h TYR 28 Cb 1.27 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.42 2f76 h TYR 28 CO 0.50 0.14 0.39 0.00 -1.64 0.00 0.00 178.16 177.55 2f76 h ALA 29 N 1.06 0.90 -0.49 1.82 0.00 -1.99 -1.57 119.26 118.99 2f76 h ALA 29 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2f76 h ALA 29 Cb -0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.51 2f76 h ALA 29 CO -0.01 0.10 -0.14 -0.44 0.00 0.00 0.00 179.25 178.76 2f76 h ASP 30 N 0.74 -0.50 -0.66 0.00 3.32 -1.86 0.23 116.42 117.69 2f76 h ASP 30 Ca 0.29 0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.42 2f76 h ASP 30 Cb 0.13 0.32 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 2f76 h ASP 30 CO -0.16 -0.17 0.14 -0.07 -1.72 0.00 0.00 179.24 177.26 2f76 h LEU 31 N -0.02 1.03 0.14 1.55 3.38 -1.33 0.15 115.31 120.22 2f76 h LEU 31 Ca 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2f76 h LEU 31 Cb 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2f76 h LEU 31 CO -0.52 1.00 -0.07 0.25 0.09 0.00 0.00 178.44 179.19 2f76 h LEU 32 N 1.02 -0.16 -0.65 1.67 5.85 0.02 0.20 115.31 123.26 2f76 h LEU 32 Ca 0.21 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 2f76 h LEU 32 Cb 0.39 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2f76 h LEU 32 CO 0.01 -0.09 0.05 0.11 -0.34 0.00 0.00 178.44 178.18 2f76 h LYS 33 N -0.22 1.11 -0.58 1.25 1.79 -0.56 -2.49 116.57 116.88 2f76 h LYS 33 Ca -0.02 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 2f76 h LYS 33 Cb 0.17 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 2f76 h LYS 33 CO 0.03 1.04 0.32 0.35 -1.08 0.00 0.00 179.45 180.11 2f76 h PHE 34 N 1.02 0.79 -0.39 -1.35 3.57 -0.41 -0.87 116.94 119.30 2f76 h PHE 34 Ca 0.19 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2f76 h PHE 34 Cb 0.51 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2f76 h PHE 34 CO 0.04 0.58 0.24 0.74 -2.23 0.00 0.00 178.31 177.67 2f76 h PHE 35 N 0.78 0.50 0.00 0.41 0.04 -0.43 -0.62 116.94 117.63 2f76 h PHE 35 Ca 0.20 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.85 2f76 h PHE 35 Cb 0.05 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 2f76 h PHE 35 CO -0.01 0.34 -0.62 -0.44 -0.60 0.00 0.00 178.31 176.98 2f76 h ASP 36 N 0.54 0.00 0.32 2.17 5.19 -0.91 -2.43 116.42 121.30 2f76 h ASP 36 Ca 0.14 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 2f76 h ASP 36 Cb -0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.49 2f76 h ASP 36 CO -0.03 0.62 -0.15 0.15 -3.12 0.00 0.00 179.24 176.71 2f76 h PHE 37 N 0.00 -0.40 -0.17 4.55 3.04 0.26 -0.86 116.94 123.36 2f76 h PHE 37 Ca -0.01 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.88 2f76 h PHE 37 Cb 1.16 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.79 2f76 h PHE 37 CO 0.00 -0.16 -0.13 -0.24 -2.02 0.00 0.00 178.31 175.76 2f76 h VAL 38 N -0.56 1.18 -0.64 1.41 3.04 -1.54 -2.57 116.25 116.57 2f76 h VAL 38 Ca -0.04 -0.81 -0.03 0.00 -1.01 0.00 0.00 66.70 64.80 2f76 h VAL 38 Cb 0.41 1.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.87 2f76 h VAL 38 CO 0.07 0.25 0.28 0.50 -1.01 0.00 0.00 177.57 177.66 2f76 h LYS 39 N 0.25 0.95 -0.35 4.17 3.64 -1.09 3.74 116.57 127.88 2f76 h LYS 39 Ca 0.05 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2f76 h LYS 39 Cb 0.39 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2f76 h LYS 39 CO 0.02 0.79 0.14 -0.44 -2.27 0.00 0.00 179.45 177.69 2f76 h ASP 40 N 0.90 0.49 0.14 4.20 3.32 -0.76 -1.98 116.42 122.72 2f76 h ASP 40 Ca 0.22 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2f76 h ASP 40 Cb 0.18 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2f76 h ASP 40 CO -0.02 0.52 -0.75 0.35 -1.72 0.00 0.00 179.24 177.61 2f76 n THR 41 N -4.69 0.00 -3.07 0.35 -2.24 -1.10 -4.72 114.28 98.82 2f76 n THR 41 Ca -0.01 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.68 2f76 n THR 41 Cb 0.14 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 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 6.15 0.86 -7.43 0.00 0.11 -1.40 -3.17 132.00 127.12 2f76 h PRO 43 Ca 0.07 -0.05 -0.41 0.00 0.11 0.00 0.00 66.00 65.71 2f76 h PRO 43 Cb 1.12 -0.19 0.19 0.00 0.11 0.00 0.00 31.00 32.23 2f76 h PRO 43 CO 0.10 0.57 0.15 1.67 -0.21 0.00 0.00 178.00 180.27 2f76 s TRP 44 N -5.80 0.43 0.00 0.65 -2.14 -1.26 -4.85 118.94 105.97 2f76 s TRP 44 Ca -0.11 0.45 0.00 0.00 2.66 0.00 0.00 56.10 59.10 2f76 s TRP 44 Cb 0.20 -3.51 0.00 0.00 -3.10 0.00 0.00 33.47 27.06 2f76 s TRP 44 CO 0.79 -3.87 0.00 0.34 -2.66 0.00 0.00 176.95 171.55 2f76 n PHE 45 N -4.74 0.00 -1.93 1.66 7.35 -1.26 -4.85 117.46 113.69 2f76 n PHE 45 Ca 0.14 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.44 2f76 n PHE 45 Cb 0.60 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.44 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 3.71 -0.03 -7.13 0.02 -1.26 -4.81 135.00 125.50 2f76 s PRO 46 Ca 0.00 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 2f76 s PRO 46 Cb 0.00 -2.61 0.11 0.00 0.02 0.00 0.00 34.50 32.02 2f76 s PRO 46 CO 0.00 -0.73 1.18 -1.14 -0.33 0.00 0.00 177.00 175.98 2f76 s GLN 47 N -2.46 0.55 0.29 5.54 0.74 -1.26 -5.14 119.66 117.92 2f76 s GLN 47 Ca 0.61 -0.28 0.11 0.00 0.05 0.00 0.00 55.36 55.86 2f76 s GLN 47 Cb -0.40 0.21 -0.05 0.00 1.10 0.00 0.00 33.01 33.86 2f76 s GLN 47 CO 0.50 -0.25 -0.17 -1.21 -0.55 0.00 0.00 175.29 173.61 2f76 s GLU 48 N -2.63 1.70 0.00 1.67 2.02 -1.26 -4.78 118.70 115.42 2f76 s GLU 48 Ca 0.12 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.30 2f76 s GLU 48 Cb 0.02 -1.73 0.00 0.00 0.10 0.00 0.00 34.13 32.52 2f76 s GLU 48 CO -0.03 0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2f76 n GLY 49 N -0.66 0.90 3.54 -1.39 0.00 -1.26 -4.94 105.19 101.38 2f76 n GLY 49 Ca -0.05 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 2f76 n GLY 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2f76 n THR 50 N 0.00 0.00 -1.25 2.61 -1.04 -1.26 -4.65 114.28 108.70 2f76 n THR 50 Ca 0.00 -0.20 -0.54 0.00 -2.04 0.00 0.00 64.05 61.27 2f76 n THR 50 Cb 0.00 -0.91 -0.12 0.00 -1.82 0.00 0.00 70.33 67.48 2f76 n THR 50 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2f76 n ILE 51 N -4.43 0.00 -0.04 12.58 5.41 -1.26 -4.78 119.36 126.85 2f76 n ILE 51 Ca 0.07 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.67 2f76 n ILE 51 Cb 0.54 -0.48 -0.04 0.00 -0.71 0.00 0.00 39.64 38.95 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 9.22 0.89 0.00 4.38 3.58 -1.86 -2.93 116.42 129.70 2f76 h ASP 52 Ca -0.09 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.83 2f76 h ASP 52 Cb 1.34 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2f76 h ASP 52 CO 1.10 1.32 0.05 0.40 -2.88 0.00 0.00 179.24 179.24 2f76 h ILE 53 N 0.56 0.00 -0.61 2.25 2.04 -1.87 -1.87 117.51 118.01 2f76 h ILE 53 Ca -0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2f76 h ILE 53 Cb 1.27 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 2f76 h ILE 53 CO 0.14 0.00 0.32 0.50 0.00 0.00 0.00 178.15 179.10 2f76 h LYS 54 N 0.00 0.57 -0.55 2.37 3.64 -1.88 0.15 116.57 120.86 2f76 h LYS 54 Ca 0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 2f76 h LYS 54 Cb 0.11 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2f76 h LYS 54 CO 0.00 0.38 0.04 0.00 -2.27 0.00 0.00 179.45 177.60 2f76 h ARG 55 N 0.59 0.92 -0.48 1.90 3.08 -1.53 -0.64 114.38 118.23 2f76 h ARG 55 Ca 0.28 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2f76 h ARG 55 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2f76 h ARG 55 CO -0.19 0.89 0.05 2.35 -1.07 0.00 0.00 179.97 182.00 2f76 h TRP 56 N 0.86 0.86 -0.28 3.04 7.01 -1.30 -2.70 115.95 123.44 2f76 h TRP 56 Ca 0.17 -0.13 -0.08 0.00 2.11 0.00 0.00 58.89 60.96 2f76 h TRP 56 Cb 0.45 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 2f76 h TRP 56 CO 0.03 0.81 -0.16 0.00 -2.79 0.00 0.00 178.44 176.33 2f76 h ARG 57 N 0.67 0.49 -0.68 2.65 -0.00 -0.53 -2.78 114.38 114.19 2f76 h ARG 57 Ca 0.14 -0.15 0.01 0.00 -0.50 0.00 0.00 59.98 59.48 2f76 h ARG 57 Cb 0.43 -0.05 -0.04 0.00 0.00 0.00 0.00 29.97 30.32 2f76 h ARG 57 CO 0.01 0.64 0.45 0.00 0.00 0.00 0.00 179.97 181.07 2f76 h ARG 58 N 0.45 0.89 -0.42 0.04 3.08 -0.81 0.49 114.38 118.11 2f76 h ARG 58 Ca 0.08 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2f76 h ARG 58 Cb 0.54 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2f76 h ARG 58 CO 0.03 0.59 0.22 0.28 -1.07 0.00 0.00 179.97 180.02 2f76 h VAL 59 N 0.92 1.16 0.13 2.04 2.07 -1.23 -1.92 116.25 119.41 2f76 h VAL 59 Ca 0.25 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2f76 h VAL 59 Cb -0.09 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2f76 h VAL 59 CO -0.06 0.17 -0.06 1.23 0.02 0.00 0.00 177.57 178.87 2f76 h GLY 60 N 0.54 -0.18 -0.35 2.17 0.00 -1.20 0.56 103.07 104.61 2f76 h GLY 60 Ca 0.15 0.06 0.26 0.00 0.00 0.00 0.00 47.33 47.80 2f76 h GLY 60 CO -0.02 -0.06 0.47 -0.55 0.00 0.00 0.00 176.54 176.37 2f76 h ASP 61 N -0.53 0.41 0.16 0.19 3.32 0.06 1.84 116.42 121.88 2f76 h ASP 61 Ca -0.02 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2f76 h ASP 61 Cb 0.42 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2f76 h ASP 61 CO 0.03 -0.05 -0.08 0.00 -1.72 0.00 0.00 179.24 177.42 2f76 h PHE 63 N -0.94 0.46 -0.88 0.00 0.04 -0.43 -2.69 116.94 112.50 2f76 h PHE 63 Ca -0.02 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.76 2f76 h PHE 63 Cb 0.17 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 2f76 h PHE 63 CO 0.01 0.35 0.58 -0.56 -0.60 0.00 0.00 178.31 178.08 2f76 h GLN 64 N 0.43 1.14 -0.32 1.51 3.07 0.27 0.24 115.11 121.45 2f76 h GLN 64 Ca 0.12 -0.07 0.03 0.00 0.09 0.00 0.00 58.65 58.82 2f76 h GLN 64 Cb 0.03 -0.26 -0.03 0.00 0.08 0.00 0.00 27.48 27.30 2f76 h GLN 64 CO -0.02 0.75 0.14 0.22 0.09 0.00 0.00 178.83 180.02 2f76 h ASP 65 N 1.17 0.20 -0.06 0.06 3.58 -1.15 0.30 116.42 120.52 2f76 h ASP 65 Ca 0.33 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.71 2f76 h ASP 65 Cb -0.10 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2f76 h ASP 65 CO -0.08 0.15 -0.34 1.88 -2.88 0.00 0.00 179.24 177.97 2f76 h TYR 66 N 0.31 0.45 -0.57 0.28 0.05 -1.26 -2.47 116.97 113.76 2f76 h TYR 66 Ca 0.14 -0.20 0.04 0.00 0.05 0.00 0.00 58.73 58.76 2f76 h TYR 66 Cb 0.07 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 37.70 2f76 h TYR 66 CO -0.11 0.95 0.31 1.88 -1.05 0.00 0.00 178.16 180.15 2f76 h TYR 67 N -0.19 0.58 -0.61 4.88 -1.99 -0.39 0.21 116.97 119.46 2f76 h TYR 67 Ca -0.03 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.67 2f76 h TYR 67 Cb 1.01 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.53 2f76 h TYR 67 CO 0.14 0.30 0.18 -0.91 -0.00 0.00 0.00 178.16 177.86 2f76 h ASN 68 N 0.60 0.89 -0.17 3.88 2.35 -0.25 0.40 115.58 123.29 2f76 h ASN 68 Ca 0.25 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2f76 h ASN 68 Cb 0.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2f76 h ASN 68 CO -0.15 0.87 0.06 0.74 -1.65 0.00 0.00 177.43 177.31 2f76 h THR 69 N 0.87 1.16 -0.62 2.81 2.02 -0.87 -2.99 112.91 115.29 2f76 h THR 69 Ca 0.20 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2f76 h THR 69 Cb 0.30 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2f76 h THR 69 CO -0.00 0.15 0.32 -0.26 0.37 0.00 0.00 175.52 176.10 2f76 h PHE 70 N 0.11 0.88 0.00 3.16 0.04 -0.47 -3.47 116.94 117.19 2f76 h PHE 70 Ca 0.06 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2f76 h PHE 70 Cb 0.18 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.06 2f76 h PHE 70 CO -0.01 0.65 0.00 0.41 -0.60 0.00 0.00 178.31 178.76 2f76 n GLY 71 N -1.00 1.21 3.52 -1.45 0.00 -0.00 -5.10 105.19 102.37 2f76 n GLY 71 Ca 0.04 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 0.33 -0.09 1.61 -0.02 -0.43 -4.72 135.00 131.68 2f76 n PRO 72 Ca 0.00 -0.02 0.11 0.00 -2.02 0.00 0.00 63.50 61.57 2f76 n PRO 72 Cb 0.00 -2.12 0.36 0.00 -0.02 0.00 0.00 33.50 31.72 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 8.55 1.82 -0.33 -0.52 0.28 -1.26 -2.83 120.64 126.35 2f76 n GLU 73 Ca 0.57 -1.24 0.28 0.00 -0.16 0.00 0.00 57.16 56.61 2f76 n GLU 73 Cb 0.20 -1.41 0.52 0.00 1.43 0.00 0.00 31.44 32.18 2f76 n GLU 73 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2f76 h LYS 74 N 2.52 0.02 -3.32 3.44 3.64 -1.93 -2.68 116.57 118.25 2f76 h LYS 74 Ca 0.00 -0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.73 2f76 h LYS 74 Cb 0.55 -0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 31.97 2f76 h LYS 74 CO 0.00 0.01 -0.52 0.08 -2.27 0.00 0.00 179.45 176.75 2f76 s VAL 75 N -5.63 3.01 0.46 2.00 1.01 -1.26 -4.61 120.40 115.37 2f76 s VAL 75 Ca -0.10 -3.60 -0.24 0.00 0.00 0.00 0.00 61.98 58.04 2f76 s VAL 75 Cb 0.33 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 2f76 s VAL 75 CO 0.78 -0.90 1.17 -2.65 0.00 0.00 0.00 175.10 173.50 2f76 n PRO 76 N 2.76 1.60 0.22 2.72 -0.02 -1.01 -4.74 135.00 136.53 2f76 n PRO 76 Ca 0.11 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.27 2f76 n PRO 76 Cb 0.34 -2.28 0.42 0.00 -0.02 0.00 0.00 33.50 31.96 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 1.65 0.51 0.00 -1.45 -1.51 -1.91 -3.13 116.25 110.41 2f76 h VAL 77 Ca -0.47 -1.17 0.00 0.00 -1.23 0.00 0.00 66.70 63.82 2f76 h VAL 77 Cb 1.32 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 2f76 h VAL 77 CO 0.57 0.22 0.43 0.35 -1.23 0.00 0.00 177.57 177.92 2f76 n THR 78 N -3.34 0.47 0.29 7.19 -2.24 -1.26 0.25 114.28 115.64 2f76 n THR 78 Ca 0.01 0.66 0.13 0.00 -2.27 0.00 0.00 64.05 62.58 2f76 n THR 78 Cb 0.45 -1.66 0.84 0.00 -2.10 0.00 0.00 70.33 67.86 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 0.70 1.56 -0.09 6.98 0.00 -1.93 -2.48 119.26 124.00 2f76 h ALA 79 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2f76 h ALA 79 Cb 0.86 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2f76 h ALA 79 CO 0.00 0.03 0.05 0.35 0.00 0.00 0.00 179.25 179.68 2f76 h PHE 80 N 0.00 0.12 -0.04 0.00 3.04 -0.50 0.21 116.94 119.78 2f76 h PHE 80 Ca -0.00 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2f76 h PHE 80 Cb 0.06 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.53 2f76 h PHE 80 CO 0.00 0.15 0.01 0.77 -2.02 0.00 0.00 178.31 177.22 2f76 h SER 81 N 0.07 0.06 -0.14 0.41 0.02 -1.66 -2.53 113.55 109.77 2f76 h SER 81 Ca 0.03 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2f76 h SER 81 Cb 0.06 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2f76 h SER 81 CO -0.01 0.25 0.08 1.88 -1.14 0.00 0.00 176.83 177.89 2f76 h TYR 82 N -0.14 0.22 -0.55 3.45 0.05 -1.45 -0.44 116.97 118.11 2f76 h TYR 82 Ca 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 2f76 h TYR 82 Cb 0.21 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 2f76 h TYR 82 CO -0.00 0.17 0.17 2.35 -1.05 0.00 0.00 178.16 179.80 2f76 h TRP 83 N 0.23 0.84 -0.85 4.88 7.01 -0.19 -2.06 115.95 125.81 2f76 h TRP 83 Ca 0.06 -0.06 0.12 0.00 2.11 0.00 0.00 58.89 61.12 2f76 h TRP 83 Cb 0.03 -0.25 -0.08 0.00 -2.10 0.00 0.00 29.16 26.76 2f76 h TRP 83 CO 0.00 0.69 0.47 -0.97 -2.79 0.00 0.00 178.44 175.84 2f76 h ASN 84 N 0.80 0.63 -0.81 2.65 -0.73 -0.67 0.18 115.58 117.63 2f76 h ASN 84 Ca 0.18 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.39 2f76 h ASN 84 Cb 0.24 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 38.75 2f76 h ASN 84 CO -0.01 0.31 0.39 -0.07 -0.37 0.00 0.00 177.43 177.69 2f76 h LEU 85 N 0.73 1.05 -0.58 0.34 -0.00 -1.37 -2.66 115.31 112.82 2f76 h LEU 85 Ca 0.44 -0.13 -0.04 0.00 -0.00 0.00 0.00 57.88 58.15 2f76 h LEU 85 Cb 0.52 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.89 2f76 h LEU 85 CO -0.30 0.89 0.21 0.40 -0.00 0.00 0.00 178.44 179.63 2f76 h ILE 86 N 1.14 1.23 -0.60 1.22 2.04 -0.57 -1.78 117.51 120.20 2f76 h ILE 86 Ca 0.28 -0.76 0.10 0.00 1.00 0.00 0.00 64.86 65.48 2f76 h ILE 86 Cb 0.11 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 2f76 h ILE 86 CO -0.04 0.29 0.19 0.11 0.00 0.00 0.00 178.15 178.70 2f76 h LYS 87 N 0.82 0.34 -0.24 2.37 1.57 -0.54 0.17 116.57 121.06 2f76 h LYS 87 Ca 0.19 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 2f76 h LYS 87 Cb 0.24 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2f76 h LYS 87 CO -0.01 0.22 -0.25 0.93 -0.57 0.00 0.00 179.45 179.77 2f76 h GLU 88 N 0.35 0.46 0.00 3.15 5.08 -1.28 0.40 114.58 122.74 2f76 h GLU 88 Ca 0.31 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2f76 h GLU 88 Cb 0.41 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2f76 h GLU 88 CO -0.34 0.68 -0.00 1.25 -1.00 0.00 0.00 179.01 179.60 2f76 h LEU 89 N 0.41 -0.00 -0.26 1.33 5.85 0.05 -0.41 115.31 122.27 2f76 h LEU 89 Ca 0.06 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 2f76 h LEU 89 Cb 0.66 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2f76 h LEU 89 CO 0.05 0.28 -0.24 0.40 -0.34 0.00 0.00 178.44 178.59 2f76 h ILE 90 N -0.29 1.31 -0.05 4.05 2.04 -0.74 -0.57 117.51 123.25 2f76 h ILE 90 Ca -0.00 -1.40 0.01 0.00 1.00 0.00 0.00 64.86 64.47 2f76 h ILE 90 Cb 0.29 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2f76 h ILE 90 CO 0.00 0.44 -0.03 -0.78 0.00 0.00 0.00 178.15 177.78 2f76 h ASP 91 N 0.35 -0.10 -0.54 1.72 1.82 -0.93 0.47 116.42 119.21 2f76 h ASP 91 Ca 0.04 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 2f76 h ASP 91 Cb 0.80 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 2f76 h ASP 91 CO 0.06 -0.04 0.12 0.11 -1.61 0.00 0.00 179.24 177.87 2f76 h LYS 92 N -0.03 0.88 -0.69 0.28 1.57 -1.08 -2.94 116.57 114.55 2f76 h LYS 92 Ca 0.03 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2f76 h LYS 92 Cb 0.08 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2f76 h LYS 92 CO -0.07 0.83 0.21 -0.22 -0.57 0.00 0.00 179.45 179.64 2f76 h LYS 93 N 0.77 1.07 0.00 3.15 3.64 -0.76 -1.80 116.57 122.64 2f76 h LYS 93 Ca 0.17 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2f76 h LYS 93 Cb 0.36 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2f76 h LYS 93 CO 0.00 0.93 0.33 -1.91 -2.27 0.00 0.00 179.45 176.53 2f76 n GLU 94 N -4.31 0.06 -4.72 1.90 2.13 0.16 -4.22 120.64 111.64 2f76 n GLU 94 Ca 0.05 0.48 -0.33 0.00 0.66 0.00 0.00 57.16 58.02 2f76 n GLU 94 Cb 0.22 -2.02 -0.14 0.00 0.27 0.00 0.00 31.44 29.77 2f76 n GLU 94 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2f76 s VAL 95 N -3.08 3.21 -0.53 6.31 1.01 -0.68 -5.06 120.40 121.59 2f76 s VAL 95 Ca -0.01 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.42 2f76 s VAL 95 Cb 0.02 -2.35 0.21 0.00 0.00 0.00 0.00 36.38 34.26 2f76 s VAL 95 CO 0.08 0.53 0.52 -3.20 0.00 0.00 0.00 175.10 173.02 2f76 n ASN 96 N 3.37 1.51 0.05 3.32 4.05 -1.26 -4.91 115.26 121.40 2f76 n ASN 96 Ca -0.18 -2.90 0.13 0.00 0.45 0.00 0.00 54.58 52.08 2f76 n ASN 96 Cb 0.53 -0.65 0.46 0.00 1.23 0.00 0.00 39.78 41.35 2f76 n ASN 96 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2f76 n PRO 97 N 1.81 0.15 0.00 1.20 -0.04 -1.26 -4.92 135.00 131.94 2f76 n PRO 97 Ca 0.25 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2f76 n PRO 97 Cb 0.44 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 2f76 n PRO 97 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2f76 n GLN 98 N -1.90 0.00 -5.14 0.54 6.02 -1.26 -4.28 117.38 111.35 2f76 n GLN 98 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.74 2f76 n GLN 98 Cb 0.39 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.48 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 1.91 0.00 5.09 1.01 -1.26 -5.32 120.40 121.83 2f76 s VAL 99 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2f76 s VAL 99 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2f76 s VAL 99 CO 0.00 0.53 0.00 0.23 0.00 0.00 0.00 175.10 175.86