#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbv h ILE 29 N 0.00 1.23 -0.63 6.31 2.04 -2.05 -0.45 117.51 123.96 2qbv h ILE 29 Ca 0.00 -0.44 0.13 0.00 1.00 0.00 0.00 64.86 65.55 2qbv h ILE 29 Cb 0.00 -0.16 -0.10 0.00 -0.74 0.00 0.00 36.82 35.82 2qbv h ILE 29 CO 0.00 0.23 0.09 0.44 0.00 0.00 0.00 178.15 178.92 2qbv h ASP 30 N 1.28 -0.09 0.32 1.72 5.19 -2.05 -0.08 116.42 122.72 2qbv h ASP 30 Ca 0.36 0.13 -0.22 0.00 -0.62 0.00 0.00 57.03 56.68 2qbv h ASP 30 Cb -0.12 0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2qbv h ASP 30 CO -0.08 -0.04 -0.89 0.71 -3.12 0.00 0.00 179.24 175.81 2qbv h THR 31 N 0.21 1.40 -0.22 0.35 1.35 -1.87 -1.56 112.91 112.57 2qbv h THR 31 Ca 0.33 -2.39 -0.01 0.00 -0.55 0.00 0.00 66.41 63.80 2qbv h THR 31 Cb 0.53 2.35 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 2qbv h THR 31 CO -0.46 0.71 0.10 -0.07 -0.25 0.00 0.00 175.52 175.55 2qbv h LEU 32 N 0.24 0.29 -0.78 3.87 4.07 -0.93 -2.07 115.31 120.00 2qbv h LEU 32 Ca -0.07 -0.14 0.11 0.00 0.08 0.00 0.00 57.88 57.86 2qbv h LEU 32 Cb 1.52 -0.08 -0.08 0.00 1.08 0.00 0.00 40.66 43.10 2qbv h LEU 32 CO 0.15 0.35 0.41 0.03 -1.08 0.00 0.00 178.44 178.31 2qbv h ARG 33 N 0.22 0.64 -0.39 1.13 3.08 -0.95 -0.65 114.38 117.46 2qbv h ARG 33 Ca 0.07 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2qbv h ARG 33 Cb 0.14 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2qbv h ARG 33 CO -0.01 0.43 0.16 0.93 -1.07 0.00 0.00 179.97 180.41 2qbv h GLU 34 N 0.66 0.54 0.00 0.04 5.08 -1.18 -0.80 114.58 118.93 2qbv h GLU 34 Ca 0.40 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.46 2qbv h GLU 34 Cb 0.44 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2qbv h GLU 34 CO -0.29 0.44 -0.96 1.49 -1.00 0.00 0.00 179.01 178.69 2qbv h GLU 35 N 0.54 0.47 -0.58 2.33 4.57 -0.56 -2.77 114.58 118.57 2qbv h GLU 35 Ca 0.14 -0.51 0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2qbv h GLU 35 Cb 0.10 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 2qbv h GLU 35 CO -0.02 1.15 0.38 0.82 -1.18 0.00 0.00 179.01 180.17 2qbv h ILE 36 N 0.26 1.15 -0.97 2.32 1.08 -0.75 -2.24 117.51 118.37 2qbv h ILE 36 Ca -0.09 -0.28 0.13 0.00 -0.39 0.00 0.00 64.86 64.23 2qbv h ILE 36 Cb 1.60 0.30 -0.08 0.00 -3.07 0.00 0.00 36.82 35.57 2qbv h ILE 36 CO 0.17 0.15 0.61 0.44 -0.69 0.00 0.00 178.15 178.83 2qbv h ASP 37 N 0.79 0.85 0.19 1.72 3.32 -1.04 0.84 116.42 123.09 2qbv h ASP 37 Ca 0.21 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2qbv h ASP 37 Cb -0.09 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.34 2qbv h ASP 37 CO -0.05 0.44 -0.09 0.03 -1.72 0.00 0.00 179.24 177.86 2qbv h ARG 38 N 0.91 -0.24 -0.82 3.56 3.08 -1.19 -1.82 114.38 117.86 2qbv h ARG 38 Ca 0.48 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.57 2qbv h ARG 38 Cb 0.56 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 2qbv h ARG 38 CO -0.25 -0.04 0.53 -0.07 -1.07 0.00 0.00 179.97 179.07 2qbv h LEU 39 N -0.41 0.89 -0.53 3.04 3.38 -1.15 -1.18 115.31 119.34 2qbv h LEU 39 Ca -0.03 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2qbv h LEU 39 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2qbv h LEU 39 CO 0.04 0.63 0.04 0.44 0.09 0.00 0.00 178.44 179.68 2qbv h ASP 40 N 1.05 0.89 -0.66 -0.43 3.32 -0.82 -0.34 116.42 119.44 2qbv h ASP 40 Ca 0.32 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 57.11 2qbv h ASP 40 Cb -0.04 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 2qbv h ASP 40 CO -0.10 0.96 0.40 0.00 -1.72 0.00 0.00 179.24 178.78 2qbv h ALA 41 N 0.97 0.86 -0.33 3.45 0.00 -0.98 0.47 119.26 123.69 2qbv h ALA 41 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2qbv h ALA 41 Cb 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qbv h ALA 41 CO 0.02 0.14 0.06 0.93 0.00 0.00 0.00 179.25 180.40 2qbv h GLU 42 N 0.77 0.54 -0.29 0.00 4.39 -1.04 -2.46 114.58 116.49 2qbv h GLU 42 Ca 0.27 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 2qbv h GLU 42 Cb 0.05 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2qbv h GLU 42 CO -0.12 0.62 0.08 0.82 -1.16 0.00 0.00 179.01 179.26 2qbv h ILE 43 N 0.37 1.21 -0.22 3.13 2.04 -1.00 -1.59 117.51 121.45 2qbv h ILE 43 Ca 0.10 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 2qbv h ILE 43 Cb 0.34 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2qbv h ILE 43 CO 0.01 0.22 0.13 0.25 0.00 0.00 0.00 178.15 178.76 2qbv h LEU 44 N 0.30 0.26 -0.39 1.44 5.85 -0.88 0.06 115.31 121.95 2qbv h LEU 44 Ca 0.09 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.85 2qbv h LEU 44 Cb 0.26 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 2qbv h LEU 44 CO -0.00 0.23 -0.11 0.00 -0.34 0.00 0.00 178.44 178.22 2qbv h ALA 45 N 1.05 0.24 -0.64 1.25 0.00 -1.36 -0.41 119.26 119.38 2qbv h ALA 45 Ca 0.08 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2qbv h ALA 45 Cb 0.01 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2qbv h ALA 45 CO -0.02 -0.47 0.12 -0.07 0.00 0.00 0.00 179.25 178.82 2qbv h LEU 46 N -0.02 1.00 -0.34 0.00 3.38 -0.76 -2.15 115.31 116.41 2qbv h LEU 46 Ca 0.19 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2qbv h LEU 46 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2qbv h LEU 46 CO -0.41 0.99 -0.04 0.58 0.09 0.00 0.00 178.44 179.65 2qbv h VAL 47 N 0.96 1.27 -0.28 1.22 2.07 -0.88 0.60 116.25 121.21 2qbv h VAL 47 Ca 0.20 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.71 2qbv h VAL 47 Cb 0.41 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2qbv h VAL 47 CO 0.01 0.35 -0.08 0.11 0.02 0.00 0.00 177.57 177.98 2qbv h LYS 48 N 0.42 -0.01 -0.73 1.57 1.57 -1.04 -1.84 116.57 116.51 2qbv h LYS 48 Ca 0.09 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2qbv h LYS 48 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2qbv h LYS 48 CO 0.03 -0.01 0.19 -0.09 -0.57 0.00 0.00 179.45 179.00 2qbv h ARG 49 N -0.01 1.15 -0.96 3.15 2.43 -1.25 -2.75 114.38 116.13 2qbv h ARG 49 Ca 0.14 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2qbv h ARG 49 Cb 0.22 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 2qbv h ARG 49 CO -0.30 1.00 0.64 -0.09 -1.51 0.00 0.00 179.97 179.71 2qbv h ARG 50 N 1.09 1.24 -0.74 0.20 2.43 -0.76 -1.17 114.38 116.68 2qbv h ARG 50 Ca 0.23 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2qbv h ARG 50 Cb 0.36 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2qbv h ARG 50 CO -0.00 0.82 0.29 0.00 -1.51 0.00 0.00 179.97 179.57 2qbv h ALA 51 N 1.37 0.96 -0.32 2.80 0.00 -1.15 0.11 119.26 123.04 2qbv h ALA 51 Ca 0.36 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2qbv h ALA 51 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2qbv h ALA 51 CO -0.09 0.59 -0.13 0.93 0.00 0.00 0.00 179.25 180.55 2qbv h GLU 52 N 1.07 0.65 -0.87 0.00 4.39 -1.19 -1.63 114.58 117.00 2qbv h GLU 52 Ca 0.24 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2qbv h GLU 52 Cb 0.22 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2qbv h GLU 52 CO -0.02 0.86 0.53 0.28 -1.16 0.00 0.00 179.01 179.50 2qbv h VAL 53 N 0.41 1.24 -0.34 3.13 2.07 -1.13 -1.93 116.25 119.69 2qbv h VAL 53 Ca 0.07 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 2qbv h VAL 53 Cb 0.65 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2qbv h VAL 53 CO 0.04 0.25 0.03 0.28 0.02 0.00 0.00 177.57 178.19 2qbv h SER 54 N 1.19 0.57 -0.35 0.57 0.02 -0.75 -1.05 113.55 113.75 2qbv h SER 54 Ca 0.31 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2qbv h SER 54 Cb -0.06 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2qbv h SER 54 CO -0.06 0.71 0.10 0.11 -1.14 0.00 0.00 176.83 176.55 2qbv h LYS 55 N 0.41 0.64 -0.17 3.45 1.57 -1.29 -0.76 116.57 120.42 2qbv h LYS 55 Ca 0.10 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2qbv h LYS 55 Cb 0.40 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2qbv h LYS 55 CO 0.01 0.59 0.10 0.00 -0.57 0.00 0.00 179.45 179.57 2qbv h ALA 56 N 1.49 0.22 -0.83 3.86 0.00 -0.82 -1.34 119.26 121.83 2qbv h ALA 56 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2qbv h ALA 56 Cb 0.24 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2qbv h ALA 56 CO -0.00 -0.26 0.53 0.82 0.00 0.00 0.00 179.25 180.34 2qbv h ILE 57 N 0.18 1.13 -0.14 0.00 2.04 -0.98 -1.65 117.51 118.08 2qbv h ILE 57 Ca 0.06 -0.35 -0.18 0.00 1.00 0.00 0.00 64.86 65.39 2qbv h ILE 57 Cb 0.06 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2qbv h ILE 57 CO -0.01 0.19 -0.64 1.23 0.00 0.00 0.00 178.15 178.92 2qbv h GLY 58 N 1.03 0.58 0.95 5.37 0.00 -1.05 -0.87 103.07 109.09 2qbv h GLY 58 Ca 0.33 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2qbv h GLY 58 CO -0.12 0.66 -0.19 0.50 0.00 0.00 0.00 176.54 177.40 2qbv h LYS 59 N 0.39 -0.51 -0.55 4.80 1.57 -1.11 -0.60 116.57 120.56 2qbv h LYS 59 Ca -0.01 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 2qbv h LYS 59 Cb 1.20 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 2qbv h LYS 59 CO 0.12 -0.31 0.37 0.00 -0.57 0.00 0.00 179.45 179.06 2qbv h ALA 60 N 0.01 2.03 0.11 3.86 0.00 -1.24 -1.10 119.26 122.92 2qbv h ALA 60 Ca -0.05 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 2qbv h ALA 60 Cb 0.44 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.17 2qbv h ALA 60 CO 0.09 -0.15 -1.20 -0.09 0.00 0.00 0.00 179.25 177.90 2qbv h ARG 61 N 0.37 0.49 0.00 0.00 2.43 -1.02 -3.12 114.38 113.52 2qbv h ARG 61 Ca 0.25 -0.67 -0.06 0.00 -0.81 0.00 0.00 59.98 58.69 2qbv h ARG 61 Cb 0.50 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2qbv h ARG 61 CO -0.06 1.29 -0.30 0.52 -1.51 0.00 0.00 179.97 179.91 2qbv h MET 62 N 0.21 0.00 0.00 0.20 2.86 -0.77 -1.65 114.93 115.78 2qbv h MET 62 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2qbv h MET 62 Cb 1.87 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.53 2qbv h MET 62 CO 0.22 0.30 0.00 0.00 1.06 0.00 0.00 176.91 178.49 2qbv h ALA 63 N 1.70 1.00 -0.23 6.32 0.00 -1.26 -2.67 119.26 124.13 2qbv h ALA 63 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbv h ALA 63 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2qbv h ALA 63 CO 0.04 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.72 2qbv n SER 64 N -2.66 2.98 -1.41 0.00 7.64 -1.00 -4.98 113.62 114.19 2qbv n SER 64 Ca 0.02 -1.88 -0.11 0.00 1.01 0.00 0.00 58.87 57.92 2qbv n SER 64 Cb 0.32 -0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 2qbv n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbv n GLY 65 N 1.17 0.86 3.74 0.23 0.00 -0.89 -4.94 105.19 105.36 2qbv n GLY 65 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2qbv n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbv s GLY 66 N -1.90 2.76 0.14 -0.02 0.00 -0.67 -5.00 107.32 102.63 2qbv s GLY 66 Ca 0.00 1.10 -0.30 0.00 0.00 0.00 0.00 44.72 45.52 2qbv s GLY 66 CO 0.00 1.51 0.96 -1.59 0.00 0.00 0.00 173.10 173.98 2qbv s THR 67 N -1.53 4.39 0.40 0.90 2.01 -1.26 -4.74 115.64 115.81 2qbv s THR 67 Ca 0.80 2.07 -0.26 0.00 0.31 0.00 0.00 61.69 64.62 2qbv s THR 67 Cb -0.34 -4.32 -0.08 0.00 0.01 0.00 0.00 72.50 67.76 2qbv s THR 67 CO 0.38 0.36 1.22 -0.60 -0.69 0.00 0.00 174.62 175.28 2qbv s ARG 68 N -0.28 4.03 -1.26 4.92 3.52 -1.26 -4.90 118.95 123.71 2qbv s ARG 68 Ca 0.46 1.95 -0.05 0.00 -0.13 0.00 0.00 55.73 57.95 2qbv s ARG 68 Cb -0.24 -2.72 0.16 0.00 -1.56 0.00 0.00 34.95 30.60 2qbv s ARG 68 CO 0.30 -0.37 2.18 1.28 -0.81 0.00 0.00 175.30 177.89 2qbv n LEU 69 N 0.12 7.67 -0.01 -0.88 4.77 -1.26 -4.73 117.00 122.68 2qbv n LEU 69 Ca 0.04 -4.94 -0.13 0.00 -0.03 0.00 0.00 56.01 50.95 2qbv n LEU 69 Cb 0.45 -1.35 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 2qbv n LEU 69 CO 0.53 1.94 0.60 0.58 -1.33 0.00 0.00 177.39 179.70 2qbv h VAL 70 N 2.76 1.38 0.00 4.08 2.07 -1.96 -1.73 116.25 122.85 2qbv h VAL 70 Ca 0.61 -1.24 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 2qbv h VAL 70 Cb 0.37 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2qbv h VAL 70 CO 1.45 0.32 -0.28 0.45 0.02 0.00 0.00 177.57 179.53 2qbv h HIS 71 N -0.56 0.00 0.00 1.57 3.86 -1.97 -3.01 115.15 115.03 2qbv h HIS 71 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2qbv h HIS 71 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 2qbv h HIS 71 CO 0.11 0.28 0.00 -1.13 0.86 0.00 0.00 177.93 178.05 2qbv n SER 72 N -3.19 0.00 0.08 2.45 3.41 -1.24 -4.45 113.62 110.68 2qbv n SER 72 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 2qbv n SER 72 Cb 0.63 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 2qbv n SER 72 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2qbv h ARG 73 N 0.00 -0.52 -0.42 4.33 9.65 -1.75 -1.96 114.38 123.71 2qbv h ARG 73 Ca 0.00 0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.87 2qbv h ARG 73 Cb 0.00 0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 2qbv h ARG 73 CO 0.00 -0.35 0.07 0.93 2.80 0.00 0.00 179.97 183.42 2qbv h GLU 74 N -0.54 0.64 -0.71 0.20 5.08 -1.38 -1.71 114.58 116.16 2qbv h GLU 74 Ca 0.05 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2qbv h GLU 74 Cb 0.61 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2qbv h GLU 74 CO -0.26 0.62 0.23 1.98 -1.00 0.00 0.00 179.01 180.57 2qbv h MET 75 N 0.62 1.10 -0.02 2.33 4.05 -1.40 -1.64 114.93 119.97 2qbv h MET 75 Ca 0.14 -0.23 -0.07 0.00 -0.28 0.00 0.00 59.70 59.26 2qbv h MET 75 Cb 0.29 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 2qbv h MET 75 CO 0.00 0.94 -0.30 0.87 0.23 0.00 0.00 176.91 178.66 2qbv h LYS 76 N 1.04 0.04 -0.07 0.39 1.79 -0.54 -0.34 116.57 118.89 2qbv h LYS 76 Ca 0.23 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 2qbv h LYS 76 Cb 0.29 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2qbv h LYS 76 CO -0.01 0.34 0.00 0.28 -1.08 0.00 0.00 179.45 178.98 2qbv h VAL 77 N 0.04 1.24 -0.48 0.50 2.07 -1.08 -2.06 116.25 116.47 2qbv h VAL 77 Ca 0.00 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.84 2qbv h VAL 77 Cb 0.55 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 2qbv h VAL 77 CO 0.04 0.20 0.21 0.40 0.02 0.00 0.00 177.57 178.44 2qbv h ILE 78 N -0.15 0.90 -0.35 4.57 2.04 -1.14 -2.95 117.51 120.42 2qbv h ILE 78 Ca 0.02 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.81 2qbv h ILE 78 Cb 0.32 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2qbv h ILE 78 CO 0.00 0.08 -0.05 -0.33 0.00 0.00 0.00 178.15 177.85 2qbv h GLU 79 N 0.41 0.04 -0.82 2.37 5.08 -0.93 -1.74 114.58 118.99 2qbv h GLU 79 Ca 0.22 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2qbv h GLU 79 Cb 0.18 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2qbv h GLU 79 CO -0.19 0.03 0.52 0.00 -1.00 0.00 0.00 179.01 178.36 2qbv h ARG 80 N 0.04 0.95 0.00 2.33 3.08 -1.23 -2.45 114.38 117.10 2qbv h ARG 80 Ca 0.17 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2qbv h ARG 80 Cb 0.25 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2qbv h ARG 80 CO -0.33 0.63 0.00 1.88 -1.07 0.00 0.00 179.97 181.08 2qbv h TYR 81 N 0.98 0.00 0.00 3.04 -1.99 -1.28 -3.27 116.97 114.46 2qbv h TYR 81 Ca 0.34 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.07 2qbv h TYR 81 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.81 2qbv h TYR 81 CO -0.03 0.00 0.00 0.43 -0.00 0.00 0.00 178.16 178.56 2qbv n SER 82 N -2.42 0.26 0.22 3.88 7.64 -0.70 -1.73 113.62 120.77 2qbv n SER 82 Ca 0.04 0.54 0.15 0.00 1.01 0.00 0.00 58.87 60.62 2qbv n SER 82 Cb 0.38 -0.61 0.78 0.00 -1.01 0.00 0.00 64.21 63.76 2qbv n SER 82 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qbv h GLU 83 N 0.00 0.00 -0.00 1.43 4.81 -1.67 -0.70 114.58 118.45 2qbv h GLU 83 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qbv h GLU 83 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2qbv h GLU 83 CO 0.00 0.00 -0.04 1.28 -0.73 0.00 0.00 179.01 179.52 2qbv n LEU 84 N -2.55 0.35 0.00 1.64 4.77 -0.71 -5.06 117.00 115.45 2qbv n LEU 84 Ca -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2qbv n LEU 84 Cb 0.07 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2qbv n LEU 84 CO 0.14 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2qbv n GLY 85 N 1.17 -1.55 0.36 -0.72 0.00 -0.27 -4.40 105.19 99.79 2qbv n GLY 85 Ca 0.18 -2.08 0.08 0.00 0.00 0.00 0.00 46.02 44.21 2qbv n GLY 85 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qbv h PRO 86 N 0.59 0.73 0.00 1.61 0.11 -1.93 -1.83 132.00 131.28 2qbv h PRO 86 Ca 0.00 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 2qbv h PRO 86 Cb 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 2qbv h PRO 86 CO 0.00 0.48 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.59 2qbv h ASP 87 N 0.75 0.00 -0.48 -2.05 3.32 -1.95 -2.75 116.42 113.26 2qbv h ASP 87 Ca 0.37 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.34 2qbv h ASP 87 Cb 0.44 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2qbv h ASP 87 CO -0.14 0.24 -0.01 1.23 -1.72 0.00 0.00 179.24 178.84 2qbv h GLY 88 N 2.19 0.92 1.07 2.75 0.00 -1.52 -0.56 103.07 107.93 2qbv h GLY 88 Ca -0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 2qbv h GLY 88 CO 0.03 0.63 0.38 1.70 0.00 0.00 0.00 176.54 179.28 2qbv h LYS 89 N 0.71 1.19 -0.21 4.80 3.64 -1.39 -1.74 116.57 123.57 2qbv h LYS 89 Ca 0.14 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2qbv h LYS 89 Cb 0.52 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2qbv h LYS 89 CO 0.03 0.93 -0.29 -0.44 -2.27 0.00 0.00 179.45 177.41 2qbv h ASP 90 N 1.18 0.42 0.27 4.20 3.32 -1.24 -1.11 116.42 123.46 2qbv h ASP 90 Ca 0.28 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2qbv h ASP 90 Cb 0.14 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2qbv h ASP 90 CO -0.03 0.70 -0.13 0.25 -1.72 0.00 0.00 179.24 178.31 2qbv h LEU 91 N 0.37 -0.31 -0.72 1.55 5.85 -0.89 -0.69 115.31 120.46 2qbv h LEU 91 Ca 0.05 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.82 2qbv h LEU 91 Cb 0.70 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 2qbv h LEU 91 CO 0.05 -0.16 0.38 0.00 -0.34 0.00 0.00 178.44 178.37 2qbv h ALA 92 N 0.28 1.00 -0.40 1.25 0.00 -1.12 -0.66 119.26 119.61 2qbv h ALA 92 Ca -0.04 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2qbv h ALA 92 Cb 0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2qbv h ALA 92 CO 0.06 -0.00 0.18 0.82 0.00 0.00 0.00 179.25 180.32 2qbv h ILE 93 N 0.65 0.95 -0.21 0.00 2.04 -1.04 0.12 117.51 120.03 2qbv h ILE 93 Ca 0.35 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 66.10 2qbv h ILE 93 Cb 0.33 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2qbv h ILE 93 CO -0.25 0.07 0.09 -0.07 0.00 0.00 0.00 178.15 177.99 2qbv h LEU 94 N 0.38 0.12 -0.51 1.44 4.07 -0.63 -0.22 115.31 119.97 2qbv h LEU 94 Ca 0.18 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.22 2qbv h LEU 94 Cb 0.11 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 41.78 2qbv h LEU 94 CO -0.14 0.10 0.17 -0.07 -1.08 0.00 0.00 178.44 177.42 2qbv h LEU 95 N 0.20 0.15 -0.28 1.67 3.38 -0.89 0.25 115.31 119.78 2qbv h LEU 95 Ca 0.09 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2qbv h LEU 95 Cb 0.04 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2qbv h LEU 95 CO -0.07 0.11 0.09 -0.07 0.09 0.00 0.00 178.44 178.58 2qbv h LEU 96 N 0.34 0.08 -1.22 1.67 3.38 -0.45 -1.81 115.31 117.29 2qbv h LEU 96 Ca 0.25 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 2qbv h LEU 96 Cb 0.28 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2qbv h LEU 96 CO -0.27 0.08 0.17 0.03 0.09 0.00 0.00 178.44 178.55 2qbv h ARG 97 N 0.21 0.71 -0.35 1.13 3.08 -0.24 -2.31 114.38 116.60 2qbv h ARG 97 Ca 0.13 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2qbv h ARG 97 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2qbv h ARG 97 CO -0.14 0.61 -0.06 1.25 -1.07 0.00 0.00 179.97 180.56 2qbv h LEU 98 N 0.70 0.55 -1.97 3.04 5.85 -0.28 -2.79 115.31 120.42 2qbv h LEU 98 Ca 0.17 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2qbv h LEU 98 Cb 0.18 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2qbv h LEU 98 CO -0.01 0.66 0.05 0.61 -0.34 0.00 0.00 178.44 179.41 2qbv n GLY 99 N -0.72 2.12 2.51 3.75 0.00 -0.70 -4.80 105.19 107.35 2qbv n GLY 99 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2qbv n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86