#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lbj s GLN 26 N 0.00 3.93 0.32 3.52 -0.21 -1.26 -4.36 119.66 121.60 3lbj s GLN 26 Ca 0.00 -0.26 0.06 0.00 0.02 0.00 0.00 55.36 55.19 3lbj s GLN 26 Cb 0.00 -3.28 -0.01 0.00 1.00 0.00 0.00 33.01 30.72 3lbj s GLN 26 CO 0.00 0.39 0.45 0.14 -2.12 0.00 0.00 175.29 174.16 3lbj s VAL 27 N 0.06 4.20 -0.33 1.09 -7.23 -0.47 -4.92 120.40 112.82 3lbj s VAL 27 Ca 0.08 -1.00 -0.06 0.00 -1.81 0.00 0.00 61.98 59.19 3lbj s VAL 27 Cb -0.12 -3.46 0.04 0.00 0.56 0.00 0.00 36.38 33.40 3lbj s VAL 27 CO -0.00 -0.18 0.08 -0.60 -0.31 0.00 0.00 175.10 174.09 3lbj s ARG 28 N -4.15 2.65 0.26 4.82 3.52 0.14 -1.22 118.95 124.98 3lbj s ARG 28 Ca 0.44 -1.15 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 3lbj s ARG 28 Cb -0.09 -3.40 -0.10 0.00 -1.56 0.00 0.00 34.95 29.80 3lbj s ARG 28 CO 0.31 -0.63 1.33 -2.14 -0.81 0.00 0.00 175.30 173.36 3lbj s PRO 29 N 1.39 4.36 0.79 5.12 0.02 -1.25 -1.62 135.00 143.81 3lbj s PRO 29 Ca -0.02 2.15 -0.13 0.00 0.02 0.00 0.00 61.00 63.03 3lbj s PRO 29 Cb -0.19 -3.13 0.07 0.00 0.02 0.00 0.00 34.50 31.27 3lbj s PRO 29 CO 0.02 -0.25 1.17 0.15 -0.33 0.00 0.00 177.00 177.76 3lbj s LYS 30 N -0.79 1.85 0.23 5.54 1.02 0.27 -4.40 119.74 123.47 3lbj s LYS 30 Ca 0.54 1.60 -0.17 0.00 0.02 0.00 0.00 55.97 57.96 3lbj s LYS 30 Cb -0.39 -1.82 0.25 0.00 -0.52 0.00 0.00 37.83 35.36 3lbj s LYS 30 CO 0.44 -2.02 1.55 1.25 -0.92 0.00 0.00 175.35 175.65 3lbj h LEU 31 N -0.86 -1.39 -0.84 3.17 5.85 -1.94 -0.03 115.31 119.27 3lbj h LEU 31 Ca -0.46 0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 3lbj h LEU 31 Cb 1.28 0.74 -0.04 0.00 0.37 0.00 0.00 40.66 43.01 3lbj h LEU 31 CO 0.48 -0.29 0.45 1.55 -0.34 0.00 0.00 178.44 180.29 3lbj h PRO 32 N -0.01 1.17 -0.24 5.25 0.13 -1.96 0.25 132.00 136.60 3lbj h PRO 32 Ca 0.35 -0.14 -0.12 0.00 -0.87 0.00 0.00 66.00 65.22 3lbj h PRO 32 Cb 0.61 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 3lbj h PRO 32 CO -0.98 0.87 -0.37 1.25 -0.23 0.00 0.00 178.00 178.53 3lbj h LEU 33 N 1.17 0.55 -0.59 1.56 5.85 -1.57 -2.68 115.31 119.60 3lbj h LEU 33 Ca 0.29 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3lbj h LEU 33 Cb 0.04 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3lbj h LEU 33 CO -0.05 0.87 0.30 0.25 -0.34 0.00 0.00 178.44 179.47 3lbj h LEU 34 N 0.44 0.76 -0.79 2.25 5.85 0.12 -1.24 115.31 122.71 3lbj h LEU 34 Ca 0.05 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3lbj h LEU 34 Cb 0.84 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.62 3lbj h LEU 34 CO 0.07 0.67 0.47 0.11 -0.34 0.00 0.00 178.44 179.42 3lbj h LYS 35 N 0.80 0.82 -0.07 1.25 1.57 -0.45 0.23 116.57 120.72 3lbj h LYS 35 Ca 0.20 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3lbj h LYS 35 Cb 0.10 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3lbj h LYS 35 CO -0.03 0.54 0.02 0.82 -0.57 0.00 0.00 179.45 180.23 3lbj h ILE 36 N 0.84 1.18 -0.46 1.86 2.04 -1.11 0.49 117.51 122.35 3lbj h ILE 36 Ca 0.36 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3lbj h ILE 36 Cb 0.22 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3lbj h ILE 36 CO -0.19 0.15 0.27 -0.07 0.00 0.00 0.00 178.15 178.31 3lbj h LEU 37 N -0.09 0.56 -1.27 1.44 3.38 -0.74 -2.09 115.31 116.50 3lbj h LEU 37 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3lbj h LEU 37 Cb 0.22 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3lbj h LEU 37 CO -0.00 0.46 0.47 0.45 0.09 0.00 0.00 178.44 179.91 3lbj h HIS 38 N 0.61 0.92 0.00 1.13 3.86 -0.85 -1.17 115.15 119.66 3lbj h HIS 38 Ca 0.17 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3lbj h HIS 38 Cb 0.01 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.17 3lbj h HIS 38 CO -0.03 0.59 0.00 0.00 0.86 0.00 0.00 177.93 179.35 3lbj h ALA 39 N 1.53 1.00 -0.71 2.45 0.00 -0.21 -0.72 119.26 122.60 3lbj h ALA 39 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3lbj h ALA 39 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3lbj h ALA 39 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.19 3lbj n ALA 40 N -2.07 2.56 0.00 0.00 0.00 -0.53 -4.94 120.51 115.52 3lbj n ALA 40 Ca -0.01 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.08 3lbj n ALA 40 Cb 0.18 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3lbj n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lbj n GLY 41 N 1.54 0.70 3.78 0.00 0.00 -0.28 -4.85 105.19 106.08 3lbj n GLY 41 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 3lbj n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lbj s ALA 42 N -2.00 2.70 0.07 4.61 0.00 -0.66 -4.97 121.76 121.51 3lbj s ALA 42 Ca 0.00 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.73 3lbj s ALA 42 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3lbj s ALA 42 CO 0.00 -0.76 -0.20 -0.65 0.00 0.00 0.00 175.76 174.16 3lbj s GLN 43 N -3.47 1.18 0.50 0.00 1.11 -1.26 -4.29 119.66 113.43 3lbj s GLN 43 Ca 0.70 -1.02 0.00 0.00 0.01 0.00 0.00 55.36 55.05 3lbj s GLN 43 Cb -0.21 -1.35 0.00 0.00 -1.01 0.00 0.00 33.01 30.44 3lbj s GLN 43 CO 0.29 0.33 0.00 0.41 0.01 0.00 0.00 175.29 176.32 3lbj n GLY 44 N 1.48 -2.16 0.00 3.09 0.00 -1.26 -4.79 105.19 101.55 3lbj n GLY 44 Ca -0.19 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.16 3lbj n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3lbj n GLU 45 N -0.12 2.86 -4.94 1.61 1.02 -1.26 -5.00 120.64 114.81 3lbj n GLU 45 Ca 0.00 -0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.80 3lbj n GLU 45 Cb 0.00 -0.89 -0.14 0.00 -0.02 0.00 0.00 31.44 30.39 3lbj n GLU 45 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3lbj s MET 46 N -1.82 2.79 0.06 3.49 -1.94 -1.26 -3.93 119.30 116.67 3lbj s MET 46 Ca -0.00 -0.74 -0.09 0.00 -1.71 0.00 0.00 55.69 53.15 3lbj s MET 46 Cb 0.03 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.46 3lbj s MET 46 CO 0.16 0.44 0.19 -0.06 -0.01 0.00 0.00 175.02 175.74 3lbj s PHE 47 N -0.27 0.09 0.62 -0.03 0.08 -0.35 -5.00 117.98 113.12 3lbj s PHE 47 Ca 0.01 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.57 3lbj s PHE 47 Cb -0.13 -0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.25 3lbj s PHE 47 CO 0.03 -0.47 1.01 0.95 -0.10 0.00 0.00 175.22 176.64 3lbj s THR 48 N -3.01 4.41 0.34 0.64 -4.23 -1.26 -1.36 115.64 111.17 3lbj s THR 48 Ca -0.02 0.68 0.06 0.00 -1.18 0.00 0.00 61.69 61.23 3lbj s THR 48 Cb 0.01 -3.76 0.13 0.00 1.34 0.00 0.00 72.50 70.22 3lbj s THR 48 CO -0.06 -0.97 1.85 0.58 -0.54 0.00 0.00 174.62 175.47 3lbj h VAL 49 N -0.33 1.21 -0.50 2.29 2.07 -1.96 -1.54 116.25 117.49 3lbj h VAL 49 Ca -0.45 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 66.24 3lbj h VAL 49 Cb 1.21 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 3lbj h VAL 49 CO 0.62 0.30 0.11 0.50 0.02 0.00 0.00 177.57 179.12 3lbj h LYS 50 N 0.39 0.24 -0.23 1.57 3.64 -1.95 -0.44 116.57 119.79 3lbj h LYS 50 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3lbj h LYS 50 Cb 0.44 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3lbj h LYS 50 CO 0.02 0.16 0.11 0.93 -2.27 0.00 0.00 179.45 178.40 3lbj h GLU 51 N 0.25 0.34 -0.48 1.90 5.08 -1.78 -1.22 114.58 118.66 3lbj h GLU 51 Ca 0.25 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.64 3lbj h GLU 51 Cb 0.32 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 3lbj h GLU 51 CO -0.32 0.35 0.09 0.28 -1.00 0.00 0.00 179.01 178.42 3lbj h VAL 52 N 0.24 0.73 -0.20 3.13 2.07 -0.82 0.47 116.25 121.87 3lbj h VAL 52 Ca 0.08 -0.08 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 3lbj h VAL 52 Cb 0.13 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3lbj h VAL 52 CO -0.01 0.04 -0.49 0.24 0.02 0.00 0.00 177.57 177.37 3lbj h MET 53 N 0.23 0.55 -0.29 1.57 2.86 -0.91 -0.29 114.93 118.64 3lbj h MET 53 Ca 0.24 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3lbj h MET 53 Cb 0.31 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3lbj h MET 53 CO -0.31 0.91 0.07 0.45 1.06 0.00 0.00 176.91 179.09 3lbj h HIS 54 N 0.43 0.48 -0.23 -0.22 -0.00 -0.74 -2.01 115.15 112.86 3lbj h HIS 54 Ca 0.02 -0.06 -0.09 0.00 -0.00 0.00 0.00 60.37 60.25 3lbj h HIS 54 Cb 1.01 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.27 3lbj h HIS 54 CO 0.04 0.52 -0.24 1.88 -0.00 0.00 0.00 177.93 180.13 3lbj h TYR 55 N 0.30 0.48 -0.59 2.45 0.05 -0.68 -1.63 116.97 117.35 3lbj h TYR 55 Ca 0.09 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 3lbj h TYR 55 Cb 0.28 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 3lbj h TYR 55 CO 0.01 0.64 0.35 -0.07 -1.05 0.00 0.00 178.16 178.04 3lbj h LEU 56 N 0.39 0.71 -0.70 3.88 3.38 -0.96 0.15 115.31 122.15 3lbj h LEU 56 Ca 0.06 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3lbj h LEU 56 Cb 0.63 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3lbj h LEU 56 CO 0.04 0.57 0.24 1.23 0.09 0.00 0.00 178.44 180.61 3lbj h GLY 57 N 0.79 1.16 1.05 0.83 0.00 -0.98 -2.17 103.07 103.76 3lbj h GLY 57 Ca 0.21 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 3lbj h GLY 57 CO -0.04 0.62 0.31 1.46 0.00 0.00 0.00 176.54 178.89 3lbj h GLN 58 N 1.02 1.20 -0.58 4.80 4.20 -1.01 -2.69 115.11 122.05 3lbj h GLN 58 Ca 0.23 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3lbj h GLN 58 Cb 0.27 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 3lbj h GLN 58 CO -0.01 0.97 0.34 -0.92 -0.67 0.00 0.00 178.83 178.54 3lbj h TYR 59 N 1.16 0.63 -0.67 2.96 3.20 -0.44 0.28 116.97 124.09 3lbj h TYR 59 Ca 0.26 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3lbj h TYR 59 Cb 0.23 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3lbj h TYR 59 CO 0.02 0.34 0.37 0.82 -1.64 0.00 0.00 178.16 178.08 3lbj h ILE 60 N 0.66 1.20 -0.02 1.81 2.04 -1.13 -1.00 117.51 121.07 3lbj h ILE 60 Ca 0.24 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3lbj h ILE 60 Cb 0.07 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3lbj h ILE 60 CO -0.12 0.22 -0.05 0.24 0.00 0.00 0.00 178.15 178.43 3lbj h MET 61 N 0.93 0.07 -0.80 2.37 2.86 -1.02 -0.13 114.93 119.21 3lbj h MET 61 Ca 0.24 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.94 3lbj h MET 61 Cb 0.01 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.59 3lbj h MET 61 CO -0.04 0.66 0.42 0.28 1.06 0.00 0.00 176.91 179.28 3lbj h VAL 62 N -0.51 0.82 -0.18 -2.22 2.07 -0.17 -1.17 116.25 114.88 3lbj h VAL 62 Ca -0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3lbj h VAL 62 Cb 0.66 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3lbj h VAL 62 CO 0.01 0.12 0.00 0.29 0.02 0.00 0.00 177.57 178.01 3lbj n LYS 63 N -4.83 1.80 -3.76 1.57 5.02 -0.41 -4.95 118.16 112.60 3lbj n LYS 63 Ca 0.14 -1.20 -0.24 0.00 -2.02 0.00 0.00 58.31 54.99 3lbj n LYS 63 Cb 0.33 -1.40 0.03 0.00 -0.02 0.00 0.00 35.03 33.97 3lbj n LYS 63 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3lbj n GLN 64 N 0.43 -5.23 0.10 1.97 6.02 -0.44 -4.88 117.38 115.35 3lbj n GLN 64 Ca 0.16 0.62 0.09 0.00 -0.01 0.00 0.00 57.00 57.87 3lbj n GLN 64 Cb 0.35 -5.30 -0.00 0.00 1.02 0.00 0.00 30.24 26.31 3lbj n GLN 64 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3lbj h LEU 65 N -1.97 0.00-10.23 1.08 3.38 -1.30 -3.46 115.31 102.81 3lbj h LEU 65 Ca -0.60 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 56.89 3lbj h LEU 65 Cb 1.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.14 3lbj h LEU 65 CO 0.60 0.10 0.36 -0.72 0.09 0.00 0.00 178.44 178.87 3lbj s TYR 66 N -3.28 3.50 -0.24 1.13 -0.85 -1.25 -1.00 117.35 115.36 3lbj s TYR 66 Ca -0.00 1.37 -0.18 0.00 -0.52 0.00 0.00 57.07 57.73 3lbj s TYR 66 Cb 0.09 -2.73 -0.03 0.00 0.38 0.00 0.00 41.96 39.67 3lbj s TYR 66 CO 0.79 -0.41 0.54 0.34 -1.52 0.00 0.00 175.55 175.28 3lbj s ASP 67 N -3.35 6.50 0.59 -0.18 3.68 -0.56 -4.92 116.67 118.42 3lbj s ASP 67 Ca 0.57 0.60 0.29 0.00 2.13 0.00 0.00 52.55 56.14 3lbj s ASP 67 Cb -0.10 -2.29 1.67 0.00 -1.45 0.00 0.00 42.92 40.74 3lbj s ASP 67 CO 0.37 -0.27 2.10 1.56 0.13 0.00 0.00 175.17 179.06 3lbj h GLN 68 N 7.84 0.00 0.00 4.34 4.20 -1.94 -0.60 115.11 128.94 3lbj h GLN 68 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3lbj h GLN 68 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 3lbj h GLN 68 CO 0.73 0.00 -0.84 1.04 -0.67 0.00 0.00 178.83 179.09 3lbj n GLN 69 N -3.79 0.26 -3.23 1.46 6.02 -1.26 -4.59 117.38 112.25 3lbj n GLN 69 Ca 0.01 0.03 -0.20 0.00 -0.01 0.00 0.00 57.00 56.83 3lbj n GLN 69 Cb 0.32 -1.62 -0.07 0.00 1.02 0.00 0.00 30.24 29.89 3lbj n GLN 69 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3lbj s GLU 70 N -3.17 0.89 0.02 -1.09 0.41 -0.27 -5.03 118.70 110.46 3lbj s GLU 70 Ca 0.05 -1.65 0.23 0.00 -0.41 0.00 0.00 54.97 53.19 3lbj s GLU 70 Cb 0.14 -0.97 0.96 0.00 -1.78 0.00 0.00 34.13 32.48 3lbj s GLU 70 CO 0.76 -1.34 1.73 1.04 -0.49 0.00 0.00 175.26 176.96 3lbj n GLN 71 N 3.11 0.02 0.00 1.61 6.02 -0.97 -0.87 117.38 126.29 3lbj n GLN 71 Ca 0.24 0.12 0.14 0.00 -0.01 0.00 0.00 57.00 57.49 3lbj n GLN 71 Cb 0.49 -1.52 0.50 0.00 1.02 0.00 0.00 30.24 30.73 3lbj n GLN 71 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3lbj n HIS 72 N -1.55 0.00 -3.92 1.08 1.44 -1.26 -4.68 115.22 106.32 3lbj n HIS 72 Ca 0.05 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.40 3lbj n HIS 72 Cb 0.27 -0.12 -0.07 0.00 0.12 0.00 0.00 29.99 30.19 3lbj n HIS 72 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3lbj s MET 73 N -2.40 3.58 -0.12 -1.40 -1.94 -0.05 -0.10 119.30 116.87 3lbj s MET 73 Ca 0.29 -0.20 0.01 0.00 -1.71 0.00 0.00 55.69 54.08 3lbj s MET 73 Cb 0.20 -3.19 0.02 0.00 2.01 0.00 0.00 34.83 33.87 3lbj s MET 73 CO 0.47 0.63 -0.15 0.08 -0.01 0.00 0.00 175.02 176.05 3lbj s VAL 74 N -0.62 1.51 -0.34 -6.03 1.01 -0.41 -1.50 120.40 114.02 3lbj s VAL 74 Ca 0.12 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3lbj s VAL 74 Cb -0.12 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3lbj s VAL 74 CO 0.02 0.44 0.16 -0.31 0.00 0.00 0.00 175.10 175.42 3lbj s TYR 75 N 1.11 3.21 -0.02 5.22 4.12 -0.17 -1.64 117.35 129.18 3lbj s TYR 75 Ca -0.04 -0.86 0.03 0.00 0.02 0.00 0.00 57.07 56.22 3lbj s TYR 75 Cb -0.14 -2.37 0.04 0.00 -1.52 0.00 0.00 41.96 37.97 3lbj s TYR 75 CO -0.04 -0.58 0.85 0.00 0.02 0.00 0.00 175.55 175.80 3lbj h GLY 77 N 0.00 0.00 -2.45 0.00 0.00 -1.48 -1.58 103.07 97.56 3lbj h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3lbj h GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3lbj n GLY 78 N -0.73 2.81 3.33 4.60 0.00 -1.26 -4.85 105.19 109.10 3lbj n GLY 78 Ca -0.02 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 3lbj n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3lbj s ASP 79 N -1.05 2.66 0.49 1.61 2.15 -0.64 -5.02 116.67 116.88 3lbj s ASP 79 Ca 0.44 -0.87 0.18 0.00 0.43 0.00 0.00 52.55 52.73 3lbj s ASP 79 Cb 0.27 -0.15 1.20 0.00 -0.30 0.00 0.00 42.92 43.94 3lbj s ASP 79 CO 0.24 -0.04 2.03 0.25 -0.17 0.00 0.00 175.17 177.48 3lbj h LEU 80 N 3.23 0.16 -0.89 -1.34 5.85 -1.94 -1.48 115.31 118.91 3lbj h LEU 80 Ca -0.42 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3lbj h LEU 80 Cb 1.21 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3lbj h LEU 80 CO 0.51 0.10 0.51 0.25 -0.34 0.00 0.00 178.44 179.47 3lbj h LEU 81 N 0.18 1.09 -0.89 2.25 5.85 -1.96 -1.70 115.31 120.14 3lbj h LEU 81 Ca 0.19 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3lbj h LEU 81 Cb 0.52 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3lbj h LEU 81 CO -0.03 0.86 0.54 1.23 -0.34 0.00 0.00 178.44 180.70 3lbj h GLY 82 N 1.24 1.28 1.01 3.75 0.00 -0.82 -1.39 103.07 108.13 3lbj h GLY 82 Ca 0.32 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3lbj h GLY 82 CO -0.06 0.51 0.45 0.83 0.00 0.00 0.00 176.54 178.28 3lbj h GLU 83 N 1.22 1.02 -0.42 4.80 5.08 -1.17 0.35 114.58 125.47 3lbj h GLU 83 Ca 0.32 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3lbj h GLU 83 Cb -0.06 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 3lbj h GLU 83 CO -0.06 0.73 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.42 3lbj h LEU 84 N 1.03 0.82 -0.42 1.33 3.38 -0.94 -2.75 115.31 117.75 3lbj h LEU 84 Ca 0.27 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3lbj h LEU 84 Cb -0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3lbj h LEU 84 CO -0.05 1.00 -0.25 -0.07 0.09 0.00 0.00 178.44 179.16 3lbj h LEU 85 N 0.72 0.00 1.04 1.67 3.38 -0.80 -3.44 115.31 117.88 3lbj h LEU 85 Ca 0.10 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 3lbj h LEU 85 Cb 0.70 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 3lbj h LEU 85 CO 0.05 0.25 -0.24 0.61 0.09 0.00 0.00 178.44 179.20 3lbj n GLY 86 N 0.80 0.53 3.03 0.83 0.00 0.12 -4.95 105.19 105.55 3lbj n GLY 86 Ca 0.02 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 3lbj n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lbj s ARG 87 N -3.76 0.44 0.16 1.61 3.00 -1.03 -5.03 118.95 114.34 3lbj s ARG 87 Ca 0.00 -0.83 0.23 0.00 0.00 0.00 0.00 55.73 55.13 3lbj s ARG 87 Cb 0.00 0.15 0.05 0.00 0.00 0.00 0.00 34.95 35.16 3lbj s ARG 87 CO 0.00 -0.08 1.07 0.00 0.00 0.00 0.00 175.30 176.29 3lbj n GLN 88 N 1.02 0.52 -3.57 3.54 10.64 -1.26 -4.37 117.38 123.90 3lbj n GLN 88 Ca -0.20 0.09 -0.11 0.00 -1.83 0.00 0.00 57.00 54.95 3lbj n GLN 88 Cb 0.57 -1.76 -0.02 0.00 -0.86 0.00 0.00 30.24 28.16 3lbj n GLN 88 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3lbj s SER 89 N -4.96 -0.44 0.19 2.61 1.04 -1.26 -0.80 113.70 110.07 3lbj s SER 89 Ca 0.01 -0.21 -0.18 0.00 0.48 0.00 0.00 55.95 56.05 3lbj s SER 89 Cb 0.11 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.87 3lbj s SER 89 CO 0.78 -1.05 0.51 0.72 0.98 0.00 0.00 173.24 175.19 3lbj s PHE 90 N -3.81 -0.14 -0.18 5.02 -0.12 -0.65 -4.95 117.98 113.15 3lbj s PHE 90 Ca 0.04 -0.19 -0.04 0.00 -0.05 0.00 0.00 56.93 56.69 3lbj s PHE 90 Cb -0.02 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.73 3lbj s PHE 90 CO -0.07 -0.89 -0.02 0.45 -0.05 0.00 0.00 175.22 174.64 3lbj s SER 91 N -2.86 4.81 0.57 1.98 0.15 -1.26 -1.29 113.70 115.80 3lbj s SER 91 Ca 0.08 -0.17 0.35 0.00 0.70 0.00 0.00 55.95 56.91 3lbj s SER 91 Cb -0.01 -1.80 1.60 0.00 -1.71 0.00 0.00 66.02 64.11 3lbj s SER 91 CO -0.04 0.12 2.08 0.58 1.20 0.00 0.00 173.24 177.18 3lbj h VAL 92 N 5.26 0.14 0.00 4.45 2.07 -0.89 -1.27 116.25 126.01 3lbj h VAL 92 Ca -0.34 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3lbj h VAL 92 Cb 1.18 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3lbj h VAL 92 CO 0.62 0.04 0.00 0.11 0.02 0.00 0.00 177.57 178.36 3lbj h LYS 93 N 0.00 0.00 -1.28 1.57 1.57 -1.94 -3.36 116.57 113.13 3lbj h LYS 93 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3lbj h LYS 93 Cb 0.38 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.43 3lbj h LYS 93 CO 0.00 0.00 -0.76 -3.47 -0.57 0.00 0.00 179.45 174.66 3lbj n ASP 94 N -2.82 -1.74 -1.68 0.86 -0.08 -0.51 -5.04 116.55 105.54 3lbj n ASP 94 Ca 0.02 -2.85 -0.13 0.00 -1.51 0.00 0.00 54.79 50.33 3lbj n ASP 94 Cb 0.32 0.66 0.06 0.00 2.34 0.00 0.00 41.12 44.50 3lbj n ASP 94 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3lbj n PRO 95 N 2.18 1.63 -0.34 -0.67 -0.04 -1.00 -4.45 135.00 132.30 3lbj n PRO 95 Ca 0.19 -1.35 0.15 0.00 -0.04 0.00 0.00 63.50 62.45 3lbj n PRO 95 Cb 0.55 -1.53 0.30 0.00 -0.04 0.00 0.00 33.50 32.79 3lbj n PRO 95 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3lbj n SER 96 N 0.10 -0.10 0.30 3.54 7.64 -1.26 -1.34 113.62 122.50 3lbj n SER 96 Ca 0.26 1.69 0.20 0.00 1.01 0.00 0.00 58.87 62.03 3lbj n SER 96 Cb 0.81 -0.62 0.93 0.00 -1.01 0.00 0.00 64.21 64.31 3lbj n SER 96 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3lbj h PRO 97 N 0.00 0.00 -0.49 1.43 0.11 -1.94 -2.75 132.00 128.35 3lbj h PRO 97 Ca 0.61 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.70 3lbj h PRO 97 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3lbj h PRO 97 CO -0.93 0.00 0.23 -0.07 -0.21 0.00 0.00 178.00 177.02 3lbj h LEU 98 N 0.00 0.62 -0.12 2.35 4.07 -1.58 -3.16 115.31 117.49 3lbj h LEU 98 Ca 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 3lbj h LEU 98 Cb 0.25 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 3lbj h LEU 98 CO 0.00 0.54 -0.01 1.88 -1.08 0.00 0.00 178.44 179.77 3lbj h TYR 99 N 0.69 0.24 -0.10 1.13 0.99 -1.67 -1.65 116.97 116.60 3lbj h TYR 99 Ca 0.17 -0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.78 3lbj h TYR 99 Cb 0.09 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 37.75 3lbj h TYR 99 CO 0.01 0.48 -0.27 -0.44 -0.00 0.00 0.00 178.16 177.93 3lbj h ASP 100 N -0.07 0.18 -0.34 3.88 5.19 -1.76 -2.04 116.42 121.47 3lbj h ASP 100 Ca 0.03 -0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.39 3lbj h ASP 100 Cb 0.39 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 3lbj h ASP 100 CO 0.01 0.46 0.22 -0.03 -3.12 0.00 0.00 179.24 176.78 3lbj h MET 101 N 0.17 0.43 -0.58 3.56 4.05 -1.38 -1.03 114.93 120.14 3lbj h MET 101 Ca 0.03 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 3lbj h MET 101 Cb 0.58 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 3lbj h MET 101 CO 0.04 0.28 0.12 -0.07 0.23 0.00 0.00 176.91 177.51 3lbj h LEU 102 N 0.44 0.91 -0.91 3.39 3.38 -0.94 -0.91 115.31 120.67 3lbj h LEU 102 Ca 0.13 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3lbj h LEU 102 Cb -0.04 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.40 3lbj h LEU 102 CO -0.04 0.92 0.56 -0.09 0.09 0.00 0.00 178.44 179.89 3lbj h ARG 103 N 0.86 0.95 0.00 1.13 2.43 -1.06 -1.48 114.38 117.20 3lbj h ARG 103 Ca 0.18 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3lbj h ARG 103 Cb 0.39 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3lbj h ARG 103 CO 0.01 0.63 -0.25 0.87 -1.51 0.00 0.00 179.97 179.72 3lbj h LYS 104 N 0.98 0.00 -0.11 0.20 1.57 -0.54 -3.34 116.57 115.33 3lbj h LYS 104 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3lbj h LYS 104 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3lbj h LYS 104 CO -0.21 0.25 0.00 0.09 -0.57 0.00 0.00 179.45 179.01 3lbj n ASN 105 N -3.22 2.07 -4.09 0.86 3.02 -0.41 -4.89 115.26 108.61 3lbj n ASN 105 Ca 0.02 -1.62 -0.32 0.00 -0.03 0.00 0.00 54.58 52.63 3lbj n ASN 105 Cb 0.57 -0.07 -0.16 0.00 -0.61 0.00 0.00 39.78 39.51 3lbj n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3lbj s LEU 106 N -0.79 2.21 0.00 3.41 1.43 -0.60 -0.56 118.68 123.77 3lbj s LEU 106 Ca 0.12 -0.72 0.26 0.00 -1.03 0.00 0.00 54.13 52.76 3lbj s LEU 106 Cb 0.07 -1.42 0.66 0.00 0.03 0.00 0.00 46.19 45.54 3lbj s LEU 106 CO 0.10 -0.04 1.53 0.52 0.23 0.00 0.00 176.35 178.69