#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijp n GLU 2 N 0.00 0.00 0.08 2.12 4.71 -1.26 -4.90 120.64 121.39 1ijp n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ijp n GLU 2 Cb 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 31.44 30.38 1ijp n GLU 2 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1ijp n ASN 3 N -1.85 -0.59 -0.13 1.62 6.94 -1.26 -4.70 115.26 115.28 1ijp n ASN 3 Ca 0.00 0.29 -0.09 0.00 -0.02 0.00 0.00 54.58 54.76 1ijp n ASN 3 Cb 0.00 0.70 -0.00 0.00 -2.36 0.00 0.00 39.78 38.12 1ijp n ASN 3 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1ijp h LEU 4 N 0.00 0.51 -1.88 -4.53 7.12 -1.99 -2.54 115.31 112.00 1ijp h LEU 4 Ca 0.00 -0.11 -0.02 0.00 0.13 0.00 0.00 57.88 57.89 1ijp h LEU 4 Cb 0.00 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.00 1ijp h LEU 4 CO 0.00 0.47 -0.08 -1.13 -0.13 0.00 0.00 178.44 177.57 1ijp h ASN 5 N 0.51 0.00 -0.52 1.25 -1.24 -1.97 -1.56 115.58 112.05 1ijp h ASN 5 Ca 0.14 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 1ijp h ASN 5 Cb 0.08 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1ijp h ASN 5 CO -0.02 0.08 0.22 0.24 -1.29 0.00 0.00 177.43 176.67 1ijp h MET 6 N 0.00 0.77 -0.33 6.67 2.86 -1.81 -2.66 114.93 120.43 1ijp h MET 6 Ca -0.00 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1ijp h MET 6 Cb 0.15 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1ijp h MET 6 CO 0.01 0.66 0.17 -0.44 1.06 0.00 0.00 176.91 178.38 1ijp h ASP 7 N 0.70 0.39 0.08 1.22 5.19 -1.03 -1.48 116.42 121.50 1ijp h ASP 7 Ca 0.18 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1ijp h ASP 7 Cb 0.17 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1ijp h ASP 7 CO -0.02 0.33 -0.04 -0.07 -3.12 0.00 0.00 179.24 176.32 1ijp h LEU 8 N 0.45 -0.09 -0.06 1.55 3.38 -1.26 -2.71 115.31 116.57 1ijp h LEU 8 Ca 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ijp h LEU 8 Cb 0.02 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ijp h LEU 8 CO -0.02 0.02 0.02 0.25 0.09 0.00 0.00 178.44 178.81 1ijp h LEU 9 N -0.21 0.08 -0.20 1.67 5.85 -1.40 -2.59 115.31 118.52 1ijp h LEU 9 Ca -0.01 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1ijp h LEU 9 Cb 0.17 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1ijp h LEU 9 CO 0.02 0.20 -0.12 0.00 -0.34 0.00 0.00 178.44 178.21 1ijp n TYR 10 N -4.97 -0.09 -0.02 1.25 9.36 -0.56 -1.05 117.16 121.08 1ijp n TYR 10 Ca -0.06 0.24 -0.16 0.00 3.32 0.00 0.00 57.90 61.24 1ijp n TYR 10 Cb 0.10 -0.41 -0.06 0.00 -0.63 0.00 0.00 39.34 38.34 1ijp n TYR 10 CO 0.00 0.00 0.00 1.98 0.22 0.00 0.00 176.86 179.06 1ijp h MET 11 N 0.00 0.75 -1.01 2.98 4.05 -1.54 -2.76 114.93 117.40 1ijp h MET 11 Ca 0.03 -0.61 0.24 0.00 -0.28 0.00 0.00 59.70 59.08 1ijp h MET 11 Cb 0.08 0.12 -0.10 0.00 -0.80 0.00 0.00 31.60 30.90 1ijp h MET 11 CO -0.18 1.22 0.63 0.00 0.23 0.00 0.00 176.91 178.81 1ijp h ALA 12 N 0.61 2.00 0.36 0.39 0.00 -1.48 0.05 119.26 121.19 1ijp h ALA 12 Ca -0.05 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ijp h ALA 12 Cb 1.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ijp h ALA 12 CO 0.16 -0.40 -0.17 0.00 0.00 0.00 0.00 179.25 178.83 1ijp h ALA 13 N 1.65 -0.49 -0.66 0.00 0.00 -0.86 -0.51 119.26 118.40 1ijp h ALA 13 Ca 0.59 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1ijp h ALA 13 Cb 1.26 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1ijp h ALA 13 CO -0.35 -0.65 0.44 0.00 0.00 0.00 0.00 179.25 178.69 1ijp h ALA 14 N -0.22 1.71 -0.02 0.00 0.00 -1.47 0.21 119.26 119.46 1ijp h ALA 14 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ijp h ALA 14 Cb 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ijp h ALA 14 CO 0.08 0.20 0.02 0.28 0.00 0.00 0.00 179.25 179.83 1ijp h VAL 15 N 0.72 1.02 -0.94 0.00 2.07 -1.01 -1.86 116.25 116.25 1ijp h VAL 15 Ca 0.28 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1ijp h VAL 15 Cb 0.19 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1ijp h VAL 15 CO -0.08 0.02 0.62 -0.03 0.02 0.00 0.00 177.57 178.11 1ijp h MET 16 N 0.01 1.13 -0.19 1.57 -1.53 -0.93 -2.59 114.93 112.41 1ijp h MET 16 Ca 0.01 -0.07 0.05 0.00 -3.44 0.00 0.00 59.70 56.25 1ijp h MET 16 Cb 0.02 -0.26 -0.01 0.00 -0.55 0.00 0.00 31.60 30.81 1ijp h MET 16 CO -0.00 0.75 0.13 0.00 0.14 0.00 0.00 176.91 177.93 1ijp h MET 17 N 1.17 0.04 0.06 0.39 3.00 -0.48 -3.14 114.93 115.97 1ijp h MET 17 Ca 0.38 -0.00 -0.24 0.00 0.00 0.00 0.00 59.70 59.84 1ijp h MET 17 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 31.60 31.63 1ijp h MET 17 CO -0.12 0.03 -1.10 0.78 0.00 0.00 0.00 176.91 176.49 1ijp h GLY 18 N 0.04 0.19 -0.79 -3.00 0.00 -1.04 -3.39 103.07 95.07 1ijp h GLY 18 Ca 0.09 -0.45 0.15 0.00 0.00 0.00 0.00 47.33 47.12 1ijp h GLY 18 CO -0.01 0.40 -0.21 -0.10 0.00 0.00 0.00 176.54 176.62 1ijp n LEU 19 N -3.49 -0.31 -0.38 3.11 0.00 -1.00 -1.92 117.00 113.00 1ijp n LEU 19 Ca -0.05 1.37 0.38 0.00 0.00 0.00 0.00 56.01 57.71 1ijp n LEU 19 Cb 0.96 -0.40 0.76 0.00 0.00 0.00 0.00 43.42 44.74 1ijp n LEU 19 CO 0.51 -1.30 1.35 1.55 0.00 0.00 0.00 177.39 179.49 1ijp h PRO 20 N 0.00 0.00 -0.38 1.96 0.13 -1.76 -1.06 132.00 130.89 1ijp h PRO 20 Ca 0.37 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.56 1ijp h PRO 20 Cb 0.57 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 1ijp h PRO 20 CO -0.81 0.00 0.26 0.00 -0.23 0.00 0.00 178.00 177.22 1ijp h ALA 21 N 1.35 2.07 0.00 -0.56 0.00 -1.68 -2.01 119.26 118.42 1ijp h ALA 21 Ca 0.62 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.47 1ijp h ALA 21 Cb 2.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 20.24 1ijp h ALA 21 CO -0.01 -0.15 -0.45 0.82 0.00 0.00 0.00 179.25 179.47 1ijp h ILE 22 N 0.23 0.48 0.58 0.00 2.04 -1.57 -3.40 117.51 115.86 1ijp h ILE 22 Ca 0.17 -1.46 -0.03 0.00 1.00 0.00 0.00 64.86 64.54 1ijp h ILE 22 Cb 0.39 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1ijp h ILE 22 CO -0.03 0.16 -0.28 1.23 0.00 0.00 0.00 178.15 179.23 1ijp h GLY 23 N -1.00 -0.81 2.00 5.37 0.00 -1.16 -2.50 103.07 104.97 1ijp h GLY 23 Ca -0.07 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1ijp h GLY 23 CO -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 176.54 176.17 1ijp h ALA 24 N -1.57 1.01 -0.18 3.60 0.00 -1.56 -1.65 119.26 118.92 1ijp h ALA 24 Ca -0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ijp h ALA 24 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ijp h ALA 24 CO 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.41 1ijp h ALA 25 N 1.97 0.24 -0.47 0.00 0.00 -1.60 -1.95 119.26 117.44 1ijp h ALA 25 Ca -0.00 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1ijp h ALA 25 Cb 0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ijp h ALA 25 CO 0.00 -0.05 0.32 0.82 0.00 0.00 0.00 179.25 180.35 1ijp h ILE 26 N 0.06 0.94 0.15 0.00 2.04 -1.42 -2.58 117.51 116.70 1ijp h ILE 26 Ca 0.05 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1ijp h ILE 26 Cb 0.40 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1ijp h ILE 26 CO 0.01 0.06 -0.27 1.23 0.00 0.00 0.00 178.15 179.18 1ijp h GLY 27 N 0.35 -1.11 0.00 5.37 0.00 -1.02 -2.19 103.07 104.47 1ijp h GLY 27 Ca 0.21 0.53 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1ijp h GLY 27 CO -0.05 -0.35 -0.00 -2.22 0.00 0.00 0.00 176.54 173.92 1ijp h ILE 28 N -0.45 0.00 0.43 2.60 1.08 -1.39 -2.23 117.51 117.55 1ijp h ILE 28 Ca -0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 1ijp h ILE 28 Cb 0.42 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1ijp h ILE 28 CO -0.10 0.00 -0.23 1.23 -0.69 0.00 0.00 178.15 178.36 1ijp h GLY 29 N -0.00 -0.64 0.51 5.37 0.00 -1.58 0.11 103.07 106.83 1ijp h GLY 29 Ca -0.00 0.25 -0.21 0.00 0.00 0.00 0.00 47.33 47.37 1ijp h GLY 29 CO -0.00 -0.24 -1.03 -2.22 0.00 0.00 0.00 176.54 173.05 1ijp h ILE 30 N -0.61 1.29 -0.06 2.60 5.03 -1.59 -2.14 117.51 122.03 1ijp h ILE 30 Ca -0.05 -2.43 -0.24 0.00 -0.12 0.00 0.00 64.86 62.02 1ijp h ILE 30 Cb 0.49 2.93 0.01 0.00 -3.03 0.00 0.00 36.82 37.22 1ijp h ILE 30 CO 0.08 0.67 -0.90 -0.07 -0.68 0.00 0.00 178.15 177.24 1ijp h LEU 31 N -0.45 0.80 -1.13 1.44 3.38 -1.00 -0.82 115.31 117.52 1ijp h LEU 31 Ca -0.21 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.15 1ijp h LEU 31 Cb 1.60 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 1ijp h LEU 31 CO 0.07 1.38 0.40 1.23 0.09 0.00 0.00 178.44 181.61 1ijp h GLY 32 N 0.72 1.07 0.85 0.83 0.00 -0.34 -0.77 103.07 105.43 1ijp h GLY 32 Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1ijp h GLY 32 CO 0.17 0.45 -0.13 -1.33 0.00 0.00 0.00 176.54 175.71 1ijp h GLY 33 N 1.05 -0.27 0.08 4.60 0.00 -1.36 -1.91 103.07 105.26 1ijp h GLY 33 Ca 0.26 0.15 0.14 0.00 0.00 0.00 0.00 47.33 47.87 1ijp h GLY 33 CO -0.04 -0.13 0.22 1.70 0.00 0.00 0.00 176.54 178.29 1ijp h LYS 34 N -0.29 0.33 -0.34 4.80 3.64 -1.16 -2.53 116.57 121.03 1ijp h LYS 34 Ca 0.00 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1ijp h LYS 34 Cb 0.27 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1ijp h LYS 34 CO -0.03 0.22 -0.00 0.35 -2.27 0.00 0.00 179.45 177.72 1ijp h PHE 35 N 0.34 -0.02 -0.22 1.91 3.57 -1.07 -2.56 116.94 118.88 1ijp h PHE 35 Ca 0.39 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.84 1ijp h PHE 35 Cb 0.62 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1ijp h PHE 35 CO -0.22 -0.06 -0.20 1.25 -2.23 0.00 0.00 178.31 176.85 1ijp h LEU 36 N 0.09 0.39 -0.79 0.59 5.85 -1.16 -0.72 115.31 119.56 1ijp h LEU 36 Ca 0.16 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.89 1ijp h LEU 36 Cb 0.22 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 1ijp h LEU 36 CO -0.27 0.60 0.40 -0.08 -0.34 0.00 0.00 178.44 178.74 1ijp h GLU 37 N 0.36 0.60 -0.47 1.25 4.22 -1.45 -1.48 114.58 117.61 1ijp h GLU 37 Ca 0.06 -0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.49 1ijp h GLU 37 Cb 0.56 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1ijp h GLU 37 CO 0.04 0.39 0.27 0.78 -2.18 0.00 0.00 179.01 178.31 1ijp h GLY 38 N 0.61 0.65 1.11 1.92 0.00 -0.91 -2.37 103.07 104.09 1ijp h GLY 38 Ca 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1ijp h GLY 38 CO -0.33 0.17 0.50 0.00 0.00 0.00 0.00 176.54 176.88 1ijp h ALA 39 N 1.21 1.27 -0.82 3.60 0.00 -1.05 -0.85 119.26 122.63 1ijp h ALA 39 Ca 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ijp h ALA 39 Cb 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1ijp h ALA 39 CO -0.09 0.61 0.48 0.00 0.00 0.00 0.00 179.25 180.26 1ijp h ALA 40 N 1.36 1.04 0.71 0.00 0.00 -1.27 -3.23 119.26 117.87 1ijp h ALA 40 Ca 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ijp h ALA 40 Cb -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.45 1ijp h ALA 40 CO -0.05 0.51 -0.34 -0.09 0.00 0.00 0.00 179.25 179.28 1ijp h ARG 41 N 1.12 -0.92 -2.58 0.00 2.43 -1.32 -3.47 114.38 109.64 1ijp h ARG 41 Ca 0.29 0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.41 1ijp h ARG 41 Cb -0.03 0.21 -0.28 0.00 -0.42 0.00 0.00 29.97 29.44 1ijp h ARG 41 CO -0.05 -0.61 -0.39 -0.65 -1.51 0.00 0.00 179.97 176.75 1ijp s GLN 42 N -5.00 0.29 0.21 0.20 -1.52 -0.33 -5.06 119.66 108.46 1ijp s GLN 42 Ca -0.14 0.97 0.21 0.00 -1.95 0.00 0.00 55.36 54.45 1ijp s GLN 42 Cb 0.01 0.25 0.91 0.00 -0.22 0.00 0.00 33.01 33.96 1ijp s GLN 42 CO 0.42 -0.25 1.64 -0.35 -0.25 0.00 0.00 175.29 176.50 1ijp n PRO 43 N 5.31 0.15 -1.11 2.91 -0.04 -1.22 -3.44 135.00 137.57 1ijp n PRO 43 Ca -0.09 0.42 -0.23 0.00 -0.04 0.00 0.00 63.50 63.57 1ijp n PRO 43 Cb 0.50 -1.81 0.14 0.00 -0.04 0.00 0.00 33.50 32.29 1ijp n PRO 43 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ijp n ASP 44 N -2.10 4.27 -4.87 3.54 5.68 -1.26 -5.01 116.55 116.80 1ijp n ASP 44 Ca 0.02 -3.45 -0.35 0.00 -0.50 0.00 0.00 54.79 50.51 1ijp n ASP 44 Cb 0.19 -0.83 -0.05 0.00 -1.14 0.00 0.00 41.12 39.28 1ijp n ASP 44 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1ijp s LEU 45 N -2.98 4.36 -0.01 -2.12 2.96 -1.22 -5.05 118.68 114.63 1ijp s LEU 45 Ca 0.51 0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 54.91 1ijp s LEU 45 Cb 0.43 -2.85 -0.14 0.00 0.50 0.00 0.00 46.19 44.13 1ijp s LEU 45 CO 0.08 0.21 1.04 0.40 -1.32 0.00 0.00 176.35 176.76 1ijp h ILE 46 N 2.98 0.39 0.00 6.68 2.04 -1.97 -2.38 117.51 125.26 1ijp h ILE 46 Ca -0.50 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1ijp h ILE 46 Cb 1.20 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1ijp h ILE 46 CO 0.66 0.07 0.12 1.55 0.00 0.00 0.00 178.15 180.55 1ijp h PRO 47 N -0.98 0.00 0.32 2.37 0.13 -1.99 -1.76 132.00 130.09 1ijp h PRO 47 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1ijp h PRO 47 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1ijp h PRO 47 CO 0.10 0.00 -0.15 1.25 -0.23 0.00 0.00 178.00 178.96 1ijp h LEU 48 N 0.00 -0.37 -1.58 1.56 6.46 -1.89 -2.33 115.31 117.17 1ijp h LEU 48 Ca 0.00 -0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.67 1ijp h LEU 48 Cb 0.24 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1ijp h LEU 48 CO 0.00 -0.07 0.35 -0.07 -0.62 0.00 0.00 178.44 178.03 1ijp h LEU 49 N -0.68 0.47 -0.28 2.25 3.38 -0.93 -0.79 115.31 118.73 1ijp h LEU 49 Ca -0.04 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ijp h LEU 49 Cb 0.48 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1ijp h LEU 49 CO 0.07 0.31 0.11 0.03 0.09 0.00 0.00 178.44 179.05 1ijp h ARG 50 N 0.54 0.23 0.09 1.13 2.47 -1.43 -2.67 114.38 114.74 1ijp h ARG 50 Ca 0.22 -0.01 -0.26 0.00 -1.26 0.00 0.00 59.98 58.66 1ijp h ARG 50 Cb 0.19 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1ijp h ARG 50 CO -0.06 0.15 -1.22 1.15 0.56 0.00 0.00 179.97 180.55 1ijp h THR 51 N 0.24 1.50 -0.72 2.04 2.02 -0.80 -0.91 112.91 116.29 1ijp h THR 51 Ca 0.12 -3.12 -0.03 0.00 0.77 0.00 0.00 66.41 64.15 1ijp h THR 51 Cb 0.08 2.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 1ijp h THR 51 CO -0.11 0.90 0.32 0.06 0.37 0.00 0.00 175.52 177.06 1ijp h GLN 52 N 0.05 1.04 -0.75 6.66 -0.00 -1.32 -1.53 115.11 119.26 1ijp h GLN 52 Ca -0.12 -0.16 0.14 0.00 -0.00 0.00 0.00 58.65 58.52 1ijp h GLN 52 Cb 1.93 -0.19 -0.10 0.00 -0.00 0.00 0.00 27.48 29.13 1ijp h GLN 52 CO 0.18 0.82 0.29 0.35 -0.00 0.00 0.00 178.83 180.47 1ijp h PHE 53 N 1.03 0.49 0.00 0.06 3.57 -1.44 -2.77 116.94 117.88 1ijp h PHE 53 Ca 0.25 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1ijp h PHE 53 Cb 0.14 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1ijp h PHE 53 CO 0.01 0.05 -0.35 0.74 -2.23 0.00 0.00 178.31 176.53 1ijp h PHE 54 N 0.42 0.00 -0.29 0.41 0.04 -0.78 -1.00 116.94 115.75 1ijp h PHE 54 Ca 0.42 0.00 0.03 0.00 2.80 0.00 0.00 57.97 61.22 1ijp h PHE 54 Cb 0.64 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 1ijp h PHE 54 CO -0.17 0.35 0.10 0.82 -0.60 0.00 0.00 178.31 178.80 1ijp h ILE 55 N 0.00 0.92 0.23 -0.55 2.04 -1.13 -1.88 117.51 117.14 1ijp h ILE 55 Ca -0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1ijp h ILE 55 Cb 0.62 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1ijp h ILE 55 CO 0.05 0.04 -0.13 0.58 0.00 0.00 0.00 178.15 178.69 1ijp h VAL 56 N 0.23 0.73 -0.96 1.67 2.07 -1.22 -2.13 116.25 116.64 1ijp h VAL 56 Ca 0.13 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.76 1ijp h VAL 56 Cb 0.10 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1ijp h VAL 56 CO -0.13 0.00 0.60 0.24 0.02 0.00 0.00 177.57 178.30 1ijp h MET 57 N -0.34 0.94 0.07 1.57 2.86 -1.19 -0.11 114.93 118.74 1ijp h MET 57 Ca -0.03 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1ijp h MET 57 Cb 0.27 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1ijp h MET 57 CO 0.03 0.62 -0.03 0.78 1.06 0.00 0.00 176.91 179.37 1ijp h GLY 58 N 0.97 -0.10 1.27 8.32 0.00 -1.38 -2.59 103.07 109.56 1ijp h GLY 58 Ca 0.47 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1ijp h GLY 58 CO -0.25 -0.04 0.03 -0.10 0.00 0.00 0.00 176.54 176.18 1ijp n LEU 59 N -2.28 0.00 -0.01 3.11 -0.00 -0.80 -0.48 117.00 116.53 1ijp n LEU 59 Ca -0.01 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1ijp n LEU 59 Cb 0.04 -0.20 -0.12 0.00 -0.00 0.00 0.00 43.42 43.14 1ijp n LEU 59 CO 0.03 -0.20 -0.64 0.52 -0.00 0.00 0.00 177.39 177.10 1ijp n VAL 60 N -1.16 0.93 -0.16 1.96 0.31 -0.06 -2.44 118.33 117.71 1ijp n VAL 60 Ca 0.00 -0.69 -0.03 0.00 -0.01 0.00 0.00 64.34 63.61 1ijp n VAL 60 Cb 0.03 -0.47 0.04 0.00 -0.91 0.00 0.00 33.84 32.53 1ijp n VAL 60 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ijp h ASP 61 N 0.00 -0.49 -0.02 4.52 3.58 -0.36 -2.30 116.42 121.35 1ijp h ASP 61 Ca -0.23 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1ijp h ASP 61 Cb 1.61 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 42.97 1ijp h ASP 61 CO 0.03 -0.17 -0.09 0.00 -2.88 0.00 0.00 179.24 176.13 1ijp h ALA 62 N 1.50 -0.52 0.74 -0.78 0.00 -1.57 -2.63 119.26 116.00 1ijp h ALA 62 Ca 0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1ijp h ALA 62 Cb 0.38 0.63 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ijp h ALA 62 CO -0.53 -0.55 -0.35 0.82 0.00 0.00 0.00 179.25 178.64 1ijp h ILE 63 N -0.10 0.03 0.17 0.00 2.04 -1.54 -2.55 117.51 115.57 1ijp h ILE 63 Ca 0.00 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1ijp h ILE 63 Cb 0.11 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1ijp h ILE 63 CO -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.00 1ijp h ALA 64 N -1.22 -0.23 -0.21 1.87 0.00 -1.58 -2.91 119.26 114.97 1ijp h ALA 64 Ca -0.10 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1ijp h ALA 64 Cb 0.77 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ijp h ALA 64 CO 0.17 -0.58 -0.44 1.98 0.00 0.00 0.00 179.25 180.38 1ijp h MET 65 N -0.32 0.52 0.62 0.00 1.85 -1.58 -1.79 114.93 114.23 1ijp h MET 65 Ca -0.02 -0.28 -0.02 0.00 -0.61 0.00 0.00 59.70 58.76 1ijp h MET 65 Cb 0.25 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.29 1ijp h MET 65 CO 0.04 0.86 -0.38 0.97 -0.40 0.00 0.00 176.91 178.00 1ijp h ILE 66 N 0.43 0.23 -0.29 1.77 2.10 -1.53 -2.59 117.51 117.62 1ijp h ILE 66 Ca 0.03 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.88 1ijp h ILE 66 Cb 0.94 0.23 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 1ijp h ILE 66 CO 0.08 0.00 -0.21 0.00 -1.08 0.00 0.00 178.15 176.95 1ijp h ALA 67 N -0.65 1.10 0.08 0.18 0.00 -1.57 -2.18 119.26 116.22 1ijp h ALA 67 Ca -0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ijp h ALA 67 Cb 0.77 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ijp h ALA 67 CO 0.08 0.55 -0.04 0.28 0.00 0.00 0.00 179.25 180.13 1ijp h VAL 68 N 0.48 1.17 -0.30 0.00 2.07 -1.42 -2.15 116.25 116.10 1ijp h VAL 68 Ca 0.08 -1.00 -0.17 0.00 0.82 0.00 0.00 66.70 66.43 1ijp h VAL 68 Cb 0.63 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1ijp h VAL 68 CO 0.04 0.24 -0.47 1.23 0.02 0.00 0.00 177.57 178.63 1ijp h GLY 69 N -0.58 0.89 0.91 2.17 0.00 -1.54 -1.39 103.07 103.54 1ijp h GLY 69 Ca -0.01 -0.98 -0.05 0.00 0.00 0.00 0.00 47.33 46.29 1ijp h GLY 69 CO 0.02 0.88 0.01 -2.00 0.00 0.00 0.00 176.54 175.45 1ijp h LEU 70 N 0.65 0.58 -0.78 3.11 7.12 -1.56 -2.58 115.31 121.85 1ijp h LEU 70 Ca 0.03 -0.30 0.18 0.00 0.13 0.00 0.00 57.88 57.93 1ijp h LEU 70 Cb 1.06 -0.16 -0.14 0.00 -0.53 0.00 0.00 40.66 40.89 1ijp h LEU 70 CO 0.10 0.74 -0.01 1.23 -0.13 0.00 0.00 178.44 180.37 1ijp h GLY 71 N 0.41 0.86 0.81 3.75 0.00 -1.42 -2.15 103.07 105.34 1ijp h GLY 71 Ca 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1ijp h GLY 71 CO 0.01 -0.31 -0.14 -2.00 0.00 0.00 0.00 176.54 174.10 1ijp h LEU 72 N 0.09 -0.34 -0.88 3.11 5.85 -1.21 -1.06 115.31 120.87 1ijp h LEU 72 Ca 0.43 -0.11 0.24 0.00 0.84 0.00 0.00 57.88 59.27 1ijp h LEU 72 Cb 0.76 0.09 -0.14 0.00 0.37 0.00 0.00 40.66 41.74 1ijp h LEU 72 CO -0.70 -0.09 0.21 0.22 -0.34 0.00 0.00 178.44 177.74 1ijp h TYR 73 N -0.59 0.31 0.21 1.25 3.20 -1.44 -1.61 116.97 118.30 1ijp h TYR 73 Ca -0.04 0.05 -0.30 0.00 3.14 0.00 0.00 58.73 61.58 1ijp h TYR 73 Cb 0.43 0.00 0.03 0.00 1.54 0.00 0.00 36.73 38.74 1ijp h TYR 73 CO -0.01 -0.23 -1.32 0.28 -1.64 0.00 0.00 178.16 175.24 1ijp h VAL 74 N 0.18 1.32 -0.83 1.81 2.07 -1.40 -2.64 116.25 116.76 1ijp h VAL 74 Ca 0.55 -2.62 0.11 0.00 0.82 0.00 0.00 66.70 65.57 1ijp h VAL 74 Cb 1.12 3.00 -0.08 0.00 -1.52 0.00 0.00 31.29 33.80 1ijp h VAL 74 CO -0.68 0.78 0.46 -0.03 0.02 0.00 0.00 177.57 178.13 1ijp h MET 75 N 0.09 0.72 -0.02 1.57 1.85 -1.04 -2.68 114.93 115.42 1ijp h MET 75 Ca -0.22 -0.04 0.01 0.00 -0.61 0.00 0.00 59.70 58.83 1ijp h MET 75 Cb 2.03 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 33.89 1ijp h MET 75 CO 0.25 0.47 -0.01 0.74 -0.40 0.00 0.00 176.91 177.96 1ijp h PHE 76 N 0.74 -0.04 -4.82 1.39 0.04 -1.40 -3.50 116.94 109.35 1ijp h PHE 76 Ca 0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.19 1ijp h PHE 76 Cb 0.46 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1ijp h PHE 76 CO -0.07 -0.02 -0.35 0.00 -0.60 0.00 0.00 178.31 177.26 1ijp n ALA 77 N -2.15 -2.93 0.00 2.45 0.00 -0.99 -3.87 120.51 113.02 1ijp n ALA 77 Ca -0.06 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1ijp n ALA 77 Cb 0.05 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 16.68 1ijp n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ijp n VAL 78 N -0.49 0.00 1.93 0.00 0.31 -1.26 -5.11 118.33 113.71 1ijp n VAL 78 Ca 0.08 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.57 1ijp n VAL 78 Cb 0.38 0.00 0.92 0.00 -0.91 0.00 0.00 33.84 34.23 1ijp n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51