#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 0.11 -0.14 0.03 0.00 -1.26 -4.30 120.64 115.09 1ijp n GLU 2 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 57.16 57.10 1ijp n GLU 2 Cb 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 31.44 30.86 1ijp n GLU 2 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1ijp h ASN 3 N -0.21 0.71 -0.85 -1.84 4.21 -2.06 -2.64 115.58 112.90 1ijp h ASN 3 Ca 0.00 -0.33 -0.02 0.00 1.21 0.00 0.00 56.30 57.17 1ijp h ASN 3 Cb 0.21 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 37.18 1ijp h ASN 3 CO 0.00 0.86 0.46 0.25 -1.29 0.00 0.00 177.43 177.71 1ijp h LEU 4 N 0.53 1.06 -1.22 1.61 5.85 -2.00 -2.15 115.31 119.00 1ijp h LEU 4 Ca 0.11 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1ijp h LEU 4 Cb 0.52 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1ijp h LEU 4 CO 0.03 0.86 0.55 -1.13 -0.34 0.00 0.00 178.44 178.41 1ijp h ASN 5 N 1.18 0.84 -0.27 1.25 -0.73 -1.74 -1.13 115.58 114.98 1ijp h ASN 5 Ca 0.30 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.33 1ijp h ASN 5 Cb 0.04 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 1ijp h ASN 5 CO -0.05 0.54 -0.34 0.24 -0.37 0.00 0.00 177.43 177.46 1ijp h MET 6 N 0.95 0.80 -0.46 6.67 2.86 -1.27 -1.45 114.93 123.04 1ijp h MET 6 Ca 0.36 -0.39 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1ijp h MET 6 Cb 0.19 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1ijp h MET 6 CO -0.13 1.02 0.25 -0.44 1.06 0.00 0.00 176.91 178.67 1ijp h ASP 7 N 0.67 0.39 -0.67 1.22 3.32 -1.29 -2.61 116.42 117.45 1ijp h ASP 7 Ca 0.07 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1ijp h ASP 7 Cb 0.89 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 1ijp h ASP 7 CO 0.08 0.28 0.31 -0.07 -1.72 0.00 0.00 179.24 178.11 1ijp h LEU 8 N 0.50 0.89 0.35 1.55 3.38 -1.16 -1.83 115.31 118.99 1ijp h LEU 8 Ca 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ijp h LEU 8 Cb 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1ijp h LEU 8 CO -0.11 0.78 -0.17 0.25 0.09 0.00 0.00 178.44 179.28 1ijp h LEU 9 N 0.93 -0.40 -0.46 1.67 5.85 -1.30 -2.60 115.31 119.01 1ijp h LEU 9 Ca 0.23 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1ijp h LEU 9 Cb 0.14 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1ijp h LEU 9 CO -0.03 -0.05 -0.27 0.00 -0.34 0.00 0.00 178.44 177.75 1ijp n TYR 10 N -5.17 -0.20 0.01 1.25 9.36 -0.98 -1.17 117.16 120.26 1ijp n TYR 10 Ca -0.10 0.57 -0.12 0.00 3.32 0.00 0.00 57.90 61.57 1ijp n TYR 10 Cb 0.27 -0.50 -0.08 0.00 -0.63 0.00 0.00 39.34 38.40 1ijp n TYR 10 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 1ijp h MET 11 N 0.00 0.01 -0.80 2.98 2.86 -1.39 -2.56 114.93 116.03 1ijp h MET 11 Ca 0.07 -0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.84 1ijp h MET 11 Cb 0.19 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1ijp h MET 11 CO -0.43 0.25 0.52 0.00 1.06 0.00 0.00 176.91 178.32 1ijp h ALA 12 N 0.76 1.93 0.51 6.32 0.00 -1.53 -0.94 119.26 126.32 1ijp h ALA 12 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ijp h ALA 12 Cb 0.25 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ijp h ALA 12 CO 0.00 -0.13 -0.25 0.00 0.00 0.00 0.00 179.25 178.87 1ijp h ALA 13 N 1.62 -0.69 -0.76 0.00 0.00 -0.89 0.18 119.26 118.73 1ijp h ALA 13 Ca 0.39 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ijp h ALA 13 Cb 0.69 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1ijp h ALA 13 CO -0.15 -0.74 0.50 0.00 0.00 0.00 0.00 179.25 178.87 1ijp h ALA 14 N -0.72 1.49 0.14 0.00 0.00 -1.51 0.01 119.26 118.66 1ijp h ALA 14 Ca -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ijp h ALA 14 Cb 0.61 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ijp h ALA 14 CO 0.12 0.46 -0.07 0.28 0.00 0.00 0.00 179.25 180.04 1ijp h VAL 15 N 1.00 0.99 -0.43 0.00 2.07 -1.24 -1.24 116.25 117.40 1ijp h VAL 15 Ca 0.29 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1ijp h VAL 15 Cb -0.06 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1ijp h VAL 15 CO -0.07 0.14 0.18 -0.03 0.02 0.00 0.00 177.57 177.81 1ijp h MET 16 N -0.48 0.63 -0.00 1.57 -1.53 -0.96 -3.27 114.93 110.89 1ijp h MET 16 Ca -0.02 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.13 1ijp h MET 16 Cb 0.38 -0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.33 1ijp h MET 16 CO 0.03 0.58 -0.46 -1.33 0.14 0.00 0.00 176.91 175.87 1ijp n MET 17 N -4.63 0.03 -0.03 0.39 2.81 -0.01 -3.78 117.12 111.89 1ijp n MET 17 Ca 0.00 -0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 55.76 1ijp n MET 17 Cb 0.14 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.16 1ijp n MET 17 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ijp h GLY 18 N 5.00 0.76 -0.85 3.03 0.00 -1.32 -3.32 103.07 106.37 1ijp h GLY 18 Ca 0.00 -0.89 0.10 0.00 0.00 0.00 0.00 47.33 46.54 1ijp h GLY 18 CO 0.00 0.80 -0.51 -2.00 0.00 0.00 0.00 176.54 174.83 1ijp h LEU 19 N 0.53 -1.84 -2.00 3.11 6.46 -1.65 -2.58 115.31 117.33 1ijp h LEU 19 Ca 0.01 0.30 0.09 0.00 -0.12 0.00 0.00 57.88 58.16 1ijp h LEU 19 Cb 1.14 0.84 -0.01 0.00 -0.73 0.00 0.00 40.66 41.89 1ijp h LEU 19 CO 0.11 -0.28 0.40 1.55 -0.62 0.00 0.00 178.44 179.60 1ijp h PRO 20 N -0.08 0.00 -0.83 5.25 0.13 -1.76 0.19 132.00 134.89 1ijp h PRO 20 Ca 0.20 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.37 1ijp h PRO 20 Cb 0.50 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.58 1ijp h PRO 20 CO -0.87 0.00 0.52 0.00 -0.23 0.00 0.00 178.00 177.42 1ijp h ALA 21 N 1.49 1.11 0.05 -0.56 0.00 -1.66 -2.09 119.26 117.60 1ijp h ALA 21 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ijp h ALA 21 Cb 0.94 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ijp h ALA 21 CO -0.00 0.32 -0.03 0.82 0.00 0.00 0.00 179.25 180.36 1ijp h ILE 22 N 1.00 1.10 0.39 0.00 5.03 -1.55 -3.34 117.51 120.15 1ijp h ILE 22 Ca 0.34 -1.59 -0.01 0.00 -0.12 0.00 0.00 64.86 63.48 1ijp h ILE 22 Cb 0.06 1.99 -0.03 0.00 -3.03 0.00 0.00 36.82 35.81 1ijp h ILE 22 CO -0.13 0.34 -0.51 1.23 -0.68 0.00 0.00 178.15 178.39 1ijp h GLY 23 N -0.92 -1.24 2.00 5.37 0.00 -0.97 -1.63 103.07 105.68 1ijp h GLY 23 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1ijp h GLY 23 CO 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.21 1ijp h ALA 24 N -0.81 1.00 -0.21 3.60 0.00 -1.64 -1.10 119.26 120.11 1ijp h ALA 24 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ijp h ALA 24 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1ijp h ALA 24 CO -0.13 0.00 0.01 0.00 0.00 0.00 0.00 179.25 179.14 1ijp h ALA 25 N 2.23 0.28 -0.55 0.00 0.00 -1.64 -1.94 119.26 117.64 1ijp h ALA 25 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1ijp h ALA 25 Cb 0.60 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1ijp h ALA 25 CO 0.00 -0.02 0.37 0.82 0.00 0.00 0.00 179.25 180.42 1ijp h ILE 26 N 0.13 0.90 -0.17 0.00 1.08 -1.27 -2.53 117.51 115.66 1ijp h ILE 26 Ca 0.06 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.46 1ijp h ILE 26 Cb 0.36 0.51 -0.06 0.00 -3.07 0.00 0.00 36.82 34.57 1ijp h ILE 26 CO 0.01 0.07 -0.22 1.23 -0.69 0.00 0.00 178.15 178.55 1ijp h GLY 27 N 0.36 -0.18 0.45 5.37 0.00 -0.95 -1.31 103.07 106.81 1ijp h GLY 27 Ca 0.25 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 1ijp h GLY 27 CO -0.06 -0.19 -0.36 -2.22 0.00 0.00 0.00 176.54 173.71 1ijp h ILE 28 N -0.26 0.00 0.16 2.60 1.08 -1.24 -1.57 117.51 118.28 1ijp h ILE 28 Ca 0.11 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.60 1ijp h ILE 28 Cb 0.43 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.13 1ijp h ILE 28 CO -0.32 0.00 -0.47 1.23 -0.69 0.00 0.00 178.15 177.90 1ijp h GLY 29 N -0.78 -1.01 0.03 5.37 0.00 -1.48 0.13 103.07 105.34 1ijp h GLY 29 Ca -0.06 0.57 -0.08 0.00 0.00 0.00 0.00 47.33 47.76 1ijp h GLY 29 CO 0.01 -0.28 -0.45 -2.22 0.00 0.00 0.00 176.54 173.60 1ijp h ILE 30 N -0.73 1.50 0.00 2.60 5.03 -1.39 -2.47 117.51 122.04 1ijp h ILE 30 Ca 0.00 -2.30 -0.02 0.00 -0.12 0.00 0.00 64.86 62.42 1ijp h ILE 30 Cb 0.73 3.01 -0.00 0.00 -3.03 0.00 0.00 36.82 37.53 1ijp h ILE 30 CO -0.25 0.52 -0.11 -0.07 -0.68 0.00 0.00 178.15 177.56 1ijp h LEU 31 N -0.97 0.00 -0.23 1.44 3.38 -1.36 0.45 115.31 118.03 1ijp h LEU 31 Ca -0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1ijp h LEU 31 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1ijp h LEU 31 CO -0.06 0.11 -0.35 1.23 0.09 0.00 0.00 178.44 179.46 1ijp h GLY 32 N 3.43 0.69 0.41 0.83 0.00 -0.29 -2.17 103.07 105.97 1ijp h GLY 32 Ca -0.00 -0.78 0.05 0.00 0.00 0.00 0.00 47.33 46.60 1ijp h GLY 32 CO 0.01 0.70 -0.12 -1.33 0.00 0.00 0.00 176.54 175.81 1ijp h GLY 33 N 0.33 0.08 0.62 4.60 0.00 -1.37 -2.20 103.07 105.13 1ijp h GLY 33 Ca 0.02 0.15 0.12 0.00 0.00 0.00 0.00 47.33 47.61 1ijp h GLY 33 CO 0.08 -0.14 0.58 1.70 0.00 0.00 0.00 176.54 178.76 1ijp h LYS 34 N -0.09 0.78 -0.66 4.80 3.64 -1.04 -2.34 116.57 121.66 1ijp h LYS 34 Ca 0.12 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 1ijp h LYS 34 Cb 0.28 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 1ijp h LYS 34 CO -0.29 0.52 0.33 0.35 -2.27 0.00 0.00 179.45 178.08 1ijp h PHE 35 N 0.80 0.59 -0.36 1.91 3.04 -1.07 -1.26 116.94 120.60 1ijp h PHE 35 Ca 0.43 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.33 1ijp h PHE 35 Cb 0.55 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1ijp h PHE 35 CO -0.00 0.23 -0.06 1.25 -2.02 0.00 0.00 178.31 177.71 1ijp h LEU 36 N 0.58 0.68 -0.88 0.59 7.12 -1.12 -0.49 115.31 121.79 1ijp h LEU 36 Ca 0.31 -0.35 0.14 0.00 0.13 0.00 0.00 57.88 58.12 1ijp h LEU 36 Cb 0.29 -0.19 -0.09 0.00 -0.53 0.00 0.00 40.66 40.15 1ijp h LEU 36 CO -0.24 0.87 0.48 -0.08 -0.13 0.00 0.00 178.44 179.35 1ijp h GLU 37 N 0.48 0.68 -0.29 1.25 4.22 -1.37 -0.79 114.58 118.77 1ijp h GLU 37 Ca 0.09 -0.04 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 1ijp h GLU 37 Cb 0.56 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1ijp h GLU 37 CO 0.03 0.45 0.04 0.78 -2.18 0.00 0.00 179.01 178.13 1ijp h GLY 38 N 0.70 0.45 1.41 1.92 0.00 -1.15 -2.81 103.07 103.59 1ijp h GLY 38 Ca 0.47 -0.23 -0.22 0.00 0.00 0.00 0.00 47.33 47.35 1ijp h GLY 38 CO -0.34 0.22 -0.85 0.00 0.00 0.00 0.00 176.54 175.58 1ijp h ALA 39 N 1.63 0.39 -0.95 3.60 0.00 0.01 -0.88 119.26 123.06 1ijp h ALA 39 Ca 0.10 -0.65 0.01 0.00 0.00 0.00 0.00 54.91 54.37 1ijp h ALA 39 Cb 0.22 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1ijp h ALA 39 CO 0.00 0.74 0.61 0.00 0.00 0.00 0.00 179.25 180.61 1ijp h ALA 40 N 0.70 1.29 0.46 0.00 0.00 -1.28 -3.27 119.26 117.17 1ijp h ALA 40 Ca -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ijp h ALA 40 Cb 1.46 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ijp h ALA 40 CO 0.16 0.64 -0.22 -0.09 0.00 0.00 0.00 179.25 179.74 1ijp h ARG 41 N 1.29 -0.60 -2.33 0.00 2.43 -1.47 -3.47 114.38 110.24 1ijp h ARG 41 Ca 0.35 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.48 1ijp h ARG 41 Cb -0.12 0.14 -0.27 0.00 -0.42 0.00 0.00 29.97 29.30 1ijp h ARG 41 CO -0.07 -0.40 -0.35 -1.14 -1.51 0.00 0.00 179.97 176.50 1ijp s GLN 42 N -3.56 0.36 0.00 0.20 -0.44 -0.34 -5.07 119.66 110.81 1ijp s GLN 42 Ca -0.09 1.03 0.10 0.00 -2.50 0.00 0.00 55.36 53.90 1ijp s GLN 42 Cb 0.01 0.31 0.54 0.00 -1.64 0.00 0.00 33.01 32.23 1ijp s GLN 42 CO 0.27 -0.30 1.12 -0.35 0.50 0.00 0.00 175.29 176.53 1ijp n PRO 43 N 5.40 0.22 -3.13 1.67 -0.04 -1.23 -2.14 135.00 135.75 1ijp n PRO 43 Ca -0.08 0.11 -0.23 0.00 -0.04 0.00 0.00 63.50 63.26 1ijp n PRO 43 Cb 0.49 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 1ijp n PRO 43 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ijp n ASP 44 N -1.15 2.29 -4.89 3.54 -0.08 -1.26 -4.96 116.55 110.03 1ijp n ASP 44 Ca 0.06 -3.24 -0.30 0.00 -1.51 0.00 0.00 54.79 49.80 1ijp n ASP 44 Cb 0.06 -0.61 0.03 0.00 2.34 0.00 0.00 41.12 42.94 1ijp n ASP 44 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1ijp s LEU 45 N -2.63 3.13 0.04 -2.67 1.43 -0.91 -4.97 118.68 112.09 1ijp s LEU 45 Ca 0.42 1.13 -0.30 0.00 -1.03 0.00 0.00 54.13 54.35 1ijp s LEU 45 Cb 0.28 -4.02 -0.17 0.00 0.03 0.00 0.00 46.19 42.31 1ijp s LEU 45 CO -0.10 -1.07 1.38 0.40 0.23 0.00 0.00 176.35 177.19 1ijp h ILE 46 N -0.38 0.27 -0.27 -0.59 2.04 -1.99 -1.92 117.51 114.66 1ijp h ILE 46 Ca -0.45 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.28 1ijp h ILE 46 Cb 1.23 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1ijp h ILE 46 CO 0.63 0.02 0.35 1.55 0.00 0.00 0.00 178.15 180.70 1ijp h PRO 47 N -1.04 0.00 0.04 2.37 0.13 -1.98 -1.66 132.00 129.86 1ijp h PRO 47 Ca -0.09 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1ijp h PRO 47 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1ijp h PRO 47 CO 0.15 0.00 -0.02 1.25 -0.23 0.00 0.00 178.00 179.15 1ijp h LEU 48 N 0.00 -0.04 -1.61 1.56 7.12 -1.85 -2.18 115.31 118.30 1ijp h LEU 48 Ca 0.13 -0.31 0.02 0.00 0.13 0.00 0.00 57.88 57.85 1ijp h LEU 48 Cb 0.83 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.95 1ijp h LEU 48 CO -0.00 0.28 0.29 -0.07 -0.13 0.00 0.00 178.44 178.81 1ijp h LEU 49 N -0.38 0.44 0.29 2.25 3.38 -1.00 -1.49 115.31 118.80 1ijp h LEU 49 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ijp h LEU 49 Cb 0.35 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1ijp h LEU 49 CO 0.01 0.31 -0.22 0.03 0.09 0.00 0.00 178.44 178.66 1ijp h ARG 50 N 0.52 -0.50 -0.40 1.13 2.47 -1.37 -2.65 114.38 113.59 1ijp h ARG 50 Ca 0.17 0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.80 1ijp h ARG 50 Cb 0.05 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1ijp h ARG 50 CO -0.04 -0.33 -0.27 1.79 0.56 0.00 0.00 179.97 181.68 1ijp h THR 51 N -0.51 1.27 -0.69 2.04 1.35 -1.12 -0.06 112.91 115.19 1ijp h THR 51 Ca -0.02 -1.41 -0.05 0.00 -0.55 0.00 0.00 66.41 64.38 1ijp h THR 51 Cb 0.45 1.25 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 1ijp h THR 51 CO -0.00 0.47 0.25 0.06 -0.25 0.00 0.00 175.52 176.05 1ijp h GLN 52 N 0.71 1.06 -0.58 4.72 -0.00 -1.42 -1.78 115.11 117.82 1ijp h GLN 52 Ca 0.09 -0.21 0.11 0.00 -0.00 0.00 0.00 58.65 58.63 1ijp h GLN 52 Cb 0.81 -0.16 -0.08 0.00 -0.00 0.00 0.00 27.48 28.04 1ijp h GLN 52 CO 0.07 0.89 0.11 0.35 -0.00 0.00 0.00 178.83 180.25 1ijp h PHE 53 N 1.00 0.16 -0.09 0.06 3.57 -1.36 -2.78 116.94 117.51 1ijp h PHE 53 Ca 0.23 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 1ijp h PHE 53 Cb 0.25 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1ijp h PHE 53 CO 0.02 -0.04 -0.16 0.74 -2.23 0.00 0.00 178.31 176.64 1ijp h PHE 54 N 0.24 0.14 -0.03 0.41 0.04 -0.86 -1.05 116.94 115.83 1ijp h PHE 54 Ca 0.30 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.07 1ijp h PHE 54 Cb 0.44 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.52 1ijp h PHE 54 CO -0.25 0.30 -0.10 0.82 -0.60 0.00 0.00 178.31 178.48 1ijp h ILE 55 N 0.13 0.73 0.09 -0.55 2.04 -1.17 -2.29 117.51 116.49 1ijp h ILE 55 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1ijp h ILE 55 Cb 0.37 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1ijp h ILE 55 CO 0.02 0.00 -0.04 0.58 0.00 0.00 0.00 178.15 178.71 1ijp h VAL 56 N -0.16 0.00 -0.44 1.67 2.07 -1.21 -2.87 116.25 115.30 1ijp h VAL 56 Ca 0.05 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1ijp h VAL 56 Cb 0.23 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1ijp h VAL 56 CO -0.12 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.76 1ijp h MET 57 N -0.25 0.45 0.00 1.57 -0.00 -1.38 -1.61 114.93 113.71 1ijp h MET 57 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.66 1ijp h MET 57 Cb 0.09 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.59 1ijp h MET 57 CO 0.02 0.30 0.00 0.41 -0.00 0.00 0.00 176.91 177.64 1ijp n GLY 58 N -1.49 -2.60 0.35 -3.00 0.00 -0.86 -1.78 105.19 95.81 1ijp n GLY 58 Ca 0.05 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1ijp n GLY 58 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ijp h LEU 59 N 0.00 0.00 -0.37 0.99 5.85 -1.46 0.25 115.31 120.57 1ijp h LEU 59 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1ijp h LEU 59 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1ijp h LEU 59 CO 0.00 0.00 -0.60 0.58 -0.34 0.00 0.00 178.44 178.08 1ijp h VAL 60 N 0.00 1.30 0.10 1.05 2.07 -1.31 -2.40 116.25 117.07 1ijp h VAL 60 Ca 0.06 -1.83 0.01 0.00 0.82 0.00 0.00 66.70 65.76 1ijp h VAL 60 Cb 1.11 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 1ijp h VAL 60 CO -0.00 0.58 -0.46 0.44 0.02 0.00 0.00 177.57 178.15 1ijp h ASP 61 N 0.53 -1.38 -0.12 0.57 3.45 0.31 -2.59 116.42 117.20 1ijp h ASP 61 Ca -0.00 0.14 0.01 0.00 0.43 0.00 0.00 57.03 57.61 1ijp h ASP 61 Cb 1.19 0.51 -0.01 0.00 -0.56 0.00 0.00 39.33 40.45 1ijp h ASP 61 CO 0.12 -0.48 -0.07 0.00 -1.57 0.00 0.00 179.24 177.24 1ijp n ALA 62 N -2.86 -0.07 0.11 3.45 0.00 -1.06 -2.69 120.51 117.38 1ijp n ALA 62 Ca -0.07 0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1ijp n ALA 62 Cb 0.35 0.37 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 1ijp n ALA 62 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ijp h ILE 63 N 0.00 0.67 0.20 0.00 1.08 -1.50 -2.63 117.51 115.33 1ijp h ILE 63 Ca 0.02 -0.87 -0.01 0.00 -0.39 0.00 0.00 64.86 63.61 1ijp h ILE 63 Cb 0.05 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1ijp h ILE 63 CO -0.11 0.15 -0.10 0.00 -0.69 0.00 0.00 178.15 177.40 1ijp h ALA 64 N -0.41 -0.27 0.16 1.87 0.00 -1.59 -2.88 119.26 116.14 1ijp h ALA 64 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ijp h ALA 64 Cb 0.51 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ijp h ALA 64 CO 0.06 -0.65 -0.08 0.52 0.00 0.00 0.00 179.25 179.10 1ijp h MET 65 N -0.27 -0.21 -0.35 0.00 2.86 -1.67 -2.74 114.93 112.56 1ijp h MET 65 Ca -0.02 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1ijp h MET 65 Cb 0.22 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 1ijp h MET 65 CO 0.04 -0.08 -0.10 0.97 1.06 0.00 0.00 176.91 178.79 1ijp h ILE 66 N -0.28 0.62 -0.79 -1.22 6.09 -1.50 -1.27 117.51 119.16 1ijp h ILE 66 Ca -0.02 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.50 1ijp h ILE 66 Cb 0.22 0.62 -0.04 0.00 0.47 0.00 0.00 36.82 38.09 1ijp h ILE 66 CO 0.04 0.00 0.52 0.00 -3.07 0.00 0.00 178.15 175.64 1ijp h ALA 67 N 1.31 1.52 0.56 0.18 0.00 -1.60 -0.17 119.26 121.06 1ijp h ALA 67 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ijp h ALA 67 Cb 0.28 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ijp h ALA 67 CO -0.37 0.40 -0.27 0.28 0.00 0.00 0.00 179.25 179.29 1ijp h VAL 68 N 0.98 0.33 -0.15 0.00 2.07 -1.10 -2.44 116.25 115.94 1ijp h VAL 68 Ca 0.31 -0.34 -0.16 0.00 0.82 0.00 0.00 66.70 67.34 1ijp h VAL 68 Cb 0.04 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1ijp h VAL 68 CO -0.09 0.04 -0.57 1.23 0.02 0.00 0.00 177.57 178.20 1ijp h GLY 69 N -1.00 0.53 1.01 2.17 0.00 -1.27 -2.50 103.07 102.01 1ijp h GLY 69 Ca -0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1ijp h GLY 69 CO 0.13 0.56 0.34 -2.00 0.00 0.00 0.00 176.54 175.56 1ijp h LEU 70 N 0.37 0.89 -0.64 3.11 6.46 -1.19 -1.71 115.31 122.60 1ijp h LEU 70 Ca 0.00 -0.13 0.10 0.00 -0.12 0.00 0.00 57.88 57.73 1ijp h LEU 70 Cb 1.10 -0.23 -0.11 0.00 -0.73 0.00 0.00 40.66 40.69 1ijp h LEU 70 CO 0.10 0.76 -0.42 1.23 -0.62 0.00 0.00 178.44 179.50 1ijp h GLY 71 N 0.95 -0.35 0.93 3.75 0.00 -1.38 -1.80 103.07 105.16 1ijp h GLY 71 Ca 0.24 0.54 -0.00 0.00 0.00 0.00 0.00 47.33 48.11 1ijp h GLY 71 CO -0.03 -0.17 0.02 -2.00 0.00 0.00 0.00 176.54 174.37 1ijp h LEU 72 N -0.18 0.06 -0.90 3.11 5.85 -1.39 -2.49 115.31 119.36 1ijp h LEU 72 Ca 0.21 -0.08 0.23 0.00 0.84 0.00 0.00 57.88 59.07 1ijp h LEU 72 Cb 0.56 -0.01 -0.16 0.00 0.37 0.00 0.00 40.66 41.41 1ijp h LEU 72 CO -0.72 0.12 -0.00 0.22 -0.34 0.00 0.00 178.44 177.71 1ijp h TYR 73 N -0.01 -0.08 -0.12 1.25 3.20 -1.28 -2.14 116.97 117.78 1ijp h TYR 73 Ca 0.02 0.07 -0.15 0.00 3.14 0.00 0.00 58.73 61.80 1ijp h TYR 73 Cb 0.08 0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.54 1ijp h TYR 73 CO -0.05 -0.35 -0.53 0.28 -1.64 0.00 0.00 178.16 175.87 1ijp h VAL 74 N 0.05 1.35 0.01 1.81 2.07 -1.28 -2.42 116.25 117.85 1ijp h VAL 74 Ca 0.52 -1.82 0.03 0.00 0.82 0.00 0.00 66.70 66.24 1ijp h VAL 74 Cb 0.98 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 1ijp h VAL 74 CO -0.83 0.55 -0.20 0.24 0.02 0.00 0.00 177.57 177.35 1ijp h MET 75 N 0.20 -0.32 0.01 1.57 2.86 -1.22 -2.38 114.93 115.65 1ijp h MET 75 Ca -0.03 0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 1ijp h MET 75 Cb 1.17 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 1ijp h MET 75 CO 0.11 -0.21 -0.87 0.35 1.06 0.00 0.00 176.91 177.34 1ijp h PHE 76 N -0.33 0.10 -0.59 -0.22 3.57 -1.52 -1.53 116.94 116.41 1ijp h PHE 76 Ca 0.06 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1ijp h PHE 76 Cb 0.41 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1ijp h PHE 76 CO -0.24 0.90 0.24 0.00 -2.23 0.00 0.00 178.31 176.98 1ijp h ALA 77 N 1.08 0.77 0.42 2.41 0.00 -1.49 -3.33 119.26 119.12 1ijp h ALA 77 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1ijp h ALA 77 Cb 1.52 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ijp h ALA 77 CO 0.12 0.37 -0.20 0.28 0.00 0.00 0.00 179.25 179.82 1ijp h VAL 78 N 0.81 0.00 -0.03 0.00 2.07 -1.52 -3.51 116.25 114.08 1ijp h VAL 78 Ca 0.20 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1ijp h VAL 78 Cb 0.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1ijp h VAL 78 CO -0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.57