#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 0.09 2.12 1.02 -1.26 -4.31 120.64 118.31 1ijp n GLU 2 Ca 0.00 0.02 0.03 0.00 -0.02 0.00 0.00 57.16 57.19 1ijp n GLU 2 Cb 0.00 -0.27 0.42 0.00 -0.02 0.00 0.00 31.44 31.57 1ijp n GLU 2 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1ijp h ASN 3 N 0.00 0.29 0.07 1.62 4.21 -2.05 -1.46 115.58 118.25 1ijp h ASN 3 Ca 0.00 -0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.47 1ijp h ASN 3 Cb 0.00 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1ijp h ASN 3 CO 0.00 0.34 -0.03 -0.07 -1.29 0.00 0.00 177.43 176.38 1ijp h LEU 4 N 0.32 -0.08 -0.92 1.61 4.07 -2.00 -2.52 115.31 115.79 1ijp h LEU 4 Ca 0.07 -0.35 0.03 0.00 0.08 0.00 0.00 57.88 57.71 1ijp h LEU 4 Cb 0.20 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.90 1ijp h LEU 4 CO 0.00 0.32 0.60 -1.13 -1.08 0.00 0.00 178.44 177.15 1ijp h ASN 5 N -0.49 1.00 -0.42 -0.43 -1.24 -1.70 -1.50 115.58 110.79 1ijp h ASN 5 Ca -0.01 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 56.95 1ijp h ASN 5 Cb 0.43 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 1ijp h ASN 5 CO 0.02 0.68 0.10 0.24 -1.29 0.00 0.00 177.43 177.18 1ijp h MET 6 N 1.16 0.68 -0.70 6.67 2.86 -1.37 -1.55 114.93 122.67 1ijp h MET 6 Ca 0.37 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1ijp h MET 6 Cb -0.00 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1ijp h MET 6 CO -0.12 0.69 0.33 0.22 1.06 0.00 0.00 176.91 179.10 1ijp h ASP 7 N 0.54 0.91 -0.20 1.22 3.58 -1.40 -1.09 116.42 119.97 1ijp h ASP 7 Ca 0.13 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 1ijp h ASP 7 Cb 0.33 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1ijp h ASP 7 CO 0.00 0.77 0.11 -0.07 -2.88 0.00 0.00 179.24 177.17 1ijp h LEU 8 N 1.00 0.25 -0.14 2.28 3.38 -1.24 -2.56 115.31 118.29 1ijp h LEU 8 Ca 0.24 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ijp h LEU 8 Cb 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ijp h LEU 8 CO -0.03 0.26 0.08 0.25 0.09 0.00 0.00 178.44 179.10 1ijp h LEU 9 N 0.21 0.16 -0.71 1.67 5.85 -1.23 -2.01 115.31 119.26 1ijp h LEU 9 Ca 0.07 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.82 1ijp h LEU 9 Cb 0.07 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 40.95 1ijp h LEU 9 CO -0.01 0.16 -0.54 0.22 -0.34 0.00 0.00 178.44 177.93 1ijp h TYR 10 N 0.15 -1.66 -0.32 1.25 3.20 -1.27 -1.46 116.97 116.87 1ijp h TYR 10 Ca 0.05 0.10 -0.17 0.00 3.14 0.00 0.00 58.73 61.85 1ijp h TYR 10 Cb 0.03 0.82 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 1ijp h TYR 10 CO -0.06 -0.43 -0.48 1.98 -1.64 0.00 0.00 178.16 177.54 1ijp h MET 11 N -0.19 0.88 -0.85 1.82 4.05 -1.48 -2.47 114.93 116.70 1ijp h MET 11 Ca 0.15 -0.52 0.13 0.00 -0.28 0.00 0.00 59.70 59.17 1ijp h MET 11 Cb 0.52 0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 31.28 1ijp h MET 11 CO -0.77 1.16 0.46 0.00 0.23 0.00 0.00 176.91 177.99 1ijp h ALA 12 N 0.75 1.26 0.46 0.39 0.00 -1.32 0.38 119.26 121.18 1ijp h ALA 12 Ca 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ijp h ALA 12 Cb 1.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ijp h ALA 12 CO 0.11 -0.00 -0.25 0.00 0.00 0.00 0.00 179.25 179.11 1ijp h ALA 13 N 1.52 -0.66 -0.79 0.00 0.00 -1.24 0.80 119.26 118.88 1ijp h ALA 13 Ca 0.44 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.39 1ijp h ALA 13 Cb 0.54 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 1ijp h ALA 13 CO -0.31 -0.88 0.24 0.00 0.00 0.00 0.00 179.25 178.30 1ijp h ALA 14 N -0.14 1.11 0.14 0.00 0.00 -1.36 0.11 119.26 119.12 1ijp h ALA 14 Ca -0.06 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ijp h ALA 14 Cb 0.52 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ijp h ALA 14 CO 0.08 -0.34 -0.07 0.28 0.00 0.00 0.00 179.25 179.20 1ijp h VAL 15 N 0.31 0.87 -0.70 0.00 2.07 -0.93 -2.47 116.25 115.39 1ijp h VAL 15 Ca 0.46 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 68.06 1ijp h VAL 15 Cb 0.83 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 1ijp h VAL 15 CO -0.53 0.00 0.35 0.24 0.02 0.00 0.00 177.57 177.65 1ijp h MET 16 N -0.20 0.57 0.00 1.57 2.86 -0.35 -0.83 114.93 118.56 1ijp h MET 16 Ca -0.02 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1ijp h MET 16 Cb 0.15 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1ijp h MET 16 CO 0.03 0.38 -0.32 0.00 1.06 0.00 0.00 176.91 178.06 1ijp h MET 17 N 0.59 0.00 -0.01 1.72 -0.00 -0.72 -3.27 114.93 113.23 1ijp h MET 17 Ca 0.35 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.81 1ijp h MET 17 Cb 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.98 1ijp h MET 17 CO -0.27 0.32 -0.96 0.78 -0.00 0.00 0.00 176.91 176.78 1ijp h GLY 18 N 1.21 0.59 -0.87 -3.00 0.00 -1.15 -3.39 103.07 96.45 1ijp h GLY 18 Ca -0.00 -1.00 0.15 0.00 0.00 0.00 0.00 47.33 46.47 1ijp h GLY 18 CO 0.04 0.89 -0.30 -0.10 0.00 0.00 0.00 176.54 177.07 1ijp n LEU 19 N -3.79 -0.48 0.19 3.11 7.94 -0.34 -2.08 117.00 121.56 1ijp n LEU 19 Ca -0.08 1.51 0.17 0.00 -1.11 0.00 0.00 56.01 56.50 1ijp n LEU 19 Cb 0.84 -0.38 0.82 0.00 0.53 0.00 0.00 43.42 45.22 1ijp n LEU 19 CO 0.53 -1.38 1.15 1.55 -1.11 0.00 0.00 177.39 178.12 1ijp h PRO 20 N 0.00 0.00 -0.41 1.96 0.13 -1.76 -0.83 132.00 131.09 1ijp h PRO 20 Ca 0.34 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.51 1ijp h PRO 20 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1ijp h PRO 20 CO -0.87 0.00 0.28 0.00 -0.23 0.00 0.00 178.00 177.17 1ijp h ALA 21 N 1.75 1.88 0.00 -0.56 0.00 -1.67 -1.99 119.26 118.67 1ijp h ALA 21 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1ijp h ALA 21 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ijp h ALA 21 CO -0.00 0.06 -0.55 0.82 0.00 0.00 0.00 179.25 179.58 1ijp h ILE 22 N 0.40 0.57 0.47 0.00 1.08 -1.67 -3.40 117.51 114.96 1ijp h ILE 22 Ca 0.17 -1.58 -0.02 0.00 -0.39 0.00 0.00 64.86 63.04 1ijp h ILE 22 Cb 0.18 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1ijp h ILE 22 CO -0.04 0.19 -0.23 1.23 -0.69 0.00 0.00 178.15 178.62 1ijp h GLY 23 N -1.00 -0.66 2.00 5.37 0.00 -1.10 -2.65 103.07 105.03 1ijp h GLY 23 Ca -0.10 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1ijp h GLY 23 CO -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.24 1ijp n ALA 24 N -2.32 2.14 -0.02 3.60 0.00 -0.77 -1.38 120.51 121.76 1ijp n ALA 24 Ca -0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1ijp n ALA 24 Cb 0.25 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.18 1ijp n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ijp h ALA 25 N 2.56 0.10 -0.10 0.00 0.00 -1.58 -1.82 119.26 118.43 1ijp h ALA 25 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ijp h ALA 25 Cb 0.60 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ijp h ALA 25 CO 0.00 -0.20 0.07 0.82 0.00 0.00 0.00 179.25 179.94 1ijp h ILE 26 N -0.16 0.91 0.34 0.00 1.08 -1.49 -2.50 117.51 115.69 1ijp h ILE 26 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1ijp h ILE 26 Cb 0.37 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1ijp h ILE 26 CO 0.01 0.00 -0.39 1.23 -0.69 0.00 0.00 178.15 178.30 1ijp h GLY 27 N 0.00 -1.15 0.18 5.37 0.00 -1.00 -1.72 103.07 104.75 1ijp h GLY 27 Ca 0.05 0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.91 1ijp h GLY 27 CO -0.00 -0.34 -0.21 -2.22 0.00 0.00 0.00 176.54 173.76 1ijp h ILE 28 N -0.75 0.00 0.20 2.60 1.08 -1.36 -1.40 117.51 117.88 1ijp h ILE 28 Ca -0.04 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1ijp h ILE 28 Cb 0.66 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.37 1ijp h ILE 28 CO -0.07 0.00 -0.38 1.23 -0.69 0.00 0.00 178.15 178.23 1ijp h GLY 29 N -0.40 -0.80 0.00 5.37 0.00 -1.55 0.12 103.07 105.80 1ijp h GLY 29 Ca -0.02 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 1ijp h GLY 29 CO -0.04 -0.28 -0.22 -2.22 0.00 0.00 0.00 176.54 173.78 1ijp h ILE 30 N -0.66 0.20 0.00 2.60 5.03 -1.48 -2.24 117.51 120.95 1ijp h ILE 30 Ca 0.01 -1.17 0.00 0.00 -0.12 0.00 0.00 64.86 63.58 1ijp h ILE 30 Cb 0.66 0.39 0.00 0.00 -3.03 0.00 0.00 36.82 34.84 1ijp h ILE 30 CO -0.18 0.07 0.00 0.18 -0.68 0.00 0.00 178.15 177.54 1ijp n LEU 31 N -4.70 0.00 -0.05 1.44 4.77 -0.59 -2.47 117.00 115.41 1ijp n LEU 31 Ca -0.05 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 1ijp n LEU 31 Cb 0.16 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1ijp n LEU 31 CO 0.07 0.00 -0.80 0.61 -1.33 0.00 0.00 177.39 175.94 1ijp n GLY 32 N 0.46 -0.23 0.51 -0.72 0.00 0.40 -3.77 105.19 101.84 1ijp n GLY 32 Ca 0.12 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1ijp n GLY 32 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ijp h GLY 33 N 1.05 -1.30 0.69 -0.02 0.00 -1.32 -0.81 103.07 101.35 1ijp h GLY 33 Ca -0.22 0.53 0.06 0.00 0.00 0.00 0.00 47.33 47.70 1ijp h GLY 33 CO -0.02 -0.44 0.43 0.50 0.00 0.00 0.00 176.54 177.01 1ijp h LYS 34 N -1.18 0.76 -0.28 4.80 1.57 -1.69 -2.83 116.57 117.72 1ijp h LYS 34 Ca -0.10 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.50 1ijp h LYS 34 Cb 0.94 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1ijp h LYS 34 CO 0.11 0.50 -0.32 0.74 -0.57 0.00 0.00 179.45 179.91 1ijp h PHE 35 N 0.78 0.87 -0.20 -1.35 0.04 -1.72 -2.57 116.94 112.80 1ijp h PHE 35 Ca 0.33 -0.27 -0.16 0.00 2.80 0.00 0.00 57.97 60.66 1ijp h PHE 35 Cb 0.19 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1ijp h PHE 35 CO -0.06 1.03 -0.54 1.25 -0.60 0.00 0.00 178.31 179.39 1ijp h LEU 36 N 0.46 0.67 -1.07 1.54 7.12 -1.25 -1.33 115.31 121.45 1ijp h LEU 36 Ca 0.04 -0.35 0.17 0.00 0.13 0.00 0.00 57.88 57.87 1ijp h LEU 36 Cb 0.90 -0.19 -0.10 0.00 -0.53 0.00 0.00 40.66 40.74 1ijp h LEU 36 CO 0.08 1.08 0.62 -0.08 -0.13 0.00 0.00 178.44 180.00 1ijp h GLU 37 N 0.46 0.75 -0.08 1.25 4.81 -1.53 -0.74 114.58 119.50 1ijp h GLU 37 Ca 0.01 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1ijp h GLU 37 Cb 1.09 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1ijp h GLU 37 CO 0.10 0.50 -0.41 0.78 -0.73 0.00 0.00 179.01 179.25 1ijp h GLY 38 N 0.78 0.18 2.00 1.92 0.00 -1.36 -3.34 103.07 103.25 1ijp h GLY 38 Ca 0.54 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.64 1ijp h GLY 38 CO -0.33 0.15 -0.29 0.00 0.00 0.00 0.00 176.54 176.08 1ijp h ALA 39 N 1.44 0.88 0.00 3.60 0.00 -0.28 -3.36 119.26 121.54 1ijp h ALA 39 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ijp h ALA 39 Cb 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ijp h ALA 39 CO 0.06 0.36 0.20 0.00 0.00 0.00 0.00 179.25 179.87 1ijp h ALA 40 N 1.71 1.20 -0.57 0.00 0.00 -1.30 -2.85 119.26 117.45 1ijp h ALA 40 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ijp h ALA 40 Cb 1.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1ijp h ALA 40 CO 0.04 -0.20 0.38 -0.09 0.00 0.00 0.00 179.25 179.38 1ijp h ARG 41 N 0.00 0.61 -2.45 0.00 2.43 -1.83 -3.44 114.38 109.70 1ijp h ARG 41 Ca 0.00 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1ijp h ARG 41 Cb 0.39 -0.14 -0.25 0.00 -0.42 0.00 0.00 29.97 29.55 1ijp h ARG 41 CO 0.00 0.40 -0.21 -1.14 -1.51 0.00 0.00 179.97 177.52 1ijp s GLN 42 N -5.56 0.48 0.00 0.20 0.74 -1.08 -5.05 119.66 109.40 1ijp s GLN 42 Ca -0.09 0.93 0.12 0.00 0.05 0.00 0.00 55.36 56.37 1ijp s GLN 42 Cb 0.18 0.04 0.72 0.00 1.10 0.00 0.00 33.01 35.05 1ijp s GLN 42 CO 0.75 -0.16 1.17 -0.35 -0.55 0.00 0.00 175.29 176.15 1ijp n PRO 43 N 4.31 0.54 -3.18 1.67 -0.04 -1.26 -2.45 135.00 134.59 1ijp n PRO 43 Ca -0.22 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.02 1ijp n PRO 43 Cb 0.56 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 1ijp n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ijp n ASP 44 N -0.85 1.35 -4.90 3.54 8.00 -1.26 -5.03 116.55 117.40 1ijp n ASP 44 Ca 0.09 -3.03 -0.21 0.00 0.71 0.00 0.00 54.79 52.34 1ijp n ASP 44 Cb 0.04 -0.62 0.06 0.00 -0.02 0.00 0.00 41.12 40.58 1ijp n ASP 44 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ijp s LEU 45 N -2.18 3.20 0.08 0.64 1.43 -1.03 -4.99 118.68 115.83 1ijp s LEU 45 Ca 0.40 -0.21 -0.33 0.00 -1.03 0.00 0.00 54.13 52.96 1ijp s LEU 45 Cb 0.27 -2.50 -0.17 0.00 0.03 0.00 0.00 46.19 43.82 1ijp s LEU 45 CO -0.09 -1.34 1.62 0.40 0.23 0.00 0.00 176.35 177.16 1ijp h ILE 46 N -0.06 0.29 0.00 -0.59 5.03 -1.99 -2.58 117.51 117.61 1ijp h ILE 46 Ca -0.39 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.35 1ijp h ILE 46 Cb 1.29 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 35.36 1ijp h ILE 46 CO 0.47 0.00 0.07 1.55 -0.68 0.00 0.00 178.15 179.56 1ijp h PRO 47 N -0.87 0.00 -0.01 2.37 0.13 -1.96 -0.94 132.00 130.71 1ijp h PRO 47 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 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 0.07 0.00 -0.01 1.25 -0.23 0.00 0.00 178.00 179.08 1ijp h LEU 48 N 0.00 0.04 -1.86 1.56 7.12 -1.78 -1.02 115.31 119.37 1ijp h LEU 48 Ca 0.00 -0.47 -0.02 0.00 0.13 0.00 0.00 57.88 57.52 1ijp h LEU 48 Cb 0.14 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1ijp h LEU 48 CO 0.00 0.50 -0.09 -0.07 -0.13 0.00 0.00 178.44 178.65 1ijp h LEU 49 N -0.43 0.00 -0.23 2.25 3.38 -1.04 -1.93 115.31 117.30 1ijp h LEU 49 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ijp h LEU 49 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1ijp h LEU 49 CO 0.00 0.09 -0.07 0.03 0.09 0.00 0.00 178.44 178.58 1ijp h ARG 50 N 0.00 0.46 -0.34 1.13 3.08 -1.24 -2.36 114.38 115.10 1ijp h ARG 50 Ca -0.00 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 59.89 1ijp h ARG 50 Cb 0.17 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1ijp h ARG 50 CO 0.01 0.70 0.19 0.00 -1.07 0.00 0.00 179.97 179.80 1ijp h THR 51 N 0.18 1.01 -0.29 2.04 1.03 -1.01 0.92 112.91 116.80 1ijp h THR 51 Ca 0.06 -0.13 0.05 0.00 -0.01 0.00 0.00 66.41 66.38 1ijp h THR 51 Cb 0.54 0.59 -0.05 0.00 -1.07 0.00 0.00 68.15 68.17 1ijp h THR 51 CO 0.03 0.07 -0.01 1.56 -0.01 0.00 0.00 175.52 177.15 1ijp h GLN 52 N 0.38 0.07 0.77 0.00 1.08 -1.46 -1.61 115.11 114.34 1ijp h GLN 52 Ca 0.14 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.30 1ijp h GLN 52 Cb 0.03 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1ijp h GLN 52 CO -0.08 0.05 -0.37 0.35 -0.95 0.00 0.00 178.83 177.83 1ijp h PHE 53 N 0.07 -0.96 -0.88 2.96 3.57 -1.33 -2.67 116.94 117.70 1ijp h PHE 53 Ca 0.14 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1ijp h PHE 53 Cb 0.19 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1ijp h PHE 53 CO -0.23 -0.58 0.52 0.74 -2.23 0.00 0.00 178.31 176.53 1ijp h PHE 54 N -1.11 1.16 -0.47 0.41 -1.00 -0.84 -0.55 116.94 114.54 1ijp h PHE 54 Ca -0.11 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.62 1ijp h PHE 54 Cb 0.81 -0.38 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 1ijp h PHE 54 CO -0.01 0.78 0.11 0.82 -1.61 0.00 0.00 178.31 178.41 1ijp h ILE 55 N 1.21 1.24 -0.20 -0.55 2.04 -1.38 -3.11 117.51 116.76 1ijp h ILE 55 Ca 0.31 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1ijp h ILE 55 Cb -0.03 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1ijp h ILE 55 CO -0.06 0.30 0.09 0.58 0.00 0.00 0.00 178.15 179.06 1ijp h VAL 56 N 0.63 1.15 -0.75 1.67 2.07 -1.18 -2.81 116.25 117.02 1ijp h VAL 56 Ca 0.15 -0.43 0.12 0.00 0.82 0.00 0.00 66.70 67.36 1ijp h VAL 56 Cb 0.33 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1ijp h VAL 56 CO 0.00 0.14 0.34 0.24 0.02 0.00 0.00 177.57 178.32 1ijp h MET 57 N 0.18 0.52 0.24 1.57 2.86 -1.16 0.20 114.93 119.34 1ijp h MET 57 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1ijp h MET 57 Cb 0.14 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1ijp h MET 57 CO -0.01 0.35 -0.11 0.78 1.06 0.00 0.00 176.91 178.98 1ijp h GLY 58 N 0.54 -0.33 1.12 8.32 0.00 -1.62 -2.64 103.07 108.45 1ijp h GLY 58 Ca 0.39 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1ijp h GLY 58 CO -0.34 -0.12 0.01 -0.10 0.00 0.00 0.00 176.54 176.00 1ijp n LEU 59 N -2.90 0.00 -0.05 3.11 7.94 -1.06 -0.84 117.00 123.20 1ijp n LEU 59 Ca -0.04 0.12 -0.01 0.00 -1.11 0.00 0.00 56.01 54.97 1ijp n LEU 59 Cb 0.13 -0.12 -0.16 0.00 0.53 0.00 0.00 43.42 43.80 1ijp n LEU 59 CO 0.10 -0.12 -0.91 0.52 -1.11 0.00 0.00 177.39 175.87 1ijp n VAL 60 N -1.07 0.83 -0.27 1.96 0.31 0.05 -2.34 118.33 117.79 1ijp n VAL 60 Ca 0.00 -0.70 0.07 0.00 -0.01 0.00 0.00 64.34 63.70 1ijp n VAL 60 Cb 0.01 -0.31 0.21 0.00 -0.91 0.00 0.00 33.84 32.85 1ijp n VAL 60 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1ijp h ASP 61 N 0.00 0.31 0.00 4.52 5.19 -0.60 -2.56 116.42 123.29 1ijp h ASP 61 Ca -0.29 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1ijp h ASP 61 Cb 1.69 0.09 0.00 0.00 0.18 0.00 0.00 39.33 41.29 1ijp h ASP 61 CO 0.02 0.10 0.00 0.00 -3.12 0.00 0.00 179.24 176.24 1ijp n ALA 62 N -2.50 -0.13 0.16 3.45 0.00 -1.02 -3.34 120.51 117.12 1ijp n ALA 62 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 1ijp n ALA 62 Cb 0.46 0.19 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 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 0.31 0.39 0.00 2.04 -1.45 -1.45 117.51 117.34 1ijp h ILE 63 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ijp h ILE 63 Cb 0.00 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1ijp h ILE 63 CO 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.96 1ijp h ALA 64 N -0.03 -0.52 -0.21 1.87 0.00 -1.66 -2.84 119.26 115.87 1ijp h ALA 64 Ca 0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1ijp h ALA 64 Cb 0.60 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ijp h ALA 64 CO -0.14 -0.71 -0.34 0.52 0.00 0.00 0.00 179.25 178.58 1ijp h MET 65 N -0.70 0.44 0.83 0.00 2.86 -1.61 -2.62 114.93 114.14 1ijp h MET 65 Ca -0.05 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.35 1ijp h MET 65 Cb 0.49 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.15 1ijp h MET 65 CO 0.09 0.73 -0.40 0.97 1.06 0.00 0.00 176.91 179.36 1ijp h ILE 66 N 0.38 0.00 -0.74 -1.22 2.10 -1.34 -2.32 117.51 114.36 1ijp h ILE 66 Ca 0.04 -0.14 -0.05 0.00 1.08 0.00 0.00 64.86 65.80 1ijp h ILE 66 Cb 0.78 0.00 -0.03 0.00 -1.09 0.00 0.00 36.82 36.48 1ijp h ILE 66 CO 0.06 0.00 0.27 0.00 -1.08 0.00 0.00 178.15 177.40 1ijp h ALA 67 N -1.35 0.97 0.16 0.18 0.00 -1.60 -0.26 119.26 117.36 1ijp h ALA 67 Ca -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ijp h ALA 67 Cb 0.86 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ijp h ALA 67 CO 0.19 0.62 -0.08 0.28 0.00 0.00 0.00 179.25 180.26 1ijp h VAL 68 N 1.08 0.96 -0.41 0.00 2.07 -1.62 -2.56 116.25 115.78 1ijp h VAL 68 Ca 0.24 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1ijp h VAL 68 Cb 0.25 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1ijp h VAL 68 CO -0.02 0.14 -0.13 1.23 0.02 0.00 0.00 177.57 178.81 1ijp h GLY 69 N -0.50 0.88 0.95 2.17 0.00 -1.42 -2.50 103.07 102.64 1ijp h GLY 69 Ca -0.02 -0.74 -0.07 0.00 0.00 0.00 0.00 47.33 46.49 1ijp h GLY 69 CO 0.04 0.68 -0.05 -2.00 0.00 0.00 0.00 176.54 175.21 1ijp h LEU 70 N 0.62 0.70 -0.78 3.11 5.85 -1.19 -2.40 115.31 121.22 1ijp h LEU 70 Ca 0.10 -0.34 0.17 0.00 0.84 0.00 0.00 57.88 58.66 1ijp h LEU 70 Cb 0.67 -0.19 -0.14 0.00 0.37 0.00 0.00 40.66 41.36 1ijp h LEU 70 CO 0.05 0.88 -0.07 1.23 -0.34 0.00 0.00 178.44 180.18 1ijp h GLY 71 N 0.52 0.77 0.46 3.75 0.00 -1.52 -2.02 103.07 105.02 1ijp h GLY 71 Ca 0.10 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1ijp h GLY 71 CO 0.03 -0.31 -0.14 -2.00 0.00 0.00 0.00 176.54 174.12 1ijp h LEU 72 N 0.06 -0.32 -0.98 3.11 5.85 -1.34 -2.10 115.31 119.58 1ijp h LEU 72 Ca 0.41 -0.20 0.28 0.00 0.84 0.00 0.00 57.88 59.22 1ijp h LEU 72 Cb 0.71 0.08 -0.18 0.00 0.37 0.00 0.00 40.66 41.65 1ijp h LEU 72 CO -0.74 0.15 0.08 0.22 -0.34 0.00 0.00 178.44 177.80 1ijp h TYR 73 N -0.93 0.04 -0.07 1.25 3.20 -1.52 -1.38 116.97 117.56 1ijp h TYR 73 Ca -0.04 0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 1ijp h TYR 73 Cb 0.50 0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.92 1ijp h TYR 73 CO 0.04 -0.42 -0.51 0.28 -1.64 0.00 0.00 178.16 175.91 1ijp h VAL 74 N 0.02 1.39 -0.42 1.81 2.07 -1.43 -1.74 116.25 117.95 1ijp h VAL 74 Ca 0.61 -1.89 0.09 0.00 0.82 0.00 0.00 66.70 66.33 1ijp h VAL 74 Cb 1.30 2.32 -0.08 0.00 -1.52 0.00 0.00 31.29 33.31 1ijp h VAL 74 CO -0.89 0.56 -0.13 -0.03 0.02 0.00 0.00 177.57 177.09 1ijp h MET 75 N 0.03 -0.03 -0.39 1.57 1.85 -1.15 -1.89 114.93 114.92 1ijp h MET 75 Ca -0.04 0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 58.91 1ijp h MET 75 Cb 1.18 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.20 1ijp h MET 75 CO 0.10 -0.02 -0.30 0.74 -0.40 0.00 0.00 176.91 177.03 1ijp h PHE 76 N -0.04 1.00 -0.50 1.39 0.04 -1.33 -1.33 116.94 116.18 1ijp h PHE 76 Ca 0.20 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1ijp h PHE 76 Cb 0.35 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1ijp h PHE 76 CO -0.39 1.05 0.19 0.00 -0.60 0.00 0.00 178.31 178.56 1ijp h ALA 77 N 0.93 0.65 0.39 2.45 0.00 -1.30 -3.34 119.26 119.05 1ijp h ALA 77 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ijp h ALA 77 Cb 0.86 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ijp h ALA 77 CO 0.08 0.27 -0.19 0.28 0.00 0.00 0.00 179.25 179.68 1ijp h VAL 78 N 0.67 0.00 -0.02 0.00 2.07 -1.42 -3.51 116.25 114.03 1ijp h VAL 78 Ca 0.17 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1ijp h VAL 78 Cb 0.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1ijp h VAL 78 CO -0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.58