#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 -1.17 -0.07 3.17 4.71 -1.26 -4.69 120.64 121.33 1ijp n GLU 2 Ca 0.00 1.38 0.06 0.00 -0.01 0.00 0.00 57.16 58.59 1ijp n GLU 2 Cb 0.00 -5.19 0.42 0.00 -1.01 0.00 0.00 31.44 25.65 1ijp n GLU 2 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 1ijp h ASN 3 N 0.43 0.51 -0.04 1.62 -1.24 -2.06 -1.90 115.58 112.90 1ijp h ASN 3 Ca 0.00 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 1ijp h ASN 3 Cb 1.00 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.93 1ijp h ASN 3 CO 0.26 0.35 0.02 -0.07 -1.29 0.00 0.00 177.43 176.70 1ijp h LEU 4 N 0.59 0.06 -1.03 0.34 3.38 -1.99 -1.85 115.31 114.81 1ijp h LEU 4 Ca 0.22 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1ijp h LEU 4 Cb 0.14 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1ijp h LEU 4 CO -0.06 0.13 0.65 -1.13 0.09 0.00 0.00 178.44 178.12 1ijp h ASN 5 N -0.02 1.08 -0.28 -0.43 -0.73 -1.83 -2.05 115.58 111.32 1ijp h ASN 5 Ca 0.02 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.14 1ijp h ASN 5 Cb 0.09 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 1ijp h ASN 5 CO -0.00 0.74 0.03 0.24 -0.37 0.00 0.00 177.43 178.06 1ijp h MET 6 N 1.25 0.48 -0.28 6.67 2.86 -1.32 -1.31 114.93 123.27 1ijp h MET 6 Ca 0.39 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.84 1ijp h MET 6 Cb 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1ijp h MET 6 CO -0.12 0.61 -0.05 -0.44 1.06 0.00 0.00 176.91 177.97 1ijp h ASP 7 N 0.28 0.41 0.03 1.22 3.45 -1.36 -1.45 116.42 119.00 1ijp h ASP 7 Ca 0.08 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ijp h ASP 7 Cb 0.38 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 1ijp h ASP 7 CO 0.01 0.52 -0.01 -0.07 -1.57 0.00 0.00 179.24 178.11 1ijp h LEU 8 N 0.42 -0.03 -0.03 1.55 3.38 -1.34 -2.66 115.31 116.60 1ijp h LEU 8 Ca 0.09 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1ijp h LEU 8 Cb 0.36 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1ijp h LEU 8 CO 0.02 0.16 -0.12 0.25 0.09 0.00 0.00 178.44 178.84 1ijp h LEU 9 N -0.23 -0.35 0.00 1.67 5.85 -1.20 -2.62 115.31 118.44 1ijp h LEU 9 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ijp h LEU 9 Cb 0.21 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1ijp h LEU 9 CO 0.01 -0.16 0.00 0.00 -0.34 0.00 0.00 178.44 177.94 1ijp n TYR 10 N -5.25 0.00 -0.08 1.25 4.19 -0.55 -1.57 117.16 115.15 1ijp n TYR 10 Ca -0.05 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 61.01 1ijp n TYR 10 Cb 0.17 -0.28 -0.04 0.00 0.49 0.00 0.00 39.34 39.68 1ijp n TYR 10 CO 0.00 0.00 0.00 1.98 0.91 0.00 0.00 176.86 179.75 1ijp h MET 11 N 0.00 0.87 -0.96 2.98 4.05 -1.50 -2.54 114.93 117.83 1ijp h MET 11 Ca 0.00 -0.55 0.14 0.00 -0.28 0.00 0.00 59.70 59.01 1ijp h MET 11 Cb 0.00 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 30.78 1ijp h MET 11 CO 0.00 1.19 0.61 0.00 0.23 0.00 0.00 176.91 178.93 1ijp h ALA 12 N 0.68 1.69 0.02 0.39 0.00 -1.59 -0.94 119.26 119.50 1ijp h ALA 12 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ijp h ALA 12 Cb 1.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ijp h ALA 12 CO 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.41 1ijp h ALA 13 N 1.58 -0.03 -0.40 0.00 0.00 -0.89 -0.53 119.26 118.99 1ijp h ALA 13 Ca 0.49 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1ijp h ALA 13 Cb 0.65 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1ijp h ALA 13 CO -0.25 -0.36 -0.06 0.00 0.00 0.00 0.00 179.25 178.58 1ijp h ALA 14 N 0.63 1.15 0.31 0.00 0.00 -1.50 -0.02 119.26 119.82 1ijp h ALA 14 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1ijp h ALA 14 Cb 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ijp h ALA 14 CO 0.00 0.54 -0.15 0.28 0.00 0.00 0.00 179.25 179.93 1ijp h VAL 15 N 0.63 0.72 0.16 0.00 2.07 -1.24 -1.67 116.25 116.91 1ijp h VAL 15 Ca 0.12 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1ijp h VAL 15 Cb 0.48 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1ijp h VAL 15 CO 0.02 0.05 -0.07 -0.03 0.02 0.00 0.00 177.57 177.56 1ijp h MET 16 N -0.54 -0.20 0.00 1.57 -1.53 -1.11 -3.13 114.93 109.99 1ijp h MET 16 Ca -0.04 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 1ijp h MET 16 Cb 0.40 0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.49 1ijp h MET 16 CO 0.07 0.09 -0.59 0.52 0.14 0.00 0.00 176.91 177.14 1ijp h MET 17 N -0.49 0.00 0.00 0.39 2.86 -1.15 -3.29 114.93 113.24 1ijp h MET 17 Ca -0.02 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1ijp h MET 17 Cb 0.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1ijp h MET 17 CO 0.03 0.00 -0.42 0.78 1.06 0.00 0.00 176.91 178.37 1ijp h GLY 18 N 4.36 0.00 0.02 8.32 0.00 -1.44 -2.67 103.07 111.65 1ijp h GLY 18 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 1ijp h GLY 18 CO 0.00 0.00 0.14 -2.00 0.00 0.00 0.00 176.54 174.68 1ijp h LEU 19 N 0.00 -0.02 -1.65 3.11 5.85 -1.61 -2.55 115.31 118.44 1ijp h LEU 19 Ca -0.00 0.13 0.31 0.00 0.84 0.00 0.00 57.88 59.16 1ijp h LEU 19 Cb 1.10 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.28 1ijp h LEU 19 CO 0.05 -0.03 0.98 -0.65 -0.34 0.00 0.00 178.44 178.46 1ijp h PRO 20 N 0.25 0.00 -0.83 5.25 0.11 -1.79 0.04 132.00 135.03 1ijp h PRO 20 Ca 0.37 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.54 1ijp h PRO 20 Cb 0.60 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.66 1ijp h PRO 20 CO -0.47 0.00 0.54 0.00 -0.21 0.00 0.00 178.00 177.86 1ijp h ALA 21 N 1.04 1.57 0.02 -0.75 0.00 -1.67 -1.02 119.26 118.44 1ijp h ALA 21 Ca 0.51 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1ijp h ALA 21 Cb 2.47 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1ijp h ALA 21 CO -0.01 0.32 -0.01 0.82 0.00 0.00 0.00 179.25 180.37 1ijp h ILE 22 N 0.94 1.28 -0.16 0.00 2.04 -1.47 -3.34 117.51 116.79 1ijp h ILE 22 Ca 0.35 -1.84 0.02 0.00 1.00 0.00 0.00 64.86 64.38 1ijp h ILE 22 Cb 0.18 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 1ijp h ILE 22 CO -0.12 0.41 -0.18 1.23 0.00 0.00 0.00 178.15 179.49 1ijp h GLY 23 N -0.95 -1.72 2.00 5.37 0.00 -0.95 -2.36 103.07 104.45 1ijp h GLY 23 Ca -0.00 0.84 0.00 0.00 0.00 0.00 0.00 47.33 48.17 1ijp h GLY 23 CO 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 176.54 175.98 1ijp h ALA 24 N -0.83 1.00 0.11 3.60 0.00 -1.45 -1.20 119.26 120.50 1ijp h ALA 24 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ijp h ALA 24 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ijp h ALA 24 CO -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 178.98 1ijp h ALA 25 N 2.25 -0.15 -0.99 0.00 0.00 -1.65 0.45 119.26 119.17 1ijp h ALA 25 Ca 0.00 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1ijp h ALA 25 Cb 0.55 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1ijp h ALA 25 CO 0.00 -0.41 0.62 0.82 0.00 0.00 0.00 179.25 180.28 1ijp h ILE 26 N -0.50 0.91 -0.11 0.00 2.04 -1.48 -2.83 117.51 115.54 1ijp h ILE 26 Ca -0.02 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1ijp h ILE 26 Cb 0.41 -0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.28 1ijp h ILE 26 CO 0.03 0.18 -0.52 1.23 0.00 0.00 0.00 178.15 179.06 1ijp h GLY 27 N 0.97 -1.02 -0.82 5.37 0.00 -1.13 -2.73 103.07 103.71 1ijp h GLY 27 Ca 0.49 0.65 0.17 0.00 0.00 0.00 0.00 47.33 48.64 1ijp h GLY 27 CO -0.27 -0.21 -0.28 -2.22 0.00 0.00 0.00 176.54 173.57 1ijp h ILE 28 N -0.59 0.08 -0.15 2.60 1.08 -0.80 0.61 117.51 120.33 1ijp h ILE 28 Ca 0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.54 1ijp h ILE 28 Cb 0.68 0.08 -0.07 0.00 -3.07 0.00 0.00 36.82 34.45 1ijp h ILE 28 CO -0.42 0.00 -0.54 1.23 -0.69 0.00 0.00 178.15 177.73 1ijp h GLY 29 N -0.02 -1.07 0.97 5.37 0.00 -1.25 0.13 103.07 107.20 1ijp h GLY 29 Ca 0.39 0.68 -0.21 0.00 0.00 0.00 0.00 47.33 48.20 1ijp h GLY 29 CO -0.92 -0.19 -0.82 0.16 0.00 0.00 0.00 176.54 174.76 1ijp h ILE 30 N -0.57 1.37 0.54 2.60 -0.00 -1.37 -2.25 117.51 117.83 1ijp h ILE 30 Ca 0.04 -2.19 -0.03 0.00 -0.00 0.00 0.00 64.86 62.68 1ijp h ILE 30 Cb 0.68 2.56 0.00 0.00 -0.00 0.00 0.00 36.82 40.06 1ijp h ILE 30 CO -0.45 0.65 -0.27 -0.07 -0.00 0.00 0.00 178.15 178.02 1ijp h LEU 31 N 0.09 -0.64 -1.01 0.16 3.38 -0.96 0.32 115.31 116.66 1ijp h LEU 31 Ca -0.11 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.11 1ijp h LEU 31 Cb 1.52 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 42.32 1ijp h LEU 31 CO 0.16 -0.45 0.60 1.23 0.09 0.00 0.00 178.44 180.07 1ijp h GLY 32 N -0.74 1.86 0.93 0.83 0.00 -0.89 0.11 103.07 105.18 1ijp h GLY 32 Ca -0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1ijp h GLY 32 CO 0.11 -0.18 -0.19 -1.33 0.00 0.00 0.00 176.54 174.95 1ijp h GLY 33 N 0.64 -0.51 0.16 4.60 0.00 -1.20 -0.30 103.07 106.45 1ijp h GLY 33 Ca 0.62 0.21 0.09 0.00 0.00 0.00 0.00 47.33 48.26 1ijp h GLY 33 CO -0.44 -0.20 -0.04 0.50 0.00 0.00 0.00 176.54 176.36 1ijp h LYS 34 N -0.50 0.07 -0.78 4.80 1.57 -0.78 -2.53 116.57 118.42 1ijp h LYS 34 Ca -0.04 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1ijp h LYS 34 Cb 0.40 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 1ijp h LYS 34 CO 0.05 0.05 0.48 0.35 -0.57 0.00 0.00 179.45 179.80 1ijp h PHE 35 N 0.07 0.88 -0.19 -1.35 3.57 -0.78 -2.38 116.94 116.76 1ijp h PHE 35 Ca 0.24 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.56 1ijp h PHE 35 Cb 0.36 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1ijp h PHE 35 CO -0.34 0.46 -0.68 1.37 -2.23 0.00 0.00 178.31 176.90 1ijp h LEU 36 N 0.89 0.87 -1.08 0.59 8.10 -0.95 -0.27 115.31 123.47 1ijp h LEU 36 Ca 0.33 -0.53 0.13 0.00 0.11 0.00 0.00 57.88 57.92 1ijp h LEU 36 Cb 0.12 -0.25 -0.08 0.00 -0.44 0.00 0.00 40.66 40.00 1ijp h LEU 36 CO -0.15 1.31 0.62 -0.08 -4.11 0.00 0.00 178.44 176.03 1ijp h GLU 37 N 0.54 0.88 -0.69 0.17 4.81 -1.50 -0.73 114.58 118.07 1ijp h GLU 37 Ca -0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1ijp h GLU 37 Cb 1.29 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1ijp h GLU 37 CO 0.14 0.58 0.41 0.78 -0.73 0.00 0.00 179.01 180.19 1ijp h GLY 38 N 0.91 1.00 1.38 1.92 0.00 -1.19 -2.96 103.07 104.14 1ijp h GLY 38 Ca 0.49 -0.41 -0.21 0.00 0.00 0.00 0.00 47.33 47.20 1ijp h GLY 38 CO -0.26 0.40 -0.76 0.00 0.00 0.00 0.00 176.54 175.92 1ijp h ALA 39 N 1.50 0.44 -0.86 3.60 0.00 -0.11 -1.31 119.26 122.52 1ijp h ALA 39 Ca 0.25 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ijp h ALA 39 Cb -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1ijp h ALA 39 CO -0.05 0.72 0.55 0.00 0.00 0.00 0.00 179.25 180.48 1ijp h ALA 40 N 0.73 1.09 0.18 0.00 0.00 -1.28 -3.30 119.26 116.69 1ijp h ALA 40 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ijp h ALA 40 Cb 1.37 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ijp h ALA 40 CO 0.14 0.52 -0.09 -0.09 0.00 0.00 0.00 179.25 179.74 1ijp h ARG 41 N 1.17 -0.23 -2.33 0.00 2.43 -1.51 -3.47 114.38 110.43 1ijp h ARG 41 Ca 0.31 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1ijp h ARG 41 Cb -0.10 0.05 -0.25 0.00 -0.42 0.00 0.00 29.97 29.25 1ijp h ARG 41 CO -0.06 0.18 -0.28 -1.14 -1.51 0.00 0.00 179.97 177.15 1ijp s GLN 42 N -3.75 0.41 0.00 0.20 -0.44 -0.50 -5.07 119.66 110.52 1ijp s GLN 42 Ca -0.13 1.18 0.08 0.00 -2.50 0.00 0.00 55.36 53.99 1ijp s GLN 42 Cb 0.01 0.52 0.39 0.00 -1.64 0.00 0.00 33.01 32.29 1ijp s GLN 42 CO 0.51 -0.23 1.13 -0.35 0.50 0.00 0.00 175.29 176.85 1ijp n PRO 43 N 5.40 0.10 -2.90 1.67 -0.04 -1.24 -2.58 135.00 135.40 1ijp n PRO 43 Ca -0.10 0.23 -0.25 0.00 -0.04 0.00 0.00 63.50 63.35 1ijp n PRO 43 Cb 0.49 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.31 3.71 -4.87 3.54 8.00 -1.26 -5.00 116.55 119.36 1ijp n ASP 44 Ca 0.03 -3.52 -0.31 0.00 0.71 0.00 0.00 54.79 51.70 1ijp n ASP 44 Cb 0.07 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 -3.28 3.36 0.03 0.64 1.43 -1.07 -4.98 118.68 114.81 1ijp s LEU 45 Ca 0.46 1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 54.66 1ijp s LEU 45 Cb 0.32 -4.40 -0.17 0.00 0.03 0.00 0.00 46.19 41.98 1ijp s LEU 45 CO -0.13 -0.77 1.29 0.40 0.23 0.00 0.00 176.35 177.37 1ijp h ILE 46 N -0.01 0.26 -0.11 -0.59 5.03 -1.99 -2.29 117.51 117.82 1ijp h ILE 46 Ca -0.45 -0.28 0.03 0.00 -0.12 0.00 0.00 64.86 64.04 1ijp h ILE 46 Cb 1.19 0.34 -0.00 0.00 -3.03 0.00 0.00 36.82 35.31 1ijp h ILE 46 CO 0.62 0.03 0.39 1.55 -0.68 0.00 0.00 178.15 180.05 1ijp h PRO 47 N -1.05 0.00 0.13 2.37 0.13 -1.99 -2.45 132.00 129.14 1ijp h PRO 47 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1ijp h PRO 47 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1ijp h PRO 47 CO 0.14 0.00 -0.06 1.25 -0.23 0.00 0.00 178.00 179.10 1ijp h LEU 48 N 0.00 -0.14 -1.27 1.56 6.46 -1.86 -2.22 115.31 117.83 1ijp h LEU 48 Ca 0.05 -0.42 0.05 0.00 -0.12 0.00 0.00 57.88 57.45 1ijp h LEU 48 Cb 0.83 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.74 1ijp h LEU 48 CO -0.00 0.43 0.52 0.17 -0.62 0.00 0.00 178.44 178.93 1ijp h LEU 49 N -0.80 0.79 -0.22 2.25 8.10 -1.32 -0.58 115.31 123.52 1ijp h LEU 49 Ca -0.02 -0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.03 1ijp h LEU 49 Cb 0.55 -0.17 -0.06 0.00 -0.44 0.00 0.00 40.66 40.54 1ijp h LEU 49 CO 0.03 0.52 -0.15 0.03 -4.11 0.00 0.00 178.44 174.76 1ijp h ARG 50 N 0.90 -0.14 0.00 0.17 2.47 -1.57 -2.71 114.38 113.50 1ijp h ARG 50 Ca 0.33 0.01 -0.21 0.00 -1.26 0.00 0.00 59.98 58.85 1ijp h ARG 50 Cb 0.16 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 1ijp h ARG 50 CO -0.11 -0.09 -1.32 1.15 0.56 0.00 0.00 179.97 180.16 1ijp h THR 51 N -0.15 0.90 -0.83 2.04 2.02 -0.96 -1.63 112.91 114.30 1ijp h THR 51 Ca 0.13 -2.55 -0.02 0.00 0.77 0.00 0.00 66.41 64.74 1ijp h THR 51 Cb 0.34 2.38 -0.04 0.00 -1.74 0.00 0.00 68.15 69.09 1ijp h THR 51 CO -0.31 0.52 0.45 0.06 0.37 0.00 0.00 175.52 176.60 1ijp h GLN 52 N 0.00 1.17 -0.51 6.66 3.07 -1.26 -0.61 115.11 123.63 1ijp h GLN 52 Ca -0.16 -0.14 0.10 0.00 0.09 0.00 0.00 58.65 58.54 1ijp h GLN 52 Cb 1.75 -0.23 -0.08 0.00 0.08 0.00 0.00 27.48 29.00 1ijp h GLN 52 CO 0.08 0.87 0.02 0.35 0.09 0.00 0.00 178.83 180.23 1ijp h PHE 53 N 1.16 0.01 -0.80 0.06 3.57 -1.48 -2.72 116.94 116.74 1ijp h PHE 53 Ca 0.29 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.80 1ijp h PHE 53 Cb 0.04 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1ijp h PHE 53 CO 0.01 -0.10 0.40 0.74 -2.23 0.00 0.00 178.31 177.13 1ijp h PHE 54 N 0.14 1.14 -0.66 0.41 0.04 -1.10 -2.11 116.94 114.81 1ijp h PHE 54 Ca 0.26 -0.05 0.13 0.00 2.80 0.00 0.00 57.97 61.11 1ijp h PHE 54 Cb 0.39 -0.36 -0.09 0.00 2.20 0.00 0.00 35.95 38.09 1ijp h PHE 54 CO -0.30 0.82 0.16 0.82 -0.60 0.00 0.00 178.31 179.21 1ijp h ILE 55 N 1.13 0.60 0.51 -0.55 2.04 -1.07 -1.07 117.51 119.11 1ijp h ILE 55 Ca 0.28 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 1ijp h ILE 55 Cb 0.10 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1ijp h ILE 55 CO -0.04 0.05 -0.24 0.58 0.00 0.00 0.00 178.15 178.50 1ijp h VAL 56 N 0.28 0.00 -0.10 1.67 2.07 -1.27 -3.01 116.25 115.89 1ijp h VAL 56 Ca 0.35 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1ijp h VAL 56 Cb 0.55 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1ijp h VAL 56 CO -0.44 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 176.93 1ijp h MET 57 N -1.00 0.17 0.43 1.57 -0.00 -1.44 -0.88 114.93 113.78 1ijp h MET 57 Ca -0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 59.70 59.56 1ijp h MET 57 Cb 0.52 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1ijp h MET 57 CO 0.11 0.40 -0.21 0.78 -0.00 0.00 0.00 176.91 178.00 1ijp h GLY 58 N 0.87 -0.60 1.95 -3.00 0.00 -1.36 -2.18 103.07 98.75 1ijp h GLY 58 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1ijp h GLY 58 CO 0.03 -0.22 0.01 -0.10 0.00 0.00 0.00 176.54 176.27 1ijp n LEU 59 N -3.57 0.23 0.15 3.11 -0.00 -1.14 -0.15 117.00 115.64 1ijp n LEU 59 Ca -0.07 0.60 0.06 0.00 -0.00 0.00 0.00 56.01 56.60 1ijp n LEU 59 Cb 0.23 -0.62 0.06 0.00 -0.00 0.00 0.00 43.42 43.09 1ijp n LEU 59 CO 0.17 -0.68 0.48 1.62 -0.00 0.00 0.00 177.39 178.99 1ijp h VAL 60 N 0.00 0.46 -0.06 1.96 3.04 -1.16 -2.35 116.25 118.14 1ijp h VAL 60 Ca 0.00 -1.67 0.02 0.00 -1.01 0.00 0.00 66.70 64.04 1ijp h VAL 60 Cb 0.03 2.16 -0.04 0.00 -2.01 0.00 0.00 31.29 31.43 1ijp h VAL 60 CO 0.00 0.26 -0.37 -0.78 -1.01 0.00 0.00 177.57 175.67 1ijp h ASP 61 N 0.00 -1.17 -0.40 3.17 1.82 0.13 -2.64 116.42 117.32 1ijp h ASP 61 Ca -0.02 0.14 0.04 0.00 -0.39 0.00 0.00 57.03 56.80 1ijp h ASP 61 Cb 1.24 0.45 -0.06 0.00 0.68 0.00 0.00 39.33 41.64 1ijp h ASP 61 CO 0.04 -0.34 -0.35 0.00 -1.61 0.00 0.00 179.24 176.97 1ijp h ALA 62 N -0.70 -0.48 0.30 -0.78 0.00 -1.56 -2.66 119.26 113.38 1ijp h ALA 62 Ca 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ijp h ALA 62 Cb 0.48 1.08 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1ijp h ALA 62 CO -0.28 -0.68 -0.14 0.82 0.00 0.00 0.00 179.25 178.97 1ijp h ILE 63 N -0.14 0.70 -0.01 0.00 1.08 -1.51 -2.19 117.51 115.44 1ijp h ILE 63 Ca 0.07 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1ijp h ILE 63 Cb 0.31 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1ijp h ILE 63 CO -0.45 0.12 0.00 0.00 -0.69 0.00 0.00 178.15 177.13 1ijp h ALA 64 N -0.20 0.01 -0.31 1.87 0.00 -1.58 -2.80 119.26 116.25 1ijp h ALA 64 Ca -0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1ijp h ALA 64 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ijp h ALA 64 CO 0.07 -0.47 -0.16 0.52 0.00 0.00 0.00 179.25 179.20 1ijp h MET 65 N -0.02 0.66 -0.65 0.00 2.86 -1.60 -2.61 114.93 113.57 1ijp h MET 65 Ca 0.00 -0.29 0.05 0.00 -2.06 0.00 0.00 59.70 57.40 1ijp h MET 65 Cb 0.03 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.63 1ijp h MET 65 CO -0.00 0.89 0.36 0.97 1.06 0.00 0.00 176.91 180.19 1ijp h ILE 66 N 0.42 0.98 -0.63 -1.22 -0.00 -1.02 -1.17 117.51 114.88 1ijp h ILE 66 Ca 0.07 -0.23 0.01 0.00 -0.00 0.00 0.00 64.86 64.71 1ijp h ILE 66 Cb 0.70 0.25 -0.03 0.00 -0.00 0.00 0.00 36.82 37.73 1ijp h ILE 66 CO 0.05 0.12 0.42 0.00 -0.00 0.00 0.00 178.15 178.74 1ijp h ALA 67 N 1.33 1.57 0.29 0.18 0.00 -1.54 -0.98 119.26 120.11 1ijp h ALA 67 Ca 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ijp h ALA 67 Cb 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ijp h ALA 67 CO -0.17 0.39 -0.14 0.28 0.00 0.00 0.00 179.25 179.61 1ijp h VAL 68 N 0.83 0.74 -0.40 0.00 2.07 -1.03 -1.88 116.25 116.57 1ijp h VAL 68 Ca 0.23 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1ijp h VAL 68 Cb -0.06 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1ijp h VAL 68 CO -0.05 0.11 0.02 1.23 0.02 0.00 0.00 177.57 178.90 1ijp h GLY 69 N -0.70 0.74 0.55 2.17 0.00 -1.25 -1.88 103.07 102.69 1ijp h GLY 69 Ca -0.04 -0.53 0.05 0.00 0.00 0.00 0.00 47.33 46.82 1ijp h GLY 69 CO 0.06 0.48 0.03 -2.00 0.00 0.00 0.00 176.54 175.12 1ijp h LEU 70 N 0.52 -0.06 -0.74 3.11 5.85 -1.34 -2.69 115.31 119.97 1ijp h LEU 70 Ca 0.12 0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.04 1ijp h LEU 70 Cb 0.44 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.43 1ijp h LEU 70 CO 0.02 0.01 -0.25 1.23 -0.34 0.00 0.00 178.44 179.10 1ijp h GLY 71 N 0.14 0.31 0.54 3.75 0.00 -1.26 -1.37 103.07 105.19 1ijp h GLY 71 Ca 0.16 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1ijp h GLY 71 CO -0.23 -0.26 -0.12 -2.00 0.00 0.00 0.00 176.54 173.92 1ijp h LEU 72 N -0.05 -0.29 -0.75 3.11 5.85 -1.26 -2.65 115.31 119.27 1ijp h LEU 72 Ca 0.33 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1ijp h LEU 72 Cb 0.56 0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.55 1ijp h LEU 72 CO -0.78 0.15 -0.31 0.00 -0.34 0.00 0.00 178.44 177.16 1ijp n TYR 73 N -5.05 -0.02 0.05 1.25 9.36 -1.02 -2.34 117.16 119.38 1ijp n TYR 73 Ca -0.09 0.93 -0.12 0.00 3.32 0.00 0.00 57.90 61.94 1ijp n TYR 73 Cb 0.26 -0.75 -0.01 0.00 -0.63 0.00 0.00 39.34 38.21 1ijp n TYR 73 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 1ijp h VAL 74 N 0.00 1.37 -0.05 2.97 3.04 -1.25 0.15 116.25 122.47 1ijp h VAL 74 Ca 0.24 -2.22 -0.03 0.00 -1.01 0.00 0.00 66.70 63.69 1ijp h VAL 74 Cb 0.43 2.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 1ijp h VAL 74 CO -0.74 0.67 -0.09 0.24 -1.01 0.00 0.00 177.57 176.64 1ijp h MET 75 N 0.30 0.08 0.02 4.17 2.86 -1.45 -1.97 114.93 118.93 1ijp h MET 75 Ca -0.05 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ijp h MET 75 Cb 1.41 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.06 1ijp h MET 75 CO 0.14 0.18 -0.01 0.74 1.06 0.00 0.00 176.91 179.02 1ijp h PHE 76 N 0.07 -0.02 0.20 -0.22 0.04 -1.29 -3.39 116.94 112.33 1ijp h PHE 76 Ca 0.02 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1ijp h PHE 76 Cb 0.22 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1ijp h PHE 76 CO 0.00 0.67 -0.10 0.00 -0.60 0.00 0.00 178.31 178.28 1ijp h ALA 77 N -0.25 -0.27 -2.54 2.45 0.00 -1.06 -3.38 119.26 114.21 1ijp h ALA 77 Ca -0.00 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 54.18 1ijp h ALA 77 Cb 0.70 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1ijp h ALA 77 CO 0.00 -0.57 0.12 0.08 0.00 0.00 0.00 179.25 178.89 1ijp s VAL 78 N -5.45 5.01 0.00 0.00 1.01 -0.74 -5.09 120.40 115.15 1ijp s VAL 78 Ca -0.15 1.14 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1ijp s VAL 78 Cb 0.04 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1ijp s VAL 78 CO 0.63 0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.81