#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 -0.03 0.03 1.02 -1.26 -4.09 120.64 116.31 1ijp n GLU 2 Ca 0.00 0.02 0.02 0.00 -0.02 0.00 0.00 57.16 57.18 1ijp n GLU 2 Cb 0.00 -0.25 0.34 0.00 -0.02 0.00 0.00 31.44 31.52 1ijp n GLU 2 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1ijp h ASN 3 N 0.00 0.53 -0.01 1.62 -0.73 -1.99 -2.48 115.58 112.52 1ijp h ASN 3 Ca 0.00 -0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.12 1ijp h ASN 3 Cb 0.00 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.45 1ijp h ASN 3 CO 0.00 0.48 0.00 -0.07 -0.37 0.00 0.00 177.43 177.47 1ijp h LEU 4 N 0.59 0.01 -1.03 0.34 3.38 -1.97 -1.33 115.31 115.30 1ijp h LEU 4 Ca 0.15 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1ijp h LEU 4 Cb 0.11 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1ijp h LEU 4 CO -0.02 0.13 0.65 -1.13 0.09 0.00 0.00 178.44 178.16 1ijp h ASN 5 N -0.11 1.09 -0.23 -0.43 -1.24 -1.69 -2.21 115.58 110.77 1ijp h ASN 5 Ca 0.00 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 56.93 1ijp h ASN 5 Cb 0.12 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 1ijp h ASN 5 CO -0.00 0.75 -0.12 0.24 -1.29 0.00 0.00 177.43 177.01 1ijp h MET 6 N 1.27 0.48 -0.43 6.67 2.86 -1.45 -2.65 114.93 121.67 1ijp h MET 6 Ca 0.39 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1ijp h MET 6 Cb -0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1ijp h MET 6 CO -0.12 0.76 -0.02 0.22 1.06 0.00 0.00 176.91 178.81 1ijp h ASP 7 N 0.19 0.68 -0.37 1.22 3.58 -1.23 -0.44 116.42 120.05 1ijp h ASP 7 Ca 0.05 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 1ijp h ASP 7 Cb 0.62 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1ijp h ASP 7 CO 0.04 0.76 -0.09 0.17 -2.88 0.00 0.00 179.24 177.23 1ijp h LEU 8 N 0.67 0.73 -0.27 2.28 8.10 -1.49 -2.58 115.31 122.74 1ijp h LEU 8 Ca 0.13 -0.37 -0.01 0.00 0.11 0.00 0.00 57.88 57.75 1ijp h LEU 8 Cb 0.44 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 1ijp h LEU 8 CO 0.02 0.93 0.13 0.25 -4.11 0.00 0.00 178.44 175.66 1ijp h LEU 9 N 0.52 0.35 -0.87 0.17 5.85 -1.42 -2.66 115.31 117.25 1ijp h LEU 9 Ca 0.09 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1ijp h LEU 9 Cb 0.61 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.43 1ijp h LEU 9 CO 0.04 0.37 -0.52 0.22 -0.34 0.00 0.00 178.44 178.22 1ijp h TYR 10 N 0.31 -1.59 -0.04 1.25 5.03 -1.17 -2.24 116.97 118.52 1ijp h TYR 10 Ca 0.09 0.11 -0.18 0.00 2.58 0.00 0.00 58.73 61.34 1ijp h TYR 10 Cb 0.11 0.81 0.01 0.00 1.55 0.00 0.00 36.73 39.22 1ijp h TYR 10 CO -0.02 -0.40 -0.67 1.98 -1.32 0.00 0.00 178.16 177.73 1ijp h MET 11 N -0.08 0.53 -1.03 1.82 4.05 -1.41 -2.22 114.93 116.59 1ijp h MET 11 Ca 0.20 -0.51 0.26 0.00 -0.28 0.00 0.00 59.70 59.37 1ijp h MET 11 Cb 0.50 0.13 -0.10 0.00 -0.80 0.00 0.00 31.60 31.33 1ijp h MET 11 CO -0.88 1.14 0.66 0.00 0.23 0.00 0.00 176.91 178.06 1ijp h ALA 12 N 0.40 2.16 0.37 0.39 0.00 -1.55 0.13 119.26 121.16 1ijp h ALA 12 Ca -0.07 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ijp h ALA 12 Cb 1.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ijp h ALA 12 CO 0.13 -0.58 -0.18 0.00 0.00 0.00 0.00 179.25 178.63 1ijp h ALA 13 N 1.63 -0.49 -0.52 0.00 0.00 -1.15 -0.78 119.26 117.96 1ijp h ALA 13 Ca 0.60 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.37 1ijp h ALA 13 Cb 1.46 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 1ijp h ALA 13 CO -0.32 -0.61 0.35 0.00 0.00 0.00 0.00 179.25 178.67 1ijp h ALA 14 N -0.39 1.82 0.09 0.00 0.00 -1.38 0.21 119.26 119.62 1ijp h ALA 14 Ca -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ijp h ALA 14 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ijp h ALA 14 CO 0.08 0.10 -0.05 0.28 0.00 0.00 0.00 179.25 179.67 1ijp h VAL 15 N 0.52 0.91 -0.98 0.00 2.07 -1.03 -2.08 116.25 115.66 1ijp h VAL 15 Ca 0.22 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1ijp h VAL 15 Cb 0.21 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 1ijp h VAL 15 CO -0.06 0.00 0.63 -0.03 0.02 0.00 0.00 177.57 178.13 1ijp h MET 16 N -0.13 1.01 -0.34 1.57 -1.53 -0.87 -2.09 114.93 112.55 1ijp h MET 16 Ca -0.01 -0.06 0.02 0.00 -3.44 0.00 0.00 59.70 56.21 1ijp h MET 16 Cb 0.10 -0.23 -0.02 0.00 -0.55 0.00 0.00 31.60 30.90 1ijp h MET 16 CO 0.02 0.67 0.23 0.00 0.14 0.00 0.00 176.91 177.96 1ijp h MET 17 N 1.04 0.38 0.01 0.39 -0.00 -0.47 -3.18 114.93 113.10 1ijp h MET 17 Ca 0.46 -0.02 -0.22 0.00 -0.00 0.00 0.00 59.70 59.92 1ijp h MET 17 Cb 0.37 -0.09 -0.03 0.00 -0.00 0.00 0.00 31.60 31.86 1ijp h MET 17 CO -0.22 0.25 -1.05 0.78 -0.00 0.00 0.00 176.91 176.67 1ijp h GLY 18 N 0.39 0.01 -0.89 -3.00 0.00 -1.08 -3.40 103.07 95.11 1ijp h GLY 18 Ca 0.13 -0.04 0.19 0.00 0.00 0.00 0.00 47.33 47.62 1ijp h GLY 18 CO -0.03 0.03 -0.18 -0.10 0.00 0.00 0.00 176.54 176.26 1ijp n LEU 19 N -3.34 -0.28 0.28 3.11 7.94 -0.81 -2.05 117.00 121.85 1ijp n LEU 19 Ca -0.01 1.53 0.18 0.00 -1.11 0.00 0.00 56.01 56.59 1ijp n LEU 19 Cb 0.95 -0.48 0.87 0.00 0.53 0.00 0.00 43.42 45.29 1ijp n LEU 19 CO 0.47 -1.48 1.15 1.55 -1.11 0.00 0.00 177.39 177.97 1ijp h PRO 20 N 0.00 0.00 -0.43 1.96 0.13 -1.76 -0.95 132.00 130.95 1ijp h PRO 20 Ca 0.45 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.64 1ijp h PRO 20 Cb 0.74 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1ijp h PRO 20 CO -0.90 0.00 0.29 0.00 -0.23 0.00 0.00 178.00 177.16 1ijp h ALA 21 N 1.52 1.98 0.00 -0.56 0.00 -1.70 -2.19 119.26 118.30 1ijp h ALA 21 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ijp h ALA 21 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ijp h ALA 21 CO -0.00 -0.06 -0.42 0.82 0.00 0.00 0.00 179.25 179.59 1ijp h ILE 22 N 0.33 0.52 0.17 0.00 2.04 -1.62 -3.39 117.51 115.57 1ijp h ILE 22 Ca 0.19 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1ijp h ILE 22 Cb 0.32 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1ijp h ILE 22 CO -0.04 0.18 -0.20 1.23 0.00 0.00 0.00 178.15 179.31 1ijp h GLY 23 N -1.00 -0.98 2.00 5.37 0.00 -1.12 -2.46 103.07 104.88 1ijp h GLY 23 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1ijp h GLY 23 CO -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 176.54 176.17 1ijp n ALA 24 N -2.51 2.07 0.06 3.60 0.00 -0.83 -1.56 120.51 121.33 1ijp n ALA 24 Ca -0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1ijp n ALA 24 Cb 0.18 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.14 -0.53 0.00 0.00 -1.52 -1.45 119.26 118.17 1ijp h ALA 25 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.83 1ijp h ALA 25 Cb 0.54 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ijp h ALA 25 CO 0.00 -0.42 0.36 0.82 0.00 0.00 0.00 179.25 180.01 1ijp h ILE 26 N -0.46 0.91 0.04 0.00 5.03 -1.51 -2.58 117.51 118.94 1ijp h ILE 26 Ca -0.01 -0.12 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 1ijp h ILE 26 Cb 0.38 0.52 -0.01 0.00 -3.03 0.00 0.00 36.82 34.68 1ijp h ILE 26 CO 0.02 0.06 -0.11 1.23 -0.68 0.00 0.00 178.15 178.67 1ijp h GLY 27 N 0.36 -1.17 0.00 5.37 0.00 -1.08 -1.42 103.07 105.12 1ijp h GLY 27 Ca 0.24 0.53 0.00 0.00 0.00 0.00 0.00 47.33 48.10 1ijp h GLY 27 CO -0.06 -0.41 0.00 1.39 0.00 0.00 0.00 176.54 177.46 1ijp n ILE 28 N -3.08 0.00 0.13 2.60 2.08 -0.56 -1.79 119.36 118.73 1ijp n ILE 28 Ca -0.02 1.49 -0.13 0.00 0.56 0.00 0.00 62.75 64.65 1ijp n ILE 28 Cb 0.09 -2.35 -0.06 0.00 -0.75 0.00 0.00 39.64 36.57 1ijp n ILE 28 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1ijp h GLY 29 N 0.00 -0.48 0.00 7.39 0.00 -1.60 0.71 103.07 109.09 1ijp h GLY 29 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1ijp h GLY 29 CO 0.00 -0.22 -0.11 -2.22 0.00 0.00 0.00 176.54 173.99 1ijp h ILE 30 N -0.47 0.02 0.00 2.60 5.03 -1.58 -2.04 117.51 121.07 1ijp h ILE 30 Ca 0.02 -1.01 0.00 0.00 -0.12 0.00 0.00 64.86 63.74 1ijp h ILE 30 Cb 0.47 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.30 1ijp h ILE 30 CO -0.11 0.01 0.00 0.18 -0.68 0.00 0.00 178.15 177.55 1ijp n LEU 31 N -4.74 0.00 -0.04 1.44 4.77 -0.60 -2.49 117.00 115.34 1ijp n LEU 31 Ca -0.02 0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1ijp n LEU 31 Cb 0.06 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1ijp n LEU 31 CO 0.03 -0.02 -0.75 0.61 -1.33 0.00 0.00 177.39 175.93 1ijp n GLY 32 N 0.69 -0.23 0.46 -0.72 0.00 0.22 -3.09 105.19 102.52 1ijp n GLY 32 Ca 0.17 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 1.01 -1.20 0.46 -0.02 0.00 -1.10 -0.88 103.07 101.34 1ijp h GLY 33 Ca -0.19 0.45 0.08 0.00 0.00 0.00 0.00 47.33 47.67 1ijp h GLY 33 CO -0.01 -0.44 0.21 0.50 0.00 0.00 0.00 176.54 176.80 1ijp h LYS 34 N -1.18 0.38 -0.01 4.80 1.57 -1.63 -2.84 116.57 117.66 1ijp h LYS 34 Ca -0.12 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1ijp h LYS 34 Cb 0.89 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1ijp h LYS 34 CO 0.19 0.25 -0.04 0.74 -0.57 0.00 0.00 179.45 180.03 1ijp h PHE 35 N 0.39 0.06 -0.35 -1.35 -1.00 -1.69 -2.68 116.94 110.32 1ijp h PHE 35 Ca 0.27 -0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.94 1ijp h PHE 35 Cb 0.31 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 1ijp h PHE 35 CO -0.16 0.65 -0.14 1.25 -1.61 0.00 0.00 178.31 178.29 1ijp h LEU 36 N -0.55 0.61 -1.17 1.54 7.12 -1.30 -1.77 115.31 119.80 1ijp h LEU 36 Ca -0.00 -0.18 0.15 0.00 0.13 0.00 0.00 57.88 57.98 1ijp h LEU 36 Cb 0.65 -0.17 -0.08 0.00 -0.53 0.00 0.00 40.66 40.54 1ijp h LEU 36 CO 0.01 0.78 0.60 -0.08 -0.13 0.00 0.00 178.44 179.62 1ijp h GLU 37 N 0.57 0.75 -0.27 1.25 4.22 -1.52 0.32 114.58 119.90 1ijp h GLU 37 Ca 0.10 -0.05 -0.12 0.00 0.08 0.00 0.00 59.36 59.37 1ijp h GLU 37 Cb 0.58 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1ijp h GLU 37 CO 0.04 0.50 -0.34 0.78 -2.18 0.00 0.00 179.01 177.81 1ijp h GLY 38 N 0.78 0.65 -0.86 1.92 0.00 -1.30 -3.35 103.07 100.90 1ijp h GLY 38 Ca 0.49 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1ijp h GLY 38 CO -0.25 0.54 0.00 0.00 0.00 0.00 0.00 176.54 176.83 1ijp n ALA 39 N -2.50 2.51 0.31 3.60 0.00 -0.68 -4.07 120.51 119.67 1ijp n ALA 39 Ca -0.01 -0.53 0.20 0.00 0.00 0.00 0.00 53.44 53.10 1ijp n ALA 39 Cb 0.48 -1.08 0.93 0.00 0.00 0.00 0.00 19.45 19.78 1ijp n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ijp h ALA 40 N 4.00 1.00 -0.45 0.00 0.00 -1.10 -3.32 119.26 119.39 1ijp h ALA 40 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1ijp h ALA 40 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1ijp h ALA 40 CO 0.00 0.00 0.18 -0.09 0.00 0.00 0.00 179.25 179.34 1ijp h ARG 41 N 0.00 0.36 -4.29 0.00 2.43 -1.85 -3.39 114.38 107.64 1ijp h ARG 41 Ca 0.00 -0.02 -0.59 0.00 -0.81 0.00 0.00 59.98 58.56 1ijp h ARG 41 Cb 0.26 -0.08 -0.38 0.00 -0.42 0.00 0.00 29.97 29.35 1ijp h ARG 41 CO 0.00 0.24 -0.79 -0.65 -1.51 0.00 0.00 179.97 177.25 1ijp s GLN 42 N -6.14 1.59 0.00 0.20 1.11 -1.25 -5.06 119.66 110.11 1ijp s GLN 42 Ca -0.13 -0.77 0.18 0.00 0.01 0.00 0.00 55.36 54.66 1ijp s GLN 42 Cb 0.13 -2.33 0.78 0.00 -1.01 0.00 0.00 33.01 30.58 1ijp s GLN 42 CO 0.72 -0.51 1.59 -0.35 0.01 0.00 0.00 175.29 176.75 1ijp n PRO 43 N 4.77 0.00 -2.97 2.91 -0.04 -1.26 -3.32 135.00 135.08 1ijp n PRO 43 Ca -0.12 0.19 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 1ijp n PRO 43 Cb 0.46 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.51 4.54 -4.91 3.54 8.00 -1.26 -5.00 116.55 119.95 1ijp n ASP 44 Ca 0.04 -3.67 -0.23 0.00 0.71 0.00 0.00 54.79 51.64 1ijp n ASP 44 Cb 0.21 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.69 1ijp n ASP 44 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ijp s LEU 45 N -3.42 4.15 0.00 0.64 2.96 -1.21 -5.01 118.68 116.79 1ijp s LEU 45 Ca 0.48 0.00 -0.24 0.00 -0.22 0.00 0.00 54.13 54.15 1ijp s LEU 45 Cb 0.26 -2.70 -0.15 0.00 0.50 0.00 0.00 46.19 44.11 1ijp s LEU 45 CO -0.13 -0.01 1.08 0.40 -1.32 0.00 0.00 176.35 176.37 1ijp h ILE 46 N 1.48 0.33 -0.71 6.68 5.03 -1.99 -2.45 117.51 125.89 1ijp h ILE 46 Ca -0.50 -0.50 0.20 0.00 -0.12 0.00 0.00 64.86 63.94 1ijp h ILE 46 Cb 1.22 0.48 -0.03 0.00 -3.03 0.00 0.00 36.82 35.46 1ijp h ILE 46 CO 0.63 0.06 0.91 -0.65 -0.68 0.00 0.00 178.15 178.42 1ijp h PRO 47 N -1.01 0.00 0.02 2.37 0.11 -1.98 -1.49 132.00 130.01 1ijp h PRO 47 Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1ijp h PRO 47 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1ijp h PRO 47 CO 0.11 0.00 -0.01 1.25 -0.21 0.00 0.00 178.00 179.14 1ijp h LEU 48 N 0.00 -0.02 -1.79 2.35 7.12 -1.80 -1.30 115.31 119.87 1ijp h LEU 48 Ca 0.34 -0.22 0.02 0.00 0.13 0.00 0.00 57.88 58.15 1ijp h LEU 48 Cb 2.15 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 42.27 1ijp h LEU 48 CO -0.00 0.21 0.18 -0.07 -0.13 0.00 0.00 178.44 178.63 1ijp h LEU 49 N -0.25 0.24 0.19 2.25 3.38 -0.85 -0.25 115.31 120.02 1ijp h LEU 49 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ijp h LEU 49 Cb 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ijp h LEU 49 CO 0.00 0.17 -0.09 0.03 0.09 0.00 0.00 178.44 178.64 1ijp h ARG 50 N 0.28 -0.25 -0.38 1.13 2.47 -1.31 -2.31 114.38 114.01 1ijp h ARG 50 Ca 0.11 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.88 1ijp h ARG 50 Cb 0.10 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 1ijp h ARG 50 CO -0.02 0.08 0.18 1.79 0.56 0.00 0.00 179.97 182.55 1ijp h THR 51 N -0.59 0.96 -0.50 2.04 1.35 -1.19 -1.64 112.91 113.33 1ijp h THR 51 Ca -0.03 -0.13 0.09 0.00 -0.55 0.00 0.00 66.41 65.80 1ijp h THR 51 Cb 0.44 0.56 -0.07 0.00 -1.73 0.00 0.00 68.15 67.35 1ijp h THR 51 CO 0.04 0.07 0.10 -0.61 -0.25 0.00 0.00 175.52 174.86 1ijp h GLN 52 N 0.37 0.22 -0.58 4.72 -0.00 -1.16 -2.57 115.11 116.11 1ijp h GLN 52 Ca 0.16 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.89 1ijp h GLN 52 Cb 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 27.48 27.45 1ijp h GLN 52 CO -0.13 0.15 0.22 0.35 0.00 0.00 0.00 178.83 179.42 1ijp h PHE 53 N 0.23 0.39 -0.92 3.99 3.57 -1.29 -2.55 116.94 120.36 1ijp h PHE 53 Ca 0.25 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.95 1ijp h PHE 53 Cb 0.34 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 38.92 1ijp h PHE 53 CO -0.23 0.11 0.59 0.74 -2.23 0.00 0.00 178.31 177.29 1ijp h PHE 54 N 0.41 0.79 0.03 0.41 -1.00 -0.92 -1.25 116.94 115.40 1ijp h PHE 54 Ca 0.29 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.09 1ijp h PHE 54 Cb 0.34 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1ijp h PHE 54 CO -0.16 0.25 -0.01 0.82 -1.61 0.00 0.00 178.31 177.59 1ijp h ILE 55 N 0.63 1.18 -0.30 -0.55 2.04 -1.25 -3.33 117.51 115.93 1ijp h ILE 55 Ca 0.48 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1ijp h ILE 55 Cb 0.88 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1ijp h ILE 55 CO -0.23 0.17 0.03 0.58 0.00 0.00 0.00 178.15 178.70 1ijp h VAL 56 N -0.33 1.24 0.00 1.67 2.07 -1.16 -3.07 116.25 116.67 1ijp h VAL 56 Ca -0.00 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1ijp h VAL 56 Cb 0.31 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1ijp h VAL 56 CO 0.01 0.28 -0.09 0.00 0.02 0.00 0.00 177.57 177.78 1ijp h MET 57 N 0.32 0.00 0.76 1.57 -0.00 -1.40 0.56 114.93 116.75 1ijp h MET 57 Ca 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.75 1ijp h MET 57 Cb 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.99 1ijp h MET 57 CO 0.01 0.09 -0.37 0.78 -0.00 0.00 0.00 176.91 177.43 1ijp h GLY 58 N 0.42 -1.07 1.43 -3.00 0.00 -1.66 -2.66 103.07 96.54 1ijp h GLY 58 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1ijp h GLY 58 CO 0.01 -0.39 0.09 -0.10 0.00 0.00 0.00 176.54 176.15 1ijp n LEU 59 N -5.29 0.00 0.04 3.11 -0.00 -1.00 -0.66 117.00 113.20 1ijp n LEU 59 Ca -0.13 0.32 0.05 0.00 -0.00 0.00 0.00 56.01 56.26 1ijp n LEU 59 Cb 0.40 -0.32 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 1ijp n LEU 59 CO 0.31 -0.32 -0.34 0.55 -0.00 0.00 0.00 177.39 177.58 1ijp n VAL 60 N -1.30 0.80 -0.16 1.96 3.14 0.16 -2.44 118.33 120.49 1ijp n VAL 60 Ca 0.00 -0.62 -0.03 0.00 -2.96 0.00 0.00 64.34 60.73 1ijp n VAL 60 Cb 0.09 -0.45 0.03 0.00 -1.06 0.00 0.00 33.84 32.45 1ijp n VAL 60 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1ijp h ASP 61 N 0.00 -0.47 0.00 6.55 1.82 -0.51 -2.57 116.42 121.23 1ijp h ASP 61 Ca -0.11 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1ijp h ASP 61 Cb 1.34 0.31 0.00 0.00 0.68 0.00 0.00 39.33 41.66 1ijp h ASP 61 CO 0.02 -0.17 0.00 0.00 -1.61 0.00 0.00 179.24 177.48 1ijp n ALA 62 N -2.86 -0.18 0.19 -0.78 0.00 -1.05 -2.55 120.51 113.29 1ijp n ALA 62 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 1ijp n ALA 62 Cb 0.27 0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 0.32 0.28 0.00 1.08 -1.54 -2.07 117.51 115.59 1ijp h ILE 63 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1ijp h ILE 63 Cb 0.00 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1ijp h ILE 63 CO 0.00 0.00 -0.13 0.00 -0.69 0.00 0.00 178.15 177.33 1ijp h ALA 64 N -0.12 -0.38 -0.63 1.87 0.00 -1.61 -2.81 119.26 115.58 1ijp h ALA 64 Ca -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1ijp h ALA 64 Cb 0.61 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1ijp h ALA 64 CO -0.08 -0.61 0.04 0.52 0.00 0.00 0.00 179.25 179.11 1ijp h MET 65 N -0.57 1.08 0.89 0.00 2.86 -1.58 -2.64 114.93 114.97 1ijp h MET 65 Ca -0.04 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.24 1ijp h MET 65 Cb 0.42 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.98 1ijp h MET 65 CO 0.06 1.03 -0.43 0.97 1.06 0.00 0.00 176.91 179.61 1ijp h ILE 66 N 1.00 0.02 -0.42 -1.22 2.10 -1.46 -2.53 117.51 115.00 1ijp h ILE 66 Ca 0.18 -0.11 -0.10 0.00 1.08 0.00 0.00 64.86 65.91 1ijp h ILE 66 Cb 0.52 0.02 -0.02 0.00 -1.09 0.00 0.00 36.82 36.25 1ijp h ILE 66 CO 0.02 0.00 -0.14 0.00 -1.08 0.00 0.00 178.15 176.96 1ijp h ALA 67 N -1.29 0.98 0.03 0.18 0.00 -1.60 -0.73 119.26 116.82 1ijp h ALA 67 Ca -0.12 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ijp h ALA 67 Cb 0.92 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ijp h ALA 67 CO 0.20 0.60 -0.01 0.28 0.00 0.00 0.00 179.25 180.32 1ijp h VAL 68 N 0.69 1.23 -0.19 0.00 2.07 -1.61 -2.29 116.25 116.14 1ijp h VAL 68 Ca 0.11 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 1ijp h VAL 68 Cb 0.62 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1ijp h VAL 68 CO 0.04 0.21 -0.14 1.23 0.02 0.00 0.00 177.57 178.92 1ijp h GLY 69 N -0.39 0.48 1.00 2.17 0.00 -1.46 -1.89 103.07 102.98 1ijp h GLY 69 Ca -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 1ijp h GLY 69 CO 0.01 0.42 0.21 -2.00 0.00 0.00 0.00 176.54 175.17 1ijp h LEU 70 N 0.11 0.86 -0.76 3.11 6.46 -1.30 -2.57 115.31 121.22 1ijp h LEU 70 Ca 0.04 -0.20 0.14 0.00 -0.12 0.00 0.00 57.88 57.74 1ijp h LEU 70 Cb 0.66 -0.22 -0.14 0.00 -0.73 0.00 0.00 40.66 40.23 1ijp h LEU 70 CO 0.04 0.82 -0.29 1.23 -0.62 0.00 0.00 178.44 179.62 1ijp h GLY 71 N 0.85 0.21 0.75 3.75 0.00 -1.46 -2.32 103.07 104.86 1ijp h GLY 71 Ca 0.20 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.89 1ijp h GLY 71 CO -0.01 -0.25 -0.17 -2.00 0.00 0.00 0.00 176.54 174.11 1ijp h LEU 72 N -0.06 -0.40 -0.74 3.11 5.85 -1.20 -1.40 115.31 120.46 1ijp h LEU 72 Ca 0.32 -0.12 0.16 0.00 0.84 0.00 0.00 57.88 59.07 1ijp h LEU 72 Cb 0.58 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 41.57 1ijp h LEU 72 CO -0.80 -0.09 -0.15 0.00 -0.34 0.00 0.00 178.44 177.05 1ijp n TYR 73 N -5.19 0.30 0.07 1.25 9.36 -0.98 -1.66 117.16 120.30 1ijp n TYR 73 Ca -0.10 0.90 -0.23 0.00 3.32 0.00 0.00 57.90 61.79 1ijp n TYR 73 Cb 0.26 -0.95 -0.15 0.00 -0.63 0.00 0.00 39.34 37.88 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 1.13 -0.87 2.97 3.04 -1.38 -2.96 116.25 118.18 1ijp h VAL 74 Ca 0.37 -2.52 0.01 0.00 -1.01 0.00 0.00 66.70 63.54 1ijp h VAL 74 Cb 0.60 2.88 -0.04 0.00 -2.01 0.00 0.00 31.29 32.71 1ijp h VAL 74 CO -0.75 0.78 0.57 0.24 -1.01 0.00 0.00 177.57 177.40 1ijp h MET 75 N -0.08 1.15 0.09 4.17 2.86 -1.19 -2.90 114.93 119.03 1ijp h MET 75 Ca -0.28 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1ijp h MET 75 Cb 1.95 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 33.35 1ijp h MET 75 CO 0.16 0.77 -0.04 0.74 1.06 0.00 0.00 176.91 179.60 1ijp h PHE 76 N 1.18 -0.11 -3.96 -0.22 0.04 -1.48 -3.50 116.94 108.89 1ijp h PHE 76 Ca 0.32 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1ijp h PHE 76 Cb -0.12 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1ijp h PHE 76 CO 0.00 -0.01 -0.36 0.00 -0.60 0.00 0.00 178.31 177.35 1ijp n ALA 77 N -2.18 -3.14 0.00 2.45 0.00 -1.10 -4.47 120.51 112.08 1ijp n ALA 77 Ca -0.08 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ijp n ALA 77 Cb 0.10 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.04 0.00 -0.62 0.00 0.31 -1.26 -5.11 118.33 111.68 1ijp n VAL 78 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1ijp n VAL 78 Cb 0.08 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 1ijp n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51