#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zke h PHE 2 N 0.00 0.00 -0.26 1.12 -1.00 -2.01 0.12 116.94 114.91 1zke h PHE 2 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1zke h PHE 2 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1zke h PHE 2 CO 0.00 0.35 0.14 1.49 -1.61 0.00 0.00 178.31 178.68 1zke h GLU 3 N 0.00 0.36 -0.39 1.51 4.81 -2.05 -1.09 114.58 117.72 1zke h GLU 3 Ca -0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1zke h GLU 3 Cb 0.67 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1zke h GLU 3 CO 0.05 0.33 0.17 0.87 -0.73 0.00 0.00 179.01 179.70 1zke h LYS 4 N 0.30 0.58 -0.09 1.92 1.57 -1.80 -2.34 116.57 116.71 1zke h LYS 4 Ca 0.09 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1zke h LYS 4 Cb 0.08 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1zke h LYS 4 CO -0.01 0.53 0.06 0.82 -0.57 0.00 0.00 179.45 180.27 1zke h ILE 5 N 0.49 1.03 -0.77 1.86 2.04 -0.97 -2.20 117.51 118.99 1zke h ILE 5 Ca 0.13 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1zke h ILE 5 Cb 0.16 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1zke h ILE 5 CO -0.01 0.03 0.51 0.03 0.00 0.00 0.00 178.15 178.71 1zke h ARG 6 N 0.11 1.01 -0.41 2.37 3.08 -1.08 0.83 114.38 120.28 1zke h ARG 6 Ca 0.03 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1zke h ARG 6 Cb 0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1zke h ARG 6 CO -0.01 0.67 0.06 -0.22 -1.07 0.00 0.00 179.97 179.40 1zke h LYS 7 N 1.04 0.68 -0.57 0.04 1.63 -1.33 -2.01 116.57 116.05 1zke h LYS 7 Ca 0.29 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.84 1zke h LYS 7 Cb -0.11 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 1zke h LYS 7 CO -0.06 0.73 0.10 0.82 -3.45 0.00 0.00 179.45 177.59 1zke h ILE 8 N 0.53 1.25 -0.96 2.00 2.04 -0.70 -1.80 117.51 119.88 1zke h ILE 8 Ca 0.12 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1zke h ILE 8 Cb 0.38 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1zke h ILE 8 CO 0.01 0.35 0.63 -0.07 0.00 0.00 0.00 178.15 179.07 1zke h LEU 9 N 0.84 1.09 -0.69 1.44 3.38 -0.78 0.80 115.31 121.40 1zke h LEU 9 Ca 0.18 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1zke h LEU 9 Cb 0.40 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1zke h LEU 9 CO 0.01 0.79 0.34 0.00 0.09 0.00 0.00 178.44 179.66 1zke h ALA 10 N 1.35 0.89 -0.33 1.53 0.00 -1.09 -1.43 119.26 120.18 1zke h ALA 10 Ca 0.35 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1zke h ALA 10 Cb -0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 1zke h ALA 10 CO -0.08 0.45 -0.16 -0.44 0.00 0.00 0.00 179.25 179.01 1zke h ASP 11 N 0.96 0.58 -0.30 0.00 3.32 -0.54 -1.87 116.42 118.57 1zke h ASP 11 Ca 0.24 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1zke h ASP 11 Cb 0.11 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1zke h ASP 11 CO -0.03 0.76 0.01 0.40 -1.72 0.00 0.00 179.24 178.67 1zke h ILE 12 N 0.53 1.25 -0.41 0.35 2.04 -0.60 -0.26 117.51 120.42 1zke h ILE 12 Ca 0.09 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.10 1zke h ILE 12 Cb 0.59 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1zke h ILE 12 CO 0.04 0.29 0.13 -0.08 0.00 0.00 0.00 178.15 178.53 1zke h GLU 13 N 0.31 0.27 -0.47 2.37 4.81 -1.11 0.31 114.58 121.07 1zke h GLU 13 Ca 0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1zke h GLU 13 Cb 0.41 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1zke h GLU 13 CO 0.01 0.18 0.27 -0.44 -0.73 0.00 0.00 179.01 178.30 1zke h ASP 14 N 0.28 0.57 -0.43 1.04 3.32 -1.24 -1.53 116.42 118.43 1zke h ASP 14 Ca 0.19 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1zke h ASP 14 Cb 0.20 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1zke h ASP 14 CO -0.21 0.48 0.22 -1.28 -1.72 0.00 0.00 179.24 176.73 1zke h SER 15 N 0.62 0.56 -0.59 6.45 0.87 -0.50 -1.27 113.55 119.69 1zke h SER 15 Ca 0.17 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1zke h SER 15 Cb 0.03 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.79 1zke h SER 15 CO -0.03 0.51 0.31 1.56 -0.53 0.00 0.00 176.83 178.65 1zke h GLN 16 N 0.56 0.56 -0.70 2.24 4.20 -0.81 -1.01 115.11 120.15 1zke h GLN 16 Ca 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1zke h GLN 16 Cb 0.09 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1zke h GLN 16 CO -0.02 0.37 0.40 -0.91 -0.67 0.00 0.00 178.83 178.00 1zke h ASN 17 N 0.58 0.86 -0.21 1.46 2.35 -0.83 -0.10 115.58 119.70 1zke h ASN 17 Ca 0.26 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1zke h ASN 17 Cb 0.17 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1zke h ASN 17 CO -0.18 0.69 0.10 -0.33 -1.65 0.00 0.00 177.43 176.07 1zke h GLU 18 N 0.96 0.31 -0.50 0.81 4.39 -0.90 -1.54 114.58 118.11 1zke h GLU 18 Ca 0.25 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1zke h GLU 18 Cb 0.01 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1zke h GLU 18 CO -0.04 0.33 0.23 0.82 -1.16 0.00 0.00 179.01 179.19 1zke h ILE 19 N 0.21 1.20 -0.90 3.13 2.04 -0.93 -0.45 117.51 121.80 1zke h ILE 19 Ca 0.07 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1zke h ILE 19 Cb 0.12 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1zke h ILE 19 CO -0.01 0.22 0.54 -0.33 0.00 0.00 0.00 178.15 178.57 1zke h GLU 20 N 0.66 1.23 -0.27 2.37 5.08 -0.89 0.84 114.58 123.60 1zke h GLU 20 Ca 0.17 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1zke h GLU 20 Cb 0.13 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1zke h GLU 20 CO -0.02 0.86 0.05 1.98 -1.00 0.00 0.00 179.01 180.88 1zke h MET 21 N 1.25 0.45 -0.72 2.33 4.05 -0.89 -0.44 114.93 120.96 1zke h MET 21 Ca 0.32 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1zke h MET 21 Cb -0.04 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 1zke h MET 21 CO -0.06 0.56 0.32 -0.07 0.23 0.00 0.00 176.91 177.89 1zke h LEU 22 N 0.27 0.96 -0.65 3.39 3.38 -0.72 -0.11 115.31 121.82 1zke h LEU 22 Ca 0.08 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1zke h LEU 22 Cb 0.33 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1zke h LEU 22 CO 0.01 0.85 0.13 -0.07 0.09 0.00 0.00 178.44 179.44 1zke h LEU 23 N 1.01 1.01 -0.06 1.67 3.38 -0.73 0.07 115.31 121.65 1zke h LEU 23 Ca 0.24 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1zke h LEU 23 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1zke h LEU 23 CO -0.03 1.00 -0.01 0.50 0.09 0.00 0.00 178.44 180.00 1zke h LYS 24 N 0.98 0.01 -0.73 1.13 3.64 -0.72 0.34 116.57 121.22 1zke h LYS 24 Ca 0.20 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1zke h LYS 24 Cb 0.40 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1zke h LYS 24 CO 0.01 0.01 0.46 -0.07 -2.27 0.00 0.00 179.45 177.59 1zke h LEU 25 N 0.01 0.86 -0.44 5.20 3.38 -0.88 -2.50 115.31 120.95 1zke h LEU 25 Ca 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1zke h LEU 25 Cb 0.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1zke h LEU 25 CO -0.06 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1zke h ALA 26 N 1.25 1.00 -5.63 1.53 0.00 -0.76 -3.48 119.26 113.17 1zke h ALA 26 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.86 1zke h ALA 26 Cb -0.07 0.00 0.17 0.00 0.00 0.00 0.00 17.79 17.89 1zke h ALA 26 CO -0.05 0.00 -0.80 -1.71 0.00 0.00 0.00 179.25 176.68 1zke n ASN 27 N -2.36 -3.34 -3.87 0.00 5.15 0.04 -4.44 115.26 106.44 1zke n ASN 27 Ca 0.03 -0.66 -0.12 0.00 -0.60 0.00 0.00 54.58 53.23 1zke n ASN 27 Cb 0.33 -5.06 -0.13 0.00 -0.53 0.00 0.00 39.78 34.39 1zke n ASN 27 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1zke s LEU 28 N -6.11 1.86 0.50 1.20 2.96 -0.79 -4.92 118.68 113.38 1zke s LEU 28 Ca 0.14 -0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 53.93 1zke s LEU 28 Cb -0.02 0.19 -0.06 0.00 0.50 0.00 0.00 46.19 46.80 1zke s LEU 28 CO 0.74 -0.08 0.90 -0.94 -1.32 0.00 0.00 176.35 175.66 1zke s SER 29 N -0.26 6.45 0.21 3.68 1.04 -1.26 -4.52 113.70 119.03 1zke s SER 29 Ca -0.03 1.31 -0.10 0.00 0.48 0.00 0.00 55.95 57.61 1zke s SER 29 Cb -0.02 -2.41 0.23 0.00 0.10 0.00 0.00 66.02 63.92 1zke s SER 29 CO 0.00 -0.60 1.81 0.25 0.98 0.00 0.00 173.24 175.68 1zke h LEU 30 N 0.62 0.56 -0.27 2.42 5.85 -1.98 -0.38 115.31 122.14 1zke h LEU 30 Ca -0.46 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.33 1zke h LEU 30 Cb 1.19 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1zke h LEU 30 CO 0.62 0.37 0.02 1.23 -0.34 0.00 0.00 178.44 180.34 1zke h GLY 31 N 0.70 0.28 1.04 3.75 0.00 -2.00 -1.49 103.07 105.35 1zke h GLY 31 Ca 0.29 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 1zke h GLY 31 CO -0.17 -0.04 0.33 -0.55 0.00 0.00 0.00 176.54 176.12 1zke h ASP 32 N 0.11 1.06 -0.14 0.19 5.19 -1.86 -1.24 116.42 119.74 1zke h ASP 32 Ca 0.13 -0.16 0.03 0.00 -0.62 0.00 0.00 57.03 56.41 1zke h ASP 32 Cb 0.15 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 39.35 1zke h ASP 32 CO -0.19 0.93 -0.08 0.15 -3.12 0.00 0.00 179.24 176.92 1zke h PHE 33 N 1.12 -0.19 -0.64 4.55 3.57 -0.62 -0.35 116.94 124.38 1zke h PHE 33 Ca 0.26 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1zke h PHE 33 Cb 0.18 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1zke h PHE 33 CO 0.02 -0.13 0.41 0.82 -2.23 0.00 0.00 178.31 177.20 1zke h ILE 34 N -0.08 1.14 -0.19 1.41 1.08 -1.05 -0.14 117.51 119.67 1zke h ILE 34 Ca 0.08 -0.29 -0.05 0.00 -0.39 0.00 0.00 64.86 64.21 1zke h ILE 34 Cb 0.20 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 1zke h ILE 34 CO -0.19 0.15 -0.11 -0.33 -0.69 0.00 0.00 178.15 176.99 1zke h GLU 35 N 0.84 0.31 -0.03 2.37 4.39 -0.84 -1.22 114.58 120.39 1zke h GLU 35 Ca 0.24 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.76 1zke h GLU 35 Cb -0.07 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1zke h GLU 35 CO -0.06 0.43 -0.40 0.82 -1.16 0.00 0.00 179.01 178.64 1zke h ILE 36 N 0.29 1.45 -0.59 3.13 2.04 -0.68 -0.38 117.51 122.78 1zke h ILE 36 Ca 0.06 -1.90 0.02 0.00 1.00 0.00 0.00 64.86 64.05 1zke h ILE 36 Cb 0.38 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 1zke h ILE 36 CO 0.02 0.54 0.39 0.11 0.00 0.00 0.00 178.15 179.21 1zke h LYS 37 N -0.21 0.70 -0.00 2.37 1.79 -0.81 -2.10 116.57 118.30 1zke h LYS 37 Ca -0.04 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1zke h LYS 37 Cb 1.09 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1zke h LYS 37 CO 0.08 0.46 -0.09 2.89 -1.08 0.00 0.00 179.45 181.72 1zke n ARG 38 N -4.46 0.54 -0.41 3.15 1.85 -0.48 -4.92 116.66 111.94 1zke n ARG 38 Ca 0.07 -0.14 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1zke n ARG 38 Cb 0.11 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 1zke n ARG 38 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1zke n GLY 39 N 1.30 0.73 0.08 2.89 0.00 -0.79 -4.96 105.19 104.45 1zke n GLY 39 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 1zke n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1zke h SER 40 N 0.00 0.00 -3.72 1.61 0.02 -1.33 -3.46 113.55 106.67 1zke h SER 40 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 1zke h SER 40 Cb 0.00 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.24 1zke h SER 40 CO 0.00 0.86 -0.85 -0.32 -1.14 0.00 0.00 176.83 175.38 1zke s MET 41 N -2.74 2.83 0.50 3.45 0.00 -0.57 -4.99 119.30 117.79 1zke s MET 41 Ca -0.02 -0.83 -0.23 0.00 0.00 0.00 0.00 55.69 54.62 1zke s MET 41 Cb 0.09 -2.32 -0.06 0.00 0.00 0.00 0.00 34.83 32.54 1zke s MET 41 CO 0.81 0.33 1.29 -0.51 0.00 0.00 0.00 175.02 176.94 1zke s ASP 42 N -0.01 5.69 0.02 1.11 1.11 -1.26 -4.31 116.67 119.02 1zke s ASP 42 Ca -0.07 2.60 -0.33 0.00 0.18 0.00 0.00 52.55 54.93 1zke s ASP 42 Cb -0.15 -2.62 -0.11 0.00 1.07 0.00 0.00 42.92 41.10 1zke s ASP 42 CO 0.05 -1.27 1.85 0.23 1.18 0.00 0.00 175.17 177.21 1zke n MET 43 N -0.72 2.45 -2.08 8.23 2.81 -1.26 -4.94 117.12 121.60 1zke n MET 43 Ca 0.09 0.89 -0.36 0.00 -1.81 0.00 0.00 57.70 56.51 1zke n MET 43 Cb 0.46 -2.76 0.02 0.00 -0.71 0.00 0.00 33.22 30.23 1zke n MET 43 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1zke s PRO 44 N 3.41 3.22 0.42 0.03 0.02 -1.26 -4.98 135.00 135.85 1zke s PRO 44 Ca 0.88 1.82 -0.24 0.00 0.02 0.00 0.00 61.00 63.48 1zke s PRO 44 Cb -0.59 -2.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.77 1zke s PRO 44 CO 0.45 -1.01 1.13 0.21 -0.33 0.00 0.00 177.00 177.45 1zke s LYS 45 N -3.15 3.99 0.00 5.54 2.47 -1.26 -2.91 119.74 124.42 1zke s LYS 45 Ca 0.73 1.72 0.00 0.00 -1.56 0.00 0.00 55.97 56.86 1zke s LYS 45 Cb -0.30 -2.55 0.00 0.00 -1.46 0.00 0.00 37.83 33.52 1zke s LYS 45 CO 0.34 -0.34 0.00 0.41 0.16 0.00 0.00 175.35 175.92 1zke n GLY 46 N 0.49 3.01 3.70 5.54 0.00 -1.26 -5.05 105.19 111.62 1zke n GLY 46 Ca 0.05 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1zke n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zke s VAL 47 N -0.93 4.59 -0.50 1.61 1.01 -1.15 -4.98 120.40 120.05 1zke s VAL 47 Ca 0.00 1.86 -0.26 0.00 0.00 0.00 0.00 61.98 63.58 1zke s VAL 47 Cb 0.00 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1zke s VAL 47 CO 0.00 0.08 1.01 0.21 0.00 0.00 0.00 175.10 176.40 1zke s ASN 48 N 1.12 6.49 0.42 3.32 2.47 -1.26 -4.90 114.94 122.60 1zke s ASN 48 Ca 0.53 0.10 0.29 0.00 0.42 0.00 0.00 52.86 54.19 1zke s ASN 48 Cb -0.22 -2.48 1.50 0.00 -1.45 0.00 0.00 41.25 38.59 1zke s ASN 48 CO 0.24 -1.19 1.88 1.05 -3.72 0.00 0.00 177.10 175.36 1zke h GLU 49 N 9.22 0.00 0.00 0.43 9.09 -1.96 -2.77 114.58 128.59 1zke h GLU 49 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.17 1zke h GLU 49 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1zke h GLU 49 CO 1.08 0.00 0.00 0.00 0.05 0.00 0.00 179.01 180.14 1zke h ALA 50 N 2.03 1.00 0.00 1.06 0.00 -2.03 -0.94 119.26 120.38 1zke h ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zke h ALA 50 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1zke h ALA 50 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 179.25 179.99 1zke h PHE 51 N 0.00 0.00 -0.21 0.00 0.04 -1.92 -3.36 116.94 111.49 1zke h PHE 51 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1zke h PHE 51 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1zke h PHE 51 CO 0.00 0.00 -0.27 0.74 -0.60 0.00 0.00 178.31 178.18 1zke h PHE 52 N 0.00 0.45 0.22 -0.55 -1.00 -1.40 -1.65 116.94 113.00 1zke h PHE 52 Ca 0.00 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 1zke h PHE 52 Cb 0.49 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.94 1zke h PHE 52 CO 0.00 0.64 -0.10 1.15 -1.61 0.00 0.00 178.31 178.38 1zke h THR 53 N 0.35 0.82 -0.44 -1.55 2.02 -1.78 0.20 112.91 112.53 1zke h THR 53 Ca 0.05 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1zke h THR 53 Cb 0.66 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1zke h THR 53 CO 0.05 0.04 0.10 -0.61 0.37 0.00 0.00 175.52 175.47 1zke h GLN 54 N -0.37 0.70 -0.47 6.66 5.75 -1.79 -1.67 115.11 123.92 1zke h GLN 54 Ca -0.03 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.34 1zke h GLN 54 Cb 0.29 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 1zke h GLN 54 CO 0.05 0.71 0.22 -0.07 -2.65 0.00 0.00 178.83 177.09 1zke h LEU 55 N 0.57 0.31 -0.43 -2.39 3.38 -1.24 -0.04 115.31 115.47 1zke h LEU 55 Ca 0.14 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1zke h LEU 55 Cb 0.32 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1zke h LEU 55 CO 0.00 0.22 0.26 0.28 0.09 0.00 0.00 178.44 179.29 1zke h SER 56 N 0.44 0.43 -0.66 -0.43 0.02 -0.75 0.62 113.55 113.22 1zke h SER 56 Ca 0.21 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1zke h SER 56 Cb 0.13 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1zke h SER 56 CO -0.16 0.31 0.29 -0.33 -1.14 0.00 0.00 176.83 175.80 1zke h GLU 57 N 0.53 0.97 -0.37 3.45 5.08 -0.91 -0.47 114.58 122.86 1zke h GLU 57 Ca 0.17 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1zke h GLU 57 Cb -0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1zke h GLU 57 CO -0.07 0.80 -0.33 1.49 -1.00 0.00 0.00 179.01 179.90 1zke h GLU 58 N 0.93 0.88 -0.83 2.33 4.57 -0.65 -0.79 114.58 121.02 1zke h GLU 58 Ca 0.22 -0.45 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 1zke h GLU 58 Cb 0.16 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1zke h GLU 58 CO -0.02 1.09 0.43 0.28 -1.18 0.00 0.00 179.01 179.61 1zke h VAL 59 N 0.68 1.25 -0.72 0.32 2.07 -0.69 -0.78 116.25 118.39 1zke h VAL 59 Ca 0.06 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1zke h VAL 59 Cb 0.92 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1zke h VAL 59 CO 0.08 0.29 0.32 -0.33 0.02 0.00 0.00 177.57 177.95 1zke h GLU 60 N 1.17 1.04 -0.45 1.57 4.39 -0.88 -1.50 114.58 119.92 1zke h GLU 60 Ca 0.29 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1zke h GLU 60 Cb 0.07 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1zke h GLU 60 CO -0.04 0.82 0.27 -0.09 -1.16 0.00 0.00 179.01 178.81 1zke h ARG 61 N 1.03 0.61 -0.57 2.33 2.43 -0.38 -0.95 114.38 118.88 1zke h ARG 61 Ca 0.25 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1zke h ARG 61 Cb 0.15 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1zke h ARG 61 CO -0.03 0.45 0.37 1.25 -1.51 0.00 0.00 179.97 180.50 1zke h LEU 62 N 0.60 0.63 -0.52 3.80 5.85 -0.77 0.19 115.31 125.08 1zke h LEU 62 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1zke h LEU 62 Cb -0.00 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1zke h LEU 62 CO -0.03 0.45 0.33 0.11 -0.34 0.00 0.00 178.44 178.96 1zke h LYS 63 N 0.75 0.70 -0.61 1.25 1.57 -1.05 -1.50 116.57 117.67 1zke h LYS 63 Ca 0.21 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1zke h LYS 63 Cb -0.06 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 1zke h LYS 63 CO -0.06 0.48 0.15 0.93 -0.57 0.00 0.00 179.45 180.39 1zke h GLU 64 N 0.70 0.95 -0.41 3.15 5.08 -0.68 -0.74 114.58 122.64 1zke h GLU 64 Ca 0.19 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1zke h GLU 64 Cb -0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1zke h GLU 64 CO -0.04 0.84 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.71 1zke h LEU 65 N 0.91 0.73 -0.65 1.33 3.38 -0.68 0.18 115.31 120.51 1zke h LEU 65 Ca 0.20 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1zke h LEU 65 Cb 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1zke h LEU 65 CO -0.00 0.89 0.21 0.40 0.09 0.00 0.00 178.44 180.02 1zke h ILE 66 N 0.57 1.25 -0.84 1.22 2.04 -1.06 -0.48 117.51 120.21 1zke h ILE 66 Ca 0.11 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1zke h ILE 66 Cb 0.53 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1zke h ILE 66 CO 0.03 0.33 0.52 -1.13 0.00 0.00 0.00 178.15 177.89 1zke h ASN 67 N 0.94 1.00 -0.45 1.72 -0.73 -0.94 -1.68 115.58 115.44 1zke h ASN 67 Ca 0.21 -0.06 -0.09 0.00 1.87 0.00 0.00 56.30 58.23 1zke h ASN 67 Cb 0.29 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 1zke h ASN 67 CO -0.01 0.77 -0.04 0.00 -0.37 0.00 0.00 177.43 177.77 1zke h ALA 68 N 1.28 0.96 -0.51 1.57 0.00 -0.47 -1.23 119.26 120.86 1zke h ALA 68 Ca 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1zke h ALA 68 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1zke h ALA 68 CO -0.06 0.62 0.28 1.25 0.00 0.00 0.00 179.25 181.34 1zke h LEU 69 N 0.82 0.65 -1.15 0.00 5.85 -0.88 -2.29 115.31 118.31 1zke h LEU 69 Ca 0.15 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1zke h LEU 69 Cb 0.55 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1zke h LEU 69 CO 0.03 0.56 0.14 -1.13 -0.34 0.00 0.00 178.44 177.69 1zke h ASN 70 N 0.68 0.68 -0.88 1.25 -1.24 -0.92 -1.48 115.58 113.68 1zke h ASN 70 Ca 0.18 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 1zke h ASN 70 Cb 0.06 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.89 1zke h ASN 70 CO -0.03 0.66 0.47 0.11 -1.29 0.00 0.00 177.43 177.35 1zke h LYS 71 N 0.72 1.24 -0.40 6.67 1.57 -0.87 -1.93 116.57 123.56 1zke h LYS 71 Ca 0.16 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1zke h LYS 71 Cb 0.24 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1zke h LYS 71 CO -0.01 0.92 0.18 0.82 -0.57 0.00 0.00 179.45 180.79 1zke h ILE 72 N 1.24 1.18 -0.49 1.86 1.08 -0.93 -2.50 117.51 118.95 1zke h ILE 72 Ca 0.31 -0.55 0.14 0.00 -0.39 0.00 0.00 64.86 64.37 1zke h ILE 72 Cb 0.05 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 1zke h ILE 72 CO -0.05 0.20 0.37 0.50 -0.69 0.00 0.00 178.15 178.48 1zke h LYS 73 N 0.50 0.00 -0.23 2.37 3.64 -0.77 -0.70 116.57 121.38 1zke h LYS 73 Ca 0.14 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1zke h LYS 73 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1zke h LYS 73 CO -0.01 0.00 0.21 0.87 -2.27 0.00 0.00 179.45 178.25 1zke h LYS 74 N 0.00 0.00 0.00 1.90 1.57 -0.89 0.19 116.57 119.34 1zke h LYS 74 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1zke h LYS 74 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1zke h LYS 74 CO -0.00 0.00 0.00 0.78 -0.57 0.00 0.00 179.45 179.66 1zke h GLY 75 N 0.00 0.00 -0.22 3.86 0.00 -1.25 -2.58 103.07 102.88 1zke h GLY 75 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1zke h GLY 75 CO -0.00 0.00 -0.41 1.04 0.00 0.00 0.00 176.54 177.17 1zke n LEU 76 N -2.52 1.39 -4.77 3.11 4.77 0.66 -4.92 117.00 114.72 1zke n LEU 76 Ca 0.01 -0.46 -0.40 0.00 -0.03 0.00 0.00 56.01 55.13 1zke n LEU 76 Cb 0.20 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1zke n LEU 76 CO 0.20 0.27 0.90 -0.76 -1.33 0.00 0.00 177.39 176.66 1zke s LEU 77 N -2.55 4.46 -0.18 2.23 1.43 -0.97 -5.00 118.68 118.09 1zke s LEU 77 Ca 0.20 2.50 -0.00 0.00 -1.03 0.00 0.00 54.13 55.81 1zke s LEU 77 Cb 0.18 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.74 1zke s LEU 77 CO 0.57 -0.40 -0.15 -0.69 0.23 0.00 0.00 176.35 175.91 1zke s VAL 78 N -1.17 2.50 -1.65 -1.59 1.01 -0.27 -4.59 120.40 114.64 1zke s VAL 78 Ca 0.48 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1zke s VAL 78 Cb -0.36 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1zke s VAL 78 CO 0.47 0.51 0.00 0.49 0.00 0.00 0.00 175.10 176.57 1zke n PHE 79 N 4.47 -0.19 -0.89 5.22 3.72 -1.26 -2.01 117.46 126.52 1zke n PHE 79 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 1zke n PHE 79 Cb 0.51 -2.95 0.00 0.00 -0.94 0.00 0.00 39.48 36.10 1zke n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1zke n GLY 80 N -0.99 0.53 0.00 1.37 0.00 -1.26 -5.31 105.19 99.53 1zke n GLY 80 Ca -0.17 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1zke n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76