#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 0.43 -0.54 1.12 -1.00 -2.02 -1.45 116.94 113.48 1zke h PHE 2 Ca 0.00 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.61 1zke h PHE 2 Cb 0.00 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.46 1zke h PHE 2 CO 0.00 0.86 0.33 0.93 -1.61 0.00 0.00 178.31 178.82 1zke h GLU 3 N 0.25 0.73 -0.39 1.51 5.08 -2.06 -0.82 114.58 118.88 1zke h GLU 3 Ca -0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1zke h GLU 3 Cb 1.14 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1zke h GLU 3 CO 0.10 0.52 0.23 0.87 -1.00 0.00 0.00 179.01 179.73 1zke h LYS 4 N 0.73 0.54 -0.15 2.33 1.57 -1.91 -2.32 116.57 117.35 1zke h LYS 4 Ca 0.19 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1zke h LYS 4 Cb -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1zke h LYS 4 CO -0.04 0.41 0.09 0.82 -0.57 0.00 0.00 179.45 180.16 1zke h ILE 5 N 0.51 1.08 -0.85 1.86 2.04 -1.12 -1.86 117.51 119.17 1zke h ILE 5 Ca 0.14 -0.19 0.10 0.00 1.00 0.00 0.00 64.86 65.91 1zke h ILE 5 Cb 0.01 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 1zke h ILE 5 CO -0.03 0.07 0.49 0.03 0.00 0.00 0.00 178.15 178.72 1zke h ARG 6 N 0.16 0.79 -0.30 2.37 3.08 -1.02 0.15 114.38 119.61 1zke h ARG 6 Ca 0.05 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1zke h ARG 6 Cb 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1zke h ARG 6 CO -0.01 0.52 0.09 -0.22 -1.07 0.00 0.00 179.97 179.29 1zke h LYS 7 N 0.81 0.47 -0.75 0.04 3.64 -1.27 -2.41 116.57 117.12 1zke h LYS 7 Ca 0.42 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1zke h LYS 7 Cb 0.39 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1zke h LYS 7 CO -0.26 0.52 0.45 0.82 -2.27 0.00 0.00 179.45 178.71 1zke h ILE 8 N 0.33 1.21 -0.75 2.00 2.04 -0.47 0.32 117.51 122.19 1zke h ILE 8 Ca 0.10 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1zke h ILE 8 Cb 0.25 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 1zke h ILE 8 CO -0.00 0.22 0.47 -0.07 0.00 0.00 0.00 178.15 178.77 1zke h LEU 9 N 1.02 0.77 -0.47 1.44 3.38 -0.92 0.20 115.31 120.73 1zke h LEU 9 Ca 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1zke h LEU 9 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1zke h LEU 9 CO -0.05 0.53 0.06 0.00 0.09 0.00 0.00 178.44 179.07 1zke h ALA 10 N 1.33 0.62 -0.69 1.53 0.00 -0.88 -1.83 119.26 119.33 1zke h ALA 10 Ca 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1zke h ALA 10 Cb 0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1zke h ALA 10 CO -0.12 0.37 0.31 -0.44 0.00 0.00 0.00 179.25 179.37 1zke h ASP 11 N 0.65 0.91 -0.38 0.00 3.32 -0.52 -1.72 116.42 118.68 1zke h ASP 11 Ca 0.14 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1zke h ASP 11 Cb 0.42 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1zke h ASP 11 CO 0.01 0.78 0.15 0.40 -1.72 0.00 0.00 179.24 178.87 1zke h ILE 12 N 0.99 1.19 -0.93 0.35 2.04 -0.42 -0.10 117.51 120.63 1zke h ILE 12 Ca 0.24 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1zke h ILE 12 Cb 0.13 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1zke h ILE 12 CO -0.03 0.21 0.61 -0.08 0.00 0.00 0.00 178.15 178.86 1zke h GLU 13 N 0.46 1.17 -0.47 2.37 4.57 -1.05 0.23 114.58 121.87 1zke h GLU 13 Ca 0.13 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1zke h GLU 13 Cb 0.19 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1zke h GLU 13 CO -0.01 0.78 0.17 -0.44 -1.18 0.00 0.00 179.01 178.33 1zke h ASP 14 N 1.21 0.66 -0.52 1.04 3.32 -1.08 -1.75 116.42 119.31 1zke h ASP 14 Ca 0.36 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1zke h ASP 14 Cb -0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1zke h ASP 14 CO -0.10 0.67 0.23 -1.28 -1.72 0.00 0.00 179.24 177.04 1zke h SER 15 N 0.62 0.70 -0.32 6.45 0.87 -0.51 -1.09 113.55 120.28 1zke h SER 15 Ca 0.15 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1zke h SER 15 Cb 0.23 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1zke h SER 15 CO -0.01 0.66 0.21 1.56 -0.53 0.00 0.00 176.83 178.72 1zke h GLN 16 N 0.70 0.41 -0.81 2.24 4.20 -0.83 -0.82 115.11 120.20 1zke h GLN 16 Ca 0.18 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.88 1zke h GLN 16 Cb 0.16 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1zke h GLN 16 CO -0.02 0.27 0.53 -0.91 -0.67 0.00 0.00 178.83 178.03 1zke h ASN 17 N 0.42 0.90 -0.45 1.46 2.35 -1.08 0.32 115.58 119.51 1zke h ASN 17 Ca 0.12 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1zke h ASN 17 Cb -0.04 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1zke h ASN 17 CO -0.03 0.64 0.21 -0.08 -1.65 0.00 0.00 177.43 176.51 1zke h GLU 18 N 1.06 0.65 -0.57 0.81 4.57 -0.90 -1.86 114.58 118.33 1zke h GLU 18 Ca 0.31 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 1zke h GLU 18 Cb -0.07 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 1zke h GLU 18 CO -0.09 0.56 0.12 0.82 -1.18 0.00 0.00 179.01 179.25 1zke h ILE 19 N 0.58 1.25 -0.87 2.32 2.04 -0.88 -1.86 117.51 120.09 1zke h ILE 19 Ca 0.15 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1zke h ILE 19 Cb 0.13 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1zke h ILE 19 CO -0.02 0.34 0.53 -0.33 0.00 0.00 0.00 178.15 178.67 1zke h GLU 20 N 0.83 1.18 -0.10 2.37 5.08 -0.75 0.65 114.58 123.84 1zke h GLU 20 Ca 0.18 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1zke h GLU 20 Cb 0.37 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1zke h GLU 20 CO 0.00 0.82 0.03 1.98 -1.00 0.00 0.00 179.01 180.84 1zke h MET 21 N 1.20 0.16 -0.57 2.33 4.05 -1.19 0.07 114.93 121.00 1zke h MET 21 Ca 0.31 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1zke h MET 21 Cb -0.06 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 1zke h MET 21 CO -0.06 0.34 0.37 -0.07 0.23 0.00 0.00 176.91 177.71 1zke h LEU 22 N -0.03 0.66 -0.67 3.39 3.38 -0.87 0.88 115.31 122.04 1zke h LEU 22 Ca 0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1zke h LEU 22 Cb 0.24 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1zke h LEU 22 CO 0.00 0.49 0.35 -0.07 0.09 0.00 0.00 178.44 179.29 1zke h LEU 23 N 0.77 0.85 -0.28 1.67 3.38 -0.80 0.42 115.31 121.32 1zke h LEU 23 Ca 0.21 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1zke h LEU 23 Cb -0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1zke h LEU 23 CO -0.04 0.72 0.18 0.50 0.09 0.00 0.00 178.44 179.89 1zke h LYS 24 N 0.92 0.35 -0.62 1.13 3.64 -0.45 -0.60 116.57 120.94 1zke h LYS 24 Ca 0.23 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1zke h LYS 24 Cb 0.08 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1zke h LYS 24 CO -0.03 0.23 0.23 -0.07 -2.27 0.00 0.00 179.45 177.54 1zke h LEU 25 N 0.37 0.85 -0.01 5.20 3.38 -0.59 -2.71 115.31 121.79 1zke h LEU 25 Ca 0.11 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1zke h LEU 25 Cb -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1zke h LEU 25 CO -0.03 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.27 1zke n ALA 26 N -2.45 2.28 -3.59 1.53 0.00 0.12 -4.95 120.51 113.45 1zke n ALA 26 Ca 0.05 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1zke n ALA 26 Cb 0.19 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.22 1zke n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1zke n ASN 27 N -2.00 -2.14 -3.94 0.00 5.15 -0.29 -4.58 115.26 107.47 1zke n ASN 27 Ca 0.06 -0.78 -0.15 0.00 -0.60 0.00 0.00 54.58 53.12 1zke n ASN 27 Cb 0.39 -4.37 -0.14 0.00 -0.53 0.00 0.00 39.78 35.13 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 -6.47 2.01 0.54 1.20 2.96 -0.85 -4.99 118.68 113.08 1zke s LEU 28 Ca 0.07 -0.07 -0.13 0.00 -0.22 0.00 0.00 54.13 53.78 1zke s LEU 28 Cb -0.02 -0.20 -0.06 0.00 0.50 0.00 0.00 46.19 46.41 1zke s LEU 28 CO 0.79 0.05 0.96 -0.94 -1.32 0.00 0.00 176.35 175.88 1zke s SER 29 N -0.10 6.43 0.24 3.68 1.04 -1.26 -4.56 113.70 119.17 1zke s SER 29 Ca 0.01 1.40 -0.07 0.00 0.48 0.00 0.00 55.95 57.78 1zke s SER 29 Cb -0.02 -2.45 0.26 0.00 0.10 0.00 0.00 66.02 63.91 1zke s SER 29 CO -0.00 -0.67 1.89 0.25 0.98 0.00 0.00 173.24 175.69 1zke h LEU 30 N 0.44 0.97 -0.34 2.42 5.85 -1.97 -0.73 115.31 121.94 1zke h LEU 30 Ca -0.46 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.30 1zke h LEU 30 Cb 1.19 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1zke h LEU 30 CO 0.62 0.68 0.09 1.23 -0.34 0.00 0.00 178.44 180.71 1zke h GLY 31 N 1.14 0.41 0.97 3.75 0.00 -1.99 -1.63 103.07 105.72 1zke h GLY 31 Ca 0.35 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1zke h GLY 31 CO -0.10 -0.00 0.18 -0.55 0.00 0.00 0.00 176.54 176.07 1zke h ASP 32 N 0.22 0.73 -0.37 0.19 5.19 -1.85 -0.79 116.42 119.74 1zke h ASP 32 Ca 0.16 -0.19 0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1zke h ASP 32 Cb 0.16 -0.19 -0.07 0.00 0.18 0.00 0.00 39.33 39.41 1zke h ASP 32 CO -0.19 0.72 -0.08 0.15 -3.12 0.00 0.00 179.24 176.71 1zke h PHE 33 N 0.70 -0.18 -0.47 4.55 3.57 -0.76 0.14 116.94 124.49 1zke h PHE 33 Ca 0.17 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1zke h PHE 33 Cb 0.24 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1zke h PHE 33 CO 0.01 -0.15 0.18 0.82 -2.23 0.00 0.00 178.31 176.94 1zke h ILE 34 N 0.01 1.21 -0.24 1.41 1.08 -1.11 -0.42 117.51 119.45 1zke h ILE 34 Ca 0.18 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 1zke h ILE 34 Cb 0.27 0.77 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 1zke h ILE 34 CO -0.38 0.24 0.11 -0.33 -0.69 0.00 0.00 178.15 177.11 1zke h GLU 35 N 0.61 0.32 0.10 2.37 4.39 -0.35 -1.45 114.58 120.57 1zke h GLU 35 Ca 0.16 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.65 1zke h GLU 35 Cb 0.21 -0.07 0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1zke h GLU 35 CO -0.01 0.26 -0.75 0.82 -1.16 0.00 0.00 179.01 178.17 1zke h ILE 36 N 0.33 1.48 -0.49 3.13 2.04 -0.52 -0.61 117.51 122.87 1zke h ILE 36 Ca 0.09 -2.38 0.01 0.00 1.00 0.00 0.00 64.86 63.57 1zke h ILE 36 Cb 0.04 3.00 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 1zke h ILE 36 CO -0.01 0.68 0.32 0.11 0.00 0.00 0.00 178.15 179.25 1zke h LYS 37 N -0.28 0.62 -0.00 2.37 1.79 -0.81 -2.36 116.57 117.90 1zke h LYS 37 Ca -0.12 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1zke h LYS 37 Cb 1.54 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 1zke h LYS 37 CO 0.14 0.41 -0.10 2.89 -1.08 0.00 0.00 179.45 181.71 1zke n ARG 38 N -4.47 0.32 -0.34 3.15 1.85 -0.57 -4.92 116.66 111.68 1zke n ARG 38 Ca 0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 1zke n ARG 38 Cb 0.07 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 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 1.38 0.83 0.11 2.89 0.00 -0.89 -4.96 105.19 104.55 1zke n GLY 39 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.97 1.61 0.02 -1.53 -3.45 113.55 106.22 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 -0.31 0.00 0.14 0.00 0.00 62.40 62.23 1zke h SER 40 CO 0.00 0.72 -0.88 -0.32 -1.14 0.00 0.00 176.83 175.21 1zke s MET 41 N -2.93 2.53 0.53 3.45 0.00 -0.33 -4.99 119.30 117.55 1zke s MET 41 Ca 0.02 -0.89 -0.21 0.00 0.00 0.00 0.00 55.69 54.61 1zke s MET 41 Cb 0.09 -2.13 -0.05 0.00 0.00 0.00 0.00 34.83 32.73 1zke s MET 41 CO 0.78 0.36 1.24 -0.51 0.00 0.00 0.00 175.02 176.89 1zke s ASP 42 N -0.13 5.60 -0.30 1.11 1.01 -1.26 -4.29 116.67 118.41 1zke s ASP 42 Ca -0.04 2.48 -0.38 0.00 0.71 0.00 0.00 52.55 55.32 1zke s ASP 42 Cb -0.14 -2.61 -0.14 0.00 1.01 0.00 0.00 42.92 41.04 1zke s ASP 42 CO 0.04 -1.32 1.95 0.80 0.21 0.00 0.00 175.17 176.85 1zke n MET 43 N -0.97 1.16 -2.18 8.23 1.56 -1.26 -4.92 117.12 118.74 1zke n MET 43 Ca 0.10 0.39 -0.39 0.00 -0.27 0.00 0.00 57.70 57.53 1zke n MET 43 Cb 0.47 -2.26 -0.01 0.00 2.15 0.00 0.00 33.22 33.57 1zke n MET 43 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 1zke s PRO 44 N 4.78 4.06 0.43 2.12 0.02 -1.26 -4.98 135.00 140.17 1zke s PRO 44 Ca 1.03 2.01 -0.22 0.00 0.02 0.00 0.00 61.00 63.85 1zke s PRO 44 Cb -0.98 -2.77 -0.10 0.00 0.02 0.00 0.00 34.50 30.67 1zke s PRO 44 CO 0.58 -0.36 0.99 0.21 -0.33 0.00 0.00 177.00 178.08 1zke s LYS 45 N -2.19 4.14 0.00 5.54 2.20 -1.26 -2.61 119.74 125.56 1zke s LYS 45 Ca 0.56 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.42 1zke s LYS 45 Cb -0.35 -2.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 1zke s LYS 45 CO 0.44 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.72 1zke n GLY 46 N -0.29 3.18 3.71 5.54 0.00 -1.26 -5.04 105.19 111.03 1zke n GLY 46 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.88 5.05 -0.54 1.61 1.01 -1.07 -5.01 120.40 118.56 1zke s VAL 47 Ca 0.00 1.43 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 1zke s VAL 47 Cb 0.00 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.38 1zke s VAL 47 CO 0.00 0.25 1.05 0.21 0.00 0.00 0.00 175.10 176.61 1zke s ASN 48 N 0.81 6.43 0.59 3.32 2.47 -1.26 -4.90 114.94 122.39 1zke s ASN 48 Ca 0.37 -0.04 0.39 0.00 0.42 0.00 0.00 52.86 54.01 1zke s ASN 48 Cb -0.18 -2.49 2.09 0.00 -1.45 0.00 0.00 41.25 39.22 1zke s ASN 48 CO 0.18 -1.30 2.20 1.05 -3.72 0.00 0.00 177.10 175.50 1zke h GLU 49 N 9.36 0.00 -0.10 0.43 9.09 -1.95 -2.46 114.58 128.96 1zke h GLU 49 Ca -0.25 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.19 1zke h GLU 49 Cb 1.07 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.16 1zke h GLU 49 CO 1.12 0.00 0.11 0.00 0.05 0.00 0.00 179.01 180.29 1zke h ALA 50 N 2.01 1.69 0.00 1.06 0.00 -2.04 -0.97 119.26 121.01 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 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1zke h ALA 50 CO 0.00 -0.15 0.00 0.74 0.00 0.00 0.00 179.25 179.84 1zke h PHE 51 N 0.00 0.00 0.00 0.00 0.04 -1.86 -3.24 116.94 111.88 1zke h PHE 51 Ca 0.05 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.74 1zke h PHE 51 Cb 0.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 1zke h PHE 51 CO 0.00 0.00 -0.34 0.74 -0.60 0.00 0.00 178.31 178.11 1zke h PHE 52 N 0.00 0.00 0.40 -0.55 -1.00 -1.40 -1.67 116.94 112.72 1zke h PHE 52 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1zke h PHE 52 Cb 0.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1zke h PHE 52 CO 0.00 0.34 -0.19 1.15 -1.61 0.00 0.00 178.31 178.00 1zke h THR 53 N 0.00 0.61 -0.45 -1.55 2.02 -1.76 0.56 112.91 112.34 1zke h THR 53 Ca -0.00 -0.16 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 1zke h THR 53 Cb 0.64 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1zke h THR 53 CO 0.04 0.03 -0.22 -0.61 0.37 0.00 0.00 175.52 175.14 1zke h GLN 54 N -0.62 0.95 -0.58 6.66 5.75 -1.77 -2.12 115.11 123.37 1zke h GLN 54 Ca -0.05 -0.41 0.04 0.00 -0.15 0.00 0.00 58.65 58.07 1zke h GLN 54 Cb 0.46 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.94 1zke h GLN 54 CO 0.09 1.08 0.33 -0.07 -2.65 0.00 0.00 178.83 177.60 1zke h LEU 55 N 0.79 0.51 -0.60 -2.39 3.38 -1.26 -0.45 115.31 115.28 1zke h LEU 55 Ca 0.10 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1zke h LEU 55 Cb 0.79 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1zke h LEU 55 CO 0.07 0.35 0.35 0.28 0.09 0.00 0.00 178.44 179.58 1zke h SER 56 N 0.64 0.73 -0.45 -0.43 0.02 -0.78 -0.28 113.55 112.99 1zke h SER 56 Ca 0.24 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1zke h SER 56 Cb 0.09 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1zke h SER 56 CO -0.13 0.59 0.28 -0.33 -1.14 0.00 0.00 176.83 176.10 1zke h GLU 57 N 0.82 0.55 -0.21 3.45 5.08 -0.92 -0.56 114.58 122.79 1zke h GLU 57 Ca 0.22 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.36 1zke h GLU 57 Cb -0.00 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 1zke h GLU 57 CO -0.04 0.36 -0.61 0.93 -1.00 0.00 0.00 179.01 178.66 1zke h GLU 58 N 0.57 0.71 -0.52 2.33 4.39 -0.88 -1.64 114.58 119.53 1zke h GLU 58 Ca 0.17 -0.48 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 1zke h GLU 58 Cb -0.02 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1zke h GLU 58 CO -0.06 1.10 0.02 0.28 -1.16 0.00 0.00 179.01 179.18 1zke h VAL 59 N 0.53 1.25 -0.67 3.13 2.07 -0.97 -1.21 116.25 120.37 1zke h VAL 59 Ca -0.00 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1zke h VAL 59 Cb 1.19 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1zke h VAL 59 CO 0.12 0.36 0.43 -0.08 0.02 0.00 0.00 177.57 178.43 1zke h GLU 60 N 0.81 0.90 -0.59 1.57 4.57 -0.89 -0.72 114.58 120.22 1zke h GLU 60 Ca 0.16 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1zke h GLU 60 Cb 0.46 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1zke h GLU 60 CO 0.02 0.61 0.32 -0.09 -1.18 0.00 0.00 179.01 178.69 1zke h ARG 61 N 0.91 0.83 -0.42 1.92 2.43 -0.92 -0.66 114.38 118.47 1zke h ARG 61 Ca 0.24 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1zke h ARG 61 Cb -0.08 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1zke h ARG 61 CO -0.05 0.65 0.27 1.25 -1.51 0.00 0.00 179.97 180.57 1zke h LEU 62 N 0.80 0.45 -0.69 3.80 5.85 -0.93 0.00 115.31 124.60 1zke h LEU 62 Ca 0.21 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1zke h LEU 62 Cb 0.06 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1zke h LEU 62 CO -0.03 0.32 0.42 0.11 -0.34 0.00 0.00 178.44 178.93 1zke h LYS 63 N 0.54 0.92 -0.35 1.25 1.57 -0.86 -1.74 116.57 117.90 1zke h LYS 63 Ca 0.16 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1zke h LYS 63 Cb -0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1zke h LYS 63 CO -0.05 0.65 -0.13 0.93 -0.57 0.00 0.00 179.45 180.28 1zke h GLU 64 N 0.93 0.61 -0.34 3.15 4.39 -0.79 -0.34 114.58 122.18 1zke h GLU 64 Ca 0.25 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1zke h GLU 64 Cb -0.05 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1zke h GLU 64 CO -0.05 0.72 0.12 -0.07 -1.16 0.00 0.00 179.01 178.57 1zke h LEU 65 N 0.55 0.49 -0.83 1.33 3.38 -0.72 -0.22 115.31 119.29 1zke h LEU 65 Ca 0.10 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1zke h LEU 65 Cb 0.55 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1zke h LEU 65 CO 0.03 0.55 0.22 0.40 0.09 0.00 0.00 178.44 179.74 1zke h ILE 66 N 0.40 1.25 -0.49 1.22 2.04 -1.08 -2.22 117.51 118.65 1zke h ILE 66 Ca 0.11 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1zke h ILE 66 Cb 0.23 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1zke h ILE 66 CO -0.01 0.35 0.18 0.78 0.00 0.00 0.00 178.15 179.45 1zke h ASN 67 N 1.05 0.64 -0.73 1.72 -0.26 -0.93 -1.10 115.58 115.97 1zke h ASN 67 Ca 0.23 -0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.84 1zke h ASN 67 Cb 0.30 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 1zke h ASN 67 CO -0.01 0.60 0.29 0.00 -1.06 0.00 0.00 177.43 177.25 1zke h ALA 68 N 1.50 0.95 -0.30 -0.83 0.00 -0.49 -1.31 119.26 118.78 1zke h ALA 68 Ca 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1zke h ALA 68 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1zke h ALA 68 CO -0.01 0.58 0.11 1.25 0.00 0.00 0.00 179.25 181.18 1zke h LEU 69 N 1.06 0.41 -0.70 0.00 5.85 -1.01 -1.80 115.31 119.12 1zke h LEU 69 Ca 0.24 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.92 1zke h LEU 69 Cb 0.22 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 1zke h LEU 69 CO -0.02 0.48 0.23 0.78 -0.34 0.00 0.00 178.44 179.57 1zke h ASN 70 N 0.33 0.17 -0.39 1.25 -0.26 -0.84 -1.29 115.58 114.54 1zke h ASN 70 Ca 0.10 0.11 -0.06 0.00 -0.56 0.00 0.00 56.30 55.89 1zke h ASN 70 Cb 0.19 0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1zke h ASN 70 CO -0.01 0.06 -0.01 0.50 -1.06 0.00 0.00 177.43 176.92 1zke h LYS 71 N 0.37 0.70 -0.54 0.81 1.63 -1.05 -2.73 116.57 115.75 1zke h LYS 71 Ca 0.38 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 60.00 1zke h LYS 71 Cb 0.59 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 1zke h LYS 71 CO -0.41 0.80 0.29 0.82 -3.45 0.00 0.00 179.45 177.49 1zke h ILE 72 N 0.52 0.97 -0.23 2.00 2.04 -0.91 -2.10 117.51 119.80 1zke h ILE 72 Ca 0.11 -0.19 0.07 0.00 1.00 0.00 0.00 64.86 65.85 1zke h ILE 72 Cb 0.49 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1zke h ILE 72 CO 0.02 0.10 0.19 0.50 0.00 0.00 0.00 178.15 178.96 1zke h LYS 73 N 0.56 0.00 -0.01 2.37 3.64 -1.01 -1.13 116.57 120.98 1zke h LYS 73 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1zke h LYS 73 Cb 0.13 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1zke h LYS 73 CO -0.15 0.00 0.01 -0.22 -2.27 0.00 0.00 179.45 176.82 1zke h LYS 74 N 0.00 0.00 0.00 1.90 3.64 -1.08 0.83 116.57 121.86 1zke h LYS 74 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1zke h LYS 74 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1zke h LYS 74 CO -0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 1zke n GLY 75 N -1.44 -1.04 0.96 5.01 0.00 -0.43 -2.42 105.19 105.84 1zke n GLY 75 Ca -0.03 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1zke n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1zke n LEU 76 N -1.79 2.97 -4.77 0.99 4.77 0.28 -4.95 117.00 114.52 1zke n LEU 76 Ca 0.02 -1.07 -0.41 0.00 -0.03 0.00 0.00 56.01 54.53 1zke n LEU 76 Cb 0.17 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1zke n LEU 76 CO 0.14 0.54 1.04 -0.76 -1.33 0.00 0.00 177.39 177.02 1zke s LEU 77 N -1.88 4.39 -0.09 2.23 1.43 -1.02 -4.99 118.68 118.76 1zke s LEU 77 Ca 0.31 2.78 0.01 0.00 -1.03 0.00 0.00 54.13 56.20 1zke s LEU 77 Cb 0.21 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.80 1zke s LEU 77 CO 0.31 -0.65 -0.10 -0.69 0.23 0.00 0.00 176.35 175.45 1zke s VAL 78 N -0.94 1.08 -1.83 -1.59 1.01 -0.14 -4.72 120.40 113.27 1zke s VAL 78 Ca 0.52 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1zke s VAL 78 Cb -0.42 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1zke s VAL 78 CO 0.54 0.36 0.00 0.49 0.00 0.00 0.00 175.10 176.49 1zke n PHE 79 N 4.33 -0.22 -0.77 5.22 3.72 -1.26 -1.81 117.46 126.68 1zke n PHE 79 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1zke n PHE 79 Cb 0.51 -3.22 0.00 0.00 -0.94 0.00 0.00 39.48 35.83 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 -0.82 0.69 0.00 1.37 0.00 -1.26 -5.32 105.19 99.84 1zke n GLY 80 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1zke n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76