#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zke h HIS 0 N 0.00 0.72 -0.35 1.61 -0.00 -2.05 -1.58 115.15 113.50 1zke h HIS 0 Ca 0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 1zke h HIS 0 Cb 0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 1zke h HIS 0 CO 0.00 0.44 0.11 1.98 -0.00 0.00 0.00 177.93 180.46 1zke h MET 1 N 0.77 0.54 -0.11 5.12 4.05 -2.02 -1.35 114.93 121.93 1zke h MET 1 Ca 0.23 -0.12 -0.12 0.00 -0.28 0.00 0.00 59.70 59.41 1zke h MET 1 Cb -0.04 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 1zke h MET 1 CO -0.07 0.57 -0.47 0.74 0.23 0.00 0.00 176.91 177.91 1zke h PHE 2 N 0.41 0.34 -0.51 1.39 0.05 -1.94 -0.90 116.94 115.78 1zke h PHE 2 Ca 0.11 -0.11 -0.08 0.00 3.82 0.00 0.00 57.97 61.72 1zke h PHE 2 Cb 0.25 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 38.11 1zke h PHE 2 CO 0.01 0.70 0.01 0.93 -0.18 0.00 0.00 178.31 179.78 1zke h GLU 3 N 0.23 0.85 -0.35 1.51 4.39 -1.09 -0.12 114.58 120.00 1zke h GLU 3 Ca 0.01 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1zke h GLU 3 Cb 0.92 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1zke h GLU 3 CO 0.08 0.85 0.13 0.87 -1.16 0.00 0.00 179.01 179.77 1zke h LYS 4 N 0.79 0.53 -0.40 2.33 1.57 -0.79 -1.92 116.57 118.69 1zke h LYS 4 Ca 0.15 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1zke h LYS 4 Cb 0.46 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1zke h LYS 4 CO 0.02 0.53 0.25 0.82 -0.57 0.00 0.00 179.45 180.50 1zke h ILE 5 N 0.42 1.13 -0.78 1.86 2.04 -0.97 -1.50 117.51 119.71 1zke h ILE 5 Ca 0.12 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1zke h ILE 5 Cb 0.21 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1zke h ILE 5 CO -0.01 0.13 0.48 0.03 0.00 0.00 0.00 178.15 178.78 1zke h ARG 6 N 0.53 0.88 -0.54 2.37 3.08 -0.89 0.10 114.38 119.91 1zke h ARG 6 Ca 0.14 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1zke h ARG 6 Cb -0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1zke h ARG 6 CO -0.03 0.58 0.24 -0.22 -1.07 0.00 0.00 179.97 179.47 1zke h LYS 7 N 0.90 0.79 -0.55 0.04 1.63 -1.03 -1.85 116.57 116.50 1zke h LYS 7 Ca 0.33 -0.13 -0.08 0.00 -0.85 0.00 0.00 60.65 59.93 1zke h LYS 7 Cb 0.12 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 1zke h LYS 7 CO -0.15 0.67 0.05 0.82 -3.45 0.00 0.00 179.45 177.39 1zke h ILE 8 N 0.73 1.26 -0.68 2.00 2.04 -0.55 -1.33 117.51 120.98 1zke h ILE 8 Ca 0.18 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 65.05 1zke h ILE 8 Cb 0.16 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1zke h ILE 8 CO -0.02 0.37 0.40 -0.07 0.00 0.00 0.00 178.15 178.83 1zke h LEU 9 N 0.83 0.62 -0.60 1.44 3.38 -0.62 0.17 115.31 120.53 1zke h LEU 9 Ca 0.16 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1zke h LEU 9 Cb 0.47 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1zke h LEU 9 CO 0.02 0.41 0.14 0.00 0.09 0.00 0.00 178.44 179.10 1zke h ALA 10 N 1.33 0.79 -0.43 1.53 0.00 -1.05 -1.42 119.26 120.01 1zke h ALA 10 Ca 0.29 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1zke h ALA 10 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1zke h ALA 10 CO -0.15 0.51 -0.03 -0.44 0.00 0.00 0.00 179.25 179.14 1zke h ASP 11 N 0.88 0.68 -0.39 0.00 3.32 -0.62 -1.74 116.42 118.56 1zke h ASP 11 Ca 0.19 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1zke h ASP 11 Cb 0.37 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1zke h ASP 11 CO 0.00 0.78 0.16 0.40 -1.72 0.00 0.00 179.24 178.86 1zke h ILE 12 N 0.66 1.19 -0.36 0.35 2.04 -0.31 0.48 117.51 121.57 1zke h ILE 12 Ca 0.13 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.46 1zke h ILE 12 Cb 0.46 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1zke h ILE 12 CO 0.02 0.21 0.10 -0.33 0.00 0.00 0.00 178.15 178.15 1zke h GLU 13 N 0.48 0.22 -0.37 2.37 4.39 -0.99 -0.04 114.58 120.65 1zke h GLU 13 Ca 0.13 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1zke h GLU 13 Cb 0.17 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1zke h GLU 13 CO -0.01 0.15 0.15 -0.44 -1.16 0.00 0.00 179.01 177.70 1zke h ASP 14 N 0.23 0.51 -0.46 1.42 3.32 -1.20 -1.39 116.42 118.85 1zke h ASP 14 Ca 0.17 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1zke h ASP 14 Cb 0.17 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1zke h ASP 14 CO -0.20 0.53 0.21 -1.28 -1.72 0.00 0.00 179.24 176.79 1zke h SER 15 N 0.46 0.28 -0.66 6.45 0.87 -0.63 -0.48 113.55 119.84 1zke h SER 15 Ca 0.12 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1zke h SER 15 Cb 0.18 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1zke h SER 15 CO -0.01 0.20 0.39 1.56 -0.53 0.00 0.00 176.83 178.44 1zke h GLN 16 N 0.42 0.90 -0.63 2.24 4.20 -0.77 -0.04 115.11 121.44 1zke h GLN 16 Ca 0.21 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1zke h GLN 16 Cb 0.14 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1zke h GLN 16 CO -0.17 0.65 0.35 -0.91 -0.67 0.00 0.00 178.83 178.08 1zke h ASN 17 N 0.89 0.78 -0.52 1.46 2.35 -0.83 -0.05 115.58 119.66 1zke h ASN 17 Ca 0.23 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 1zke h ASN 17 Cb -0.01 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1zke h ASN 17 CO -0.04 0.64 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.98 1zke h GLU 18 N 0.85 0.96 -0.44 0.81 5.08 -0.77 -2.11 114.58 118.96 1zke h GLU 18 Ca 0.22 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1zke h GLU 18 Cb 0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1zke h GLU 18 CO -0.04 1.01 0.29 0.82 -1.00 0.00 0.00 179.01 180.09 1zke h ILE 19 N 0.83 1.11 -0.98 3.13 2.04 -0.76 0.59 117.51 123.48 1zke h ILE 19 Ca 0.14 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1zke h ILE 19 Cb 0.62 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1zke h ILE 19 CO 0.04 0.11 0.65 -0.33 0.00 0.00 0.00 178.15 178.62 1zke h GLU 20 N 0.59 1.28 -0.35 2.37 5.08 -0.85 0.15 114.58 122.85 1zke h GLU 20 Ca 0.16 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1zke h GLU 20 Cb -0.06 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 28.88 1zke h GLU 20 CO -0.03 0.85 0.07 1.98 -1.00 0.00 0.00 179.01 180.87 1zke h MET 21 N 1.32 0.57 -0.37 2.33 4.05 -0.99 -1.88 114.93 119.96 1zke h MET 21 Ca 0.36 -0.15 -0.09 0.00 -0.28 0.00 0.00 59.70 59.54 1zke h MET 21 Cb -0.14 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.57 1zke h MET 21 CO -0.08 0.63 -0.16 -0.07 0.23 0.00 0.00 176.91 177.46 1zke h LEU 22 N 0.42 0.67 -0.79 3.39 3.38 -0.25 -0.39 115.31 121.73 1zke h LEU 22 Ca 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1zke h LEU 22 Cb 0.33 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1zke h LEU 22 CO 0.00 0.84 0.50 -0.07 0.09 0.00 0.00 178.44 179.81 1zke h LEU 23 N 0.61 0.93 -0.12 1.67 3.38 -0.63 -0.49 115.31 120.66 1zke h LEU 23 Ca 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1zke h LEU 23 Cb 0.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1zke h LEU 23 CO 0.04 0.70 0.05 0.50 0.09 0.00 0.00 178.44 179.83 1zke h LYS 24 N 1.08 0.17 -0.19 1.13 3.64 -0.83 -0.60 116.57 120.97 1zke h LYS 24 Ca 0.29 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1zke h LYS 24 Cb -0.08 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1zke h LYS 24 CO -0.06 0.26 0.06 -0.07 -2.27 0.00 0.00 179.45 177.37 1zke h LEU 25 N 0.05 0.23 -0.12 5.20 3.38 -0.88 -1.81 115.31 121.37 1zke h LEU 25 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1zke h LEU 25 Cb 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1zke h LEU 25 CO -0.00 0.22 -0.26 0.00 0.09 0.00 0.00 178.44 178.49 1zke n ALA 26 N -2.50 3.01 -3.86 1.53 0.00 -0.21 -4.83 120.51 113.65 1zke n ALA 26 Ca -0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 53.44 52.91 1zke n ALA 26 Cb 0.13 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1zke n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1zke n ASN 27 N -1.25 -1.69 -4.20 0.00 3.02 -0.36 -4.63 115.26 106.14 1zke n ASN 27 Ca 0.09 -0.89 -0.23 0.00 -0.03 0.00 0.00 54.58 53.53 1zke n ASN 27 Cb 0.32 -3.61 -0.14 0.00 -0.61 0.00 0.00 39.78 35.74 1zke n ASN 27 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1zke s LEU 28 N -6.92 2.18 0.60 3.41 1.43 -0.45 -5.05 118.68 113.89 1zke s LEU 28 Ca 0.17 -0.50 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 1zke s LEU 28 Cb -0.09 -0.78 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 1zke s LEU 28 CO 0.85 0.09 0.97 -0.94 0.23 0.00 0.00 176.35 177.54 1zke s SER 29 N -1.20 5.92 0.28 2.29 1.04 -1.26 -4.46 113.70 116.30 1zke s SER 29 Ca 0.04 1.10 -0.03 0.00 0.48 0.00 0.00 55.95 57.55 1zke s SER 29 Cb -0.08 -2.14 0.39 0.00 0.10 0.00 0.00 66.02 64.29 1zke s SER 29 CO 0.02 -0.96 1.93 0.25 0.98 0.00 0.00 173.24 175.46 1zke h LEU 30 N -0.25 1.03 -0.42 2.42 5.85 -1.99 -1.00 115.31 120.94 1zke h LEU 30 Ca -0.45 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.27 1zke h LEU 30 Cb 1.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1zke h LEU 30 CO 0.62 0.71 0.25 1.23 -0.34 0.00 0.00 178.44 180.91 1zke h GLY 31 N 1.20 0.59 0.77 3.75 0.00 -2.00 -1.53 103.07 105.85 1zke h GLY 31 Ca 0.36 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.55 1zke h GLY 31 CO -0.10 0.16 0.30 -0.55 0.00 0.00 0.00 176.54 176.35 1zke h ASP 32 N 0.50 0.46 -0.22 0.19 3.32 -1.79 -0.72 116.42 118.15 1zke h ASP 32 Ca 0.17 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.28 1zke h ASP 32 Cb 0.02 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1zke h ASP 32 CO -0.08 0.32 -0.05 0.15 -1.72 0.00 0.00 179.24 177.85 1zke h PHE 33 N 0.59 -0.11 -0.76 4.55 3.04 -0.74 -0.48 116.94 123.02 1zke h PHE 33 Ca 0.24 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 1zke h PHE 33 Cb 0.10 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1zke h PHE 33 CO -0.08 -0.09 0.37 0.82 -2.02 0.00 0.00 178.31 177.31 1zke h ILE 34 N 0.00 1.24 -0.70 1.41 1.08 -0.90 -0.14 117.51 119.49 1zke h ILE 34 Ca 0.11 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 1zke h ILE 34 Cb 0.16 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 34.16 1zke h ILE 34 CO -0.23 0.28 0.38 -0.33 -0.69 0.00 0.00 178.15 177.57 1zke h GLU 35 N 1.06 0.97 -0.10 2.37 4.39 -0.58 -1.07 114.58 121.63 1zke h GLU 35 Ca 0.26 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1zke h GLU 35 Cb 0.10 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1zke h GLU 35 CO -0.03 0.72 -0.05 0.82 -1.16 0.00 0.00 179.01 179.30 1zke h ILE 36 N 0.98 1.33 -0.63 3.13 2.04 -0.70 0.04 117.51 123.70 1zke h ILE 36 Ca 0.25 -1.10 0.07 0.00 1.00 0.00 0.00 64.86 65.08 1zke h ILE 36 Cb 0.03 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1zke h ILE 36 CO -0.04 0.31 0.42 0.11 0.00 0.00 0.00 178.15 178.95 1zke h LYS 37 N -0.16 0.59 -0.01 2.37 1.79 -0.75 -1.94 116.57 118.46 1zke h LYS 37 Ca 0.02 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1zke h LYS 37 Cb 0.52 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1zke h LYS 37 CO 0.02 0.39 -0.09 2.89 -1.08 0.00 0.00 179.45 181.57 1zke n ARG 38 N -4.48 1.15 -0.78 3.15 1.85 -0.43 -4.93 116.66 112.19 1zke n ARG 38 Ca 0.09 -0.56 0.00 0.00 -1.00 0.00 0.00 57.85 56.39 1zke n ARG 38 Cb 0.25 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 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 1.22 0.57 0.08 2.89 0.00 -0.73 -4.95 105.19 104.27 1zke n GLY 39 Ca 0.17 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1zke n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1zke n SER 40 N 0.66 0.66 -4.04 1.61 7.64 -0.07 -4.87 113.62 115.20 1zke n SER 40 Ca 0.00 0.17 -0.25 0.00 1.01 0.00 0.00 58.87 59.80 1zke n SER 40 Cb 0.00 0.74 -0.17 0.00 -1.01 0.00 0.00 64.21 63.77 1zke n SER 40 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1zke s MET 41 N -3.35 1.82 0.58 1.43 0.00 -0.79 -4.97 119.30 114.02 1zke s MET 41 Ca -0.01 -0.45 -0.20 0.00 0.00 0.00 0.00 55.69 55.03 1zke s MET 41 Cb 0.11 -1.49 -0.04 0.00 0.00 0.00 0.00 34.83 33.42 1zke s MET 41 CO 0.81 0.04 1.33 -0.51 0.00 0.00 0.00 175.02 176.68 1zke s ASP 42 N 0.65 5.04 -0.07 1.11 1.01 -1.26 -4.28 116.67 118.86 1zke s ASP 42 Ca -0.15 2.70 -0.29 0.00 0.71 0.00 0.00 52.55 55.52 1zke s ASP 42 Cb -0.16 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 41.07 1zke s ASP 42 CO 0.04 -1.72 2.00 -0.32 0.21 0.00 0.00 175.17 175.38 1zke s MET 43 N -3.08 3.81 0.47 8.23 -2.45 -1.26 -4.94 119.30 120.07 1zke s MET 43 Ca 0.76 2.33 -0.25 0.00 -1.25 0.00 0.00 55.69 57.28 1zke s MET 43 Cb -0.39 -4.21 -0.08 0.00 1.25 0.00 0.00 34.83 31.41 1zke s MET 43 CO 0.44 -1.33 1.41 -2.14 1.05 0.00 0.00 175.02 174.46 1zke s PRO 44 N 5.03 3.59 0.53 4.11 0.02 -1.26 -4.87 135.00 142.16 1zke s PRO 44 Ca 0.90 2.39 0.24 0.00 0.02 0.00 0.00 61.00 64.54 1zke s PRO 44 Cb -0.38 -2.59 1.48 0.00 0.02 0.00 0.00 34.50 33.04 1zke s PRO 44 CO 0.38 -0.88 2.14 0.87 -0.33 0.00 0.00 177.00 179.18 1zke h LYS 45 N 2.18 0.00 -0.05 5.54 1.79 -2.02 -2.10 116.57 121.90 1zke h LYS 45 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1zke h LYS 45 Cb 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1zke h LYS 45 CO 0.60 0.07 0.00 0.41 -1.08 0.00 0.00 179.45 179.45 1zke n GLY 46 N -1.13 0.19 3.66 3.86 0.00 -1.26 -4.86 105.19 105.65 1zke n GLY 46 Ca -0.03 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.95 4.70 0.09 1.61 1.01 -0.79 -4.98 120.40 120.08 1zke s VAL 47 Ca 0.36 1.99 -0.31 0.00 0.00 0.00 0.00 61.98 64.02 1zke s VAL 47 Cb 0.20 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1zke s VAL 47 CO 0.32 -0.15 1.62 0.21 0.00 0.00 0.00 175.10 177.09 1zke s ASN 48 N 1.20 6.62 0.22 3.32 2.47 -1.26 -4.92 114.94 122.59 1zke s ASN 48 Ca 0.43 2.49 -0.07 0.00 0.42 0.00 0.00 52.86 56.13 1zke s ASN 48 Cb -0.15 -2.57 0.17 0.00 -1.45 0.00 0.00 41.25 37.25 1zke s ASN 48 CO 0.07 -0.86 1.80 -0.33 -3.72 0.00 0.00 177.10 174.06 1zke h GLU 49 N 7.96 1.22 -0.49 0.43 5.08 -1.98 -1.27 114.58 125.53 1zke h GLU 49 Ca -0.42 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 57.61 1zke h GLU 49 Cb 1.20 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1zke h GLU 49 CO 0.92 0.95 -0.22 0.00 -1.00 0.00 0.00 179.01 179.67 1zke h ALA 50 N 1.20 0.68 -0.53 3.43 0.00 -1.99 -1.12 119.26 120.92 1zke h ALA 50 Ca 0.28 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1zke h ALA 50 Cb 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1zke h ALA 50 CO -0.03 0.67 0.25 0.74 0.00 0.00 0.00 179.25 180.88 1zke h PHE 51 N 0.86 0.45 -0.65 0.00 0.05 -1.91 -0.50 116.94 115.24 1zke h PHE 51 Ca 0.11 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.91 1zke h PHE 51 Cb 0.80 -0.12 -0.03 0.00 2.00 0.00 0.00 35.95 38.60 1zke h PHE 51 CO 0.05 0.20 0.34 0.35 -0.18 0.00 0.00 178.31 179.07 1zke h PHE 52 N 0.48 0.91 -0.46 -0.55 3.57 -0.82 0.19 116.94 120.25 1zke h PHE 52 Ca 0.24 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1zke h PHE 52 Cb 0.19 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1zke h PHE 52 CO -0.12 0.66 0.20 1.15 -2.23 0.00 0.00 178.31 177.97 1zke h THR 53 N 0.89 1.20 -0.47 4.41 2.02 -0.95 0.10 112.91 120.11 1zke h THR 53 Ca 0.23 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1zke h THR 53 Cb 0.07 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1zke h THR 53 CO -0.03 0.23 0.14 -0.61 0.37 0.00 0.00 175.52 175.61 1zke h GLN 54 N 0.61 0.74 -0.50 6.66 4.15 -0.69 -1.41 115.11 124.67 1zke h GLN 54 Ca 0.16 -0.17 0.04 0.00 0.77 0.00 0.00 58.65 59.45 1zke h GLN 54 Cb 0.17 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 1zke h GLN 54 CO -0.01 0.71 0.26 1.25 -1.93 0.00 0.00 178.83 179.11 1zke h LEU 55 N 0.63 0.39 -0.61 -2.39 5.85 -0.48 -1.20 115.31 117.49 1zke h LEU 55 Ca 0.15 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1zke h LEU 55 Cb 0.29 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1zke h LEU 55 CO -0.00 0.27 0.35 0.28 -0.34 0.00 0.00 178.44 179.00 1zke h SER 56 N 0.52 0.55 -0.68 1.25 0.02 -0.52 -0.52 113.55 114.16 1zke h SER 56 Ca 0.22 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 1zke h SER 56 Cb 0.11 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1zke h SER 56 CO -0.14 0.37 0.16 -0.33 -1.14 0.00 0.00 176.83 175.75 1zke h GLU 57 N 0.68 1.11 -0.17 3.45 5.08 -0.88 -1.47 114.58 122.37 1zke h GLU 57 Ca 0.26 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1zke h GLU 57 Cb 0.10 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1zke h GLU 57 CO -0.14 0.98 -0.54 1.49 -1.00 0.00 0.00 179.01 179.80 1zke h GLU 58 N 1.05 0.50 -0.82 2.33 4.57 -0.66 -1.32 114.58 120.21 1zke h GLU 58 Ca 0.22 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1zke h GLU 58 Cb 0.37 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 1zke h GLU 58 CO 0.00 0.91 0.44 0.28 -1.18 0.00 0.00 179.01 179.46 1zke h VAL 59 N 0.38 1.25 -0.78 0.32 2.07 -0.87 -0.22 116.25 118.41 1zke h VAL 59 Ca 0.01 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1zke h VAL 59 Cb 1.06 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1zke h VAL 59 CO 0.10 0.28 0.32 -0.33 0.02 0.00 0.00 177.57 177.95 1zke h GLU 60 N 1.15 1.15 -0.76 1.57 4.39 -1.04 -1.74 114.58 119.31 1zke h GLU 60 Ca 0.29 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1zke h GLU 60 Cb 0.05 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 1zke h GLU 60 CO -0.04 0.93 0.46 -0.09 -1.16 0.00 0.00 179.01 179.10 1zke h ARG 61 N 1.13 1.03 -0.39 2.33 2.43 -0.66 -0.78 114.38 119.47 1zke h ARG 61 Ca 0.26 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1zke h ARG 61 Cb 0.20 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1zke h ARG 61 CO -0.02 0.73 0.21 1.25 -1.51 0.00 0.00 179.97 180.62 1zke h LEU 62 N 1.04 0.50 -0.67 3.80 5.85 -0.66 0.05 115.31 125.22 1zke h LEU 62 Ca 0.27 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1zke h LEU 62 Cb -0.04 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1zke h LEU 62 CO -0.05 0.46 0.44 0.11 -0.34 0.00 0.00 178.44 179.06 1zke h LYS 63 N 0.50 0.87 -0.23 1.25 1.57 -1.11 -1.76 116.57 117.67 1zke h LYS 63 Ca 0.14 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1zke h LYS 63 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1zke h LYS 63 CO -0.02 0.58 -0.28 0.93 -0.57 0.00 0.00 179.45 180.08 1zke h GLU 64 N 0.90 0.46 -0.46 3.15 5.08 -0.71 -0.63 114.58 122.38 1zke h GLU 64 Ca 0.25 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1zke h GLU 64 Cb -0.09 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1zke h GLU 64 CO -0.06 0.70 0.08 -0.07 -1.00 0.00 0.00 179.01 178.66 1zke h LEU 65 N 0.40 0.72 -0.51 1.33 3.38 -0.66 0.21 115.31 120.18 1zke h LEU 65 Ca 0.05 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1zke h LEU 65 Cb 0.71 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1zke h LEU 65 CO 0.05 0.80 0.04 0.40 0.09 0.00 0.00 178.44 179.82 1zke h ILE 66 N 0.62 1.26 -0.93 1.22 2.04 -1.10 -1.09 117.51 119.52 1zke h ILE 66 Ca 0.14 -1.01 0.03 0.00 1.00 0.00 0.00 64.86 65.03 1zke h ILE 66 Cb 0.38 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1zke h ILE 66 CO 0.01 0.36 0.61 -1.13 0.00 0.00 0.00 178.15 177.99 1zke h ASN 67 N 0.73 1.02 -0.60 1.72 -1.24 -0.97 -1.02 115.58 115.22 1zke h ASN 67 Ca 0.15 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.08 1zke h ASN 67 Cb 0.46 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1zke h ASN 67 CO 0.02 0.70 0.10 0.00 -1.29 0.00 0.00 177.43 176.96 1zke h ALA 68 N 1.38 0.80 -0.70 1.57 0.00 -0.60 -0.47 119.26 121.23 1zke h ALA 68 Ca 0.37 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1zke h ALA 68 Cb -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1zke h ALA 68 CO -0.12 0.56 0.46 1.25 0.00 0.00 0.00 179.25 181.40 1zke h LEU 69 N 0.90 0.79 -0.96 0.00 5.85 -0.79 -1.51 115.31 119.60 1zke h LEU 69 Ca 0.18 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1zke h LEU 69 Cb 0.42 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1zke h LEU 69 CO 0.01 0.57 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.51 1zke h ASN 70 N 0.94 0.68 -0.51 1.25 -1.24 -0.83 -1.04 115.58 114.83 1zke h ASN 70 Ca 0.26 -0.17 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 1zke h ASN 70 Cb -0.09 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.75 1zke h ASN 70 CO -0.06 0.78 0.18 0.11 -1.29 0.00 0.00 177.43 177.15 1zke h LYS 71 N 0.66 0.83 -0.59 6.67 1.57 -0.59 -1.74 116.57 123.38 1zke h LYS 71 Ca 0.12 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1zke h LYS 71 Cb 0.48 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1zke h LYS 71 CO 0.02 0.72 0.20 0.82 -0.57 0.00 0.00 179.45 180.64 1zke h ILE 72 N 0.81 1.24 -0.18 1.86 2.04 -0.71 -2.68 117.51 119.89 1zke h ILE 72 Ca 0.19 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.30 1zke h ILE 72 Cb 0.23 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1zke h ILE 72 CO -0.01 0.30 0.13 0.50 0.00 0.00 0.00 178.15 179.07 1zke h LYS 73 N 0.83 0.00 -0.15 2.37 3.64 -0.51 -0.93 116.57 121.82 1zke h LYS 73 Ca 0.19 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 1zke h LYS 73 Cb 0.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1zke h LYS 73 CO -0.01 0.00 0.16 0.87 -2.27 0.00 0.00 179.45 178.20 1zke h LYS 74 N 0.00 0.00 0.00 1.90 1.57 -0.98 0.50 116.57 119.57 1zke h LYS 74 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1zke h LYS 74 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 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 -0.35 3.86 0.00 -1.29 -2.20 103.07 103.09 1zke h GLY 75 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1zke h GLY 75 CO -0.00 0.00 -0.29 1.04 0.00 0.00 0.00 176.54 177.29 1zke n LEU 76 N -2.82 1.51 -4.77 3.11 4.77 0.16 -4.92 117.00 114.05 1zke n LEU 76 Ca 0.00 -0.49 -0.37 0.00 -0.03 0.00 0.00 56.01 55.12 1zke n LEU 76 Cb 0.22 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1zke n LEU 76 CO 0.23 0.28 0.84 -0.76 -1.33 0.00 0.00 177.39 176.64 1zke s LEU 77 N -2.41 3.97 -0.15 2.23 1.43 -0.83 -5.01 118.68 117.91 1zke s LEU 77 Ca 0.24 2.34 0.02 0.00 -1.03 0.00 0.00 54.13 55.70 1zke s LEU 77 Cb 0.19 -4.27 0.02 0.00 0.03 0.00 0.00 46.19 42.16 1zke s LEU 77 CO 0.50 -1.01 -0.19 0.54 0.23 0.00 0.00 176.35 176.42 1zke s VAL 78 N -1.54 1.93 -1.25 -1.59 0.11 -0.66 -4.61 120.40 112.79 1zke s VAL 78 Ca 0.65 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 1zke s VAL 78 Cb -0.29 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 32.82 1zke s VAL 78 CO 0.35 0.52 0.15 0.49 -3.33 0.00 0.00 175.10 173.29 1zke n PHE 79 N 4.39 -0.97 -0.96 1.54 0.99 -1.26 -2.25 117.46 118.94 1zke n PHE 79 Ca -0.20 0.13 0.00 0.00 -0.00 0.00 0.00 57.45 57.38 1zke n PHE 79 Cb 0.51 -3.31 0.00 0.00 -1.00 0.00 0.00 39.48 35.68 1zke n PHE 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1zke n GLY 80 N -1.12 0.54 0.00 1.37 0.00 -1.26 -5.30 105.19 99.42 1zke n GLY 80 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1zke n GLY 80 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06