#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zke h MET 1 N 0.00 0.21 -0.10 1.57 -1.53 -2.01 -2.08 114.93 110.99 1zke h MET 1 Ca 0.00 -0.01 -0.13 0.00 -3.44 0.00 0.00 59.70 56.12 1zke h MET 1 Cb 0.00 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 30.99 1zke h MET 1 CO 0.00 0.14 -0.51 0.74 0.14 0.00 0.00 176.91 177.42 1zke h PHE 2 N 0.21 0.34 -0.64 1.39 -1.00 -2.03 -0.51 116.94 114.71 1zke h PHE 2 Ca 0.14 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.77 1zke h PHE 2 Cb 0.14 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 1zke h PHE 2 CO -0.15 0.73 0.24 0.93 -1.61 0.00 0.00 178.31 178.45 1zke h GLU 3 N 0.22 0.96 -0.58 1.51 5.08 -1.92 -0.37 114.58 119.48 1zke h GLU 3 Ca 0.01 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1zke h GLU 3 Cb 0.97 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1zke h GLU 3 CO 0.08 0.82 0.14 0.87 -1.00 0.00 0.00 179.01 179.92 1zke h LYS 4 N 0.90 0.93 -0.21 2.33 1.57 -0.93 -2.26 116.57 118.90 1zke h LYS 4 Ca 0.21 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1zke h LYS 4 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1zke h LYS 4 CO -0.01 0.86 0.06 0.82 -0.57 0.00 0.00 179.45 180.61 1zke h ILE 5 N 0.84 1.20 -1.00 1.86 2.04 -0.90 -2.42 117.51 119.13 1zke h ILE 5 Ca 0.18 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.47 1zke h ILE 5 Cb 0.35 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 1zke h ILE 5 CO 0.00 0.21 0.64 0.03 0.00 0.00 0.00 178.15 179.03 1zke h ARG 6 N 0.16 1.09 -0.45 2.37 3.08 -0.94 0.12 114.38 119.82 1zke h ARG 6 Ca 0.07 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1zke h ARG 6 Cb 0.26 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1zke h ARG 6 CO 0.00 0.72 0.12 -0.22 -1.07 0.00 0.00 179.97 179.52 1zke h LYS 7 N 1.12 0.70 -0.83 0.04 1.63 -1.27 -1.82 116.57 116.15 1zke h LYS 7 Ca 0.45 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 60.05 1zke h LYS 7 Cb 0.25 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 1zke h LYS 7 CO -0.20 0.70 0.37 0.82 -3.45 0.00 0.00 179.45 177.69 1zke h ILE 8 N 0.59 1.26 -0.71 2.00 2.04 -0.84 -1.28 117.51 120.56 1zke h ILE 8 Ca 0.14 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1zke h ILE 8 Cb 0.30 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1zke h ILE 8 CO -0.00 0.33 0.36 -0.07 0.00 0.00 0.00 178.15 178.77 1zke h LEU 9 N 1.20 0.92 -0.84 1.44 3.38 -0.69 0.96 115.31 121.67 1zke h LEU 9 Ca 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1zke h LEU 9 Cb 0.16 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1zke h LEU 9 CO -0.03 0.78 0.43 0.00 0.09 0.00 0.00 178.44 179.70 1zke h ALA 10 N 1.18 1.07 -0.35 1.53 0.00 -1.07 -1.81 119.26 119.81 1zke h ALA 10 Ca 0.25 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1zke h ALA 10 Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1zke h ALA 10 CO -0.03 0.61 -0.29 -0.44 0.00 0.00 0.00 179.25 179.10 1zke h ASP 11 N 1.18 0.76 -0.53 0.00 3.32 -0.57 -2.13 116.42 118.45 1zke h ASP 11 Ca 0.29 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1zke h ASP 11 Cb 0.08 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1zke h ASP 11 CO -0.04 1.00 0.31 0.40 -1.72 0.00 0.00 179.24 179.19 1zke h ILE 12 N 0.63 1.17 -0.64 0.35 2.04 -0.59 0.38 117.51 120.85 1zke h ILE 12 Ca 0.08 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1zke h ILE 12 Cb 0.81 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1zke h ILE 12 CO 0.07 0.18 0.37 -0.08 0.00 0.00 0.00 178.15 178.69 1zke h GLU 13 N 0.71 0.69 -0.42 2.37 4.57 -1.11 -0.44 114.58 120.96 1zke h GLU 13 Ca 0.19 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1zke h GLU 13 Cb 0.01 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1zke h GLU 13 CO -0.03 0.46 0.15 -0.44 -1.18 0.00 0.00 179.01 177.97 1zke h ASP 14 N 0.71 0.60 -0.49 1.04 3.32 -0.97 -1.52 116.42 119.12 1zke h ASP 14 Ca 0.27 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1zke h ASP 14 Cb 0.10 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 1zke h ASP 14 CO -0.14 0.63 0.31 -1.28 -1.72 0.00 0.00 179.24 177.03 1zke h SER 15 N 0.54 0.52 -0.40 6.45 0.87 -0.55 -1.93 113.55 119.05 1zke h SER 15 Ca 0.14 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1zke h SER 15 Cb 0.23 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1zke h SER 15 CO -0.01 0.37 0.24 1.56 -0.53 0.00 0.00 176.83 178.47 1zke h GLN 16 N 0.62 0.48 -0.77 2.24 4.20 -0.86 -0.97 115.11 120.05 1zke h GLN 16 Ca 0.19 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.93 1zke h GLN 16 Cb -0.03 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.58 1zke h GLN 16 CO -0.06 0.32 0.45 -0.91 -0.67 0.00 0.00 178.83 177.96 1zke h ASN 17 N 0.49 0.69 -0.13 1.46 2.35 -1.01 0.22 115.58 119.66 1zke h ASN 17 Ca 0.15 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1zke h ASN 17 Cb -0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1zke h ASN 17 CO -0.06 0.44 0.05 -0.33 -1.65 0.00 0.00 177.43 175.87 1zke h GLU 18 N 0.82 0.20 -0.82 0.81 4.39 -0.92 -2.18 114.58 116.89 1zke h GLU 18 Ca 0.35 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.02 1zke h GLU 18 Cb 0.21 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1zke h GLU 18 CO -0.19 0.32 0.54 0.82 -1.16 0.00 0.00 179.01 179.34 1zke h ILE 19 N 0.04 1.20 -0.70 3.13 2.04 -0.90 -1.34 117.51 120.99 1zke h ILE 19 Ca 0.04 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.54 1zke h ILE 19 Cb 0.20 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 1zke h ILE 19 CO -0.00 0.20 0.45 -0.33 0.00 0.00 0.00 178.15 178.47 1zke h GLU 20 N 1.10 0.88 -0.39 2.37 5.08 -0.76 0.14 114.58 122.99 1zke h GLU 20 Ca 0.30 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1zke h GLU 20 Cb -0.11 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 1zke h GLU 20 CO -0.07 0.58 0.04 1.98 -1.00 0.00 0.00 179.01 180.54 1zke h MET 21 N 0.90 0.67 -0.44 2.33 4.05 -0.98 -1.29 114.93 120.17 1zke h MET 21 Ca 0.27 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1zke h MET 21 Cb -0.05 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 1zke h MET 21 CO -0.08 0.73 0.29 -0.07 0.23 0.00 0.00 176.91 178.01 1zke h LEU 22 N 0.51 0.51 -0.78 3.39 3.38 -0.77 -0.70 115.31 120.86 1zke h LEU 22 Ca 0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1zke h LEU 22 Cb 0.40 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1zke h LEU 22 CO 0.01 0.38 0.19 -0.07 0.09 0.00 0.00 178.44 179.04 1zke h LEU 23 N 0.60 1.04 -0.07 1.67 3.38 -0.90 0.20 115.31 121.23 1zke h LEU 23 Ca 0.16 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1zke h LEU 23 Cb -0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1zke h LEU 23 CO -0.03 0.99 -0.05 0.50 0.09 0.00 0.00 178.44 179.94 1zke h LYS 24 N 1.06 -0.05 -0.11 1.13 3.64 -0.94 0.30 116.57 121.59 1zke h LYS 24 Ca 0.22 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.48 1zke h LYS 24 Cb 0.35 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1zke h LYS 24 CO -0.00 -0.03 -0.48 -0.07 -2.27 0.00 0.00 179.45 176.60 1zke h LEU 25 N -0.05 0.31 0.00 5.20 3.38 -0.61 -2.38 115.31 121.17 1zke h LEU 25 Ca 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1zke h LEU 25 Cb 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1zke h LEU 25 CO -0.10 0.75 -0.01 0.00 0.09 0.00 0.00 178.44 179.16 1zke h ALA 26 N 1.27 0.99 -4.97 1.53 0.00 -0.81 -3.48 119.26 113.79 1zke h ALA 26 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1zke h ALA 26 Cb 0.93 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.86 1zke h ALA 26 CO 0.08 0.00 -0.62 -1.71 0.00 0.00 0.00 179.25 176.99 1zke n ASN 27 N -2.94 -2.26 -3.98 0.00 5.15 0.07 -4.59 115.26 106.71 1zke n ASN 27 Ca 0.04 -0.50 -0.09 0.00 -0.60 0.00 0.00 54.58 53.43 1zke n ASN 27 Cb 0.51 -4.26 -0.08 0.00 -0.53 0.00 0.00 39.78 35.42 1zke n ASN 27 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 1zke s LEU 28 N -5.59 1.24 0.61 1.20 0.05 -1.10 -4.98 118.68 110.12 1zke s LEU 28 Ca 0.03 -0.90 -0.08 0.00 0.05 0.00 0.00 54.13 53.23 1zke s LEU 28 Cb -0.01 0.97 -0.00 0.00 -2.05 0.00 0.00 46.19 45.09 1zke s LEU 28 CO 0.59 -0.82 0.95 -0.94 -0.55 0.00 0.00 176.35 175.58 1zke s SER 29 N -2.96 5.73 0.21 1.48 1.04 -1.26 -4.63 113.70 113.31 1zke s SER 29 Ca 0.16 0.95 -0.09 0.00 0.48 0.00 0.00 55.95 57.45 1zke s SER 29 Cb 0.04 -1.94 0.17 0.00 0.10 0.00 0.00 66.02 64.39 1zke s SER 29 CO -0.02 -1.05 1.85 0.25 0.98 0.00 0.00 173.24 175.26 1zke h LEU 30 N -0.27 0.97 -0.95 2.42 5.85 -1.98 -1.14 115.31 120.22 1zke h LEU 30 Ca -0.45 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1zke h LEU 30 Cb 1.24 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1zke h LEU 30 CO 0.62 0.76 0.39 1.23 -0.34 0.00 0.00 178.44 181.10 1zke h GLY 31 N 1.10 1.22 0.84 3.75 0.00 -1.99 -0.89 103.07 107.11 1zke h GLY 31 Ca 0.29 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 47.03 1zke h GLY 31 CO -0.05 0.57 -0.07 -0.55 0.00 0.00 0.00 176.54 176.44 1zke h ASP 32 N 1.14 -0.19 -0.43 0.19 3.32 -1.80 -0.85 116.42 117.79 1zke h ASP 32 Ca 0.28 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.43 1zke h ASP 32 Cb 0.10 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 1zke h ASP 32 CO -0.04 -0.10 0.06 0.15 -1.72 0.00 0.00 179.24 177.59 1zke h PHE 33 N -0.13 0.10 -0.70 4.55 3.57 -0.76 -0.27 116.94 123.30 1zke h PHE 33 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1zke h PHE 33 Cb 0.16 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1zke h PHE 33 CO -0.13 -0.02 0.30 0.82 -2.23 0.00 0.00 178.31 177.05 1zke h ILE 34 N 0.19 1.24 -0.18 1.41 1.08 -0.89 -1.00 117.51 119.35 1zke h ILE 34 Ca 0.21 -0.73 -0.09 0.00 -0.39 0.00 0.00 64.86 63.86 1zke h ILE 34 Cb 0.28 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 1zke h ILE 34 CO -0.30 0.30 -0.28 -0.33 -0.69 0.00 0.00 178.15 176.85 1zke h GLU 35 N 0.99 0.34 -0.31 2.37 4.39 -0.67 -0.35 114.58 121.33 1zke h GLU 35 Ca 0.24 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1zke h GLU 35 Cb 0.18 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1zke h GLU 35 CO -0.02 0.59 -0.05 0.82 -1.16 0.00 0.00 179.01 179.19 1zke h ILE 36 N 0.30 1.27 -0.08 3.13 2.04 -0.61 -0.93 117.51 122.63 1zke h ILE 36 Ca 0.04 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1zke h ILE 36 Cb 0.65 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1zke h ILE 36 CO 0.05 0.34 0.00 0.11 0.00 0.00 0.00 178.15 178.65 1zke h LYS 37 N 0.36 0.11 -0.00 2.37 1.79 -0.81 -1.69 116.57 118.70 1zke h LYS 37 Ca 0.08 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1zke h LYS 37 Cb 0.53 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1zke h LYS 37 CO 0.03 0.13 -0.09 0.54 -1.08 0.00 0.00 179.45 178.97 1zke n ARG 38 N -4.47 0.46 -0.94 3.15 1.74 -0.18 -4.92 116.66 111.51 1zke n ARG 38 Ca -0.02 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1zke n ARG 38 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1zke n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zke n GLY 39 N 1.33 0.81 0.10 -0.13 0.00 -0.64 -4.92 105.19 101.74 1zke n GLY 39 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 1zke n GLY 39 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1zke h SER 40 N 0.00 0.00 -3.52 1.61 4.64 -1.42 -3.45 113.55 111.41 1zke h SER 40 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1zke h SER 40 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 1zke h SER 40 CO 0.00 0.74 -0.76 -0.32 -0.87 0.00 0.00 176.83 175.62 1zke s MET 41 N -2.82 3.14 0.58 4.77 0.00 -1.03 -5.00 119.30 118.94 1zke s MET 41 Ca -0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 55.69 54.82 1zke s MET 41 Cb 0.09 -2.58 -0.04 0.00 0.00 0.00 0.00 34.83 32.30 1zke s MET 41 CO 0.80 0.35 1.28 -0.51 0.00 0.00 0.00 175.02 176.93 1zke s ASP 42 N 0.01 5.17 0.03 1.11 1.01 -1.26 -4.29 116.67 118.45 1zke s ASP 42 Ca -0.04 2.58 -0.30 0.00 0.71 0.00 0.00 52.55 55.50 1zke s ASP 42 Cb -0.14 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.09 1zke s ASP 42 CO 0.04 -1.62 1.84 -0.32 0.21 0.00 0.00 175.17 175.32 1zke s MET 43 N -3.12 4.16 0.44 8.23 -2.45 -1.26 -4.92 119.30 120.37 1zke s MET 43 Ca 0.75 2.48 -0.26 0.00 -1.25 0.00 0.00 55.69 57.41 1zke s MET 43 Cb -0.36 -3.98 -0.09 0.00 1.25 0.00 0.00 34.83 31.65 1zke s MET 43 CO 0.40 -0.89 1.44 -2.30 1.05 0.00 0.00 175.02 174.72 1zke n PRO 44 N 6.99 2.32 -0.35 4.11 -0.02 -1.26 -4.90 135.00 141.89 1zke n PRO 44 Ca 0.19 0.82 0.11 0.00 -2.02 0.00 0.00 63.50 62.60 1zke n PRO 44 Cb 0.41 -2.63 0.30 0.00 -0.02 0.00 0.00 33.50 31.56 1zke n PRO 44 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1zke h LYS 45 N 2.40 0.82 -0.11 -0.52 2.10 -2.05 -2.26 116.57 116.96 1zke h LYS 45 Ca -0.51 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.09 1zke h LYS 45 Cb 1.27 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1zke h LYS 45 CO 0.61 0.54 0.00 0.41 -2.00 0.00 0.00 179.45 179.02 1zke n GLY 46 N -1.35 -0.04 3.71 0.07 0.00 -1.26 -4.85 105.19 101.46 1zke n GLY 46 Ca 0.21 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.87 4.89 -0.49 1.61 1.01 -0.85 -5.03 120.40 119.66 1zke s VAL 47 Ca 0.33 -0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 1zke s VAL 47 Cb 0.17 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1zke s VAL 47 CO 0.27 0.53 0.97 0.21 0.00 0.00 0.00 175.10 177.08 1zke s ASN 48 N -0.22 6.48 0.44 3.32 2.47 -1.26 -4.82 114.94 121.35 1zke s ASN 48 Ca 0.08 0.05 0.30 0.00 0.42 0.00 0.00 52.86 53.72 1zke s ASN 48 Cb -0.12 -2.46 1.56 0.00 -1.45 0.00 0.00 41.25 38.77 1zke s ASN 48 CO 0.01 -1.14 1.92 1.05 -3.72 0.00 0.00 177.10 175.22 1zke h GLU 49 N 9.18 0.00 -0.08 0.43 9.09 -1.97 -2.26 114.58 128.97 1zke h GLU 49 Ca -0.24 0.00 0.02 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 28.17 1zke h GLU 49 CO 1.06 0.00 0.07 0.00 0.05 0.00 0.00 179.01 180.19 1zke h ALA 50 N 2.03 1.80 0.00 1.06 0.00 -2.04 -0.11 119.26 122.00 1zke h ALA 50 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1zke h ALA 50 Cb 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1zke h ALA 50 CO 0.00 -0.11 -0.04 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 -1.83 -3.22 116.94 111.92 1zke h PHE 51 Ca 0.04 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 1zke h PHE 51 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1zke h PHE 51 CO 0.00 0.04 -0.24 0.74 -0.60 0.00 0.00 178.31 178.25 1zke h PHE 52 N 0.00 0.00 0.67 -0.55 -1.00 -1.22 -1.61 116.94 113.23 1zke h PHE 52 Ca -0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1zke h PHE 52 Cb 0.19 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.75 1zke h PHE 52 CO 0.00 0.24 -0.32 1.15 -1.61 0.00 0.00 178.31 177.77 1zke h THR 53 N 0.00 0.30 -0.39 -1.55 2.02 -1.74 -0.03 112.91 111.52 1zke h THR 53 Ca -0.00 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 66.94 1zke h THR 53 Cb 0.55 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1zke h THR 53 CO 0.03 0.01 -0.26 -0.61 0.37 0.00 0.00 175.52 175.07 1zke h GLN 54 N -0.98 0.82 -0.66 6.66 5.75 -1.77 -2.11 115.11 122.82 1zke h GLN 54 Ca -0.09 -0.35 0.02 0.00 -0.15 0.00 0.00 58.65 58.07 1zke h GLN 54 Cb 0.71 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 1zke h GLN 54 CO 0.15 0.98 0.42 -0.07 -2.65 0.00 0.00 178.83 177.66 1zke h LEU 55 N 0.70 0.70 -0.42 -2.39 3.38 -1.28 -0.39 115.31 115.61 1zke h LEU 55 Ca 0.09 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1zke h LEU 55 Cb 0.79 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1zke h LEU 55 CO 0.07 0.50 0.19 0.28 0.09 0.00 0.00 178.44 179.56 1zke h SER 56 N 0.83 0.56 -0.68 -0.43 0.02 -0.83 0.00 113.55 113.03 1zke h SER 56 Ca 0.25 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1zke h SER 56 Cb -0.03 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1zke h SER 56 CO -0.08 0.55 0.43 -0.33 -1.14 0.00 0.00 176.83 176.26 1zke h GLU 57 N 0.54 0.91 -0.28 3.45 5.08 -1.03 -0.34 114.58 122.92 1zke h GLU 57 Ca 0.14 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.25 1zke h GLU 57 Cb 0.14 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1zke h GLU 57 CO -0.02 0.63 -0.57 1.49 -1.00 0.00 0.00 179.01 179.55 1zke h GLU 58 N 0.93 0.86 -0.73 2.33 4.57 -0.84 -1.20 114.58 120.50 1zke h GLU 58 Ca 0.25 -0.56 -0.06 0.00 -1.18 0.00 0.00 59.36 57.81 1zke h GLU 58 Cb -0.07 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1zke h GLU 58 CO -0.05 1.19 0.21 0.28 -1.18 0.00 0.00 179.01 179.46 1zke h VAL 59 N 0.65 1.26 -0.85 0.32 2.07 -0.84 -0.88 116.25 117.98 1zke h VAL 59 Ca 0.01 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1zke h VAL 59 Cb 1.17 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1zke h VAL 59 CO 0.12 0.36 0.46 -0.33 0.02 0.00 0.00 177.57 178.21 1zke h GLU 60 N 1.10 1.19 -0.50 1.57 4.39 -0.92 -0.81 114.58 120.60 1zke h GLU 60 Ca 0.23 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1zke h GLU 60 Cb 0.33 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1zke h GLU 60 CO -0.00 0.88 0.31 -0.09 -1.16 0.00 0.00 179.01 178.94 1zke h ARG 61 N 1.19 0.68 -0.29 2.33 2.43 -0.77 -0.36 114.38 119.58 1zke h ARG 61 Ca 0.30 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1zke h ARG 61 Cb 0.04 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1zke h ARG 61 CO -0.05 0.49 0.19 1.25 -1.51 0.00 0.00 179.97 180.34 1zke h LEU 62 N 0.67 0.33 -0.58 3.80 5.85 -0.81 -0.40 115.31 124.17 1zke h LEU 62 Ca 0.18 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1zke h LEU 62 Cb -0.02 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1zke h LEU 62 CO -0.03 0.24 0.30 0.11 -0.34 0.00 0.00 178.44 178.71 1zke h LYS 63 N 0.39 0.54 -0.56 1.25 1.57 -0.99 -2.14 116.57 116.63 1zke h LYS 63 Ca 0.11 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1zke h LYS 63 Cb -0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1zke h LYS 63 CO -0.02 0.36 0.11 0.93 -0.57 0.00 0.00 179.45 180.26 1zke h GLU 64 N 0.56 0.88 -0.36 3.15 5.08 -0.55 -0.46 114.58 122.87 1zke h GLU 64 Ca 0.26 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1zke h GLU 64 Cb 0.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1zke h GLU 64 CO -0.19 0.80 0.10 -0.07 -1.00 0.00 0.00 179.01 178.66 1zke h LEU 65 N 0.84 0.53 -0.72 1.33 3.38 -0.80 0.28 115.31 120.14 1zke h LEU 65 Ca 0.18 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1zke h LEU 65 Cb 0.34 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1zke h LEU 65 CO 0.00 0.61 0.14 0.40 0.09 0.00 0.00 178.44 179.68 1zke h ILE 66 N 0.42 1.26 -0.84 1.22 2.04 -1.17 -1.96 117.51 118.49 1zke h ILE 66 Ca 0.11 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.97 1zke h ILE 66 Cb 0.28 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1zke h ILE 66 CO -0.00 0.38 0.56 0.78 0.00 0.00 0.00 178.15 179.87 1zke h ASN 67 N 1.05 0.96 -0.84 1.72 2.35 -0.88 -0.44 115.58 119.50 1zke h ASN 67 Ca 0.21 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.97 1zke h ASN 67 Cb 0.41 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 1zke h ASN 67 CO 0.01 0.70 0.54 0.00 -1.65 0.00 0.00 177.43 177.03 1zke h ALA 68 N 1.31 1.11 -0.50 -0.83 0.00 -0.53 -0.24 119.26 119.59 1zke h ALA 68 Ca 0.31 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1zke h ALA 68 Cb -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 1zke h ALA 68 CO -0.07 0.38 -0.04 1.25 0.00 0.00 0.00 179.25 180.77 1zke h LEU 69 N 1.06 0.90 -1.21 0.00 5.85 -0.87 -1.51 115.31 119.54 1zke h LEU 69 Ca 0.34 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1zke h LEU 69 Cb -0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1zke h LEU 69 CO -0.11 1.01 -0.10 -1.13 -0.34 0.00 0.00 178.44 177.77 1zke h ASN 70 N 0.77 0.40 -0.35 1.25 -1.24 -0.63 -1.41 115.58 114.37 1zke h ASN 70 Ca 0.14 -0.09 -0.12 0.00 0.71 0.00 0.00 56.30 56.93 1zke h ASN 70 Cb 0.58 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1zke h ASN 70 CO 0.03 0.55 -0.26 0.50 -1.29 0.00 0.00 177.43 176.96 1zke h LYS 71 N 0.40 0.80 -0.92 6.67 3.64 -0.71 -2.88 116.57 123.57 1zke h LYS 71 Ca 0.08 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1zke h LYS 71 Cb 0.42 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1zke h LYS 71 CO 0.02 1.02 0.54 0.82 -2.27 0.00 0.00 179.45 179.58 1zke h ILE 72 N 0.59 1.26 -0.01 2.00 2.04 -0.93 -2.37 117.51 120.08 1zke h ILE 72 Ca 0.07 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1zke h ILE 72 Cb 0.83 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1zke h ILE 72 CO 0.07 0.28 0.01 0.50 0.00 0.00 0.00 178.15 179.01 1zke h LYS 73 N 1.28 0.00 -0.04 2.37 3.64 -1.05 -1.15 116.57 121.62 1zke h LYS 73 Ca 0.33 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1zke h LYS 73 Cb -0.02 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1zke h LYS 73 CO -0.06 0.00 0.04 -0.22 -2.27 0.00 0.00 179.45 176.94 1zke h LYS 74 N 0.00 0.00 0.00 1.90 3.64 -1.30 -0.81 116.57 119.99 1zke h LYS 74 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zke h LYS 74 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 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 -1.36 -0.89 1.03 5.01 0.00 -0.44 -2.33 105.19 106.22 1zke n GLY 75 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.45 3.21 -4.77 0.99 4.77 -0.31 -4.98 117.00 114.46 1zke n LEU 76 Ca 0.04 -1.34 -0.40 0.00 -0.03 0.00 0.00 56.01 54.28 1zke n LEU 76 Cb 0.14 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1zke n LEU 76 CO 0.12 0.65 1.00 -0.76 -1.33 0.00 0.00 177.39 177.06 1zke s LEU 77 N -1.57 4.27 -0.06 2.23 1.43 -0.98 -4.99 118.68 119.00 1zke s LEU 77 Ca 0.33 2.74 0.01 0.00 -1.03 0.00 0.00 54.13 56.18 1zke s LEU 77 Cb 0.21 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.63 1zke s LEU 77 CO 0.29 -0.81 -0.07 -0.69 0.23 0.00 0.00 176.35 175.31 1zke s VAL 78 N -1.21 0.75 -1.80 -1.59 1.01 -0.01 -4.72 120.40 112.83 1zke s VAL 78 Ca 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1zke s VAL 78 Cb -0.40 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1zke s VAL 78 CO 0.52 0.28 0.00 0.49 0.00 0.00 0.00 175.10 176.40 1zke n PHE 79 N 4.19 -0.55 -1.00 5.22 3.72 -1.26 -1.34 117.46 126.44 1zke n PHE 79 Ca -0.21 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1zke n PHE 79 Cb 0.51 -3.39 -0.00 0.00 -0.94 0.00 0.00 39.48 35.66 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 -0.61 0.47 0.00 1.37 0.00 -1.26 -5.33 105.19 99.84 1zke n GLY 80 Ca -0.20 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1zke n GLY 80 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76