#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kzw n PHE 2 N 0.00 -0.13 -4.27 0.00 3.72 -1.26 -4.99 117.46 110.53 1kzw n PHE 2 Ca 0.00 0.02 -0.33 0.00 -0.05 0.00 0.00 57.45 57.10 1kzw n PHE 2 Cb 0.00 0.06 -0.08 0.00 -0.94 0.00 0.00 39.48 38.52 1kzw n PHE 2 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1kzw n ASP 3 N -3.22 0.27 -3.71 4.37 2.03 -1.26 -4.90 116.55 110.12 1kzw n ASP 3 Ca 0.00 -1.26 -0.04 0.00 0.52 0.00 0.00 54.79 54.00 1kzw n ASP 3 Cb 0.23 -1.70 -0.01 0.00 -0.72 0.00 0.00 41.12 38.92 1kzw n ASP 3 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1kzw s SER 4 N -4.29 -0.17 -0.03 1.67 1.04 -0.85 -4.88 113.70 106.19 1kzw s SER 4 Ca 0.06 -0.49 -0.20 0.00 0.48 0.00 0.00 55.95 55.80 1kzw s SER 4 Cb -0.03 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1kzw s SER 4 CO 0.99 -1.02 0.57 -0.89 0.98 0.00 0.00 173.24 173.88 1kzw s THR 5 N -3.27 4.98 -0.20 2.02 2.01 -1.26 -1.20 115.64 118.71 1kzw s THR 5 Ca 0.13 1.19 -0.04 0.00 0.31 0.00 0.00 61.69 63.28 1kzw s THR 5 Cb -0.02 -3.91 0.07 0.00 0.01 0.00 0.00 72.50 68.65 1kzw s THR 5 CO 0.04 0.40 0.08 0.26 -0.69 0.00 0.00 174.62 174.71 1kzw s TRP 6 N -0.01 0.48 -0.14 4.92 0.52 -0.52 -0.41 118.94 123.78 1kzw s TRP 6 Ca 0.30 -0.60 -0.12 0.00 0.02 0.00 0.00 56.10 55.70 1kzw s TRP 6 Cb -0.18 -0.85 -0.05 0.00 -1.15 0.00 0.00 33.47 31.25 1kzw s TRP 6 CO 0.16 -0.61 0.25 0.21 0.02 0.00 0.00 176.95 176.98 1kzw s LYS 7 N 2.04 4.05 -0.05 4.98 2.47 -0.13 -0.63 119.74 132.48 1kzw s LYS 7 Ca 0.03 0.03 -0.30 0.00 -1.56 0.00 0.00 55.97 54.18 1kzw s LYS 7 Cb -0.16 -3.35 -0.07 0.00 -1.46 0.00 0.00 37.83 32.78 1kzw s LYS 7 CO -0.14 0.41 1.91 0.54 0.16 0.00 0.00 175.35 178.23 1kzw s VAL 8 N -0.03 3.19 -0.24 4.02 0.11 -0.43 -0.47 120.40 126.56 1kzw s VAL 8 Ca 0.15 0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 59.37 1kzw s VAL 8 Cb -0.13 -3.16 -0.13 0.00 -1.53 0.00 0.00 36.38 31.43 1kzw s VAL 8 CO 0.04 -0.04 -0.26 -0.67 -3.33 0.00 0.00 175.10 170.83 1kzw n ASP 9 N 8.21 1.97 -3.68 3.54 2.03 -0.03 -4.88 116.55 123.71 1kzw n ASP 9 Ca 0.21 0.09 -0.10 0.00 0.52 0.00 0.00 54.79 55.51 1kzw n ASP 9 Cb 0.42 -0.55 -0.05 0.00 -0.72 0.00 0.00 41.12 40.22 1kzw n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kzw s ARG 10 N -2.46 1.06 -0.06 -0.67 1.70 -1.15 -5.04 118.95 112.33 1kzw s ARG 10 Ca -0.33 -0.77 -0.09 0.00 -0.47 0.00 0.00 55.73 54.07 1kzw s ARG 10 Cb 0.11 0.45 0.02 0.00 -0.57 0.00 0.00 34.95 34.96 1kzw s ARG 10 CO 0.48 -0.41 0.23 -1.54 -1.08 0.00 0.00 175.30 172.99 1kzw s SER 11 N -2.82 -0.18 -0.17 -2.89 1.04 -1.26 -0.73 113.70 106.69 1kzw s SER 11 Ca 0.04 0.27 -0.22 0.00 0.48 0.00 0.00 55.95 56.52 1kzw s SER 11 Cb 0.02 0.40 -0.19 0.00 0.10 0.00 0.00 66.02 66.35 1kzw s SER 11 CO -0.11 -0.20 0.37 -0.33 0.98 0.00 0.00 173.24 173.94 1kzw h GLU 12 N 5.14 0.00 -1.40 4.02 5.08 -1.33 -3.44 114.58 122.65 1kzw h GLU 12 Ca -0.27 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.66 1kzw h GLU 12 Cb 1.19 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.04 1kzw h GLU 12 CO 0.37 0.86 -1.15 -1.71 -1.00 0.00 0.00 179.01 176.39 1kzw n ASN 13 N -4.53 1.58 -3.53 1.42 5.15 -1.26 -4.95 115.26 109.14 1kzw n ASN 13 Ca -0.20 -2.91 -0.40 0.00 -0.60 0.00 0.00 54.58 50.46 1kzw n ASN 13 Cb 0.54 -0.56 -0.01 0.00 -0.53 0.00 0.00 39.78 39.22 1kzw n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kzw n TYR 14 N 0.01 2.80 0.16 1.20 9.36 -1.26 -3.62 117.16 125.81 1kzw n TYR 14 Ca 0.17 -2.96 0.00 0.00 3.32 0.00 0.00 57.90 58.42 1kzw n TYR 14 Cb 0.74 -2.29 0.00 0.00 -0.63 0.00 0.00 39.34 37.16 1kzw n TYR 14 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1kzw n ASP 15 N 3.82 -2.80 0.10 2.98 5.75 -1.26 -4.50 116.55 120.64 1kzw n ASP 15 Ca 0.63 0.67 0.00 0.00 -0.01 0.00 0.00 54.79 56.09 1kzw n ASP 15 Cb 0.29 2.75 -0.02 0.00 -1.03 0.00 0.00 41.12 43.11 1kzw n ASP 15 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1kzw h LYS 16 N 0.00 0.00 -0.14 0.11 1.79 -1.99 -1.18 116.57 115.15 1kzw h LYS 16 Ca 0.00 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 1kzw h LYS 16 Cb 0.00 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 1kzw h LYS 16 CO 0.00 0.55 -0.29 0.35 -1.08 0.00 0.00 179.45 178.98 1kzw h PHE 17 N 0.00 -0.79 -0.53 -1.35 3.57 -1.87 0.33 116.94 116.30 1kzw h PHE 17 Ca -0.04 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1kzw h PHE 17 Cb 1.50 0.37 -0.08 0.00 2.79 0.00 0.00 35.95 40.52 1kzw h PHE 17 CO 0.00 -0.37 0.04 0.52 -2.23 0.00 0.00 178.31 176.27 1kzw h MET 18 N -0.36 0.16 -0.55 1.11 2.86 -1.83 -1.23 114.93 115.09 1kzw h MET 18 Ca 0.10 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1kzw h MET 18 Cb 0.51 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1kzw h MET 18 CO -0.34 0.11 -0.02 1.49 1.06 0.00 0.00 176.91 179.21 1kzw h GLU 19 N 0.16 0.97 -0.96 1.72 4.57 -1.19 -0.88 114.58 118.97 1kzw h GLU 19 Ca 0.27 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1kzw h GLU 19 Cb 0.40 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.85 1kzw h GLU 19 CO -0.41 0.96 0.63 -0.22 -1.18 0.00 0.00 179.01 178.80 1kzw h LYS 20 N 0.89 1.27 0.26 1.92 1.63 -0.77 -3.10 116.57 118.66 1kzw h LYS 20 Ca 0.16 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1kzw h LYS 20 Cb 0.54 -0.28 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1kzw h LYS 20 CO 0.03 0.85 -0.12 0.52 -3.45 0.00 0.00 179.45 177.27 1kzw h MET 21 N 1.31 -0.33 0.00 1.90 2.86 -1.22 -3.49 114.93 115.96 1kzw h MET 21 Ca 0.35 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 1kzw h MET 21 Cb -0.14 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1kzw h MET 21 CO -0.07 -0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.18 1kzw n GLY 22 N -0.87 -0.17 3.81 8.32 0.00 -0.39 -5.09 105.19 110.79 1kzw n GLY 22 Ca -0.10 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 1kzw n GLY 22 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kzw s VAL 23 N 0.00 4.81 0.90 1.61 -7.23 -0.86 -4.96 120.40 114.68 1kzw s VAL 23 Ca 0.00 -0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 59.55 1kzw s VAL 23 Cb 0.00 -3.26 0.13 0.00 0.56 0.00 0.00 36.38 33.82 1kzw s VAL 23 CO 0.00 0.25 1.12 0.54 -0.31 0.00 0.00 175.10 176.71 1kzw s ASN 24 N -2.05 3.56 0.22 4.85 2.20 -1.26 -4.70 114.94 117.75 1kzw s ASN 24 Ca 0.27 1.05 -0.08 0.00 -0.94 0.00 0.00 52.86 53.16 1kzw s ASN 24 Cb -0.12 -1.67 0.32 0.00 -2.00 0.00 0.00 41.25 37.78 1kzw s ASN 24 CO 0.19 -2.53 1.77 -0.29 -2.94 0.00 0.00 177.10 173.30 1kzw h ILE 25 N -1.48 0.84 -0.10 0.54 -0.00 -2.00 -0.18 117.51 115.12 1kzw h ILE 25 Ca -0.50 -0.19 -0.01 0.00 -0.00 0.00 0.00 64.86 64.15 1kzw h ILE 25 Cb 1.32 0.22 -0.00 0.00 -0.00 0.00 0.00 36.82 38.36 1kzw h ILE 25 CO 0.61 0.10 0.02 0.58 -0.00 0.00 0.00 178.15 179.47 1kzw h VAL 26 N 0.57 1.19 -0.99 2.19 2.07 -1.99 -1.54 116.25 117.74 1kzw h VAL 26 Ca 0.34 -0.59 0.13 0.00 0.82 0.00 0.00 66.70 67.40 1kzw h VAL 26 Cb 0.36 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 1kzw h VAL 26 CO -0.27 0.17 0.63 0.11 0.02 0.00 0.00 177.57 178.22 1kzw h LYS 27 N -0.05 0.93 -0.36 1.57 1.79 -1.91 0.69 116.57 119.23 1kzw h LYS 27 Ca 0.03 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1kzw h LYS 27 Cb 0.24 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.67 1kzw h LYS 27 CO 0.00 0.61 0.21 0.00 -1.08 0.00 0.00 179.45 179.19 1kzw h ARG 28 N 0.95 0.50 -0.14 3.15 3.08 -0.93 0.63 114.38 121.62 1kzw h ARG 28 Ca 0.50 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.50 1kzw h ARG 28 Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1kzw h ARG 28 CO -0.27 0.39 0.08 0.87 -1.07 0.00 0.00 179.97 179.97 1kzw h LYS 29 N 0.47 0.16 -0.99 0.04 1.79 -1.08 -2.11 116.57 114.84 1kzw h LYS 29 Ca 0.13 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.65 1kzw h LYS 29 Cb 0.02 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.57 1kzw h LYS 29 CO -0.02 0.10 0.64 -0.07 -1.08 0.00 0.00 179.45 179.02 1kzw h LEU 30 N 0.16 1.03 0.42 2.94 3.38 -0.87 -1.69 115.31 120.67 1kzw h LEU 30 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1kzw h LEU 30 Cb -0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1kzw h LEU 30 CO -0.03 0.66 -0.20 0.00 0.09 0.00 0.00 178.44 178.96 1kzw h ALA 31 N 1.46 -0.56 -1.00 1.53 0.00 -0.84 -1.45 119.26 118.41 1kzw h ALA 31 Ca 0.42 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.42 1kzw h ALA 31 Cb 0.16 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 1kzw h ALA 31 CO -0.17 -0.79 0.62 0.00 0.00 0.00 0.00 179.25 178.92 1kzw h ALA 32 N -0.04 1.93 -0.44 0.00 0.00 -1.35 -2.39 119.26 116.97 1kzw h ALA 32 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kzw h ALA 32 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1kzw h ALA 32 CO 0.09 -0.31 0.00 0.72 0.00 0.00 0.00 179.25 179.75 1kzw n HIS 33 N -4.70 1.59 0.20 0.00 -0.00 -0.64 -4.75 115.22 106.92 1kzw n HIS 33 Ca 0.24 -0.55 0.08 0.00 -0.00 0.00 0.00 57.72 57.48 1kzw n HIS 33 Cb 0.70 -0.41 0.36 0.00 -0.00 0.00 0.00 29.99 30.64 1kzw n HIS 33 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 1kzw h ASP 34 N 3.06 0.00 -5.76 0.41 3.04 -0.71 -3.45 116.42 113.00 1kzw h ASP 34 Ca 0.00 0.00 -0.34 0.00 -3.24 0.00 0.00 57.03 53.45 1kzw h ASP 34 Cb 1.63 0.00 0.14 0.00 -1.04 0.00 0.00 39.33 40.06 1kzw h ASP 34 CO 0.38 0.29 -0.84 0.59 -2.04 0.00 0.00 179.24 177.62 1kzw n ASN 35 N -3.40 -3.89 -4.67 4.15 3.02 -1.26 -0.57 115.26 108.63 1kzw n ASN 35 Ca 0.00 -0.75 -0.43 0.00 -0.03 0.00 0.00 54.58 53.37 1kzw n ASN 35 Cb 0.49 -4.67 -0.02 0.00 -0.61 0.00 0.00 39.78 34.97 1kzw n ASN 35 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1kzw s LEU 36 N -6.11 4.17 -0.41 3.41 2.96 -1.26 -4.34 118.68 117.10 1kzw s LEU 36 Ca 0.23 1.47 -0.10 0.00 -0.22 0.00 0.00 54.13 55.50 1kzw s LEU 36 Cb -0.04 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.16 1kzw s LEU 36 CO 0.77 -0.57 0.26 -0.75 -1.32 0.00 0.00 176.35 174.74 1kzw s LYS 37 N 2.66 2.70 -0.73 1.98 2.20 0.22 -1.31 119.74 127.45 1kzw s LYS 37 Ca 0.46 -1.35 -0.27 0.00 -0.36 0.00 0.00 55.97 54.45 1kzw s LYS 37 Cb -0.17 -3.80 0.03 0.00 -1.51 0.00 0.00 37.83 32.38 1kzw s LYS 37 CO 0.12 -0.90 1.31 -0.51 -0.36 0.00 0.00 175.35 175.01 1kzw s LEU 38 N 1.48 3.17 -0.61 5.43 1.43 0.20 -2.02 118.68 127.76 1kzw s LEU 38 Ca 0.03 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 1kzw s LEU 38 Cb -0.22 -2.57 0.15 0.00 0.03 0.00 0.00 46.19 43.58 1kzw s LEU 38 CO 0.04 -1.87 0.54 -0.89 0.23 0.00 0.00 176.35 174.40 1kzw s THR 39 N 5.93 5.04 -0.13 5.49 2.01 -0.28 -1.44 115.64 132.26 1kzw s THR 39 Ca 0.37 -1.90 -0.14 0.00 0.31 0.00 0.00 61.69 60.33 1kzw s THR 39 Cb -0.08 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1kzw s THR 39 CO 0.16 -0.89 0.33 -0.63 -0.69 0.00 0.00 174.62 172.89 1kzw s ILE 40 N 1.08 5.27 -0.19 1.82 1.01 -0.34 -1.02 121.20 128.82 1kzw s ILE 40 Ca 0.08 0.63 -0.05 0.00 0.00 0.00 0.00 60.65 61.31 1kzw s ILE 40 Cb -0.23 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 38.65 1kzw s ILE 40 CO -0.01 0.41 0.12 -0.89 0.00 0.00 0.00 174.94 174.57 1kzw s THR 41 N 0.23 -0.13 -0.12 2.92 2.01 -0.34 -2.01 115.64 118.19 1kzw s THR 41 Ca 0.19 -0.23 -0.07 0.00 0.31 0.00 0.00 61.69 61.88 1kzw s THR 41 Cb -0.14 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1kzw s THR 41 CO 0.06 -0.33 0.13 0.00 -0.69 0.00 0.00 174.62 173.79 1kzw s GLN 42 N 2.17 3.46 -1.09 4.92 -2.07 -1.26 -1.20 119.66 124.59 1kzw s GLN 42 Ca 0.04 -0.16 -0.04 0.00 -1.82 0.00 0.00 55.36 53.37 1kzw s GLN 42 Cb -0.16 -3.17 0.30 0.00 -1.09 0.00 0.00 33.01 28.89 1kzw s GLN 42 CO -0.14 0.73 1.47 -0.85 -1.32 0.00 0.00 175.29 175.19 1kzw n GLU 43 N 2.12 4.41 0.00 9.60 0.28 0.05 -4.98 120.64 132.13 1kzw n GLU 43 Ca -0.20 -4.53 0.00 0.00 -0.16 0.00 0.00 57.16 52.27 1kzw n GLU 43 Cb 0.55 -2.52 0.00 0.00 1.43 0.00 0.00 31.44 30.89 1kzw n GLU 43 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1kzw n GLY 44 N 1.43 1.19 0.10 -1.84 0.00 -1.26 -3.40 105.19 101.41 1kzw n GLY 44 Ca 0.26 0.28 -0.02 0.00 0.00 0.00 0.00 46.02 46.55 1kzw n GLY 44 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kzw h ASN 45 N 0.00 0.00 -3.53 1.61 4.21 -1.96 -3.45 115.58 112.46 1kzw h ASN 45 Ca 0.00 0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.89 1kzw h ASN 45 Cb 0.00 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 37.08 1kzw h ASN 45 CO 0.00 0.68 0.16 -0.54 -1.29 0.00 0.00 177.43 176.44 1kzw s LYS 46 N -2.86 3.91 -0.31 0.81 1.02 -1.22 -1.62 119.74 119.47 1kzw s LYS 46 Ca 0.00 0.31 -0.13 0.00 0.02 0.00 0.00 55.97 56.18 1kzw s LYS 46 Cb 0.08 -3.73 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 1kzw s LYS 46 CO 0.79 -0.57 0.24 -0.06 -0.92 0.00 0.00 175.35 174.83 1kzw s PHE 47 N 2.62 3.22 -0.57 3.18 0.40 0.48 -0.77 117.98 126.55 1kzw s PHE 47 Ca 0.25 -0.03 -0.21 0.00 -0.60 0.00 0.00 56.93 56.34 1kzw s PHE 47 Cb -0.15 -2.47 0.07 0.00 0.51 0.00 0.00 43.02 40.98 1kzw s PHE 47 CO 0.12 -0.29 0.80 0.99 0.70 0.00 0.00 175.22 177.54 1kzw s THR 48 N 1.79 4.61 -0.49 0.64 2.01 -0.34 -1.42 115.64 122.43 1kzw s THR 48 Ca 0.07 -0.37 -0.16 0.00 0.31 0.00 0.00 61.69 61.55 1kzw s THR 48 Cb -0.17 -4.49 0.08 0.00 0.01 0.00 0.00 72.50 67.94 1kzw s THR 48 CO 0.11 -1.10 0.42 -0.69 -0.69 0.00 0.00 174.62 172.67 1kzw s VAL 49 N 3.31 5.22 -0.57 3.82 1.01 -0.44 -1.19 120.40 131.56 1kzw s VAL 49 Ca 0.20 -1.14 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1kzw s VAL 49 Cb -0.18 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.04 1kzw s VAL 49 CO 0.12 -0.65 1.35 -0.54 0.00 0.00 0.00 175.10 175.38 1kzw s LYS 50 N 1.66 3.36 -0.86 2.72 1.02 -0.19 -0.83 119.74 126.62 1kzw s LYS 50 Ca 0.04 0.38 -0.18 0.00 0.02 0.00 0.00 55.97 56.23 1kzw s LYS 50 Cb -0.25 -4.09 0.15 0.00 -0.52 0.00 0.00 37.83 33.11 1kzw s LYS 50 CO 0.06 -1.87 0.99 -1.21 -0.92 0.00 0.00 175.35 172.40 1kzw s GLU 51 N 5.36 3.52 -0.39 1.68 2.02 0.41 -1.12 118.70 130.18 1kzw s GLU 51 Ca 0.49 -1.84 -0.16 0.00 0.02 0.00 0.00 54.97 53.48 1kzw s GLU 51 Cb -0.10 -4.71 0.01 0.00 0.10 0.00 0.00 34.13 29.44 1kzw s GLU 51 CO 0.25 -1.64 0.40 0.45 0.02 0.00 0.00 175.26 174.74 1kzw s SER 52 N 3.29 6.19 0.15 -0.19 0.15 -0.86 -2.37 113.70 120.05 1kzw s SER 52 Ca 0.27 -0.52 -0.06 0.00 0.70 0.00 0.00 55.95 56.34 1kzw s SER 52 Cb -0.08 -2.21 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1kzw s SER 52 CO -0.07 -0.49 0.19 -0.94 1.20 0.00 0.00 173.24 173.14 1kzw s SER 53 N 1.77 0.15 0.56 5.45 1.04 -0.50 -0.61 113.70 121.57 1kzw s SER 53 Ca 0.12 -1.01 0.32 0.00 0.48 0.00 0.00 55.95 55.86 1kzw s SER 53 Cb -0.17 0.38 1.68 0.00 0.10 0.00 0.00 66.02 68.01 1kzw s SER 53 CO 0.13 -0.83 2.14 0.00 0.98 0.00 0.00 173.24 175.66 1kzw h ALA 54 N 2.68 1.21 0.12 5.32 0.00 -1.05 -2.91 119.26 124.62 1kzw h ALA 54 Ca -0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1kzw h ALA 54 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1kzw h ALA 54 CO 0.53 0.08 -0.06 0.74 0.00 0.00 0.00 179.25 180.54 1kzw h PHE 55 N 0.00 -0.14 -1.90 0.00 0.04 -1.91 -3.50 116.94 109.52 1kzw h PHE 55 Ca -0.00 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.82 1kzw h PHE 55 Cb 0.26 0.05 -0.20 0.00 2.20 0.00 0.00 35.95 38.26 1kzw h PHE 55 CO 0.00 0.26 0.44 -0.98 -0.60 0.00 0.00 178.31 177.42 1kzw s ARG 56 N -4.38 0.79 -0.37 1.51 1.70 -1.10 -5.14 118.95 111.96 1kzw s ARG 56 Ca -0.15 0.04 0.02 0.00 -0.47 0.00 0.00 55.73 55.17 1kzw s ARG 56 Cb 0.02 0.37 0.11 0.00 -0.57 0.00 0.00 34.95 34.87 1kzw s ARG 56 CO 0.61 -0.28 0.11 -0.80 -1.08 0.00 0.00 175.30 173.86 1kzw s ASN 57 N -1.53 4.86 0.01 -2.89 0.01 -1.26 -1.40 114.94 112.74 1kzw s ASN 57 Ca -0.02 -2.20 0.02 0.00 -0.71 0.00 0.00 52.86 49.94 1kzw s ASN 57 Cb -0.00 -1.68 -0.01 0.00 0.41 0.00 0.00 41.25 39.96 1kzw s ASN 57 CO 0.00 -0.41 -0.06 0.27 -1.51 0.00 0.00 177.10 175.40 1kzw s ILE 58 N 0.86 0.41 -0.20 0.60 -5.25 -1.00 -4.98 121.20 111.64 1kzw s ILE 58 Ca 0.11 -0.47 -0.16 0.00 -0.99 0.00 0.00 60.65 59.13 1kzw s ILE 58 Cb -0.20 -0.40 -0.04 0.00 2.95 0.00 0.00 42.46 44.77 1kzw s ILE 58 CO -0.07 -0.05 0.42 -1.83 -1.79 0.00 0.00 174.94 171.62 1kzw s GLU 59 N -0.57 4.18 -0.46 0.37 -1.05 -1.26 -0.45 118.70 119.46 1kzw s GLU 59 Ca -0.02 0.24 -0.14 0.00 -0.15 0.00 0.00 54.97 54.91 1kzw s GLU 59 Cb -0.04 -3.54 0.08 0.00 -0.44 0.00 0.00 34.13 30.18 1kzw s GLU 59 CO -0.00 -0.05 0.36 0.08 0.95 0.00 0.00 175.26 176.60 1kzw s VAL 60 N 1.35 4.93 -0.44 1.83 1.01 -0.01 -4.92 120.40 124.14 1kzw s VAL 60 Ca 0.20 -1.18 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 1kzw s VAL 60 Cb -0.15 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1kzw s VAL 60 CO 0.08 -0.57 0.46 -0.69 0.00 0.00 0.00 175.10 174.39 1kzw s VAL 61 N 1.57 5.07 -0.04 2.92 1.01 -1.26 -1.33 120.40 128.34 1kzw s VAL 61 Ca 0.04 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1kzw s VAL 61 Cb -0.24 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1kzw s VAL 61 CO 0.05 -0.50 -0.07 0.72 0.00 0.00 0.00 175.10 175.30 1kzw s PHE 62 N 2.17 0.89 0.34 5.22 -0.12 -0.51 -4.96 117.98 121.01 1kzw s PHE 62 Ca 0.12 -0.27 -0.28 0.00 -0.05 0.00 0.00 56.93 56.45 1kzw s PHE 62 Cb -0.18 -0.73 -0.10 0.00 -0.63 0.00 0.00 43.02 41.38 1kzw s PHE 62 CO 0.13 -0.19 1.30 -2.00 -0.05 0.00 0.00 175.22 174.41 1kzw s GLU 63 N 0.74 4.30 -0.03 1.99 2.12 -1.26 -0.39 118.70 126.17 1kzw s GLU 63 Ca -0.11 2.19 -0.35 0.00 0.36 0.00 0.00 54.97 57.06 1kzw s GLU 63 Cb -0.14 -3.02 -0.13 0.00 0.26 0.00 0.00 34.13 31.11 1kzw s GLU 63 CO 0.01 -0.23 1.77 1.28 -0.54 0.00 0.00 175.26 177.56 1kzw n LEU 64 N 0.69 3.22 0.00 2.70 4.77 -0.64 -2.43 117.00 125.30 1kzw n LEU 64 Ca 0.01 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1kzw n LEU 64 Cb 0.42 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1kzw n LEU 64 CO 0.58 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1kzw n GLY 65 N 4.06 1.21 3.75 -0.72 0.00 -0.77 -5.00 105.19 107.73 1kzw n GLY 65 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1kzw n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kzw s VAL 66 N -2.71 4.46 -0.74 1.61 0.11 -1.02 -4.89 120.40 117.21 1kzw s VAL 66 Ca 0.00 1.82 -0.20 0.00 -2.93 0.00 0.00 61.98 60.68 1kzw s VAL 66 Cb 0.00 -4.20 0.11 0.00 -1.53 0.00 0.00 36.38 30.76 1kzw s VAL 66 CO 0.00 0.43 0.93 -0.89 -3.33 0.00 0.00 175.10 172.23 1kzw s THR 67 N -0.56 4.71 0.13 5.04 2.01 -1.26 -3.95 115.64 121.75 1kzw s THR 67 Ca 0.40 -1.12 0.10 0.00 0.31 0.00 0.00 61.69 61.38 1kzw s THR 67 Cb -0.23 -4.64 -0.04 0.00 0.01 0.00 0.00 72.50 67.60 1kzw s THR 67 CO 0.27 -1.35 -0.24 0.72 -0.69 0.00 0.00 174.62 173.33 1kzw s PHE 68 N 2.89 2.09 -0.73 4.92 -0.71 -0.39 -4.70 117.98 121.36 1kzw s PHE 68 Ca 0.22 -0.40 -0.23 0.00 -1.04 0.00 0.00 56.93 55.48 1kzw s PHE 68 Cb -0.14 -1.12 0.07 0.00 -1.21 0.00 0.00 43.02 40.61 1kzw s PHE 68 CO 0.01 0.31 1.08 0.54 -1.34 0.00 0.00 175.22 175.81 1kzw s ASN 69 N -2.10 6.24 -0.28 1.98 4.22 -1.26 -1.53 114.94 122.21 1kzw s ASN 69 Ca 0.12 -1.01 -0.20 0.00 -2.14 0.00 0.00 52.86 49.62 1kzw s ASN 69 Cb -0.10 -2.46 -0.01 0.00 1.28 0.00 0.00 41.25 39.97 1kzw s ASN 69 CO 0.06 -1.49 0.63 -0.47 -2.04 0.00 0.00 177.10 173.79 1kzw s TYR 70 N 4.33 3.24 -0.42 1.54 5.04 0.07 -4.80 117.35 126.35 1kzw s TYR 70 Ca 0.27 0.69 -0.28 0.00 -2.44 0.00 0.00 57.07 55.31 1kzw s TYR 70 Cb -0.13 -2.92 -0.00 0.00 0.35 0.00 0.00 41.96 39.26 1kzw s TYR 70 CO 0.08 -0.41 1.59 0.54 -1.34 0.00 0.00 175.55 176.01 1kzw s ASN 71 N 1.56 6.06 0.25 4.32 2.20 -1.26 -0.32 114.94 127.75 1kzw s ASN 71 Ca 0.26 0.88 -0.30 0.00 -0.94 0.00 0.00 52.86 52.76 1kzw s ASN 71 Cb -0.15 -2.53 -0.09 0.00 -2.00 0.00 0.00 41.25 36.47 1kzw s ASN 71 CO 0.10 -1.65 0.99 -0.22 -2.94 0.00 0.00 177.10 173.39 1kzw s LEU 72 N 6.34 4.61 -0.78 3.54 1.98 0.08 -4.94 118.68 129.52 1kzw s LEU 72 Ca 0.67 2.05 -0.17 0.00 -2.89 0.00 0.00 54.13 53.79 1kzw s LEU 72 Cb -0.16 -3.61 -0.13 0.00 0.66 0.00 0.00 46.19 42.95 1kzw s LEU 72 CO 0.31 0.06 1.95 0.00 -1.89 0.00 0.00 176.35 176.78 1kzw n ALA 73 N 1.45 3.61 0.06 5.97 0.00 -1.26 -3.40 120.51 126.94 1kzw n ALA 73 Ca -0.02 -2.85 0.00 0.00 0.00 0.00 0.00 53.44 50.57 1kzw n ALA 73 Cb 0.46 -3.43 0.00 0.00 0.00 0.00 0.00 19.45 16.48 1kzw n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1kzw n ASP 74 N 6.51 -1.16 0.00 0.00 2.03 -1.26 -5.08 116.55 117.60 1kzw n ASP 74 Ca 0.47 0.31 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1kzw n ASP 74 Cb 0.32 1.34 0.00 0.00 -0.72 0.00 0.00 41.12 42.05 1kzw n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kzw n GLY 75 N -1.44 -1.89 3.63 0.27 0.00 -1.22 -5.15 105.19 99.39 1kzw n GLY 75 Ca 0.00 0.87 -0.01 0.00 0.00 0.00 0.00 46.02 46.88 1kzw n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kzw s THR 76 N 0.00 -0.97 -0.37 2.61 2.01 -1.25 -5.04 115.64 112.62 1kzw s THR 76 Ca 0.00 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.77 1kzw s THR 76 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1kzw s THR 76 CO 0.00 0.00 0.76 -1.61 -0.69 0.00 0.00 174.62 173.08 1kzw s GLU 77 N 2.87 3.70 -0.44 4.92 2.02 -1.26 -0.74 118.70 129.77 1kzw s GLU 77 Ca -0.05 0.22 -0.19 0.00 0.02 0.00 0.00 54.97 54.96 1kzw s GLU 77 Cb -0.12 -3.83 0.03 0.00 0.10 0.00 0.00 34.13 30.31 1kzw s GLU 77 CO -0.19 -0.86 0.57 -0.51 0.02 0.00 0.00 175.26 174.29 1kzw s LEU 78 N 3.06 4.68 -0.31 1.80 1.43 0.56 -1.23 118.68 128.67 1kzw s LEU 78 Ca 0.30 -0.52 -0.22 0.00 -1.03 0.00 0.00 54.13 52.67 1kzw s LEU 78 Cb -0.13 -2.58 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 1kzw s LEU 78 CO 0.17 -0.72 0.69 -0.60 0.23 0.00 0.00 176.35 176.12 1kzw s ARG 79 N 2.56 3.92 -0.09 1.70 3.52 -0.09 -0.75 118.95 129.72 1kzw s ARG 79 Ca 0.18 0.40 -0.31 0.00 -0.13 0.00 0.00 55.73 55.88 1kzw s ARG 79 Cb -0.16 -3.73 0.10 0.00 -1.56 0.00 0.00 34.95 29.60 1kzw s ARG 79 CO 0.16 -0.62 1.37 0.20 -0.81 0.00 0.00 175.30 175.60 1kzw s GLY 80 N 1.64 -0.22 -0.14 8.12 0.00 -0.58 -1.25 107.32 114.89 1kzw s GLY 80 Ca 0.28 0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.20 1kzw s GLY 80 CO 0.12 6.50 -0.18 -0.51 0.00 0.00 0.00 173.10 179.03 1kzw s THR 81 N -2.01 1.83 -0.53 0.90 -4.23 -0.79 -1.26 115.64 109.56 1kzw s THR 81 Ca 0.31 -0.82 -0.27 0.00 -1.18 0.00 0.00 61.69 59.73 1kzw s THR 81 Cb 0.00 -1.65 0.03 0.00 1.34 0.00 0.00 72.50 72.22 1kzw s THR 81 CO -0.03 0.50 1.09 0.26 -0.54 0.00 0.00 174.62 175.91 1kzw s TRP 82 N 1.08 2.73 -0.17 3.99 0.52 -1.26 -1.41 118.94 124.42 1kzw s TRP 82 Ca -0.02 0.40 -0.08 0.00 0.02 0.00 0.00 56.10 56.42 1kzw s TRP 82 Cb -0.14 -4.34 -0.04 0.00 -1.15 0.00 0.00 33.47 27.79 1kzw s TRP 82 CO -0.06 -1.40 0.08 -1.12 0.02 0.00 0.00 176.95 174.47 1kzw s SER 83 N 2.72 5.82 -0.57 2.95 0.01 -0.48 -1.84 113.70 122.31 1kzw s SER 83 Ca 0.41 0.16 -0.27 0.00 1.31 0.00 0.00 55.95 57.56 1kzw s SER 83 Cb -0.09 -1.97 0.03 0.00 0.21 0.00 0.00 66.02 64.20 1kzw s SER 83 CO 0.26 0.21 1.10 -0.22 0.41 0.00 0.00 173.24 175.00 1kzw s LEU 84 N 0.14 3.69 -0.15 2.44 2.96 -1.26 -0.82 118.68 125.69 1kzw s LEU 84 Ca 0.06 -0.04 -0.27 0.00 -0.22 0.00 0.00 54.13 53.66 1kzw s LEU 84 Cb -0.12 -3.06 -0.25 0.00 0.50 0.00 0.00 46.19 43.27 1kzw s LEU 84 CO 0.00 -1.38 0.65 -0.08 -1.32 0.00 0.00 176.35 174.22 1kzw h GLU 85 N 9.45 0.03 0.00 1.98 4.57 -1.44 -3.48 114.58 125.68 1kzw h GLU 85 Ca -0.25 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1kzw h GLU 85 Cb 1.06 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1kzw h GLU 85 CO 1.15 1.02 0.00 0.41 -1.18 0.00 0.00 179.01 180.41 1kzw n GLY 86 N 1.58 0.93 2.64 1.92 0.00 -1.26 -4.91 105.19 106.09 1kzw n GLY 86 Ca -0.16 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1kzw n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kzw n ASN 87 N 0.00 7.44 -3.57 1.61 4.13 -1.26 -4.69 115.26 118.93 1kzw n ASN 87 Ca 0.00 -3.64 -0.12 0.00 1.68 0.00 0.00 54.58 52.50 1kzw n ASN 87 Cb 0.00 -1.18 -0.11 0.00 -1.54 0.00 0.00 39.78 36.95 1kzw n ASN 87 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1kzw s LYS 88 N -3.99 0.25 -0.57 3.52 1.02 -1.26 -4.04 119.74 114.67 1kzw s LYS 88 Ca 0.41 0.71 -0.22 0.00 0.02 0.00 0.00 55.97 56.90 1kzw s LYS 88 Cb 0.21 -0.18 0.06 0.00 -0.52 0.00 0.00 37.83 37.39 1kzw s LYS 88 CO -0.15 -0.41 0.85 -0.51 -0.92 0.00 0.00 175.35 174.21 1kzw s LEU 89 N 2.49 4.51 -0.42 3.17 1.43 -0.12 -0.94 118.68 128.81 1kzw s LEU 89 Ca 0.04 -0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 52.17 1kzw s LEU 89 Cb -0.13 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.53 1kzw s LEU 89 CO -0.12 -1.19 0.70 -0.51 0.23 0.00 0.00 176.35 175.47 1kzw s ILE 90 N 3.53 4.77 -0.66 -0.59 2.07 0.00 -1.24 121.20 129.09 1kzw s ILE 90 Ca 0.23 0.40 -0.19 0.00 -1.41 0.00 0.00 60.65 59.67 1kzw s ILE 90 Cb -0.16 -4.21 0.11 0.00 0.13 0.00 0.00 42.46 38.32 1kzw s ILE 90 CO 0.14 -0.56 0.82 -0.83 -1.91 0.00 0.00 174.94 172.60 1kzw s GLY 91 N 1.98 1.77 -0.71 1.50 0.00 0.45 -1.38 107.32 110.93 1kzw s GLY 91 Ca 0.26 -2.29 -0.19 0.00 0.00 0.00 0.00 44.72 42.50 1kzw s GLY 91 CO 0.19 1.71 0.85 0.54 0.00 0.00 0.00 173.10 176.39 1kzw s LYS 92 N 2.80 3.26 0.08 2.90 1.02 -0.50 -0.97 119.74 128.33 1kzw s LYS 92 Ca 0.17 -1.51 0.09 0.00 0.02 0.00 0.00 55.97 54.73 1kzw s LYS 92 Cb -0.19 -4.44 -0.04 0.00 -0.52 0.00 0.00 37.83 32.65 1kzw s LYS 92 CO 0.04 -1.60 -0.21 -0.06 -0.92 0.00 0.00 175.35 172.60 1kzw s PHE 93 N 2.54 2.47 -0.02 3.18 0.08 -0.29 -1.89 117.98 124.05 1kzw s PHE 93 Ca 0.19 -0.30 0.05 0.00 0.12 0.00 0.00 56.93 56.98 1kzw s PHE 93 Cb -0.17 -1.38 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 1kzw s PHE 93 CO 0.01 0.29 -0.17 0.21 -0.10 0.00 0.00 175.22 175.46 1kzw s LYS 94 N -1.72 1.46 -0.23 0.44 2.20 -0.38 -0.19 119.74 121.32 1kzw s LYS 94 Ca 0.15 -0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 1kzw s LYS 94 Cb -0.10 -1.36 -0.02 0.00 -1.51 0.00 0.00 37.83 34.83 1kzw s LYS 94 CO 0.06 0.32 1.54 1.03 -0.36 0.00 0.00 175.35 177.95 1kzw s ARG 95 N -0.25 3.83 -1.57 4.03 0.52 -0.64 -0.91 118.95 123.96 1kzw s ARG 95 Ca 0.03 1.58 -0.11 0.00 -0.52 0.00 0.00 55.73 56.71 1kzw s ARG 95 Cb -0.08 -4.00 -0.04 0.00 0.52 0.00 0.00 34.95 31.35 1kzw s ARG 95 CO 0.00 -1.24 2.73 0.25 0.02 0.00 0.00 175.30 177.05 1kzw n THR 96 N 6.34 4.12 0.04 0.02 -2.24 -0.36 -1.64 114.28 120.55 1kzw n THR 96 Ca 0.18 -2.79 0.00 0.00 -2.27 0.00 0.00 64.05 59.17 1kzw n THR 96 Cb 0.45 -2.59 0.00 0.00 -2.10 0.00 0.00 70.33 66.09 1kzw n THR 96 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kzw n ASP 97 N 4.23 -0.66 0.05 3.42 -0.08 -1.26 -4.69 116.55 117.55 1kzw n ASP 97 Ca 0.70 0.32 0.11 0.00 -1.51 0.00 0.00 54.79 54.41 1kzw n ASP 97 Cb 0.28 0.86 -0.04 0.00 2.34 0.00 0.00 41.12 44.55 1kzw n ASP 97 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1kzw n ASN 98 N -2.47 0.53 0.00 1.67 2.85 -1.23 -5.03 115.26 111.58 1kzw n ASN 98 Ca 0.00 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 1kzw n ASN 98 Cb 0.00 1.02 0.00 0.00 1.24 0.00 0.00 39.78 42.04 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1kzw n GLY 99 N 1.26 2.69 3.85 8.20 0.00 -0.65 -5.02 105.19 115.53 1kzw n GLY 99 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1kzw n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kzw s ASN 100 N -2.03 6.66 -0.14 1.61 0.01 -1.26 -4.59 114.94 115.20 1kzw s ASN 100 Ca 0.00 1.32 -0.16 0.00 -0.71 0.00 0.00 52.86 53.32 1kzw s ASN 100 Cb 0.00 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 1kzw s ASN 100 CO 0.00 -0.37 0.37 -1.61 -1.51 0.00 0.00 177.10 173.97 1kzw s GLU 101 N -3.56 4.28 -0.21 -0.60 2.02 -1.26 -1.63 118.70 117.74 1kzw s GLU 101 Ca 0.55 0.24 -0.04 0.00 0.02 0.00 0.00 54.97 55.74 1kzw s GLU 101 Cb -0.10 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 1kzw s GLU 101 CO 0.25 0.22 -0.03 -1.17 0.02 0.00 0.00 175.26 174.55 1kzw s LEU 102 N 0.50 3.03 -0.31 1.80 0.20 0.73 -3.73 118.68 120.90 1kzw s LEU 102 Ca 0.20 -0.31 -0.05 0.00 0.69 0.00 0.00 54.13 54.67 1kzw s LEU 102 Cb -0.14 -1.77 0.03 0.00 -0.43 0.00 0.00 46.19 43.89 1kzw s LEU 102 CO 0.07 0.03 0.05 0.20 -0.29 0.00 0.00 176.35 176.40 1kzw s ASN 103 N 1.22 5.02 -0.45 3.68 0.01 -0.05 -1.14 114.94 123.23 1kzw s ASN 103 Ca 0.03 -1.05 -0.08 0.00 -0.71 0.00 0.00 52.86 51.05 1kzw s ASN 103 Cb -0.14 -1.80 0.12 0.00 0.41 0.00 0.00 41.25 39.83 1kzw s ASN 103 CO -0.00 -0.25 0.31 -0.89 -1.51 0.00 0.00 177.10 174.75 1kzw s THR 104 N 1.37 3.98 -0.49 1.60 2.01 -0.15 -0.45 115.64 123.52 1kzw s THR 104 Ca -0.02 -1.84 -0.21 0.00 0.31 0.00 0.00 61.69 59.94 1kzw s THR 104 Cb -0.19 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.72 1kzw s THR 104 CO 0.01 -0.75 0.71 -0.69 -0.69 0.00 0.00 174.62 173.21 1kzw s VAL 105 N 1.31 4.74 -0.44 3.82 1.01 -0.58 -0.41 120.40 129.85 1kzw s VAL 105 Ca 0.06 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1kzw s VAL 105 Cb -0.25 -4.32 0.07 0.00 0.00 0.00 0.00 36.38 31.88 1kzw s VAL 105 CO -0.01 -0.79 0.31 -0.60 0.00 0.00 0.00 175.10 174.01 1kzw s ARG 106 N 3.01 2.77 0.00 2.72 3.52 -0.37 -1.02 118.95 129.58 1kzw s ARG 106 Ca 0.22 -1.39 -0.05 0.00 -0.13 0.00 0.00 55.73 54.37 1kzw s ARG 106 Cb -0.16 -3.92 -0.00 0.00 -1.56 0.00 0.00 34.95 29.31 1kzw s ARG 106 CO 0.17 -0.97 0.10 -1.83 -0.81 0.00 0.00 175.30 171.95 1kzw s GLU 107 N 1.52 0.41 -0.21 5.12 -1.05 -0.76 -0.94 118.70 122.79 1kzw s GLU 107 Ca 0.03 -0.38 -0.29 0.00 -0.15 0.00 0.00 54.97 54.18 1kzw s GLU 107 Cb -0.23 0.17 0.00 0.00 -0.44 0.00 0.00 34.13 33.63 1kzw s GLU 107 CO 0.04 -0.09 1.01 0.42 0.95 0.00 0.00 175.26 177.59 1kzw s ILE 108 N -1.24 4.72 -0.84 1.83 1.09 -1.26 -0.16 121.20 125.34 1kzw s ILE 108 Ca -0.13 1.98 -0.13 0.00 -1.10 0.00 0.00 60.65 61.27 1kzw s ILE 108 Cb -0.07 -4.29 0.22 0.00 -1.06 0.00 0.00 42.46 37.26 1kzw s ILE 108 CO 0.01 -0.14 0.78 -0.63 -0.10 0.00 0.00 174.94 174.86 1kzw s ILE 109 N 2.95 5.50 0.00 2.92 -1.09 0.00 -4.94 121.20 126.54 1kzw s ILE 109 Ca 0.44 -2.63 0.00 0.00 -2.23 0.00 0.00 60.65 56.23 1kzw s ILE 109 Cb -0.16 -4.39 0.00 0.00 -1.58 0.00 0.00 42.46 36.33 1kzw s ILE 109 CO 0.08 -1.03 0.00 0.61 -1.23 0.00 0.00 174.94 173.37 1kzw n GLY 110 N 3.78 1.55 0.44 6.18 0.00 -1.26 -3.00 105.19 112.87 1kzw n GLY 110 Ca 0.15 0.24 0.05 0.00 0.00 0.00 0.00 46.02 46.46 1kzw n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kzw n ASP 111 N 4.68 1.93 -3.97 1.61 5.68 -1.26 -5.05 116.55 120.17 1kzw n ASP 111 Ca 0.00 -1.47 -0.25 0.00 -0.50 0.00 0.00 54.79 52.58 1kzw n ASP 111 Cb 0.00 -0.01 -0.17 0.00 -1.14 0.00 0.00 41.12 39.81 1kzw n ASP 111 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1kzw s GLU 112 N -0.90 1.54 -0.28 0.11 2.02 -1.16 -3.73 118.70 116.30 1kzw s GLU 112 Ca 0.13 -0.33 -0.29 0.00 0.02 0.00 0.00 54.97 54.50 1kzw s GLU 112 Cb 0.09 -1.38 -0.00 0.00 0.10 0.00 0.00 34.13 32.93 1kzw s GLU 112 CO 0.14 -0.07 1.36 -1.17 0.02 0.00 0.00 175.26 175.54 1kzw s LEU 113 N 0.98 3.90 -0.27 1.80 2.96 0.16 -0.82 118.68 127.39 1kzw s LEU 113 Ca -0.09 1.31 -0.09 0.00 -0.22 0.00 0.00 54.13 55.04 1kzw s LEU 113 Cb -0.15 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1kzw s LEU 113 CO 0.00 -1.10 0.13 0.68 -1.32 0.00 0.00 176.35 174.74 1kzw s VAL 114 N 4.48 4.70 -0.50 1.68 -7.23 0.77 -0.24 120.40 124.07 1kzw s VAL 114 Ca 0.59 -0.11 -0.23 0.00 -1.81 0.00 0.00 61.98 60.42 1kzw s VAL 114 Cb -0.18 -3.26 0.04 0.00 0.56 0.00 0.00 36.38 33.54 1kzw s VAL 114 CO 0.24 0.25 0.81 -1.10 -0.31 0.00 0.00 175.10 174.99 1kzw s GLN 115 N 1.66 3.31 -0.72 4.82 -0.21 -0.09 -1.82 119.66 126.62 1kzw s GLN 115 Ca 0.06 -0.33 -0.19 0.00 0.02 0.00 0.00 55.36 54.92 1kzw s GLN 115 Cb -0.16 -4.02 0.11 0.00 1.00 0.00 0.00 33.01 29.95 1kzw s GLN 115 CO 0.07 -1.29 0.88 0.99 -2.12 0.00 0.00 175.29 173.82 1kzw s THR 116 N 3.42 4.76 -0.53 -0.19 2.01 -0.19 -1.57 115.64 123.35 1kzw s THR 116 Ca 0.27 -1.16 -0.23 0.00 0.31 0.00 0.00 61.69 60.88 1kzw s THR 116 Cb -0.14 -4.61 0.04 0.00 0.01 0.00 0.00 72.50 67.80 1kzw s THR 116 CO 0.19 -1.30 0.88 -0.31 -0.69 0.00 0.00 174.62 173.39 1kzw s TYR 117 N 2.75 2.86 -0.42 4.92 1.51 -0.10 -1.53 117.35 127.34 1kzw s TYR 117 Ca 0.20 -0.04 -0.09 0.00 -1.01 0.00 0.00 57.07 56.13 1kzw s TYR 117 Cb -0.16 -3.94 0.08 0.00 -0.11 0.00 0.00 41.96 37.83 1kzw s TYR 117 CO 0.01 -1.25 0.27 0.08 -1.11 0.00 0.00 175.55 173.55 1kzw s VAL 118 N 3.68 4.22 -0.21 0.71 1.01 0.40 -0.77 120.40 129.43 1kzw s VAL 118 Ca 0.29 -1.44 -0.00 0.00 0.00 0.00 0.00 61.98 60.82 1kzw s VAL 118 Cb -0.13 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1kzw s VAL 118 CO 0.19 -0.53 -0.13 -0.47 0.00 0.00 0.00 175.10 174.15 1kzw s TYR 119 N 1.42 2.91 -1.36 5.22 5.04 -1.03 -0.87 117.35 128.68 1kzw s TYR 119 Ca 0.03 -1.55 -0.00 0.00 -2.44 0.00 0.00 57.07 53.11 1kzw s TYR 119 Cb -0.23 -1.98 0.00 0.00 0.35 0.00 0.00 41.96 40.10 1kzw s TYR 119 CO 0.02 -0.75 0.58 0.39 -1.34 0.00 0.00 175.55 174.45 1kzw n GLU 120 N 4.65 -4.21 0.00 4.97 1.02 -1.24 -1.83 120.64 124.00 1kzw n GLU 120 Ca -0.19 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1kzw n GLU 120 Cb 0.49 -4.90 0.00 0.00 -0.02 0.00 0.00 31.44 27.01 1kzw n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kzw n GLY 121 N -1.75 2.81 3.51 0.62 0.00 -1.26 -5.02 105.19 104.10 1kzw n GLY 121 Ca -0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1kzw n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kzw s VAL 122 N -0.77 4.39 -0.17 1.61 1.01 -0.76 -5.03 120.40 120.69 1kzw s VAL 122 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 1kzw s VAL 122 Cb 0.00 -4.55 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1kzw s VAL 122 CO 0.00 -1.14 0.67 -0.70 0.00 0.00 0.00 175.10 173.93 1kzw s GLU 123 N 3.93 4.27 -0.24 2.72 2.12 -1.26 -2.47 118.70 127.77 1kzw s GLU 123 Ca 0.29 0.73 0.01 0.00 0.36 0.00 0.00 54.97 56.36 1kzw s GLU 123 Cb -0.13 -3.55 0.06 0.00 0.26 0.00 0.00 34.13 30.77 1kzw s GLU 123 CO 0.18 -0.19 -0.06 0.00 -0.54 0.00 0.00 175.26 174.65 1kzw s ALA 124 N 1.73 2.07 -0.46 6.30 0.00 0.05 -4.58 121.76 126.87 1kzw s ALA 124 Ca 0.32 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 1kzw s ALA 124 Cb -0.16 -1.47 0.03 0.00 0.00 0.00 0.00 23.12 21.53 1kzw s ALA 124 CO 0.12 -1.20 0.64 0.15 0.00 0.00 0.00 175.76 175.46 1kzw s LYS 125 N 1.34 3.23 -0.15 0.00 1.02 -1.26 -0.92 119.74 123.00 1kzw s LYS 125 Ca -0.06 -0.52 -0.02 0.00 0.02 0.00 0.00 55.97 55.39 1kzw s LYS 125 Cb -0.19 -3.99 -0.02 0.00 -0.52 0.00 0.00 37.83 33.11 1kzw s LYS 125 CO -0.06 -1.07 -0.08 -0.98 -0.92 0.00 0.00 175.35 172.24 1kzw s ARG 126 N 2.77 3.52 -0.18 1.68 1.70 -0.61 -0.78 118.95 127.05 1kzw s ARG 126 Ca 0.20 -0.61 0.01 0.00 -0.47 0.00 0.00 55.73 54.87 1kzw s ARG 126 Cb -0.15 -2.78 0.02 0.00 -0.57 0.00 0.00 34.95 31.47 1kzw s ARG 126 CO 0.17 0.21 -0.17 0.42 -1.08 0.00 0.00 175.30 174.84 1kzw s ILE 127 N 0.41 1.89 -0.22 4.99 1.01 0.10 -0.91 121.20 128.46 1kzw s ILE 127 Ca -0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 1kzw s ILE 127 Cb -0.15 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 1kzw s ILE 127 CO 0.04 0.46 -0.05 -0.36 0.00 0.00 0.00 174.94 175.03 1kzw s PHE 128 N 1.35 2.95 0.36 3.97 0.40 0.67 -0.85 117.98 126.84 1kzw s PHE 128 Ca 0.04 -1.00 -0.22 0.00 -0.60 0.00 0.00 56.93 55.15 1kzw s PHE 128 Cb -0.13 -2.09 -0.10 0.00 0.51 0.00 0.00 43.02 41.20 1kzw s PHE 128 CO -0.12 -0.57 0.91 0.21 0.70 0.00 0.00 175.22 176.35 1kzw s LYS 129 N 1.46 4.35 -0.02 0.44 2.20 0.38 -0.66 119.74 127.90 1kzw s LYS 129 Ca 0.06 1.14 -0.31 0.00 -0.36 0.00 0.00 55.97 56.50 1kzw s LYS 129 Cb -0.14 -2.50 -0.09 0.00 -1.51 0.00 0.00 37.83 33.58 1kzw s LYS 129 CO -0.04 0.14 1.99 1.17 -0.36 0.00 0.00 175.35 178.25 1kzw n LYS 130 N -0.03 2.63 -0.63 4.03 3.00 -1.24 -0.96 118.16 124.96 1kzw n LYS 130 Ca 0.04 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 1kzw n LYS 130 Cb 0.52 -2.96 0.00 0.00 0.00 0.00 0.00 35.03 32.59 1kzw n LYS 130 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93