#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 0.00 -2.24 0.00 3.72 -1.26 -4.88 117.46 112.80 1kzw n PHE 2 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.07 1kzw n PHE 2 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 1kzw n PHE 2 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1kzw s ASP 3 N 0.00 5.64 0.02 4.37 1.11 -1.26 -4.54 116.67 122.01 1kzw s ASP 3 Ca 0.00 -1.86 -0.28 0.00 0.18 0.00 0.00 52.55 50.59 1kzw s ASP 3 Cb 0.00 -2.58 0.10 0.00 1.07 0.00 0.00 42.92 41.51 1kzw s ASP 3 CO 0.00 -2.43 1.24 -0.44 1.18 0.00 0.00 175.17 174.72 1kzw s SER 4 N 5.82 -0.02 -0.14 0.27 0.01 -1.25 -5.05 113.70 113.33 1kzw s SER 4 Ca 0.63 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 57.53 1kzw s SER 4 Cb 0.00 0.22 -0.05 0.00 0.21 0.00 0.00 66.02 66.41 1kzw s SER 4 CO 0.10 -0.43 0.19 0.28 0.41 0.00 0.00 173.24 173.80 1kzw s THR 5 N -2.24 5.39 -0.28 1.44 -1.32 -1.26 -1.92 115.64 115.46 1kzw s THR 5 Ca 0.22 0.33 0.01 0.00 -1.21 0.00 0.00 61.69 61.04 1kzw s THR 5 Cb 0.01 -3.50 0.08 0.00 -1.51 0.00 0.00 72.50 67.58 1kzw s THR 5 CO -0.01 0.51 0.02 0.26 -2.21 0.00 0.00 174.62 173.19 1kzw s TRP 6 N -0.26 2.41 -0.09 9.09 0.52 -0.16 -0.37 118.94 130.09 1kzw s TRP 6 Ca 0.14 -1.97 -0.11 0.00 0.02 0.00 0.00 56.10 54.18 1kzw s TRP 6 Cb -0.12 -1.88 -0.05 0.00 -1.15 0.00 0.00 33.47 30.27 1kzw s TRP 6 CO 0.03 -0.83 0.26 0.21 0.02 0.00 0.00 176.95 176.63 1kzw s LYS 7 N 1.38 3.78 0.14 4.98 2.47 -0.17 -0.81 119.74 131.50 1kzw s LYS 7 Ca 0.03 0.09 -0.31 0.00 -1.56 0.00 0.00 55.97 54.21 1kzw s LYS 7 Cb -0.18 -3.25 -0.10 0.00 -1.46 0.00 0.00 37.83 32.84 1kzw s LYS 7 CO -0.12 0.64 1.60 0.54 0.16 0.00 0.00 175.35 178.16 1kzw s VAL 8 N -0.74 2.72 -0.12 4.02 0.11 -0.70 -0.27 120.40 125.41 1kzw s VAL 8 Ca 0.18 0.44 -0.06 0.00 -2.93 0.00 0.00 61.98 59.61 1kzw s VAL 8 Cb -0.14 -3.28 -0.05 0.00 -1.53 0.00 0.00 36.38 31.37 1kzw s VAL 8 CO 0.07 0.02 -0.16 -0.67 -3.33 0.00 0.00 175.10 171.04 1kzw n ASP 9 N 4.42 0.97 -3.67 3.54 2.03 0.66 -4.82 116.55 119.67 1kzw n ASP 9 Ca 0.14 0.14 -0.12 0.00 0.52 0.00 0.00 54.79 55.48 1kzw n ASP 9 Cb 0.39 -0.36 -0.09 0.00 -0.72 0.00 0.00 41.12 40.35 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 -2.23 0.63 -0.17 -0.67 3.03 -1.13 -5.01 118.95 113.40 1kzw s ARG 10 Ca -0.17 0.89 -0.05 0.00 2.03 0.00 0.00 55.73 58.42 1kzw s ARG 10 Cb 0.07 0.22 -0.03 0.00 -1.03 0.00 0.00 34.95 34.17 1kzw s ARG 10 CO 0.22 -0.11 -0.00 -1.54 -1.13 0.00 0.00 175.30 172.74 1kzw s SER 11 N 0.80 5.08 -0.01 -2.89 1.04 -1.26 -1.14 113.70 115.32 1kzw s SER 11 Ca -0.04 -0.06 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 1kzw s SER 11 Cb -0.05 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1kzw s SER 11 CO -0.06 0.17 0.62 -0.33 0.98 0.00 0.00 173.24 174.61 1kzw h GLU 12 N 6.74 -0.24 -1.78 4.02 5.08 -1.53 -3.44 114.58 123.44 1kzw h GLU 12 Ca -0.33 0.02 -0.45 0.00 -1.00 0.00 0.00 59.36 57.59 1kzw h GLU 12 Cb 1.18 0.05 -0.38 0.00 0.50 0.00 0.00 28.75 30.11 1kzw h GLU 12 CO 0.65 -0.16 -1.13 -1.71 -1.00 0.00 0.00 179.01 175.67 1kzw n ASN 13 N -3.13 0.54 -2.71 1.42 2.85 -1.26 -4.99 115.26 107.98 1kzw n ASN 13 Ca -0.03 -3.07 -0.27 0.00 -0.11 0.00 0.00 54.58 51.11 1kzw n ASN 13 Cb 0.10 -0.37 -0.09 0.00 1.24 0.00 0.00 39.78 40.66 1kzw n ASN 13 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1kzw n TYR 14 N 0.28 1.38 0.13 1.20 9.36 -1.26 -2.90 117.16 125.35 1kzw n TYR 14 Ca 0.23 -2.28 0.00 0.00 3.32 0.00 0.00 57.90 59.17 1kzw n TYR 14 Cb 0.67 -1.90 0.00 0.00 -0.63 0.00 0.00 39.34 37.48 1kzw n TYR 14 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1kzw n ASP 15 N 2.53 -1.95 0.16 2.98 8.00 -1.26 -3.98 116.55 123.03 1kzw n ASP 15 Ca 0.59 0.49 0.01 0.00 0.71 0.00 0.00 54.79 56.58 1kzw n ASP 15 Cb 0.55 1.99 0.29 0.00 -0.02 0.00 0.00 41.12 43.93 1kzw n ASP 15 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1kzw h LYS 16 N 0.00 0.04 -0.20 -1.24 1.79 -1.99 0.12 116.57 115.09 1kzw h LYS 16 Ca 0.00 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.51 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 0.47 -0.23 0.35 -1.08 0.00 0.00 179.45 178.96 1kzw h PHE 17 N 0.03 -0.61 -0.90 -1.35 3.57 -1.86 -0.39 116.94 115.43 1kzw h PHE 17 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1kzw h PHE 17 Cb 0.78 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1kzw h PHE 17 CO 0.00 -0.31 0.51 0.52 -2.23 0.00 0.00 178.31 176.80 1kzw h MET 18 N -0.26 1.24 -0.23 1.11 2.86 -1.79 -1.34 114.93 116.52 1kzw h MET 18 Ca 0.12 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1kzw h MET 18 Cb 0.44 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1kzw h MET 18 CO -0.35 0.90 -0.02 1.49 1.06 0.00 0.00 176.91 179.99 1kzw h GLU 19 N 1.25 0.35 -0.77 1.72 4.22 -0.76 -2.06 114.58 118.54 1kzw h GLU 19 Ca 0.32 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.66 1kzw h GLU 19 Cb 0.00 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1kzw h GLU 19 CO -0.05 0.40 0.34 0.87 -2.18 0.00 0.00 179.01 178.39 1kzw h LYS 20 N 0.34 1.12 -0.40 1.92 6.56 -0.88 -3.30 116.57 121.93 1kzw h LYS 20 Ca 0.08 -0.17 -0.04 0.00 -1.06 0.00 0.00 60.65 59.45 1kzw h LYS 20 Cb 0.27 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 31.71 1kzw h LYS 20 CO 0.01 0.88 0.08 0.52 -2.06 0.00 0.00 179.45 178.88 1kzw h MET 21 N 1.10 0.60 0.00 3.15 2.86 -0.77 -3.49 114.93 118.39 1kzw h MET 21 Ca 0.26 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1kzw h MET 21 Cb 0.15 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1kzw h MET 21 CO -0.03 0.56 0.00 0.41 1.06 0.00 0.00 176.91 178.91 1kzw n GLY 22 N -0.98 0.68 3.11 8.32 0.00 -0.82 -5.11 105.19 110.40 1kzw n GLY 22 Ca 0.02 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.85 1.03 0.79 1.61 -7.23 -1.20 -5.06 120.40 109.48 1kzw s VAL 23 Ca 0.00 -0.81 -0.12 0.00 -1.81 0.00 0.00 61.98 59.24 1kzw s VAL 23 Cb 0.00 -0.91 0.07 0.00 0.56 0.00 0.00 36.38 36.10 1kzw s VAL 23 CO 0.00 0.09 1.14 0.54 -0.31 0.00 0.00 175.10 176.56 1kzw s ASN 24 N -0.82 4.06 0.32 4.85 2.20 -1.26 -4.65 114.94 119.64 1kzw s ASN 24 Ca 0.02 2.08 0.09 0.00 -0.94 0.00 0.00 52.86 54.12 1kzw s ASN 24 Cb -0.07 -2.56 0.85 0.00 -2.00 0.00 0.00 41.25 37.48 1kzw s ASN 24 CO 0.01 -2.34 1.76 -0.29 -2.94 0.00 0.00 177.10 173.29 1kzw h ILE 25 N -0.97 0.61 0.37 0.54 6.09 -2.01 0.66 117.51 122.80 1kzw h ILE 25 Ca -0.45 -0.22 -0.02 0.00 -1.37 0.00 0.00 64.86 62.81 1kzw h ILE 25 Cb 1.26 -0.08 0.00 0.00 0.47 0.00 0.00 36.82 38.47 1kzw h ILE 25 CO 0.48 0.12 -0.18 0.58 -3.07 0.00 0.00 178.15 176.08 1kzw h VAL 26 N 0.64 0.64 -0.77 2.19 2.07 -1.99 -1.27 116.25 117.75 1kzw h VAL 26 Ca 0.61 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 68.02 1kzw h VAL 26 Cb 1.12 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1kzw h VAL 26 CO -0.41 0.04 0.51 0.11 0.02 0.00 0.00 177.57 177.83 1kzw h LYS 27 N -0.60 0.76 -0.33 1.57 6.56 -1.81 -0.80 116.57 121.91 1kzw h LYS 27 Ca -0.05 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.48 1kzw h LYS 27 Cb 0.44 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.92 1kzw h LYS 27 CO 0.08 0.50 0.15 0.00 -2.06 0.00 0.00 179.45 178.13 1kzw h ARG 28 N 0.78 0.48 -0.17 3.15 3.08 -0.82 0.14 114.38 121.03 1kzw h ARG 28 Ca 0.34 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.34 1kzw h ARG 28 Cb 0.33 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 1kzw h ARG 28 CO -0.12 0.45 0.03 -0.22 -1.07 0.00 0.00 179.97 179.04 1kzw h LYS 29 N 0.40 0.09 -0.15 0.04 3.64 -1.11 -2.13 116.57 117.35 1kzw h LYS 29 Ca 0.11 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.33 1kzw h LYS 29 Cb 0.13 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1kzw h LYS 29 CO -0.01 0.06 -0.58 -0.07 -2.27 0.00 0.00 179.45 176.58 1kzw h LEU 30 N 0.09 0.53 -0.69 5.20 -0.00 -1.13 0.11 115.31 119.42 1kzw h LEU 30 Ca 0.07 -0.29 -0.04 0.00 -0.00 0.00 0.00 57.88 57.62 1kzw h LEU 30 Cb 0.07 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.55 1kzw h LEU 30 CO -0.10 0.99 0.28 0.00 -0.00 0.00 0.00 178.44 179.61 1kzw h ALA 31 N 1.01 0.90 0.66 1.53 0.00 -0.81 -2.71 119.26 119.85 1kzw h ALA 31 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1kzw h ALA 31 Cb 1.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1kzw h ALA 31 CO 0.10 0.52 -0.43 0.00 0.00 0.00 0.00 179.25 179.45 1kzw h ALA 32 N 1.13 -1.07 -0.59 0.00 0.00 -1.36 -3.33 119.26 114.04 1kzw h ALA 32 Ca 0.23 -0.21 -0.65 0.00 0.00 0.00 0.00 54.91 54.29 1kzw h ALA 32 Cb 0.21 0.54 -0.14 0.00 0.00 0.00 0.00 17.79 18.40 1kzw h ALA 32 CO -0.02 -1.12 1.65 0.72 0.00 0.00 0.00 179.25 180.48 1kzw n HIS 33 N -5.56 2.20 -0.01 0.00 -0.00 0.36 -4.63 115.22 107.59 1kzw n HIS 33 Ca -0.13 -2.49 -0.11 0.00 -0.00 0.00 0.00 57.72 54.99 1kzw n HIS 33 Cb 0.44 -1.67 -0.14 0.00 -0.00 0.00 0.00 29.99 28.63 1kzw n HIS 33 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 1kzw h ASP 34 N 4.00 0.09 -4.09 0.41 1.82 -1.59 -3.45 116.42 113.60 1kzw h ASP 34 Ca 0.59 -0.17 -0.07 0.00 -0.39 0.00 0.00 57.03 56.98 1kzw h ASP 34 Cb 0.47 -0.03 0.05 0.00 0.68 0.00 0.00 39.33 40.50 1kzw h ASP 34 CO 1.24 1.15 -0.23 0.59 -1.61 0.00 0.00 179.24 180.39 1kzw n ASN 35 N -3.16 -4.30 -4.67 2.28 3.02 -1.26 -1.61 115.26 105.55 1kzw n ASN 35 Ca -0.18 -0.20 -0.37 0.00 -0.03 0.00 0.00 54.58 53.80 1kzw n ASN 35 Cb 1.04 -2.75 -0.08 0.00 -0.61 0.00 0.00 39.78 37.38 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 -3.59 4.15 -0.21 3.41 2.96 -1.26 -4.04 118.68 120.09 1kzw s LEU 36 Ca 0.12 0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 54.26 1kzw s LEU 36 Cb -0.02 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 1kzw s LEU 36 CO 0.33 0.02 0.09 -0.75 -1.32 0.00 0.00 176.35 174.72 1kzw s LYS 37 N 1.07 3.92 -0.45 1.98 2.20 0.07 -1.72 119.74 126.80 1kzw s LYS 37 Ca 0.13 -0.36 -0.12 0.00 -0.36 0.00 0.00 55.97 55.26 1kzw s LYS 37 Cb -0.14 -3.33 0.09 0.00 -1.51 0.00 0.00 37.83 32.94 1kzw s LYS 37 CO 0.05 0.10 0.33 -0.51 -0.36 0.00 0.00 175.35 174.97 1kzw s LEU 38 N 0.88 5.47 -0.48 5.43 1.43 0.01 -1.72 118.68 129.69 1kzw s LEU 38 Ca 0.05 -1.54 -0.21 0.00 -1.03 0.00 0.00 54.13 51.39 1kzw s LEU 38 Cb -0.13 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 44.05 1kzw s LEU 38 CO 0.03 -0.62 0.70 -0.89 0.23 0.00 0.00 176.35 175.80 1kzw s THR 39 N 1.49 4.75 -0.62 5.49 2.01 -0.92 -0.99 115.64 126.86 1kzw s THR 39 Ca 0.04 -0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.87 1kzw s THR 39 Cb -0.25 -4.30 0.16 0.00 0.01 0.00 0.00 72.50 68.12 1kzw s THR 39 CO 0.03 -0.76 0.56 -0.63 -0.69 0.00 0.00 174.62 173.13 1kzw s ILE 40 N 3.00 5.22 -0.54 1.82 1.01 -0.81 -0.97 121.20 129.93 1kzw s ILE 40 Ca 0.22 -1.83 -0.17 0.00 0.00 0.00 0.00 60.65 58.88 1kzw s ILE 40 Cb -0.15 -4.32 0.12 0.00 0.01 0.00 0.00 42.46 38.12 1kzw s ILE 40 CO 0.17 -0.91 0.53 -0.89 0.00 0.00 0.00 174.94 173.84 1kzw s THR 41 N 1.13 5.14 -0.22 2.92 2.01 -0.19 -3.78 115.64 122.66 1kzw s THR 41 Ca 0.08 -1.36 -0.22 0.00 0.31 0.00 0.00 61.69 60.50 1kzw s THR 41 Cb -0.24 -4.35 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 1kzw s THR 41 CO -0.01 -0.89 0.71 -1.58 -0.69 0.00 0.00 174.62 172.16 1kzw s GLN 42 N 1.82 4.19 -0.87 4.92 0.74 -1.26 -0.80 119.66 128.40 1kzw s GLN 42 Ca 0.05 0.74 -0.03 0.00 0.05 0.00 0.00 55.36 56.17 1kzw s GLN 42 Cb -0.28 -3.61 0.22 0.00 1.10 0.00 0.00 33.01 30.43 1kzw s GLN 42 CO 0.04 -0.37 0.76 -1.83 -0.55 0.00 0.00 175.29 173.34 1kzw s GLU 43 N 2.34 3.27 6.14 1.67 -1.05 -0.08 -5.02 118.70 125.97 1kzw s GLU 43 Ca 0.31 -3.12 0.00 0.00 -0.15 0.00 0.00 54.97 52.01 1kzw s GLU 43 Cb -0.16 -4.00 0.00 0.00 -0.44 0.00 0.00 34.13 29.53 1kzw s GLU 43 CO 0.09 -1.25 0.00 0.41 0.95 0.00 0.00 175.26 175.46 1kzw n GLY 44 N 2.63 1.64 0.15 -3.83 0.00 -1.26 -2.69 105.19 101.83 1kzw n GLY 44 Ca 0.19 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.36 1.61 4.21 -1.96 -3.46 115.58 112.62 1kzw h ASN 45 Ca 0.00 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 56.93 1kzw h ASN 45 Cb 0.00 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.13 1kzw h ASN 45 CO 0.00 0.36 0.78 -0.54 -1.29 0.00 0.00 177.43 176.74 1kzw s LYS 46 N -3.04 4.01 -0.39 0.81 1.02 -1.10 -2.04 119.74 119.01 1kzw s LYS 46 Ca 0.04 0.94 -0.13 0.00 0.02 0.00 0.00 55.97 56.84 1kzw s LYS 46 Cb 0.07 -3.75 0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1kzw s LYS 46 CO 0.74 -0.91 0.26 -0.06 -0.92 0.00 0.00 175.35 174.45 1kzw s PHE 47 N 3.62 3.24 -0.70 3.18 0.40 0.34 -0.90 117.98 127.16 1kzw s PHE 47 Ca 0.44 -0.72 -0.20 0.00 -0.60 0.00 0.00 56.93 55.84 1kzw s PHE 47 Cb -0.12 -2.52 0.10 0.00 0.51 0.00 0.00 43.02 40.99 1kzw s PHE 47 CO 0.16 -0.60 0.90 0.99 0.70 0.00 0.00 175.22 177.37 1kzw s THR 48 N 1.63 4.65 -0.48 0.64 2.01 0.02 -1.73 115.64 122.38 1kzw s THR 48 Ca 0.04 -0.95 -0.18 0.00 0.31 0.00 0.00 61.69 60.91 1kzw s THR 48 Cb -0.19 -4.63 0.05 0.00 0.01 0.00 0.00 72.50 67.75 1kzw s THR 48 CO 0.09 -1.33 0.55 -0.69 -0.69 0.00 0.00 174.62 172.54 1kzw s VAL 49 N 3.09 4.98 -0.53 3.82 1.01 -0.28 -1.02 120.40 131.47 1kzw s VAL 49 Ca 0.20 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.36 1kzw s VAL 49 Cb -0.17 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.03 1kzw s VAL 49 CO 0.04 -0.69 0.97 -0.54 0.00 0.00 0.00 175.10 174.87 1kzw s LYS 50 N 2.35 3.40 -0.87 2.72 1.02 -0.14 -1.12 119.74 127.10 1kzw s LYS 50 Ca 0.13 -0.10 -0.16 0.00 0.02 0.00 0.00 55.97 55.86 1kzw s LYS 50 Cb -0.20 -4.02 0.17 0.00 -0.52 0.00 0.00 37.83 33.27 1kzw s LYS 50 CO 0.11 -1.45 0.94 -1.21 -0.92 0.00 0.00 175.35 172.82 1kzw s GLU 51 N 4.03 3.58 -0.31 1.68 2.02 -0.10 -2.16 118.70 127.45 1kzw s GLU 51 Ca 0.34 -2.09 -0.09 0.00 0.02 0.00 0.00 54.97 53.14 1kzw s GLU 51 Cb -0.11 -4.66 -0.01 0.00 0.10 0.00 0.00 34.13 29.45 1kzw s GLU 51 CO 0.22 -1.53 0.15 -1.12 0.02 0.00 0.00 175.26 172.99 1kzw s SER 52 N 2.92 5.52 0.31 -0.19 0.01 -0.70 -2.76 113.70 118.80 1kzw s SER 52 Ca 0.25 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1kzw s SER 52 Cb -0.08 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1kzw s SER 52 CO -0.09 -0.18 0.39 -1.54 0.41 0.00 0.00 173.24 172.23 1kzw n SER 53 N 4.98 -1.09 -2.60 2.44 3.41 -0.33 -0.75 113.62 119.69 1kzw n SER 53 Ca -0.14 -2.73 -0.17 0.00 -0.26 0.00 0.00 58.87 55.57 1kzw n SER 53 Cb 0.49 2.09 -0.08 0.00 -0.26 0.00 0.00 64.21 66.45 1kzw n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kzw n ALA 54 N -0.97 5.30 0.04 7.33 0.00 -0.64 -3.19 120.51 128.38 1kzw n ALA 54 Ca -0.12 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.46 1kzw n ALA 54 Cb 0.52 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.31 1kzw n ALA 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1kzw n PHE 55 N 3.20 -2.31 -3.83 0.00 3.72 -1.26 -5.02 117.46 111.95 1kzw n PHE 55 Ca 0.43 0.26 -0.12 0.00 -0.05 0.00 0.00 57.45 57.96 1kzw n PHE 55 Cb 0.46 0.95 -0.10 0.00 -0.94 0.00 0.00 39.48 39.85 1kzw n PHE 55 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1kzw s ARG 56 N -2.00 0.52 -0.35 -1.08 1.70 -1.19 -5.12 118.95 111.42 1kzw s ARG 56 Ca 0.00 -0.28 -0.00 0.00 -0.47 0.00 0.00 55.73 54.98 1kzw s ARG 56 Cb 0.00 0.22 0.12 0.00 -0.57 0.00 0.00 34.95 34.73 1kzw s ARG 56 CO 0.00 -0.13 0.17 -0.80 -1.08 0.00 0.00 175.30 173.46 1kzw s ASN 57 N -1.25 3.53 -0.09 -2.89 0.01 -1.24 -1.18 114.94 111.82 1kzw s ASN 57 Ca -0.13 -2.01 0.01 0.00 -0.71 0.00 0.00 52.86 50.01 1kzw s ASN 57 Cb -0.06 -0.68 0.02 0.00 0.41 0.00 0.00 41.25 40.93 1kzw s ASN 57 CO 0.02 -0.35 -0.09 0.27 -1.51 0.00 0.00 177.10 175.45 1kzw s ILE 58 N 1.20 1.02 -0.61 0.60 -4.36 -1.11 -4.95 121.20 112.98 1kzw s ILE 58 Ca 0.14 -0.34 -0.22 0.00 -0.26 0.00 0.00 60.65 59.98 1kzw s ILE 58 Cb -0.21 -1.00 0.07 0.00 1.25 0.00 0.00 42.46 42.57 1kzw s ILE 58 CO -0.12 0.35 0.88 -1.83 0.24 0.00 0.00 174.94 174.46 1kzw s GLU 59 N 1.28 3.14 -0.50 0.37 1.03 -1.26 -0.93 118.70 121.83 1kzw s GLU 59 Ca -0.03 -0.81 -0.21 0.00 0.03 0.00 0.00 54.97 53.95 1kzw s GLU 59 Cb -0.14 -4.19 0.05 0.00 -0.80 0.00 0.00 34.13 29.05 1kzw s GLU 59 CO -0.03 -1.65 0.71 0.08 -1.33 0.00 0.00 175.26 173.03 1kzw s VAL 60 N 3.68 4.74 -0.50 1.83 1.01 -0.28 -4.86 120.40 126.02 1kzw s VAL 60 Ca 0.21 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 1kzw s VAL 60 Cb -0.17 -4.34 0.05 0.00 0.00 0.00 0.00 36.38 31.91 1kzw s VAL 60 CO 0.11 -0.84 0.72 -0.69 0.00 0.00 0.00 175.10 174.39 1kzw s VAL 61 N 3.00 4.73 -0.04 2.92 1.01 -1.26 -1.12 120.40 129.64 1kzw s VAL 61 Ca 0.20 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1kzw s VAL 61 Cb -0.17 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 1kzw s VAL 61 CO 0.15 -0.85 -0.23 0.72 0.00 0.00 0.00 175.10 174.90 1kzw s PHE 62 N 3.03 2.14 0.22 5.22 -0.12 -0.71 -4.95 117.98 122.81 1kzw s PHE 62 Ca 0.21 -0.55 -0.28 0.00 -0.05 0.00 0.00 56.93 56.26 1kzw s PHE 62 Cb -0.16 -1.40 -0.09 0.00 -0.63 0.00 0.00 43.02 40.74 1kzw s PHE 62 CO 0.15 -0.14 0.88 -1.21 -0.05 0.00 0.00 175.22 174.85 1kzw s GLU 63 N -0.26 4.73 -0.14 1.99 2.02 -1.26 -0.50 118.70 125.28 1kzw s GLU 63 Ca 0.01 1.35 -0.29 0.00 0.02 0.00 0.00 54.97 56.06 1kzw s GLU 63 Cb -0.11 -3.25 -0.06 0.00 0.10 0.00 0.00 34.13 30.81 1kzw s GLU 63 CO 0.02 0.53 2.10 -0.51 0.02 0.00 0.00 175.26 177.41 1kzw s LEU 64 N -1.22 3.79 0.00 1.80 1.43 -0.87 -1.97 118.68 121.65 1kzw s LEU 64 Ca 0.39 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 1kzw s LEU 64 Cb -0.24 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1kzw s LEU 64 CO 0.29 -1.63 0.00 0.61 0.23 0.00 0.00 176.35 175.86 1kzw n GLY 65 N 5.30 0.72 3.75 -3.19 0.00 -0.19 -4.96 105.19 106.62 1kzw n GLY 65 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.15 3.92 -0.60 1.61 0.11 -0.83 -4.86 120.40 117.60 1kzw s VAL 66 Ca 0.00 1.92 -0.25 0.00 -2.93 0.00 0.00 61.98 60.72 1kzw s VAL 66 Cb 0.00 -4.21 0.04 0.00 -1.53 0.00 0.00 36.38 30.68 1kzw s VAL 66 CO 0.00 0.44 1.02 -0.89 -3.33 0.00 0.00 175.10 172.35 1kzw s THR 67 N -1.20 4.24 0.16 5.04 2.01 -1.26 -4.08 115.64 120.55 1kzw s THR 67 Ca 0.42 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.72 1kzw s THR 67 Cb -0.27 -4.64 -0.04 0.00 0.01 0.00 0.00 72.50 67.56 1kzw s THR 67 CO 0.34 -1.30 0.03 0.72 -0.69 0.00 0.00 174.62 173.73 1kzw s PHE 68 N 4.34 1.10 -0.70 4.92 -0.71 -0.45 -4.82 117.98 121.66 1kzw s PHE 68 Ca 0.31 -1.13 -0.22 0.00 -1.04 0.00 0.00 56.93 54.85 1kzw s PHE 68 Cb -0.12 -0.62 0.07 0.00 -1.21 0.00 0.00 43.02 41.14 1kzw s PHE 68 CO 0.18 -0.35 1.01 -0.80 -1.34 0.00 0.00 175.22 173.92 1kzw s ASN 69 N -3.13 6.22 0.43 1.98 -0.87 -1.26 -1.31 114.94 116.99 1kzw s ASN 69 Ca 0.25 -1.06 -0.09 0.00 -1.57 0.00 0.00 52.86 50.39 1kzw s ASN 69 Cb 0.07 -2.43 -0.06 0.00 -0.02 0.00 0.00 41.25 38.81 1kzw s ASN 69 CO 0.04 -1.43 0.77 -0.47 -2.57 0.00 0.00 177.10 173.44 1kzw s TYR 70 N 4.06 3.50 -0.05 2.20 5.04 0.28 -4.79 117.35 127.58 1kzw s TYR 70 Ca 0.24 0.97 0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1kzw s TYR 70 Cb -0.15 -2.40 0.01 0.00 0.35 0.00 0.00 41.96 39.77 1kzw s TYR 70 CO 0.08 -0.16 -0.13 -0.80 -1.34 0.00 0.00 175.55 173.21 1kzw s ASN 71 N -3.45 1.76 0.68 4.32 0.01 -1.26 -0.05 114.94 116.95 1kzw s ASN 71 Ca 0.50 -0.29 -0.05 0.00 -0.71 0.00 0.00 52.86 52.31 1kzw s ASN 71 Cb -0.10 -0.70 0.06 0.00 0.41 0.00 0.00 41.25 40.91 1kzw s ASN 71 CO 0.36 0.06 0.97 -0.76 -1.51 0.00 0.00 177.10 176.22 1kzw s LEU 72 N 0.47 2.89 0.00 0.60 1.43 -1.23 -4.98 118.68 117.86 1kzw s LEU 72 Ca -0.11 0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1kzw s LEU 72 Cb -0.14 -3.07 -0.11 0.00 0.03 0.00 0.00 46.19 42.91 1kzw s LEU 72 CO 0.03 -1.52 1.92 0.00 0.23 0.00 0.00 176.35 177.01 1kzw n ALA 73 N -2.82 3.70 -1.00 4.21 0.00 -1.26 -3.76 120.51 119.57 1kzw n ALA 73 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1kzw n ALA 73 Cb 0.60 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 2.41 0.00 0.00 0.00 -0.08 -1.26 -4.56 116.55 113.06 1kzw n ASP 74 Ca 0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 1kzw n ASP 74 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1kzw n ASP 74 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1kzw n GLY 75 N 1.12 -2.02 3.31 0.27 0.00 -1.25 -5.10 105.19 101.52 1kzw n GLY 75 Ca 0.00 0.96 -0.10 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 -0.10 0.04 2.61 2.01 -1.26 -5.03 115.64 113.91 1kzw s THR 76 Ca 0.00 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1kzw s THR 76 Cb 0.00 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1kzw s THR 76 CO 0.00 0.04 0.99 -1.61 -0.69 0.00 0.00 174.62 173.35 1kzw s GLU 77 N 1.57 4.59 -0.29 4.92 2.02 -1.26 -3.49 118.70 126.76 1kzw s GLU 77 Ca -0.09 1.45 0.02 0.00 0.02 0.00 0.00 54.97 56.37 1kzw s GLU 77 Cb -0.08 -3.43 0.08 0.00 0.10 0.00 0.00 34.13 30.80 1kzw s GLU 77 CO -0.14 0.01 0.01 -0.51 0.02 0.00 0.00 175.26 174.65 1kzw s LEU 78 N 0.72 3.44 -0.31 1.80 1.43 0.93 -2.60 118.68 124.10 1kzw s LEU 78 Ca 0.51 -1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 51.66 1kzw s LEU 78 Cb -0.22 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1kzw s LEU 78 CO 0.29 -0.32 1.28 0.00 0.23 0.00 0.00 176.35 177.82 1kzw s ARG 79 N 1.22 3.91 0.00 1.70 1.70 0.11 -0.56 118.95 127.03 1kzw s ARG 79 Ca 0.03 1.19 0.00 0.00 -0.47 0.00 0.00 55.73 56.48 1kzw s ARG 79 Cb -0.19 -3.87 0.00 0.00 -0.57 0.00 0.00 34.95 30.32 1kzw s ARG 79 CO -0.10 -1.12 0.00 0.41 -1.08 0.00 0.00 175.30 173.40 1kzw n GLY 80 N 4.32 -0.85 3.13 3.88 0.00 -0.43 -1.27 105.19 113.97 1kzw n GLY 80 Ca 0.14 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 1kzw n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kzw s THR 81 N -3.00 2.00 -0.40 2.61 -4.23 -0.56 -1.34 115.64 110.72 1kzw s THR 81 Ca 0.00 -0.92 -0.24 0.00 -1.18 0.00 0.00 61.69 59.35 1kzw s THR 81 Cb 0.00 -1.80 0.02 0.00 1.34 0.00 0.00 72.50 72.06 1kzw s THR 81 CO 0.00 0.53 0.84 0.26 -0.54 0.00 0.00 174.62 175.72 1kzw s TRP 82 N 1.13 3.05 -0.10 3.99 0.23 -1.26 -1.32 118.94 124.65 1kzw s TRP 82 Ca 0.00 0.51 0.03 0.00 -2.03 0.00 0.00 56.10 54.62 1kzw s TRP 82 Cb -0.14 -3.61 -0.00 0.00 0.03 0.00 0.00 33.47 29.75 1kzw s TRP 82 CO -0.09 -0.87 -0.22 -1.12 0.96 0.00 0.00 176.95 175.61 1kzw s SER 83 N 1.98 3.22 -0.08 2.95 0.01 -0.52 -1.03 113.70 120.23 1kzw s SER 83 Ca 0.34 -0.53 -0.21 0.00 1.31 0.00 0.00 55.95 56.86 1kzw s SER 83 Cb -0.12 -1.42 -0.04 0.00 0.21 0.00 0.00 66.02 64.65 1kzw s SER 83 CO 0.20 0.16 0.61 -0.22 0.41 0.00 0.00 173.24 174.40 1kzw s LEU 84 N 0.32 4.31 0.00 2.44 2.96 -1.26 -0.80 118.68 126.65 1kzw s LEU 84 Ca -0.17 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1kzw s LEU 84 Cb -0.18 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.59 1kzw s LEU 84 CO 0.08 -0.05 0.00 1.21 -1.32 0.00 0.00 176.35 176.27 1kzw n GLU 85 N 3.64 0.00 -3.11 1.98 0.00 0.26 -5.01 120.64 118.40 1kzw n GLU 85 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.13 1kzw n GLU 85 Cb 0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 31.44 31.92 1kzw n GLU 85 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1kzw s GLY 86 N -1.53 -1.31 -0.00 8.31 0.00 -1.26 -4.83 107.32 106.69 1kzw s GLY 86 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1kzw s GLY 86 CO 0.00 3.76 0.00 0.70 0.00 0.00 0.00 173.10 177.56 1kzw n ASN 87 N 4.17 -5.19 -3.81 1.64 3.02 -1.26 -5.02 115.26 108.80 1kzw n ASN 87 Ca 0.11 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.41 1kzw n ASN 87 Cb 0.58 -2.69 -0.17 0.00 -0.61 0.00 0.00 39.78 36.88 1kzw n ASN 87 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1kzw s LYS 88 N -1.47 0.96 -0.40 3.52 1.02 -1.26 -2.84 119.74 119.27 1kzw s LYS 88 Ca 0.00 -0.15 -0.13 0.00 0.02 0.00 0.00 55.97 55.71 1kzw s LYS 88 Cb 0.00 -1.45 0.03 0.00 -0.52 0.00 0.00 37.83 35.89 1kzw s LYS 88 CO 0.00 -0.37 0.27 -0.51 -0.92 0.00 0.00 175.35 173.82 1kzw s LEU 89 N 1.84 5.00 -0.30 3.17 1.43 0.20 -0.57 118.68 129.45 1kzw s LEU 89 Ca 0.03 -1.03 -0.19 0.00 -1.03 0.00 0.00 54.13 51.92 1kzw s LEU 89 Cb -0.13 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1kzw s LEU 89 CO -0.07 -0.45 0.56 -0.51 0.23 0.00 0.00 176.35 176.11 1kzw s ILE 90 N 1.60 5.00 -0.61 -0.59 1.10 0.02 -0.82 121.20 126.90 1kzw s ILE 90 Ca 0.03 0.73 -0.17 0.00 -0.51 0.00 0.00 60.65 60.74 1kzw s ILE 90 Cb -0.20 -3.93 0.14 0.00 0.15 0.00 0.00 42.46 38.62 1kzw s ILE 90 CO 0.08 -0.08 0.62 -0.83 -2.11 0.00 0.00 174.94 172.61 1kzw s GLY 91 N 1.64 2.08 -0.65 1.50 0.00 -0.31 -1.44 107.32 110.15 1kzw s GLY 91 Ca 0.22 -2.58 -0.18 0.00 0.00 0.00 0.00 44.72 42.18 1kzw s GLY 91 CO 0.11 1.34 0.75 0.54 0.00 0.00 0.00 173.10 175.84 1kzw s LYS 92 N 1.72 3.15 0.06 2.90 1.02 -0.44 -2.15 119.74 126.01 1kzw s LYS 92 Ca 0.08 -1.48 0.08 0.00 0.02 0.00 0.00 55.97 54.67 1kzw s LYS 92 Cb -0.25 -4.35 -0.03 0.00 -0.52 0.00 0.00 37.83 32.69 1kzw s LYS 92 CO 0.02 -1.54 -0.22 -0.06 -0.92 0.00 0.00 175.35 172.63 1kzw s PHE 93 N 2.43 1.88 0.11 3.18 0.08 -0.89 -1.50 117.98 123.27 1kzw s PHE 93 Ca 0.14 -0.39 0.11 0.00 0.12 0.00 0.00 56.93 56.91 1kzw s PHE 93 Cb -0.21 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 1kzw s PHE 93 CO 0.03 0.14 -0.27 0.15 -0.10 0.00 0.00 175.22 175.17 1kzw s LYS 94 N -1.43 1.48 0.47 0.44 1.02 -0.40 -0.30 119.74 121.02 1kzw s LYS 94 Ca 0.08 -1.29 -0.21 0.00 0.02 0.00 0.00 55.97 54.56 1kzw s LYS 94 Cb -0.09 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 1kzw s LYS 94 CO 0.03 0.46 1.06 1.03 -0.92 0.00 0.00 175.35 177.01 1kzw s ARG 95 N -1.88 3.84 0.00 1.68 0.52 -0.22 -0.71 118.95 122.19 1kzw s ARG 95 Ca 0.13 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.82 1kzw s ARG 95 Cb -0.10 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1kzw s ARG 95 CO 0.05 -0.41 0.37 0.25 0.02 0.00 0.00 175.30 175.58 1kzw n THR 96 N -0.71 0.00 -0.22 0.02 -2.24 -1.07 -2.93 114.28 107.13 1kzw n THR 96 Ca 0.08 0.77 -0.07 0.00 -2.27 0.00 0.00 64.05 62.56 1kzw n THR 96 Cb 0.51 -1.58 0.03 0.00 -2.10 0.00 0.00 70.33 67.20 1kzw n THR 96 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1kzw h ASP 97 N 0.00 0.91 0.82 3.42 3.58 -1.96 -3.14 116.42 120.05 1kzw h ASP 97 Ca 0.00 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1kzw h ASP 97 Cb 0.00 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.81 1kzw h ASP 97 CO 0.00 0.86 -0.59 -3.20 -2.88 0.00 0.00 179.24 173.44 1kzw n ASN 98 N -4.39 0.65 0.00 2.28 4.05 -1.26 -5.02 115.26 111.58 1kzw n ASN 98 Ca 0.04 0.09 0.00 0.00 0.45 0.00 0.00 54.58 55.15 1kzw n ASN 98 Cb 0.20 0.15 0.00 0.00 1.23 0.00 0.00 39.78 41.36 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1kzw n GLY 99 N 1.36 1.58 3.88 8.20 0.00 -1.15 -4.98 105.19 114.09 1kzw n GLY 99 Ca 0.04 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 0.01 5.87 0.21 1.61 0.01 -1.26 -3.73 114.94 117.66 1kzw s ASN 100 Ca 0.00 1.27 -0.30 0.00 -0.71 0.00 0.00 52.86 53.12 1kzw s ASN 100 Cb 0.00 -2.21 -0.09 0.00 0.41 0.00 0.00 41.25 39.36 1kzw s ASN 100 CO 0.00 -1.07 1.24 -1.83 -1.51 0.00 0.00 177.10 173.92 1kzw s GLU 101 N -5.25 4.46 -0.07 -0.60 4.04 -1.26 -1.06 118.70 118.96 1kzw s GLU 101 Ca 0.56 1.96 0.03 0.00 0.04 0.00 0.00 54.97 57.57 1kzw s GLU 101 Cb -0.11 -3.21 0.01 0.00 0.02 0.00 0.00 34.13 30.84 1kzw s GLU 101 CO 0.53 -0.13 -0.17 -1.17 -1.84 0.00 0.00 175.26 172.48 1kzw s LEU 102 N -0.43 1.82 -0.17 1.83 0.20 0.59 -4.39 118.68 118.13 1kzw s LEU 102 Ca 0.53 -0.39 -0.05 0.00 0.69 0.00 0.00 54.13 54.91 1kzw s LEU 102 Cb -0.35 -1.03 -0.03 0.00 -0.43 0.00 0.00 46.19 44.36 1kzw s LEU 102 CO 0.39 0.09 0.00 0.20 -0.29 0.00 0.00 176.35 176.74 1kzw s ASN 103 N 0.47 5.08 -0.26 3.68 0.01 -0.36 -2.10 114.94 121.46 1kzw s ASN 103 Ca -0.14 -0.07 0.02 0.00 -0.71 0.00 0.00 52.86 51.95 1kzw s ASN 103 Cb -0.16 -1.85 0.07 0.00 0.41 0.00 0.00 41.25 39.72 1kzw s ASN 103 CO 0.05 0.16 -0.05 -0.89 -1.51 0.00 0.00 177.10 174.85 1kzw s THR 104 N 0.46 1.76 -0.41 1.60 2.01 -0.91 -0.80 115.64 119.34 1kzw s THR 104 Ca -0.01 -1.46 -0.16 0.00 0.31 0.00 0.00 61.69 60.36 1kzw s THR 104 Cb -0.14 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.37 1kzw s THR 104 CO 0.02 -0.16 0.38 -0.69 -0.69 0.00 0.00 174.62 173.48 1kzw s VAL 105 N 1.27 5.16 -0.35 3.82 1.01 -0.62 -1.16 120.40 129.53 1kzw s VAL 105 Ca -0.04 -0.47 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1kzw s VAL 105 Cb -0.19 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1kzw s VAL 105 CO -0.07 -0.36 0.77 -0.13 0.00 0.00 0.00 175.10 175.31 1kzw s ARG 106 N 1.94 3.79 -0.03 2.72 0.52 -0.01 -0.88 118.95 127.00 1kzw s ARG 106 Ca 0.09 0.34 0.02 0.00 -0.52 0.00 0.00 55.73 55.66 1kzw s ARG 106 Cb -0.18 -3.79 0.01 0.00 0.52 0.00 0.00 34.95 31.51 1kzw s ARG 106 CO 0.12 -0.80 -0.09 -2.00 0.02 0.00 0.00 175.30 172.55 1kzw s GLU 107 N 3.03 1.03 -0.49 3.54 2.12 -0.46 -0.63 118.70 126.85 1kzw s GLU 107 Ca 0.31 -0.28 -0.25 0.00 0.36 0.00 0.00 54.97 55.11 1kzw s GLU 107 Cb -0.13 -0.95 0.03 0.00 0.26 0.00 0.00 34.13 33.33 1kzw s GLU 107 CO 0.16 0.07 0.93 0.42 -0.54 0.00 0.00 175.26 176.30 1kzw s ILE 108 N 0.39 4.44 -0.74 -3.70 1.09 -1.13 -0.24 121.20 121.31 1kzw s ILE 108 Ca -0.06 0.61 -0.16 0.00 -1.10 0.00 0.00 60.65 59.94 1kzw s ILE 108 Cb -0.11 -4.47 0.16 0.00 -1.06 0.00 0.00 42.46 36.99 1kzw s ILE 108 CO 0.01 -0.92 0.76 0.27 -0.10 0.00 0.00 174.94 174.96 1kzw s ILE 109 N 3.83 5.23 0.00 2.92 -4.36 -0.04 -4.87 121.20 123.92 1kzw s ILE 109 Ca 0.35 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1kzw s ILE 109 Cb -0.11 -4.50 0.00 0.00 1.25 0.00 0.00 42.46 39.10 1kzw s ILE 109 CO 0.24 -1.10 0.00 0.61 0.24 0.00 0.00 174.94 174.94 1kzw n GLY 110 N 4.73 1.65 2.56 6.27 0.00 -1.26 -2.72 105.19 116.42 1kzw n GLY 110 Ca 0.05 0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1kzw n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kzw n ASP 111 N 7.79 2.64 -3.84 1.61 9.92 -1.26 -5.00 116.55 128.41 1kzw n ASP 111 Ca 0.00 -3.18 -0.21 0.00 -0.53 0.00 0.00 54.79 50.87 1kzw n ASP 111 Cb 0.00 -0.53 -0.17 0.00 -0.64 0.00 0.00 41.12 39.78 1kzw n ASP 111 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1kzw s GLU 112 N -3.15 0.71 -0.52 -1.24 2.02 -1.10 -2.95 118.70 112.47 1kzw s GLU 112 Ca 0.38 -0.01 -0.28 0.00 0.02 0.00 0.00 54.97 55.08 1kzw s GLU 112 Cb 0.40 -0.88 0.02 0.00 0.10 0.00 0.00 34.13 33.77 1kzw s GLU 112 CO -0.07 -0.18 1.27 -1.17 0.02 0.00 0.00 175.26 175.12 1kzw s LEU 113 N 1.38 3.51 -0.28 1.80 2.96 0.02 -0.86 118.68 127.22 1kzw s LEU 113 Ca -0.04 0.37 -0.18 0.00 -0.22 0.00 0.00 54.13 54.06 1kzw s LEU 113 Cb -0.13 -3.32 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 1kzw s LEU 113 CO -0.03 -1.46 0.53 0.54 -1.32 0.00 0.00 176.35 174.61 1kzw s VAL 114 N 5.15 5.05 -0.48 1.68 0.11 0.67 -0.49 120.40 132.09 1kzw s VAL 114 Ca 0.50 0.78 -0.18 0.00 -2.93 0.00 0.00 61.98 60.15 1kzw s VAL 114 Cb -0.09 -3.87 0.05 0.00 -1.53 0.00 0.00 36.38 30.94 1kzw s VAL 114 CO 0.28 0.01 0.56 -1.10 -3.33 0.00 0.00 175.10 171.52 1kzw s GLN 115 N 2.36 3.11 -0.55 1.54 -0.21 0.21 -1.36 119.66 124.76 1kzw s GLN 115 Ca 0.21 -0.87 -0.21 0.00 0.02 0.00 0.00 55.36 54.51 1kzw s GLN 115 Cb -0.15 -4.06 0.06 0.00 1.00 0.00 0.00 33.01 29.86 1kzw s GLN 115 CO 0.10 -1.10 0.76 0.99 -2.12 0.00 0.00 175.29 173.93 1kzw s THR 116 N 2.41 4.67 -0.26 -0.19 2.01 -0.06 -1.12 115.64 123.10 1kzw s THR 116 Ca 0.14 -0.35 -0.15 0.00 0.31 0.00 0.00 61.69 61.64 1kzw s THR 116 Cb -0.19 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 1kzw s THR 116 CO 0.12 -1.01 0.37 -0.31 -0.69 0.00 0.00 174.62 173.10 1kzw s TYR 117 N 3.16 3.27 -0.17 4.92 2.02 -0.19 -1.59 117.35 128.78 1kzw s TYR 117 Ca 0.19 0.44 0.01 0.00 -0.37 0.00 0.00 57.07 57.35 1kzw s TYR 117 Cb -0.18 -2.55 0.02 0.00 -0.40 0.00 0.00 41.96 38.85 1kzw s TYR 117 CO 0.13 -0.17 -0.20 0.08 -1.57 0.00 0.00 175.55 173.82 1kzw s VAL 118 N 1.88 1.99 -0.31 0.71 1.01 0.02 -1.18 120.40 124.52 1kzw s VAL 118 Ca 0.15 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1kzw s VAL 118 Cb -0.15 -1.80 0.11 0.00 0.00 0.00 0.00 36.38 34.53 1kzw s VAL 118 CO 0.09 0.53 0.13 -0.47 0.00 0.00 0.00 175.10 175.39 1kzw s TYR 119 N 1.22 0.96 -0.54 5.22 5.04 -1.25 -1.23 117.35 126.76 1kzw s TYR 119 Ca 0.03 -1.36 -0.01 0.00 -2.44 0.00 0.00 57.07 53.29 1kzw s TYR 119 Cb -0.13 -1.25 -0.01 0.00 0.35 0.00 0.00 41.96 40.92 1kzw s TYR 119 CO -0.10 -0.84 0.51 0.39 -1.34 0.00 0.00 175.55 174.16 1kzw n GLU 120 N 4.88 -1.01 -2.86 4.97 -0.58 -1.26 -4.34 120.64 120.44 1kzw n GLU 120 Ca -0.02 1.10 -0.10 0.00 -0.42 0.00 0.00 57.16 57.73 1kzw n GLU 120 Cb 0.41 -4.45 0.04 0.00 -0.57 0.00 0.00 31.44 26.86 1kzw n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1kzw n GLY 121 N -1.50 0.17 3.42 0.62 0.00 -1.26 -5.04 105.19 101.60 1kzw n GLY 121 Ca -0.01 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1kzw n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kzw s VAL 122 N -3.16 0.02 -0.07 1.61 0.11 -1.26 -5.10 120.40 112.55 1kzw s VAL 122 Ca 0.15 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.03 1kzw s VAL 122 Cb -0.07 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 1kzw s VAL 122 CO 0.34 -0.10 -0.06 -0.70 -3.33 0.00 0.00 175.10 171.26 1kzw s GLU 123 N -1.49 1.10 -0.27 1.54 -6.30 -1.26 -3.87 118.70 108.16 1kzw s GLU 123 Ca -0.10 -0.16 0.00 0.00 -2.50 0.00 0.00 54.97 52.21 1kzw s GLU 123 Cb -0.02 -1.12 0.08 0.00 0.00 0.00 0.00 34.13 33.07 1kzw s GLU 123 CO 0.06 -0.13 0.02 0.00 0.02 0.00 0.00 175.26 175.23 1kzw s ALA 124 N 1.20 1.83 -0.28 6.30 0.00 -0.33 -4.42 121.76 126.07 1kzw s ALA 124 Ca -0.06 -1.52 -0.24 0.00 0.00 0.00 0.00 51.96 50.14 1kzw s ALA 124 Cb -0.14 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.45 1kzw s ALA 124 CO -0.02 -1.40 0.83 0.15 0.00 0.00 0.00 175.76 175.32 1kzw s LYS 125 N 1.46 4.08 -0.41 0.00 1.02 -1.26 -1.02 119.74 123.61 1kzw s LYS 125 Ca 0.02 0.79 -0.15 0.00 0.02 0.00 0.00 55.97 56.65 1kzw s LYS 125 Cb -0.18 -3.69 0.02 0.00 -0.52 0.00 0.00 37.83 33.46 1kzw s LYS 125 CO -0.12 -0.62 0.30 1.03 -0.92 0.00 0.00 175.35 175.02 1kzw s ARG 126 N 2.95 3.01 0.06 1.68 0.52 -0.28 -1.25 118.95 125.63 1kzw s ARG 126 Ca 0.34 -0.99 -0.28 0.00 -0.52 0.00 0.00 55.73 54.29 1kzw s ARG 126 Cb -0.15 -3.97 -0.05 0.00 0.52 0.00 0.00 34.95 31.31 1kzw s ARG 126 CO 0.10 -0.74 0.90 0.42 0.02 0.00 0.00 175.30 176.00 1kzw s ILE 127 N 1.70 4.68 -0.16 1.52 1.01 -0.29 -0.62 121.20 129.03 1kzw s ILE 127 Ca 0.05 1.92 0.01 0.00 0.00 0.00 0.00 60.65 62.63 1kzw s ILE 127 Cb -0.19 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.05 1kzw s ILE 127 CO 0.10 0.29 -0.20 -0.36 0.00 0.00 0.00 174.94 174.77 1kzw s PHE 128 N 0.26 2.65 0.30 3.97 0.40 0.36 -0.25 117.98 125.68 1kzw s PHE 128 Ca 0.45 -1.49 -0.28 0.00 -0.60 0.00 0.00 56.93 55.02 1kzw s PHE 128 Cb -0.22 -1.84 -0.09 0.00 0.51 0.00 0.00 43.02 41.38 1kzw s PHE 128 CO 0.27 -0.72 1.00 0.21 0.70 0.00 0.00 175.22 176.68 1kzw s LYS 129 N 1.15 4.60 -0.31 0.44 2.20 0.62 -0.80 119.74 127.64 1kzw s LYS 129 Ca 0.01 1.53 -0.29 0.00 -0.36 0.00 0.00 55.97 56.86 1kzw s LYS 129 Cb -0.14 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 1kzw s LYS 129 CO -0.09 0.25 1.71 0.21 -0.36 0.00 0.00 175.35 177.07 1kzw s LYS 130 N -1.74 3.49 0.00 4.03 2.20 -1.15 -1.00 119.74 125.56 1kzw s LYS 130 Ca 0.48 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 1kzw s LYS 130 Cb -0.25 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 31.94 1kzw s LYS 130 CO 0.31 -1.67 0.00 -3.47 -0.36 0.00 0.00 175.35 170.16