#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 -1.53 -2.92 0.00 3.01 -1.26 -5.04 117.46 109.72 1kzw n PHE 2 Ca 0.00 0.83 -0.11 0.00 1.01 0.00 0.00 57.45 59.17 1kzw n PHE 2 Cb 0.00 -1.39 0.06 0.00 -0.01 0.00 0.00 39.48 38.14 1kzw n PHE 2 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1kzw n ASP 3 N -3.06 -2.26 -1.00 4.37 8.00 -1.26 -5.06 116.55 116.28 1kzw n ASP 3 Ca -0.03 -0.41 -0.00 0.00 0.71 0.00 0.00 54.79 55.06 1kzw n ASP 3 Cb 0.27 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.81 1kzw n ASP 3 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1kzw n SER 4 N -2.42 -0.00 -4.56 -2.24 2.88 -1.09 -4.89 113.62 101.29 1kzw n SER 4 Ca -0.18 -1.00 -0.40 0.00 -1.33 0.00 0.00 58.87 55.96 1kzw n SER 4 Cb 0.61 0.01 -0.10 0.00 -0.75 0.00 0.00 64.21 63.98 1kzw n SER 4 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1kzw s THR 5 N -2.86 5.20 -0.33 2.46 2.01 -1.26 -0.93 115.64 119.94 1kzw s THR 5 Ca 0.00 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1kzw s THR 5 Cb -0.00 -3.75 0.08 0.00 0.01 0.00 0.00 72.50 68.84 1kzw s THR 5 CO 0.00 0.01 0.03 0.26 -0.69 0.00 0.00 174.62 174.24 1kzw s TRP 6 N 1.96 3.46 -0.10 4.92 0.52 -0.15 -0.99 118.94 128.55 1kzw s TRP 6 Ca 0.11 -2.37 -0.16 0.00 0.02 0.00 0.00 56.10 53.71 1kzw s TRP 6 Cb -0.16 -2.52 -0.05 0.00 -1.15 0.00 0.00 33.47 29.59 1kzw s TRP 6 CO 0.11 -0.89 0.40 0.21 0.02 0.00 0.00 176.95 176.79 1kzw s LYS 7 N 1.11 4.19 -0.12 4.98 2.36 -0.16 -0.86 119.74 131.25 1kzw s LYS 7 Ca 0.01 0.32 -0.32 0.00 -2.55 0.00 0.00 55.97 53.43 1kzw s LYS 7 Cb -0.20 -3.38 -0.09 0.00 -1.05 0.00 0.00 37.83 33.11 1kzw s LYS 7 CO -0.04 0.33 2.02 1.55 1.55 0.00 0.00 175.35 180.76 1kzw n VAL 8 N 3.16 0.54 -0.11 4.02 3.14 -0.65 -0.71 118.33 127.70 1kzw n VAL 8 Ca -0.10 -0.22 -0.25 0.00 -2.96 0.00 0.00 64.34 60.81 1kzw n VAL 8 Cb 0.52 -2.13 -0.11 0.00 -1.06 0.00 0.00 33.84 31.05 1kzw n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1kzw n ASP 9 N 8.45 1.90 -3.57 6.55 2.03 0.19 -4.87 116.55 127.23 1kzw n ASP 9 Ca 0.26 0.38 -0.11 0.00 0.52 0.00 0.00 54.79 55.84 1kzw n ASP 9 Cb 0.35 -0.91 -0.11 0.00 -0.72 0.00 0.00 41.12 39.74 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 -2.42 0.26 -0.56 -0.67 1.70 -1.02 -5.03 118.95 111.22 1kzw s ARG 10 Ca -0.32 0.75 -0.17 0.00 -0.47 0.00 0.00 55.73 55.51 1kzw s ARG 10 Cb 0.09 -0.12 0.11 0.00 -0.57 0.00 0.00 34.95 34.46 1kzw s ARG 10 CO 0.56 -0.39 0.59 -1.54 -1.08 0.00 0.00 175.30 173.44 1kzw s SER 11 N 2.51 6.19 -0.21 -2.89 1.04 -1.26 -1.87 113.70 117.21 1kzw s SER 11 Ca 0.04 -1.55 -0.15 0.00 0.48 0.00 0.00 55.95 54.77 1kzw s SER 11 Cb -0.13 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 1kzw s SER 11 CO -0.12 -0.96 0.36 -1.61 0.98 0.00 0.00 173.24 171.89 1kzw s GLU 12 N 2.15 4.16 -1.63 4.02 2.02 0.23 -4.27 118.70 125.38 1kzw s GLU 12 Ca 0.08 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1kzw s GLU 12 Cb -0.26 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.43 1kzw s GLU 12 CO 0.05 -0.02 0.00 -1.71 0.02 0.00 0.00 175.26 173.60 1kzw n ASN 13 N 4.42 -5.08 -0.03 -0.19 5.15 -1.26 -1.14 115.26 117.13 1kzw n ASN 13 Ca -0.09 0.17 -0.15 0.00 -0.60 0.00 0.00 54.58 53.91 1kzw n ASN 13 Cb 0.51 -4.14 -0.09 0.00 -0.53 0.00 0.00 39.78 35.53 1kzw n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1kzw h TYR 14 N 0.00 0.46 0.00 1.20 5.03 -1.92 -2.79 116.97 118.95 1kzw h TYR 14 Ca -0.39 -0.21 -0.01 0.00 2.58 0.00 0.00 58.73 60.71 1kzw h TYR 14 Cb 1.23 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 39.43 1kzw h TYR 14 CO 0.47 0.95 -0.05 -0.44 -1.32 0.00 0.00 178.16 177.77 1kzw h ASP 15 N -0.15 0.00 -0.04 -2.11 3.32 -1.92 0.24 116.42 115.76 1kzw h ASP 15 Ca -0.02 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1kzw h ASP 15 Cb 0.99 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.55 1kzw h ASP 15 CO 0.07 0.05 -0.33 0.11 -1.72 0.00 0.00 179.24 177.42 1kzw h LYS 16 N 0.00 0.29 -0.40 3.56 1.57 -1.99 -2.42 116.57 117.18 1kzw h LYS 16 Ca -0.00 -0.26 0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1kzw h LYS 16 Cb 0.11 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 1kzw h LYS 16 CO 0.01 0.93 -0.24 0.35 -0.57 0.00 0.00 179.45 179.93 1kzw h PHE 17 N -0.27 -0.64 -0.09 -1.35 3.57 -1.32 -0.52 116.94 116.33 1kzw h PHE 17 Ca -0.03 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1kzw h PHE 17 Cb 1.02 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1kzw h PHE 17 CO 0.15 -0.32 -0.19 0.52 -2.23 0.00 0.00 178.31 176.24 1kzw h MET 18 N -0.18 0.14 -0.47 1.11 2.86 -1.08 -1.10 114.93 116.20 1kzw h MET 18 Ca 0.19 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1kzw h MET 18 Cb 0.47 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1kzw h MET 18 CO -0.50 0.33 -0.09 1.49 1.06 0.00 0.00 176.91 179.20 1kzw h GLU 19 N 0.13 0.85 -0.95 1.72 4.22 -1.25 -1.11 114.58 118.19 1kzw h GLU 19 Ca 0.02 -0.28 0.01 0.00 0.08 0.00 0.00 59.36 59.19 1kzw h GLU 19 Cb 0.42 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1kzw h GLU 19 CO 0.03 0.91 0.63 -0.22 -2.18 0.00 0.00 179.01 178.18 1kzw h LYS 20 N 0.77 1.26 -0.42 1.92 1.63 -0.81 -3.05 116.57 117.87 1kzw h LYS 20 Ca 0.13 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1kzw h LYS 20 Cb 0.59 -0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1kzw h LYS 20 CO 0.04 0.83 0.26 0.52 -3.45 0.00 0.00 179.45 177.65 1kzw h MET 21 N 1.29 0.56 0.00 1.90 2.86 -1.17 -3.49 114.93 116.89 1kzw h MET 21 Ca 0.35 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1kzw h MET 21 Cb -0.15 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.39 1kzw h MET 21 CO -0.07 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.71 1kzw n GLY 22 N -1.12 0.77 3.65 8.32 0.00 -0.45 -5.11 105.19 111.24 1kzw n GLY 22 Ca 0.01 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.47 4.02 0.70 1.61 -7.23 -1.00 -5.04 120.40 113.00 1kzw s VAL 23 Ca 0.00 -0.51 -0.15 0.00 -1.81 0.00 0.00 61.98 59.51 1kzw s VAL 23 Cb 0.00 -2.73 0.02 0.00 0.56 0.00 0.00 36.38 34.23 1kzw s VAL 23 CO 0.00 0.49 1.15 0.21 -0.31 0.00 0.00 175.10 176.64 1kzw s ASN 24 N -1.20 4.66 0.18 4.85 2.47 -1.26 -4.55 114.94 120.08 1kzw s ASN 24 Ca 0.16 2.15 -0.24 0.00 0.42 0.00 0.00 52.86 55.35 1kzw s ASN 24 Cb -0.11 -2.57 0.08 0.00 -1.45 0.00 0.00 41.25 37.20 1kzw s ASN 24 CO 0.06 -1.94 1.56 -0.29 -3.72 0.00 0.00 177.10 172.77 1kzw h ILE 25 N -0.18 0.07 0.13 -5.21 -0.00 -2.00 0.30 117.51 110.62 1kzw h ILE 25 Ca -0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.38 1kzw h ILE 25 Cb 1.27 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 38.16 1kzw h ILE 25 CO 0.52 0.00 -0.06 0.58 -0.00 0.00 0.00 178.15 179.19 1kzw h VAL 26 N -0.16 0.97 -0.84 2.19 2.07 -1.99 -1.43 116.25 117.06 1kzw h VAL 26 Ca 0.22 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.41 1kzw h VAL 26 Cb 0.55 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 1kzw h VAL 26 CO -0.76 0.10 0.50 0.11 0.02 0.00 0.00 177.57 177.53 1kzw h LYS 27 N -0.36 0.83 0.06 1.57 1.79 -1.87 -0.09 116.57 118.50 1kzw h LYS 27 Ca -0.02 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1kzw h LYS 27 Cb 0.29 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1kzw h LYS 27 CO 0.03 0.55 -0.03 -0.09 -1.08 0.00 0.00 179.45 178.83 1kzw h ARG 28 N 0.85 -0.08 -0.64 3.15 2.43 -0.41 0.89 114.38 120.57 1kzw h ARG 28 Ca 0.40 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1kzw h ARG 28 Cb 0.32 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1kzw h ARG 28 CO -0.23 -0.02 0.40 0.87 -1.51 0.00 0.00 179.97 179.48 1kzw h LYS 29 N -0.12 0.86 -0.79 0.20 1.79 -1.17 -1.29 116.57 116.04 1kzw h LYS 29 Ca -0.01 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1kzw h LYS 29 Cb 0.10 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 30.52 1kzw h LYS 29 CO 0.01 0.59 0.42 -0.07 -1.08 0.00 0.00 179.45 179.33 1kzw h LEU 30 N 0.87 0.99 -0.61 2.94 3.38 -1.04 0.88 115.31 122.72 1kzw h LEU 30 Ca 0.23 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1kzw h LEU 30 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1kzw h LEU 30 CO -0.05 0.81 0.14 0.00 0.09 0.00 0.00 178.44 179.43 1kzw h ALA 31 N 1.35 0.80 0.13 1.53 0.00 -0.68 -2.66 119.26 119.74 1kzw h ALA 31 Ca 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1kzw h ALA 31 Cb 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1kzw h ALA 31 CO -0.04 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 179.66 1kzw h ALA 32 N 1.04 -0.17 -1.02 0.00 0.00 -1.25 -3.36 119.26 114.51 1kzw h ALA 32 Ca 0.19 -0.09 -0.77 0.00 0.00 0.00 0.00 54.91 54.24 1kzw h ALA 32 Cb 0.36 0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.00 1kzw h ALA 32 CO 0.00 -0.54 1.44 0.72 0.00 0.00 0.00 179.25 180.87 1kzw n HIS 33 N -5.11 2.68 0.39 0.00 8.25 0.30 -4.78 115.22 116.95 1kzw n HIS 33 Ca -0.08 -2.60 0.11 0.00 -0.26 0.00 0.00 57.72 54.89 1kzw n HIS 33 Cb 0.14 -1.40 -0.07 0.00 1.12 0.00 0.00 29.99 29.78 1kzw n HIS 33 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1kzw n ASP 34 N 0.49 0.49 -3.50 0.41 2.03 -1.00 -4.77 116.55 110.70 1kzw n ASP 34 Ca 0.52 -0.20 -0.22 0.00 0.52 0.00 0.00 54.79 55.41 1kzw n ASP 34 Cb 0.27 1.20 0.05 0.00 -0.72 0.00 0.00 41.12 41.92 1kzw n ASP 34 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kzw n ASN 35 N -2.07 -4.79 -4.64 1.67 3.02 -1.26 -1.38 115.26 105.80 1kzw n ASN 35 Ca -0.00 -0.83 -0.43 0.00 -0.03 0.00 0.00 54.58 53.29 1kzw n ASN 35 Cb 0.48 -4.35 -0.02 0.00 -0.61 0.00 0.00 39.78 35.28 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 -6.08 3.99 -0.26 3.41 2.96 -1.26 -4.31 118.68 117.14 1kzw s LEU 36 Ca 0.34 1.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.37 1kzw s LEU 36 Cb -0.08 -3.49 0.06 0.00 0.50 0.00 0.00 46.19 43.18 1kzw s LEU 36 CO 0.80 -0.80 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.19 1kzw s LYS 37 N 3.46 1.99 -0.48 1.98 2.20 -0.10 -1.64 119.74 127.14 1kzw s LYS 37 Ca 0.44 -1.25 -0.19 0.00 -0.36 0.00 0.00 55.97 54.61 1kzw s LYS 37 Cb -0.13 -2.79 0.05 0.00 -1.51 0.00 0.00 37.83 33.44 1kzw s LYS 37 CO 0.13 -0.60 0.58 -0.51 -0.36 0.00 0.00 175.35 174.58 1kzw s LEU 38 N 1.20 4.96 -0.45 5.43 1.43 -0.04 -1.72 118.68 129.48 1kzw s LEU 38 Ca -0.07 -0.85 -0.21 0.00 -1.03 0.00 0.00 54.13 51.98 1kzw s LEU 38 Cb -0.20 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.61 1kzw s LEU 38 CO -0.06 -0.81 0.65 -0.89 0.23 0.00 0.00 176.35 175.47 1kzw s THR 39 N 2.48 4.82 -0.16 5.49 2.01 -0.90 -0.98 115.64 128.40 1kzw s THR 39 Ca 0.14 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.07 1kzw s THR 39 Cb -0.19 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 1kzw s THR 39 CO 0.12 -0.65 0.11 -0.63 -0.69 0.00 0.00 174.62 172.88 1kzw s ILE 40 N 2.82 5.20 -0.20 1.82 1.01 -0.10 -0.96 121.20 130.79 1kzw s ILE 40 Ca 0.21 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.88 1kzw s ILE 40 Cb -0.15 -3.32 0.08 0.00 0.01 0.00 0.00 42.46 39.08 1kzw s ILE 40 CO 0.18 0.52 0.45 0.28 0.00 0.00 0.00 174.94 176.37 1kzw s THR 41 N -0.18 -0.31 -0.31 2.92 -1.32 -0.57 -2.68 115.64 113.19 1kzw s THR 41 Ca 0.09 0.11 -0.23 0.00 -1.21 0.00 0.00 61.69 60.45 1kzw s THR 41 Cb -0.12 -0.69 -0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1kzw s THR 41 CO 0.01 0.04 0.76 -1.58 -2.21 0.00 0.00 174.62 171.64 1kzw s GLN 42 N 1.96 3.93 -1.04 7.08 0.74 -1.26 -0.72 119.66 130.36 1kzw s GLN 42 Ca -0.06 0.51 -0.05 0.00 0.05 0.00 0.00 55.36 55.81 1kzw s GLN 42 Cb -0.10 -3.74 0.28 0.00 1.10 0.00 0.00 33.01 30.56 1kzw s GLN 42 CO -0.14 -0.68 1.19 -1.91 -0.55 0.00 0.00 175.29 173.20 1kzw n GLU 43 N 6.17 3.71 -2.54 1.67 2.13 0.47 -4.85 120.64 127.41 1kzw n GLU 43 Ca 0.03 -4.52 -0.03 0.00 0.66 0.00 0.00 57.16 53.30 1kzw n GLU 43 Cb 0.48 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.70 1kzw n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kzw n GLY 44 N 1.93 -1.06 4.93 8.31 0.00 -1.26 -3.79 105.19 114.25 1kzw n GLY 44 Ca 0.25 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1kzw n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kzw n ASN 45 N -0.92 0.00 -4.62 1.61 2.85 -1.26 -4.95 115.26 107.96 1kzw n ASN 45 Ca 0.05 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.09 1kzw n ASN 45 Cb 0.41 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.40 1kzw n ASN 45 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1kzw s LYS 46 N 0.00 3.72 -0.24 1.20 1.02 -1.25 -3.88 119.74 120.31 1kzw s LYS 46 Ca 0.00 1.66 -0.21 0.00 0.02 0.00 0.00 55.97 57.43 1kzw s LYS 46 Cb 0.00 -4.07 -0.02 0.00 -0.52 0.00 0.00 37.83 33.22 1kzw s LYS 46 CO 0.00 -1.39 0.68 -0.06 -0.92 0.00 0.00 175.35 173.66 1kzw s PHE 47 N 5.51 3.30 -0.46 3.18 0.08 -0.18 -0.40 117.98 129.02 1kzw s PHE 47 Ca 0.74 0.91 -0.22 0.00 0.12 0.00 0.00 56.93 58.48 1kzw s PHE 47 Cb -0.25 -2.89 0.03 0.00 -0.57 0.00 0.00 43.02 39.34 1kzw s PHE 47 CO 0.30 -0.32 0.76 0.99 -0.10 0.00 0.00 175.22 176.85 1kzw s THR 48 N 2.50 4.68 -0.35 0.64 2.01 0.11 -1.62 115.64 123.61 1kzw s THR 48 Ca 0.29 0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.51 1kzw s THR 48 Cb -0.15 -4.31 0.05 0.00 0.01 0.00 0.00 72.50 68.09 1kzw s THR 48 CO 0.08 -0.73 0.12 -0.69 -0.69 0.00 0.00 174.62 172.71 1kzw s VAL 49 N 3.20 3.76 -0.57 3.82 1.01 -0.42 -1.51 120.40 129.70 1kzw s VAL 49 Ca 0.27 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 1kzw s VAL 49 Cb -0.13 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.12 1kzw s VAL 49 CO 0.21 -0.23 1.08 -0.54 0.00 0.00 0.00 175.10 175.62 1kzw s LYS 50 N 1.38 3.43 -1.11 2.72 1.02 -0.13 -0.99 119.74 126.07 1kzw s LYS 50 Ca -0.01 0.02 -0.18 0.00 0.02 0.00 0.00 55.97 55.82 1kzw s LYS 50 Cb -0.20 -4.03 0.11 0.00 -0.52 0.00 0.00 37.83 33.19 1kzw s LYS 50 CO 0.02 -1.59 1.42 -1.21 -0.92 0.00 0.00 175.35 173.07 1kzw s GLU 51 N 4.49 3.83 -0.44 1.68 2.02 0.01 -2.12 118.70 128.18 1kzw s GLU 51 Ca 0.37 -1.93 -0.25 0.00 0.02 0.00 0.00 54.97 53.19 1kzw s GLU 51 Cb -0.10 -5.19 0.02 0.00 0.10 0.00 0.00 34.13 28.97 1kzw s GLU 51 CO 0.23 -1.97 0.88 0.45 0.02 0.00 0.00 175.26 174.88 1kzw s SER 52 N 3.80 6.51 0.07 -0.19 0.15 -0.70 -2.59 113.70 120.74 1kzw s SER 52 Ca 0.43 0.16 -0.04 0.00 0.70 0.00 0.00 55.95 57.20 1kzw s SER 52 Cb -0.01 -2.43 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 1kzw s SER 52 CO -0.03 -0.97 0.06 -0.94 1.20 0.00 0.00 173.24 172.57 1kzw s SER 53 N 2.15 0.33 0.56 5.45 1.04 -0.64 -0.93 113.70 121.66 1kzw s SER 53 Ca 0.35 -0.85 0.26 0.00 0.48 0.00 0.00 55.95 56.19 1kzw s SER 53 Cb -0.11 0.26 1.50 0.00 0.10 0.00 0.00 66.02 67.77 1kzw s SER 53 CO 0.24 -0.65 2.06 0.00 0.98 0.00 0.00 173.24 175.87 1kzw h ALA 54 N 3.00 2.09 -0.03 5.32 0.00 -1.45 -2.57 119.26 125.62 1kzw h ALA 54 Ca -0.34 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1kzw h ALA 54 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1kzw h ALA 54 CO 0.62 -0.39 -0.27 0.74 0.00 0.00 0.00 179.25 179.94 1kzw h PHE 55 N 0.00 0.34 -1.70 0.00 0.04 -1.85 -3.50 116.94 110.28 1kzw h PHE 55 Ca 0.13 -0.16 0.06 0.00 2.80 0.00 0.00 57.97 60.80 1kzw h PHE 55 Cb 0.62 -0.05 -0.22 0.00 2.20 0.00 0.00 35.95 38.51 1kzw h PHE 55 CO 0.00 0.91 0.48 -0.98 -0.60 0.00 0.00 178.31 178.12 1kzw s ARG 56 N -3.44 0.70 -0.49 1.51 1.70 -0.97 -5.13 118.95 112.84 1kzw s ARG 56 Ca -0.15 0.13 -0.03 0.00 -0.47 0.00 0.00 55.73 55.21 1kzw s ARG 56 Cb 0.02 0.33 0.13 0.00 -0.57 0.00 0.00 34.95 34.86 1kzw s ARG 56 CO 0.75 -0.23 0.29 0.54 -1.08 0.00 0.00 175.30 175.58 1kzw s ASN 57 N -1.23 5.27 -0.12 -2.89 4.22 -1.26 -1.62 114.94 117.31 1kzw s ASN 57 Ca -0.03 -2.32 0.03 0.00 -2.14 0.00 0.00 52.86 48.40 1kzw s ASN 57 Cb -0.00 -1.85 0.00 0.00 1.28 0.00 0.00 41.25 40.68 1kzw s ASN 57 CO 0.02 -0.49 -0.22 0.27 -2.04 0.00 0.00 177.10 174.64 1kzw s ILE 58 N 0.72 2.13 -0.39 0.54 -4.36 -1.07 -4.92 121.20 113.85 1kzw s ILE 58 Ca 0.11 -0.98 -0.29 0.00 -0.26 0.00 0.00 60.65 59.24 1kzw s ILE 58 Cb -0.22 -1.83 0.01 0.00 1.25 0.00 0.00 42.46 41.67 1kzw s ILE 58 CO -0.04 0.55 1.26 -1.83 0.24 0.00 0.00 174.94 175.12 1kzw s GLU 59 N 0.58 3.77 -0.47 0.37 4.04 -1.26 -0.81 118.70 124.93 1kzw s GLU 59 Ca -0.12 0.92 -0.11 0.00 0.04 0.00 0.00 54.97 55.69 1kzw s GLU 59 Cb -0.17 -3.92 0.10 0.00 0.02 0.00 0.00 34.13 30.17 1kzw s GLU 59 CO 0.03 -1.31 0.35 0.08 -1.84 0.00 0.00 175.26 172.57 1kzw s VAL 60 N 4.64 4.52 -0.32 1.83 1.01 -0.16 -4.92 120.40 127.00 1kzw s VAL 60 Ca 0.54 -1.53 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1kzw s VAL 60 Cb -0.12 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1kzw s VAL 60 CO 0.28 -0.68 0.60 -0.69 0.00 0.00 0.00 175.10 174.60 1kzw s VAL 61 N 1.46 4.96 -0.03 2.92 1.01 -1.26 -1.31 120.40 128.15 1kzw s VAL 61 Ca 0.04 0.72 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1kzw s VAL 61 Cb -0.26 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1kzw s VAL 61 CO 0.02 -0.16 -0.08 0.72 0.00 0.00 0.00 175.10 175.60 1kzw s PHE 62 N 2.56 0.85 0.14 5.22 -0.12 -0.64 -4.98 117.98 121.00 1kzw s PHE 62 Ca 0.23 -0.21 -0.29 0.00 -0.05 0.00 0.00 56.93 56.61 1kzw s PHE 62 Cb -0.15 -0.62 -0.07 0.00 -0.63 0.00 0.00 43.02 41.55 1kzw s PHE 62 CO 0.12 -0.10 0.93 -2.00 -0.05 0.00 0.00 175.22 174.12 1kzw s GLU 63 N 0.27 4.72 0.13 1.99 2.12 -1.26 -1.01 118.70 125.66 1kzw s GLU 63 Ca -0.04 1.41 -0.31 0.00 0.36 0.00 0.00 54.97 56.39 1kzw s GLU 63 Cb -0.09 -3.35 -0.11 0.00 0.26 0.00 0.00 34.13 30.85 1kzw s GLU 63 CO 0.00 0.32 1.85 -0.51 -0.54 0.00 0.00 175.26 176.38 1kzw s LEU 64 N -0.37 4.40 0.00 2.70 1.43 -1.25 -2.40 118.68 123.19 1kzw s LEU 64 Ca 0.44 2.79 0.00 0.00 -1.03 0.00 0.00 54.13 56.33 1kzw s LEU 64 Cb -0.24 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1kzw s LEU 64 CO 0.30 -1.02 0.00 0.61 0.23 0.00 0.00 176.35 176.47 1kzw n GLY 65 N 4.26 1.93 3.75 -3.19 0.00 -0.66 -4.95 105.19 106.32 1kzw n GLY 65 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1kzw n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kzw s VAL 66 N -3.27 4.98 -0.38 1.61 1.01 -1.01 -4.88 120.40 118.46 1kzw s VAL 66 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1kzw s VAL 66 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1kzw s VAL 66 CO 0.00 0.36 1.52 0.42 0.00 0.00 0.00 175.10 177.41 1kzw s THR 67 N 0.17 3.78 0.24 3.92 -4.23 -1.26 -4.25 115.64 114.02 1kzw s THR 67 Ca 0.32 0.80 0.07 0.00 -1.18 0.00 0.00 61.69 61.70 1kzw s THR 67 Cb -0.18 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.58 1kzw s THR 67 CO 0.16 -0.65 -0.08 0.72 -0.54 0.00 0.00 174.62 174.23 1kzw s PHE 68 N 5.80 1.80 -0.55 3.99 -0.71 -0.13 -4.78 117.98 123.40 1kzw s PHE 68 Ca 0.67 -0.68 -0.26 0.00 -1.04 0.00 0.00 56.93 55.62 1kzw s PHE 68 Cb -0.16 -0.96 0.04 0.00 -1.21 0.00 0.00 43.02 40.72 1kzw s PHE 68 CO 0.33 0.26 1.01 1.21 -1.34 0.00 0.00 175.22 176.69 1kzw s ASN 69 N -3.37 6.40 0.38 1.98 3.84 -1.26 -1.56 114.94 121.34 1kzw s ASN 69 Ca 0.26 -0.15 0.07 0.00 0.21 0.00 0.00 52.86 53.26 1kzw s ASN 69 Cb 0.02 -2.47 -0.01 0.00 -0.55 0.00 0.00 41.25 38.24 1kzw s ASN 69 CO 0.09 -1.27 0.46 -0.47 -2.79 0.00 0.00 177.10 173.12 1kzw s TYR 70 N 4.21 2.89 -0.11 0.43 5.04 0.63 -4.87 117.35 125.57 1kzw s TYR 70 Ca 0.35 -0.35 -0.06 0.00 -2.44 0.00 0.00 57.07 54.57 1kzw s TYR 70 Cb -0.11 -2.13 0.04 0.00 0.35 0.00 0.00 41.96 40.11 1kzw s TYR 70 CO 0.22 -0.15 0.26 0.54 -1.34 0.00 0.00 175.55 175.08 1kzw s ASN 71 N -4.20 -0.28 -1.45 4.32 2.20 -1.26 -0.89 114.94 113.38 1kzw s ASN 71 Ca 0.48 0.55 -0.09 0.00 -0.94 0.00 0.00 52.86 52.86 1kzw s ASN 71 Cb -0.08 0.45 0.04 0.00 -2.00 0.00 0.00 41.25 39.66 1kzw s ASN 71 CO 0.30 -0.16 2.52 0.18 -2.94 0.00 0.00 177.10 177.00 1kzw n LEU 72 N 4.04 7.98 0.00 3.54 4.77 -1.26 -4.87 117.00 131.20 1kzw n LEU 72 Ca -0.23 -4.56 0.00 0.00 -0.03 0.00 0.00 56.01 51.19 1kzw n LEU 72 Cb 0.54 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1kzw n LEU 72 CO 0.14 1.85 0.00 0.00 -1.33 0.00 0.00 177.39 178.05 1kzw n ALA 73 N 3.32 0.00 -1.20 -1.18 0.00 -1.26 -4.59 120.51 115.60 1kzw n ALA 73 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1kzw n ALA 73 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 0.12 0.00 -2.69 0.00 2.03 -1.26 -4.64 116.55 110.11 1kzw n ASP 74 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1kzw n ASP 74 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 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 2.79 -1.37 3.03 0.27 0.00 -1.26 -5.10 105.19 103.56 1kzw n GLY 75 Ca 0.00 0.93 -0.13 0.00 0.00 0.00 0.00 46.02 46.82 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 0.57 -0.27 0.04 2.61 2.01 -1.26 -5.06 115.64 114.27 1kzw s THR 76 Ca 0.26 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 1kzw s THR 76 Cb 0.16 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 1kzw s THR 76 CO -0.11 0.09 1.03 -1.61 -0.69 0.00 0.00 174.62 173.34 1kzw s GLU 77 N 1.97 4.55 -0.19 4.92 2.02 -1.26 -4.06 118.70 126.64 1kzw s GLU 77 Ca -0.03 1.52 -0.02 0.00 0.02 0.00 0.00 54.97 56.47 1kzw s GLU 77 Cb -0.11 -3.41 0.05 0.00 0.10 0.00 0.00 34.13 30.76 1kzw s GLU 77 CO -0.09 -0.06 -0.00 -0.51 0.02 0.00 0.00 175.26 174.62 1kzw s LEU 78 N 0.83 1.54 -0.36 1.80 1.43 -0.07 -1.53 118.68 122.32 1kzw s LEU 78 Ca 0.53 -0.83 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 1kzw s LEU 78 Cb -0.24 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.22 1kzw s LEU 78 CO 0.29 -0.26 0.82 0.00 0.23 0.00 0.00 176.35 177.42 1kzw s ARG 79 N 1.72 3.78 0.00 1.70 1.70 0.34 -0.27 118.95 127.91 1kzw s ARG 79 Ca -0.01 0.38 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 1kzw s ARG 79 Cb -0.17 -3.80 0.00 0.00 -0.57 0.00 0.00 34.95 30.41 1kzw s ARG 79 CO -0.07 -0.86 0.00 0.41 -1.08 0.00 0.00 175.30 173.69 1kzw n GLY 80 N 4.48 -0.87 3.95 3.88 0.00 -0.60 -1.11 105.19 114.92 1kzw n GLY 80 Ca 0.04 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 3.75 -0.24 2.61 -4.23 -1.25 -0.96 115.64 113.33 1kzw s THR 81 Ca 0.00 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1kzw s THR 81 Cb 0.00 -3.41 0.06 0.00 1.34 0.00 0.00 72.50 70.50 1kzw s THR 81 CO 0.00 -0.30 -0.02 0.26 -0.54 0.00 0.00 174.62 174.01 1kzw s TRP 82 N -2.65 2.20 -0.14 3.99 0.52 -1.26 -4.03 118.94 117.57 1kzw s TRP 82 Ca 0.50 -1.68 -0.07 0.00 0.02 0.00 0.00 56.10 54.87 1kzw s TRP 82 Cb -0.10 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1kzw s TRP 82 CO 0.39 -0.77 0.13 -1.12 0.02 0.00 0.00 176.95 175.61 1kzw s SER 83 N 1.46 6.29 -0.84 2.95 0.01 -0.04 -1.66 113.70 121.87 1kzw s SER 83 Ca -0.03 0.39 -0.22 0.00 1.31 0.00 0.00 55.95 57.40 1kzw s SER 83 Cb -0.18 -2.05 0.08 0.00 0.21 0.00 0.00 66.02 64.07 1kzw s SER 83 CO -0.08 0.35 1.18 -0.22 0.41 0.00 0.00 173.24 174.88 1kzw s LEU 84 N -0.67 4.17 -1.27 2.44 2.96 -1.26 -1.12 118.68 123.94 1kzw s LEU 84 Ca 0.13 -1.32 -0.16 0.00 -0.22 0.00 0.00 54.13 52.57 1kzw s LEU 84 Cb -0.12 -2.47 0.12 0.00 0.50 0.00 0.00 46.19 44.22 1kzw s LEU 84 CO 0.02 -1.41 1.64 1.21 -1.32 0.00 0.00 176.35 176.49 1kzw n GLU 85 N 7.92 3.27 0.00 1.98 2.13 0.52 -4.84 120.64 131.62 1kzw n GLU 85 Ca 0.14 -3.50 0.00 0.00 0.66 0.00 0.00 57.16 54.46 1kzw n GLU 85 Cb 0.48 -3.27 0.00 0.00 0.27 0.00 0.00 31.44 28.92 1kzw n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kzw n GLY 86 N 4.68 1.76 2.57 8.31 0.00 -1.26 -3.03 105.19 118.22 1kzw n GLY 86 Ca 0.44 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 46.30 1kzw n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kzw n ASN 87 N 6.20 3.05 -3.67 1.61 2.85 -1.26 -5.06 115.26 118.98 1kzw n ASN 87 Ca 0.00 -3.37 -0.09 0.00 -0.11 0.00 0.00 54.58 51.01 1kzw n ASN 87 Cb 0.00 -0.61 -0.10 0.00 1.24 0.00 0.00 39.78 40.31 1kzw n ASN 87 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1kzw s LYS 88 N -2.75 0.38 -0.54 1.20 1.02 -1.17 -4.39 119.74 113.50 1kzw s LYS 88 Ca 0.43 0.94 -0.21 0.00 0.02 0.00 0.00 55.97 57.15 1kzw s LYS 88 Cb 0.25 0.17 0.05 0.00 -0.52 0.00 0.00 37.83 37.78 1kzw s LYS 88 CO -0.09 -0.20 0.77 -0.51 -0.92 0.00 0.00 175.35 174.40 1kzw s LEU 89 N 2.00 4.60 -0.21 3.17 1.43 -0.53 -0.35 118.68 128.79 1kzw s LEU 89 Ca -0.06 -0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1kzw s LEU 89 Cb -0.10 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1kzw s LEU 89 CO -0.13 -1.06 0.06 -0.51 0.23 0.00 0.00 176.35 174.93 1kzw s ILE 90 N 3.24 4.51 -0.09 -0.59 2.07 -0.27 -1.22 121.20 128.85 1kzw s ILE 90 Ca 0.21 -0.12 -0.01 0.00 -1.41 0.00 0.00 60.65 59.32 1kzw s ILE 90 Cb -0.17 -3.06 0.03 0.00 0.13 0.00 0.00 42.46 39.40 1kzw s ILE 90 CO 0.15 0.41 -0.00 -0.83 -1.91 0.00 0.00 174.94 172.75 1kzw s GLY 91 N 0.91 0.55 -0.59 1.50 0.00 -0.30 -0.86 107.32 108.53 1kzw s GLY 91 Ca 0.03 -0.26 -0.19 0.00 0.00 0.00 0.00 44.72 44.31 1kzw s GLY 91 CO 0.03 1.14 0.69 0.54 0.00 0.00 0.00 173.10 175.49 1kzw s LYS 92 N 1.92 3.04 -0.38 2.90 3.01 -1.26 -0.62 119.74 128.36 1kzw s LYS 92 Ca 0.04 -1.37 -0.08 0.00 -1.01 0.00 0.00 55.97 53.55 1kzw s LYS 92 Cb -0.13 -4.27 0.06 0.00 -1.01 0.00 0.00 37.83 32.47 1kzw s LYS 92 CO -0.06 -1.52 0.19 -0.06 0.51 0.00 0.00 175.35 174.41 1kzw s PHE 93 N 2.57 3.31 -0.00 3.18 0.08 -1.04 -3.83 117.98 122.24 1kzw s PHE 93 Ca 0.11 -1.44 -0.18 0.00 0.12 0.00 0.00 56.93 55.53 1kzw s PHE 93 Cb -0.25 -2.65 -0.06 0.00 -0.57 0.00 0.00 43.02 39.50 1kzw s PHE 93 CO 0.06 -0.78 0.53 0.15 -0.10 0.00 0.00 175.22 175.07 1kzw s LYS 94 N 1.42 4.20 -0.06 0.44 3.01 -0.27 -0.17 119.74 128.31 1kzw s LYS 94 Ca 0.01 0.61 -0.30 0.00 -1.01 0.00 0.00 55.97 55.29 1kzw s LYS 94 Cb -0.21 -3.30 -0.03 0.00 -1.01 0.00 0.00 37.83 33.27 1kzw s LYS 94 CO 0.03 0.48 1.20 1.03 0.51 0.00 0.00 175.35 178.60 1kzw s ARG 95 N -0.50 4.34 -1.56 1.68 0.52 -1.13 -0.51 118.95 121.79 1kzw s ARG 95 Ca 0.28 1.67 -0.11 0.00 -0.52 0.00 0.00 55.73 57.05 1kzw s ARG 95 Cb -0.18 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 1kzw s ARG 95 CO 0.16 -0.46 2.73 0.25 0.02 0.00 0.00 175.30 177.99 1kzw n THR 96 N 4.67 4.17 0.00 0.02 -2.24 -0.58 -1.29 114.28 119.02 1kzw n THR 96 Ca 0.11 -2.83 0.00 0.00 -2.27 0.00 0.00 64.05 59.06 1kzw n THR 96 Cb 0.46 -2.58 0.00 0.00 -2.10 0.00 0.00 70.33 66.11 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 4.10 0.00 0.00 3.42 -0.08 -1.26 -4.92 116.55 117.81 1kzw n ASP 97 Ca 0.70 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.98 1kzw n ASP 97 Cb 0.27 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.73 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 0.00 3.92 0.00 1.67 2.85 -1.10 -5.08 115.26 117.53 1kzw n ASN 98 Ca 0.00 -0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1kzw n ASN 98 Cb 0.00 0.93 0.00 0.00 1.24 0.00 0.00 39.78 41.95 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 2.10 2.29 3.76 8.20 0.00 -0.41 -4.93 105.19 116.20 1kzw n GLY 99 Ca 0.00 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 0.21 6.97 -0.06 1.61 0.01 -1.26 -4.12 114.94 118.29 1kzw s ASN 100 Ca 0.00 2.52 -0.28 0.00 -0.71 0.00 0.00 52.86 54.39 1kzw s ASN 100 Cb 0.00 -2.64 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 1kzw s ASN 100 CO 0.00 -0.38 0.92 -1.83 -1.51 0.00 0.00 177.10 174.30 1kzw s GLU 101 N -1.64 4.47 -0.84 -0.60 1.03 -1.26 -2.85 118.70 117.00 1kzw s GLU 101 Ca 0.47 1.26 -0.07 0.00 0.03 0.00 0.00 54.97 56.67 1kzw s GLU 101 Cb -0.37 -3.49 0.21 0.00 -0.80 0.00 0.00 34.13 29.69 1kzw s GLU 101 CO 0.48 -0.13 0.74 -1.17 -1.33 0.00 0.00 175.26 173.86 1kzw s LEU 102 N 1.36 5.93 -0.47 1.83 0.20 0.76 -4.00 118.68 124.29 1kzw s LEU 102 Ca 0.47 -3.20 -0.28 0.00 0.69 0.00 0.00 54.13 51.81 1kzw s LEU 102 Cb -0.19 -2.03 0.03 0.00 -0.43 0.00 0.00 46.19 43.57 1kzw s LEU 102 CO 0.22 -0.35 1.09 0.54 -0.29 0.00 0.00 176.35 177.55 1kzw s ASN 103 N 0.95 6.62 -0.28 3.68 2.20 -0.41 -2.49 114.94 125.20 1kzw s ASN 103 Ca 0.23 0.42 -0.02 0.00 -0.94 0.00 0.00 52.86 52.54 1kzw s ASN 103 Cb -0.12 -2.53 0.04 0.00 -2.00 0.00 0.00 41.25 36.64 1kzw s ASN 103 CO -0.08 -1.19 -0.01 -0.89 -2.94 0.00 0.00 177.10 171.98 1kzw s THR 104 N 4.27 3.06 -0.47 0.54 2.01 0.21 -1.41 115.64 123.85 1kzw s THR 104 Ca 0.45 -1.19 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 1kzw s THR 104 Cb -0.08 -2.67 0.09 0.00 0.01 0.00 0.00 72.50 69.85 1kzw s THR 104 CO 0.30 0.01 0.37 -0.69 -0.69 0.00 0.00 174.62 173.92 1kzw s VAL 105 N 1.30 4.87 -0.23 3.82 1.01 -0.38 -1.14 120.40 129.65 1kzw s VAL 105 Ca -0.03 -1.28 -0.24 0.00 0.00 0.00 0.00 61.98 60.43 1kzw s VAL 105 Cb -0.18 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1kzw s VAL 105 CO -0.02 -0.62 0.79 -0.13 0.00 0.00 0.00 175.10 175.13 1kzw s ARG 106 N 1.55 4.19 0.07 2.72 0.52 -0.35 -0.85 118.95 126.80 1kzw s ARG 106 Ca 0.04 0.89 -0.10 0.00 -0.52 0.00 0.00 55.73 56.03 1kzw s ARG 106 Cb -0.25 -3.63 0.01 0.00 0.52 0.00 0.00 34.95 31.59 1kzw s ARG 106 CO 0.04 -0.47 0.22 -1.83 0.02 0.00 0.00 175.30 173.29 1kzw s GLU 107 N 2.66 0.81 -0.30 3.54 -1.05 -0.66 -1.46 118.70 122.25 1kzw s GLU 107 Ca 0.34 -0.79 -0.17 0.00 -0.15 0.00 0.00 54.97 54.20 1kzw s GLU 107 Cb -0.15 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.85 1kzw s GLU 107 CO 0.08 -0.26 0.45 0.42 0.95 0.00 0.00 175.26 176.91 1kzw s ILE 108 N -3.34 5.10 -1.29 1.83 -1.09 -1.26 -0.32 121.20 120.84 1kzw s ILE 108 Ca 0.01 0.55 -0.10 0.00 -2.23 0.00 0.00 60.65 58.87 1kzw s ILE 108 Cb 0.02 -3.82 0.16 0.00 -1.58 0.00 0.00 42.46 37.24 1kzw s ILE 108 CO -0.08 0.01 1.86 0.00 -1.23 0.00 0.00 174.94 175.50 1kzw n ILE 109 N 5.23 4.28 0.00 2.92 3.06 0.36 -4.86 119.36 130.35 1kzw n ILE 109 Ca -0.06 -4.34 0.00 0.00 -2.50 0.00 0.00 62.75 55.85 1kzw n ILE 109 Cb 0.50 -2.38 0.00 0.00 0.54 0.00 0.00 39.64 38.30 1kzw n ILE 109 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1kzw n GLY 110 N 3.01 1.85 0.07 4.50 0.00 -1.26 -3.56 105.19 109.79 1kzw n GLY 110 Ca 0.40 0.20 -0.08 0.00 0.00 0.00 0.00 46.02 46.55 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 3.86 2.22 -4.87 1.61 5.75 -1.26 -4.77 116.55 119.09 1kzw n ASP 111 Ca 0.00 -0.03 -0.34 0.00 -0.01 0.00 0.00 54.79 54.41 1kzw n ASP 111 Cb 0.00 0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 40.46 1kzw n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1kzw s GLU 112 N -2.31 3.76 -0.33 0.11 2.02 -1.23 -4.63 118.70 116.08 1kzw s GLU 112 Ca -0.12 0.16 -0.23 0.00 0.02 0.00 0.00 54.97 54.80 1kzw s GLU 112 Cb 0.04 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.34 1kzw s GLU 112 CO 0.46 0.52 0.79 -1.17 0.02 0.00 0.00 175.26 175.88 1kzw s LEU 113 N -2.10 4.10 -0.33 1.80 2.96 -0.32 -0.49 118.68 124.30 1kzw s LEU 113 Ca 0.36 0.53 -0.14 0.00 -0.22 0.00 0.00 54.13 54.65 1kzw s LEU 113 Cb -0.13 -3.06 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 1kzw s LEU 113 CO 0.19 -0.67 0.32 0.68 -1.32 0.00 0.00 176.35 175.55 1kzw s VAL 114 N 3.04 5.21 -0.54 1.68 -7.23 0.56 -0.24 120.40 122.88 1kzw s VAL 114 Ca 0.32 0.01 -0.17 0.00 -1.81 0.00 0.00 61.98 60.32 1kzw s VAL 114 Cb -0.14 -3.77 0.10 0.00 0.56 0.00 0.00 36.38 33.13 1kzw s VAL 114 CO 0.15 -0.04 0.57 -1.58 -0.31 0.00 0.00 175.10 173.89 1kzw s GLN 115 N 1.92 3.02 -0.49 4.82 0.74 0.14 -1.65 119.66 128.16 1kzw s GLN 115 Ca 0.10 -1.40 -0.19 0.00 0.05 0.00 0.00 55.36 53.93 1kzw s GLN 115 Cb -0.17 -4.23 0.06 0.00 1.10 0.00 0.00 33.01 29.77 1kzw s GLN 115 CO 0.11 -1.33 0.59 0.99 -0.55 0.00 0.00 175.29 175.09 1kzw s THR 116 N 2.12 4.93 -0.37 -0.34 2.01 -0.03 -1.60 115.64 122.37 1kzw s THR 116 Ca 0.08 -0.54 -0.19 0.00 0.31 0.00 0.00 61.69 61.35 1kzw s THR 116 Cb -0.25 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.00 1kzw s THR 116 CO 0.06 -0.75 0.56 -0.31 -0.69 0.00 0.00 174.62 173.49 1kzw s TYR 117 N 2.48 3.15 -0.28 4.92 2.02 0.62 -1.25 117.35 129.01 1kzw s TYR 117 Ca 0.14 0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.96 1kzw s TYR 117 Cb -0.20 -3.04 0.03 0.00 -0.40 0.00 0.00 41.96 38.36 1kzw s TYR 117 CO 0.12 -0.62 0.00 0.08 -1.57 0.00 0.00 175.55 173.56 1kzw s VAL 118 N 2.52 3.19 -0.42 0.71 1.01 -0.50 -1.28 120.40 125.64 1kzw s VAL 118 Ca 0.20 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1kzw s VAL 118 Cb -0.15 -2.73 0.12 0.00 0.00 0.00 0.00 36.38 33.62 1kzw s VAL 118 CO 0.15 0.03 0.17 -0.47 0.00 0.00 0.00 175.10 174.97 1kzw s TYR 119 N 1.34 2.99 -1.24 5.22 5.04 -0.94 -1.28 117.35 128.47 1kzw s TYR 119 Ca -0.02 -2.82 -0.10 0.00 -2.44 0.00 0.00 57.07 51.69 1kzw s TYR 119 Cb -0.18 -2.56 -0.01 0.00 0.35 0.00 0.00 41.96 39.56 1kzw s TYR 119 CO -0.01 -0.83 0.68 0.39 -1.34 0.00 0.00 175.55 174.44 1kzw n GLU 120 N 3.76 -2.62 0.00 4.97 -0.58 -1.26 -2.93 120.64 121.98 1kzw n GLU 120 Ca 0.04 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 1kzw n GLU 120 Cb 0.37 -4.55 0.00 0.00 -0.57 0.00 0.00 31.44 26.69 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 -1.71 3.00 3.62 0.62 0.00 -1.26 -5.07 105.19 104.38 1kzw n GLY 121 Ca -0.19 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.01 4.12 -0.32 1.61 0.11 -1.15 -5.01 120.40 119.75 1kzw s VAL 122 Ca 0.00 1.23 -0.19 0.00 -2.93 0.00 0.00 61.98 60.09 1kzw s VAL 122 Cb 0.00 -4.24 -0.01 0.00 -1.53 0.00 0.00 36.38 30.60 1kzw s VAL 122 CO 0.00 -0.60 0.56 -0.70 -3.33 0.00 0.00 175.10 171.02 1kzw s GLU 123 N 4.34 3.82 -0.05 1.54 2.12 -1.26 -2.22 118.70 126.99 1kzw s GLU 123 Ca 0.56 0.11 0.03 0.00 0.36 0.00 0.00 54.97 56.02 1kzw s GLU 123 Cb -0.14 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 1kzw s GLU 123 CO 0.26 -0.56 -0.13 0.00 -0.54 0.00 0.00 175.26 174.29 1kzw s ALA 124 N 2.46 2.72 -0.26 6.30 0.00 -0.40 -4.77 121.76 127.82 1kzw s ALA 124 Ca 0.22 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1kzw s ALA 124 Cb -0.15 -1.02 0.06 0.00 0.00 0.00 0.00 23.12 22.00 1kzw s ALA 124 CO 0.12 0.55 -0.11 0.15 0.00 0.00 0.00 175.76 176.47 1kzw s LYS 125 N -0.72 2.23 -0.48 0.00 1.02 -0.29 -0.28 119.74 121.22 1kzw s LYS 125 Ca 0.11 -1.32 -0.22 0.00 0.02 0.00 0.00 55.97 54.56 1kzw s LYS 125 Cb -0.11 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1kzw s LYS 125 CO 0.01 -0.56 0.78 1.03 -0.92 0.00 0.00 175.35 175.69 1kzw s ARG 126 N 1.12 3.33 -0.24 1.68 0.52 -0.63 -0.60 118.95 124.14 1kzw s ARG 126 Ca -0.08 -0.28 -0.20 0.00 -0.52 0.00 0.00 55.73 54.65 1kzw s ARG 126 Cb -0.20 -3.99 -0.02 0.00 0.52 0.00 0.00 34.95 31.26 1kzw s ARG 126 CO -0.05 -1.20 0.60 0.42 0.02 0.00 0.00 175.30 175.09 1kzw s ILE 127 N 3.29 5.01 -0.13 1.52 1.09 -0.78 -0.69 121.20 130.51 1kzw s ILE 127 Ca 0.27 1.08 -0.02 0.00 -1.10 0.00 0.00 60.65 60.88 1kzw s ILE 127 Cb -0.13 -3.91 -0.02 0.00 -1.06 0.00 0.00 42.46 37.33 1kzw s ILE 127 CO 0.20 0.06 -0.07 -0.36 -0.10 0.00 0.00 174.94 174.68 1kzw s PHE 128 N 2.31 2.96 0.22 3.97 0.40 0.67 -0.64 117.98 127.85 1kzw s PHE 128 Ca 0.25 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 56.16 1kzw s PHE 128 Cb -0.16 -1.88 -0.07 0.00 0.51 0.00 0.00 43.02 41.42 1kzw s PHE 128 CO 0.09 -0.01 0.56 0.21 0.70 0.00 0.00 175.22 176.77 1kzw s LYS 129 N 0.14 3.84 -0.41 0.44 2.47 0.11 -1.18 119.74 125.16 1kzw s LYS 129 Ca -0.03 0.33 -0.28 0.00 -1.56 0.00 0.00 55.97 54.44 1kzw s LYS 129 Cb -0.14 -2.69 -0.02 0.00 -1.46 0.00 0.00 37.83 33.52 1kzw s LYS 129 CO 0.03 0.34 1.83 0.21 0.16 0.00 0.00 175.35 177.93 1kzw s LYS 130 N -2.66 3.10 0.00 4.03 2.47 -1.26 -0.99 119.74 124.43 1kzw s LYS 130 Ca 0.46 1.21 0.00 0.00 -1.56 0.00 0.00 55.97 56.08 1kzw s LYS 130 Cb -0.12 -4.26 0.00 0.00 -1.46 0.00 0.00 37.83 31.99 1kzw s LYS 130 CO 0.21 -2.14 0.00 -3.47 0.16 0.00 0.00 175.35 170.11