#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 -2.42 0.00 3.72 -1.26 -4.88 117.46 112.62 1kzw n PHE 2 Ca 0.00 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 1kzw n PHE 2 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 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 6.23 0.09 4.37 1.01 -1.26 -4.53 116.67 122.59 1kzw s ASP 3 Ca 0.00 -1.97 -0.26 0.00 0.71 0.00 0.00 52.55 51.03 1kzw s ASP 3 Cb 0.00 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.44 1kzw s ASP 3 CO 0.00 -1.79 1.11 -0.44 0.21 0.00 0.00 175.17 174.25 1kzw s SER 4 N 5.16 -0.08 -0.38 0.27 0.01 -1.15 -4.92 113.70 112.62 1kzw s SER 4 Ca 0.57 -0.37 -0.26 0.00 1.31 0.00 0.00 55.95 57.20 1kzw s SER 4 Cb 0.01 0.36 0.02 0.00 0.21 0.00 0.00 66.02 66.62 1kzw s SER 4 CO 0.06 -0.69 0.95 -0.89 0.41 0.00 0.00 173.24 173.08 1kzw s THR 5 N -2.66 4.55 -0.24 1.44 2.01 -1.26 -2.19 115.64 117.29 1kzw s THR 5 Ca 0.17 1.20 0.01 0.00 0.31 0.00 0.00 61.69 63.37 1kzw s THR 5 Cb 0.00 -4.36 0.04 0.00 0.01 0.00 0.00 72.50 68.19 1kzw s THR 5 CO 0.01 -0.58 -0.10 0.26 -0.69 0.00 0.00 174.62 173.51 1kzw s TRP 6 N 3.56 3.10 -0.07 4.92 0.52 -0.02 -0.79 118.94 130.17 1kzw s TRP 6 Ca 0.39 -1.90 -0.00 0.00 0.02 0.00 0.00 56.10 54.60 1kzw s TRP 6 Cb -0.12 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.19 1kzw s TRP 6 CO 0.20 -0.81 -0.02 0.21 0.02 0.00 0.00 176.95 176.54 1kzw s LYS 7 N 1.22 2.86 -0.01 4.98 2.20 0.07 -0.40 119.74 130.67 1kzw s LYS 7 Ca -0.03 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 1kzw s LYS 7 Cb -0.17 -2.70 -0.08 0.00 -1.51 0.00 0.00 37.83 33.37 1kzw s LYS 7 CO -0.06 0.68 1.89 0.54 -0.36 0.00 0.00 175.35 178.03 1kzw s VAL 8 N -0.89 3.19 -0.19 4.02 0.11 -0.91 -0.95 120.40 124.79 1kzw s VAL 8 Ca 0.14 0.23 -0.16 0.00 -2.93 0.00 0.00 61.98 59.26 1kzw s VAL 8 Cb -0.11 -3.16 -0.12 0.00 -1.53 0.00 0.00 36.38 31.46 1kzw s VAL 8 CO 0.03 -0.03 -0.01 -0.67 -3.33 0.00 0.00 175.10 171.09 1kzw n ASP 9 N 7.73 1.85 -3.68 3.54 2.03 0.12 -4.88 116.55 123.27 1kzw n ASP 9 Ca 0.20 0.49 -0.12 0.00 0.52 0.00 0.00 54.79 55.88 1kzw n ASP 9 Cb 0.42 -0.91 -0.12 0.00 -0.72 0.00 0.00 41.12 39.79 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 -2.36 0.21 -0.29 -0.67 1.70 -1.17 -5.03 118.95 111.35 1kzw s ARG 10 Ca -0.24 0.77 -0.06 0.00 -0.47 0.00 0.00 55.73 55.72 1kzw s ARG 10 Cb 0.05 0.02 0.01 0.00 -0.57 0.00 0.00 34.95 34.46 1kzw s ARG 10 CO 0.43 -0.24 0.07 -1.12 -1.08 0.00 0.00 175.30 173.36 1kzw s SER 11 N 2.14 5.06 -0.31 -2.89 0.01 -1.26 -1.65 113.70 114.80 1kzw s SER 11 Ca -0.02 -0.70 -0.05 0.00 1.31 0.00 0.00 55.95 56.48 1kzw s SER 11 Cb -0.11 -1.86 0.03 0.00 0.21 0.00 0.00 66.02 64.28 1kzw s SER 11 CO -0.10 -0.18 0.06 -1.61 0.41 0.00 0.00 173.24 171.82 1kzw s GLU 12 N 1.49 2.73 -1.39 12.44 2.02 -0.88 -4.50 118.70 130.61 1kzw s GLU 12 Ca 0.03 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.93 1kzw s GLU 12 Cb -0.17 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1kzw s GLU 12 CO 0.02 -0.57 0.00 -1.71 0.02 0.00 0.00 175.26 173.02 1kzw n ASN 13 N 4.77 -4.65 -0.02 -0.19 5.15 -1.26 -1.32 115.26 117.74 1kzw n ASN 13 Ca -0.14 0.32 -0.14 0.00 -0.60 0.00 0.00 54.58 54.03 1kzw n ASN 13 Cb 0.45 -3.30 -0.02 0.00 -0.53 0.00 0.00 39.78 36.38 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 0.92 0.00 1.20 3.20 -1.89 -2.47 116.97 117.93 1kzw h TYR 14 Ca -0.27 -0.38 -0.01 0.00 3.14 0.00 0.00 58.73 61.21 1kzw h TYR 14 Cb 0.88 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 1kzw h TYR 14 CO 0.38 1.18 -0.07 0.38 -1.64 0.00 0.00 178.16 178.39 1kzw h ASP 15 N 0.51 0.00 0.13 -2.11 3.04 -1.93 -1.00 116.42 115.06 1kzw h ASP 15 Ca -0.02 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.76 1kzw h ASP 15 Cb 1.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 1kzw h ASP 15 CO 0.14 0.07 -0.06 0.50 -2.04 0.00 0.00 179.24 177.84 1kzw h LYS 16 N 0.00 -0.17 -0.80 4.15 3.11 -1.96 -1.97 116.57 118.93 1kzw h LYS 16 Ca -0.00 0.01 0.13 0.00 -2.81 0.00 0.00 60.65 57.98 1kzw h LYS 16 Cb 0.13 0.04 -0.14 0.00 -1.00 0.00 0.00 32.23 31.26 1kzw h LYS 16 CO 0.01 0.30 -0.36 0.35 -2.81 0.00 0.00 179.45 176.94 1kzw h PHE 17 N -0.79 -0.99 0.00 1.91 3.04 -1.49 -2.26 116.94 116.37 1kzw h PHE 17 Ca -0.02 0.09 -0.04 0.00 3.98 0.00 0.00 57.97 61.98 1kzw h PHE 17 Cb 0.54 0.55 -0.01 0.00 2.56 0.00 0.00 35.95 39.60 1kzw h PHE 17 CO 0.09 -0.39 -0.19 0.52 -2.02 0.00 0.00 178.31 176.32 1kzw h MET 18 N -0.08 0.00 -0.72 1.11 2.86 -1.28 -2.56 114.93 114.26 1kzw h MET 18 Ca 0.30 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.87 1kzw h MET 18 Cb 0.58 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1kzw h MET 18 CO -0.84 0.19 0.19 1.49 1.06 0.00 0.00 176.91 179.00 1kzw h GLU 19 N 0.00 1.14 -0.19 1.72 4.57 -0.80 -2.58 114.58 118.45 1kzw h GLU 19 Ca -0.00 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 57.88 1kzw h GLU 19 Cb 0.42 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1kzw h GLU 19 CO 0.03 0.99 -0.05 -0.22 -1.18 0.00 0.00 179.01 178.58 1kzw h LYS 20 N 1.09 0.28 0.00 1.92 3.64 -1.27 -3.11 116.57 119.12 1kzw h LYS 20 Ca 0.23 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1kzw h LYS 20 Cb 0.36 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1kzw h LYS 20 CO -0.00 0.35 0.00 -1.33 -2.27 0.00 0.00 179.45 176.19 1kzw n MET 21 N -4.33 0.21 -1.41 1.90 2.81 -0.98 -5.00 117.12 110.31 1kzw n MET 21 Ca -0.00 0.33 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 1kzw n MET 21 Cb 0.22 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 1kzw n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1kzw n GLY 22 N 0.53 0.75 3.21 3.03 0.00 -0.99 -5.09 105.19 106.63 1kzw n GLY 22 Ca 0.04 -0.38 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1kzw n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kzw s VAL 23 N -2.79 1.55 0.52 1.61 0.11 -1.19 -5.08 120.40 115.13 1kzw s VAL 23 Ca 0.00 -0.99 -0.22 0.00 -2.93 0.00 0.00 61.98 57.84 1kzw s VAL 23 Cb 0.00 -1.32 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 1kzw s VAL 23 CO 0.00 0.30 1.32 0.20 -3.33 0.00 0.00 175.10 173.60 1kzw s ASN 24 N -0.81 5.47 0.27 3.54 0.01 -1.26 -4.62 114.94 117.54 1kzw s ASN 24 Ca 0.07 2.69 -0.03 0.00 -0.71 0.00 0.00 52.86 54.88 1kzw s ASN 24 Cb -0.08 -2.63 0.57 0.00 0.41 0.00 0.00 41.25 39.52 1kzw s ASN 24 CO 0.00 -1.43 1.62 -0.29 -1.51 0.00 0.00 177.10 175.49 1kzw h ILE 25 N 1.57 0.23 0.48 0.60 -0.00 -2.01 0.26 117.51 118.64 1kzw h ILE 25 Ca -0.51 -0.03 -0.02 0.00 -0.00 0.00 0.00 64.86 64.31 1kzw h ILE 25 Cb 1.29 0.13 -0.02 0.00 -0.00 0.00 0.00 36.82 38.22 1kzw h ILE 25 CO 0.58 0.02 -0.43 0.58 -0.00 0.00 0.00 178.15 178.89 1kzw h VAL 26 N 0.09 0.00 -0.73 2.19 2.07 -1.99 -1.17 116.25 116.70 1kzw h VAL 26 Ca 0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.02 1kzw h VAL 26 Cb 0.94 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1kzw h VAL 26 CO -0.75 0.00 0.47 0.11 0.02 0.00 0.00 177.57 177.42 1kzw h LYS 27 N -0.90 0.97 -0.22 1.57 1.79 -1.84 -2.00 116.57 115.94 1kzw h LYS 27 Ca -0.06 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1kzw h LYS 27 Cb 0.77 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1kzw h LYS 27 CO -0.03 0.65 0.11 -0.09 -1.08 0.00 0.00 179.45 179.02 1kzw h ARG 28 N 0.99 0.23 -0.53 3.15 2.43 -0.52 0.11 114.38 120.24 1kzw h ARG 28 Ca 0.27 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1kzw h ARG 28 Cb -0.09 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1kzw h ARG 28 CO -0.06 0.15 -0.05 0.87 -1.51 0.00 0.00 179.97 179.38 1kzw h LYS 29 N 0.23 0.93 -0.22 0.20 1.79 -1.24 -2.30 116.57 115.97 1kzw h LYS 29 Ca 0.09 -0.30 -0.06 0.00 -2.18 0.00 0.00 60.65 58.20 1kzw h LYS 29 Cb 0.02 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 1kzw h LYS 29 CO -0.06 0.95 -0.15 -0.07 -1.08 0.00 0.00 179.45 179.04 1kzw h LEU 30 N 0.85 0.35 -0.81 2.94 3.38 -1.31 0.33 115.31 121.03 1kzw h LEU 30 Ca 0.15 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1kzw h LEU 30 Cb 0.56 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1kzw h LEU 30 CO 0.03 0.53 -0.48 0.00 0.09 0.00 0.00 178.44 178.61 1kzw h ALA 31 N 1.51 0.99 0.72 1.53 0.00 -0.74 -2.70 119.26 120.57 1kzw h ALA 31 Ca 0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1kzw h ALA 31 Cb 0.47 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1kzw h ALA 31 CO 0.03 0.65 -0.35 0.00 0.00 0.00 0.00 179.25 179.58 1kzw h ALA 32 N 1.29 -0.97 -0.83 0.00 0.00 -1.40 -3.37 119.26 113.98 1kzw h ALA 32 Ca 0.01 -0.21 -0.75 0.00 0.00 0.00 0.00 54.91 53.96 1kzw h ALA 32 Cb 0.93 0.38 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1kzw h ALA 32 CO 0.08 -1.04 2.15 0.72 0.00 0.00 0.00 179.25 181.15 1kzw n HIS 33 N -5.51 2.76 -0.09 0.00 -0.00 0.10 -4.77 115.22 107.71 1kzw n HIS 33 Ca -0.14 -2.79 -0.10 0.00 -0.00 0.00 0.00 57.72 54.68 1kzw n HIS 33 Cb 0.39 -1.88 -0.14 0.00 -0.00 0.00 0.00 29.99 28.36 1kzw n HIS 33 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1kzw n ASP 34 N 2.92 0.78 -2.87 0.41 2.03 -1.03 -4.74 116.55 114.06 1kzw n ASP 34 Ca 0.48 -0.02 -0.13 0.00 0.52 0.00 0.00 54.79 55.64 1kzw n ASP 34 Cb 0.31 0.73 0.07 0.00 -0.72 0.00 0.00 41.12 41.51 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 -2.76 -2.13 -4.55 1.67 3.02 -1.26 -2.11 115.26 107.13 1kzw n ASN 35 Ca -0.32 -0.48 -0.42 0.00 -0.03 0.00 0.00 54.58 53.33 1kzw n ASN 35 Cb 1.07 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 36.12 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 -5.34 4.27 -0.40 3.41 2.96 -1.26 -4.22 118.68 118.10 1kzw s LEU 36 Ca 0.01 0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.81 1kzw s LEU 36 Cb -0.00 -2.89 0.04 0.00 0.50 0.00 0.00 46.19 43.84 1kzw s LEU 36 CO 0.56 -0.77 0.26 -0.75 -1.32 0.00 0.00 176.35 174.33 1kzw s LYS 37 N 3.02 2.83 -0.49 1.98 2.20 0.59 -2.13 119.74 127.74 1kzw s LYS 37 Ca 0.27 -1.16 -0.15 0.00 -0.36 0.00 0.00 55.97 54.57 1kzw s LYS 37 Cb -0.13 -3.84 0.09 0.00 -1.51 0.00 0.00 37.83 32.44 1kzw s LYS 37 CO 0.19 -0.79 0.41 -0.51 -0.36 0.00 0.00 175.35 174.29 1kzw s LEU 38 N 1.57 5.74 -0.55 5.43 1.43 0.46 -1.27 118.68 131.48 1kzw s LEU 38 Ca 0.03 -1.43 -0.19 0.00 -1.03 0.00 0.00 54.13 51.51 1kzw s LEU 38 Cb -0.20 -2.18 0.08 0.00 0.03 0.00 0.00 46.19 43.92 1kzw s LEU 38 CO 0.07 -0.69 0.65 -0.89 0.23 0.00 0.00 176.35 175.71 1kzw s THR 39 N 1.63 4.87 -0.22 5.49 2.01 -0.69 -0.84 115.64 127.89 1kzw s THR 39 Ca 0.04 -0.79 -0.23 0.00 0.31 0.00 0.00 61.69 61.02 1kzw s THR 39 Cb -0.25 -4.38 -0.01 0.00 0.01 0.00 0.00 72.50 67.86 1kzw s THR 39 CO 0.06 -0.95 0.76 -0.63 -0.69 0.00 0.00 174.62 173.17 1kzw s ILE 40 N 2.58 4.91 -0.13 1.82 1.01 -0.93 -1.24 121.20 129.22 1kzw s ILE 40 Ca 0.12 1.45 -0.00 0.00 0.00 0.00 0.00 60.65 62.22 1kzw s ILE 40 Cb -0.22 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1kzw s ILE 40 CO 0.09 0.01 -0.09 0.42 0.00 0.00 0.00 174.94 175.36 1kzw s THR 41 N 2.42 1.16 0.01 2.92 -4.23 -0.66 -2.93 115.64 114.32 1kzw s THR 41 Ca 0.33 -0.40 -0.30 0.00 -1.18 0.00 0.00 61.69 60.14 1kzw s THR 41 Cb -0.16 -1.17 -0.05 0.00 1.34 0.00 0.00 72.50 72.47 1kzw s THR 41 CO 0.09 0.37 1.20 -1.58 -0.54 0.00 0.00 174.62 174.16 1kzw s GLN 42 N 1.65 4.40 -0.08 3.99 2.00 -1.26 -0.39 119.66 129.97 1kzw s GLN 42 Ca 0.05 1.72 0.08 0.00 -2.00 0.00 0.00 55.36 55.21 1kzw s GLN 42 Cb -0.13 -3.45 -0.12 0.00 0.80 0.00 0.00 33.01 30.11 1kzw s GLN 42 CO -0.09 -0.33 0.06 -1.91 -0.50 0.00 0.00 175.29 172.52 1kzw n GLU 43 N 4.50 2.13 0.00 1.67 4.07 0.53 -4.92 120.64 128.61 1kzw n GLU 43 Ca 0.10 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1kzw n GLU 43 Cb 0.46 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 1kzw n GLU 43 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1kzw n GLY 44 N 2.35 -0.68 5.00 8.31 0.00 -1.26 -4.85 105.19 114.05 1kzw n GLY 44 Ca -0.13 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.00 -4.58 1.61 2.85 -1.26 -4.97 115.26 108.90 1kzw n ASN 45 Ca 0.00 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.09 1kzw n ASN 45 Cb 0.00 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.06 1kzw n ASN 45 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1kzw n LYS 46 N 0.00 0.87 -3.92 1.20 5.02 -1.26 -4.40 118.16 115.67 1kzw n LYS 46 Ca 0.00 0.33 -0.35 0.00 -2.02 0.00 0.00 58.31 56.28 1kzw n LYS 46 Cb 0.00 -2.06 -0.14 0.00 -0.02 0.00 0.00 35.03 32.81 1kzw n LYS 46 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1kzw s PHE 47 N -1.53 3.09 -0.66 2.13 0.08 0.02 -0.35 117.98 120.77 1kzw s PHE 47 Ca 0.73 -1.47 -0.23 0.00 0.12 0.00 0.00 56.93 56.07 1kzw s PHE 47 Cb -0.44 -2.10 0.06 0.00 -0.57 0.00 0.00 43.02 39.98 1kzw s PHE 47 CO 0.50 -0.71 0.99 0.99 -0.10 0.00 0.00 175.22 176.89 1kzw s THR 48 N 1.35 4.27 -0.32 0.64 2.01 0.47 -1.88 115.64 122.19 1kzw s THR 48 Ca 0.00 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 1kzw s THR 48 Cb -0.17 -4.70 0.01 0.00 0.01 0.00 0.00 72.50 67.66 1kzw s THR 48 CO -0.03 -1.47 0.12 -0.69 -0.69 0.00 0.00 174.62 171.86 1kzw s VAL 49 N 4.22 4.14 -0.49 3.82 1.01 -0.50 -1.66 120.40 130.95 1kzw s VAL 49 Ca 0.24 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 1kzw s VAL 49 Cb -0.16 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.06 1kzw s VAL 49 CO 0.11 -0.01 1.01 -0.54 0.00 0.00 0.00 175.10 175.68 1kzw s LYS 50 N 1.51 3.56 -0.81 2.72 1.02 -0.38 -0.88 119.74 126.49 1kzw s LYS 50 Ca 0.02 0.23 -0.10 0.00 0.02 0.00 0.00 55.97 56.14 1kzw s LYS 50 Cb -0.18 -3.94 0.21 0.00 -0.52 0.00 0.00 37.83 33.40 1kzw s LYS 50 CO 0.04 -1.34 0.72 -1.21 -0.92 0.00 0.00 175.35 172.64 1kzw s GLU 51 N 4.08 3.38 -0.27 1.68 2.02 0.10 -1.71 118.70 127.98 1kzw s GLU 51 Ca 0.40 -2.60 -0.15 0.00 0.02 0.00 0.00 54.97 52.64 1kzw s GLU 51 Cb -0.09 -4.23 -0.04 0.00 0.10 0.00 0.00 34.13 29.86 1kzw s GLU 51 CO 0.27 -1.25 0.36 -1.12 0.02 0.00 0.00 175.26 173.53 1kzw s SER 52 N 1.56 6.24 0.20 -0.19 0.01 -0.40 -1.80 113.70 119.32 1kzw s SER 52 Ca 0.19 0.27 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 1kzw s SER 52 Cb -0.12 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 1kzw s SER 52 CO -0.08 -0.17 0.21 -0.94 0.41 0.00 0.00 173.24 172.67 1kzw s SER 53 N 1.62 0.11 0.50 2.44 1.04 -0.53 -0.30 113.70 118.58 1kzw s SER 53 Ca 0.14 -1.25 0.21 0.00 0.48 0.00 0.00 55.95 55.54 1kzw s SER 53 Cb -0.16 0.42 1.27 0.00 0.10 0.00 0.00 66.02 67.65 1kzw s SER 53 CO 0.10 -0.90 2.00 0.00 0.98 0.00 0.00 173.24 175.42 1kzw h ALA 54 N 2.56 2.31 0.00 5.32 0.00 -1.60 -3.18 119.26 124.67 1kzw h ALA 54 Ca -0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1kzw h ALA 54 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1kzw h ALA 54 CO 0.50 -0.44 -0.00 0.74 0.00 0.00 0.00 179.25 180.04 1kzw h PHE 55 N 0.13 -0.00 -2.08 0.00 -1.00 -1.87 -3.50 116.94 108.63 1kzw h PHE 55 Ca 0.25 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.96 1kzw h PHE 55 Cb 0.80 0.00 -0.19 0.00 3.61 0.00 0.00 35.95 40.16 1kzw h PHE 55 CO -0.00 0.87 0.15 -0.98 -1.61 0.00 0.00 178.31 176.74 1kzw s ARG 56 N -2.15 1.00 -0.47 1.51 1.70 -1.20 -5.12 118.95 114.21 1kzw s ARG 56 Ca -0.17 0.33 -0.12 0.00 -0.47 0.00 0.00 55.73 55.30 1kzw s ARG 56 Cb -0.03 0.47 0.10 0.00 -0.57 0.00 0.00 34.95 34.92 1kzw s ARG 56 CO 0.60 -0.29 0.37 -0.80 -1.08 0.00 0.00 175.30 174.10 1kzw s ASN 57 N -0.98 5.90 -0.15 -2.89 0.01 -1.26 -1.45 114.94 114.12 1kzw s ASN 57 Ca -0.10 -1.62 0.02 0.00 -0.71 0.00 0.00 52.86 50.45 1kzw s ASN 57 Cb -0.01 -2.09 0.01 0.00 0.41 0.00 0.00 41.25 39.57 1kzw s ASN 57 CO 0.08 -0.67 -0.20 0.27 -1.51 0.00 0.00 177.10 175.08 1kzw s ILE 58 N 1.50 2.22 -0.53 0.60 -4.36 -0.75 -4.93 121.20 114.95 1kzw s ILE 58 Ca 0.04 -0.92 -0.22 0.00 -0.26 0.00 0.00 60.65 59.30 1kzw s ILE 58 Cb -0.26 -1.91 0.05 0.00 1.25 0.00 0.00 42.46 41.60 1kzw s ILE 58 CO 0.03 0.54 0.79 -1.61 0.24 0.00 0.00 174.94 174.92 1kzw s GLU 59 N 0.93 3.22 -0.45 0.37 2.02 -1.26 -0.72 118.70 122.80 1kzw s GLU 59 Ca -0.04 -0.59 -0.14 0.00 0.02 0.00 0.00 54.97 54.22 1kzw s GLU 59 Cb -0.15 -4.08 0.07 0.00 0.10 0.00 0.00 34.13 30.07 1kzw s GLU 59 CO -0.04 -1.37 0.35 0.08 0.02 0.00 0.00 175.26 174.31 1kzw s VAL 60 N 3.31 5.01 -0.65 2.63 1.01 -0.06 -4.88 120.40 126.77 1kzw s VAL 60 Ca 0.23 -1.09 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1kzw s VAL 60 Cb -0.16 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.33 1kzw s VAL 60 CO 0.15 -0.53 0.84 -0.69 0.00 0.00 0.00 175.10 174.88 1kzw s VAL 61 N 1.60 4.62 -0.12 2.92 1.01 -1.26 -1.40 120.40 127.76 1kzw s VAL 61 Ca 0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1kzw s VAL 61 Cb -0.23 -4.59 -0.02 0.00 0.00 0.00 0.00 36.38 31.53 1kzw s VAL 61 CO 0.06 -1.29 -0.07 0.72 0.00 0.00 0.00 175.10 174.52 1kzw s PHE 62 N 3.22 2.94 0.26 5.22 -0.12 -0.79 -4.95 117.98 123.77 1kzw s PHE 62 Ca 0.17 -0.30 -0.20 0.00 -0.05 0.00 0.00 56.93 56.55 1kzw s PHE 62 Cb -0.20 -1.86 -0.09 0.00 -0.63 0.00 0.00 43.02 40.25 1kzw s PHE 62 CO 0.06 0.02 0.76 -2.00 -0.05 0.00 0.00 175.22 174.01 1kzw s GLU 63 N 0.05 4.25 -0.48 1.99 2.12 -1.26 -0.80 118.70 124.56 1kzw s GLU 63 Ca -0.02 0.90 -0.27 0.00 0.36 0.00 0.00 54.97 55.95 1kzw s GLU 63 Cb -0.14 -2.76 -0.05 0.00 0.26 0.00 0.00 34.13 31.44 1kzw s GLU 63 CO 0.03 0.32 2.18 -0.51 -0.54 0.00 0.00 175.26 176.74 1kzw s LEU 64 N -2.21 3.39 0.00 2.70 1.43 -1.26 -2.50 118.68 120.23 1kzw s LEU 64 Ca 0.47 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 1kzw s LEU 64 Cb -0.15 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1kzw s LEU 64 CO 0.20 -2.53 0.00 0.61 0.23 0.00 0.00 176.35 174.87 1kzw n GLY 65 N 5.84 0.46 3.75 -3.19 0.00 -0.92 -5.00 105.19 106.13 1kzw n GLY 65 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 3.91 -0.55 1.61 0.11 -1.04 -4.94 120.40 117.50 1kzw s VAL 66 Ca 0.00 1.91 -0.24 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 0.45 0.94 -0.89 -3.33 0.00 0.00 175.10 172.26 1kzw s THR 67 N -1.11 4.40 0.13 5.04 2.01 -1.26 -4.05 115.64 120.80 1kzw s THR 67 Ca 0.42 0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.75 1kzw s THR 67 Cb -0.28 -4.53 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 1kzw s THR 67 CO 0.35 -1.10 -0.10 0.72 -0.69 0.00 0.00 174.62 173.80 1kzw s PHE 68 N 3.92 1.20 -0.84 4.92 -0.71 -0.26 -4.79 117.98 121.43 1kzw s PHE 68 Ca 0.30 -0.72 -0.24 0.00 -1.04 0.00 0.00 56.93 55.23 1kzw s PHE 68 Cb -0.13 -0.63 0.05 0.00 -1.21 0.00 0.00 43.02 41.11 1kzw s PHE 68 CO 0.19 0.05 1.27 1.21 -1.34 0.00 0.00 175.22 176.60 1kzw s ASN 69 N -2.92 6.32 0.12 1.98 3.84 -1.26 -1.57 114.94 121.46 1kzw s ASN 69 Ca 0.13 -1.03 -0.26 0.00 0.21 0.00 0.00 52.86 51.92 1kzw s ASN 69 Cb 0.01 -2.52 -0.07 0.00 -0.55 0.00 0.00 41.25 38.11 1kzw s ASN 69 CO 0.00 -1.59 0.79 -0.47 -2.79 0.00 0.00 177.10 173.05 1kzw s TYR 70 N 4.90 3.85 -0.07 0.43 5.04 0.35 -4.79 117.35 127.05 1kzw s TYR 70 Ca 0.36 1.60 0.05 0.00 -2.44 0.00 0.00 57.07 56.64 1kzw s TYR 70 Cb -0.07 -2.81 -0.01 0.00 0.35 0.00 0.00 41.96 39.43 1kzw s TYR 70 CO 0.04 0.41 -0.24 -0.80 -1.34 0.00 0.00 175.55 173.61 1kzw s ASN 71 N -0.70 3.05 0.00 4.32 0.01 -1.26 -0.74 114.94 119.62 1kzw s ASN 71 Ca 0.38 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 1kzw s ASN 71 Cb -0.22 -1.05 0.00 0.00 0.41 0.00 0.00 41.25 40.39 1kzw s ASN 71 CO 0.26 0.21 0.00 0.18 -1.51 0.00 0.00 177.10 176.24 1kzw n LEU 72 N 3.17 0.00 -0.02 0.60 4.77 -1.24 -5.01 117.00 119.28 1kzw n LEU 72 Ca -0.18 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.59 1kzw n LEU 72 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1kzw n LEU 72 CO 0.26 0.00 -0.31 0.00 -1.33 0.00 0.00 177.39 176.01 1kzw h ALA 73 N -1.91 0.15 -1.91 -1.18 0.00 -1.96 -3.46 119.26 108.99 1kzw h ALA 73 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1kzw h ALA 73 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kzw h ALA 73 CO 0.00 0.68 0.00 -0.40 0.00 0.00 0.00 179.25 179.53 1kzw n ASP 74 N -4.10 0.00 -2.81 0.00 5.68 -1.26 -4.78 116.55 109.27 1kzw n ASP 74 Ca -0.24 0.01 -0.03 0.00 -0.50 0.00 0.00 54.79 54.03 1kzw n ASP 74 Cb 0.81 -0.18 0.01 0.00 -1.14 0.00 0.00 41.12 40.62 1kzw n ASP 74 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1kzw s GLY 75 N -1.71 -1.40 -0.29 6.12 0.00 -1.26 -5.10 107.32 103.68 1kzw s GLY 75 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.65 1kzw s GLY 75 CO 0.00 3.82 0.20 -1.59 0.00 0.00 0.00 173.10 175.53 1kzw s THR 76 N 1.10 -0.21 -0.37 0.90 2.01 -1.26 -5.03 115.64 112.77 1kzw s THR 76 Ca 0.26 -0.62 -0.24 0.00 0.31 0.00 0.00 61.69 61.40 1kzw s THR 76 Cb 0.02 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.57 1kzw s THR 76 CO -0.07 -0.60 0.82 -1.61 -0.69 0.00 0.00 174.62 172.47 1kzw s GLU 77 N 2.21 3.74 -0.31 4.92 2.02 -1.26 -3.66 118.70 126.37 1kzw s GLU 77 Ca 0.09 0.34 0.02 0.00 0.02 0.00 0.00 54.97 55.44 1kzw s GLU 77 Cb -0.15 -3.82 0.08 0.00 0.10 0.00 0.00 34.13 30.33 1kzw s GLU 77 CO -0.34 -0.91 -0.01 -0.51 0.02 0.00 0.00 175.26 173.51 1kzw s LEU 78 N 3.22 4.13 -0.23 1.80 1.43 0.08 -1.93 118.68 127.19 1kzw s LEU 78 Ca 0.33 -1.68 -0.29 0.00 -1.03 0.00 0.00 54.13 51.46 1kzw s LEU 78 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1kzw s LEU 78 CO 0.18 -0.30 1.07 0.00 0.23 0.00 0.00 176.35 177.53 1kzw s ARG 79 N 1.07 4.25 0.00 1.70 1.70 0.08 -0.50 118.95 127.25 1kzw s ARG 79 Ca -0.00 1.38 0.00 0.00 -0.47 0.00 0.00 55.73 56.64 1kzw s ARG 79 Cb -0.20 -3.66 0.00 0.00 -0.57 0.00 0.00 34.95 30.52 1kzw s ARG 79 CO -0.05 -0.65 0.00 0.41 -1.08 0.00 0.00 175.30 173.93 1kzw n GLY 80 N 3.38 -0.50 3.18 3.88 0.00 -0.61 -1.73 105.19 112.78 1kzw n GLY 80 Ca 0.12 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.16 1.36 -0.32 2.61 -4.23 -0.41 -1.10 115.64 110.39 1kzw s THR 81 Ca 0.00 -0.92 -0.12 0.00 -1.18 0.00 0.00 61.69 59.47 1kzw s THR 81 Cb 0.00 -1.17 -0.02 0.00 1.34 0.00 0.00 72.50 72.64 1kzw s THR 81 CO 0.00 0.23 0.21 0.26 -0.54 0.00 0.00 174.62 174.79 1kzw s TRP 82 N -0.62 3.22 -0.09 3.99 0.52 -1.26 -1.26 118.94 123.45 1kzw s TRP 82 Ca 0.06 -0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.03 1kzw s TRP 82 Cb -0.07 -2.43 0.00 0.00 -1.15 0.00 0.00 33.47 29.81 1kzw s TRP 82 CO 0.01 -0.32 -0.20 0.45 0.02 0.00 0.00 176.95 176.90 1kzw s SER 83 N 1.72 2.67 -0.32 2.95 0.15 -0.38 -2.18 113.70 118.31 1kzw s SER 83 Ca 0.06 -0.47 -0.26 0.00 0.70 0.00 0.00 55.95 55.98 1kzw s SER 83 Cb -0.17 -1.20 0.01 0.00 -1.71 0.00 0.00 66.02 62.95 1kzw s SER 83 CO 0.10 0.12 0.90 -0.22 1.20 0.00 0.00 173.24 175.35 1kzw s LEU 84 N 0.41 4.03 -0.29 3.45 2.96 -1.26 -0.25 118.68 127.73 1kzw s LEU 84 Ca -0.17 0.77 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 1kzw s LEU 84 Cb -0.17 -3.26 0.10 0.00 0.50 0.00 0.00 46.19 43.36 1kzw s LEU 84 CO 0.07 -0.74 0.13 -0.70 -1.32 0.00 0.00 176.35 173.79 1kzw s GLU 85 N 3.27 0.20 -0.69 1.98 2.56 0.05 -4.97 118.70 121.10 1kzw s GLU 85 Ca 0.37 -0.53 -0.01 0.00 0.00 0.00 0.00 54.97 54.80 1kzw s GLU 85 Cb -0.13 -1.20 -0.02 0.00 2.00 0.00 0.00 34.13 34.78 1kzw s GLU 85 CO 0.14 -1.01 0.64 0.41 -0.56 0.00 0.00 175.26 174.88 1kzw n GLY 86 N 5.24 -1.02 5.00 -1.50 0.00 -1.26 -2.67 105.19 108.98 1kzw n GLY 86 Ca -0.06 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.00 0.00 -4.74 1.61 2.85 -1.26 -5.00 115.26 106.73 1kzw n ASN 87 Ca -0.02 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.05 1kzw n ASN 87 Cb 0.53 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.50 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 0.00 4.63 -0.50 1.20 1.02 -1.09 -4.95 119.74 120.05 1kzw s LYS 88 Ca 0.00 1.31 -0.25 0.00 0.02 0.00 0.00 55.97 57.05 1kzw s LYS 88 Cb 0.00 -3.37 0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1kzw s LYS 88 CO 0.00 0.25 0.92 -0.51 -0.92 0.00 0.00 175.35 175.09 1kzw s LEU 89 N -0.06 4.06 -0.38 3.17 1.43 -0.17 -0.77 118.68 125.96 1kzw s LEU 89 Ca 0.44 -0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.28 1kzw s LEU 89 Cb -0.22 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1kzw s LEU 89 CO 0.27 -1.11 0.42 -0.63 0.23 0.00 0.00 176.35 175.53 1kzw s ILE 90 N 3.80 5.11 -1.01 -0.59 -1.09 0.65 -0.99 121.20 127.08 1kzw s ILE 90 Ca 0.34 -0.07 -0.19 0.00 -2.23 0.00 0.00 60.65 58.51 1kzw s ILE 90 Cb -0.11 -3.94 0.12 0.00 -1.58 0.00 0.00 42.46 36.95 1kzw s ILE 90 CO 0.23 -0.26 1.26 -0.83 -1.23 0.00 0.00 174.94 174.12 1kzw s GLY 91 N 1.77 1.89 -0.74 6.18 0.00 0.37 -1.25 107.32 115.55 1kzw s GLY 91 Ca 0.13 -2.80 -0.23 0.00 0.00 0.00 0.00 44.72 41.83 1kzw s GLY 91 CO 0.13 2.16 1.07 0.54 0.00 0.00 0.00 173.10 177.00 1kzw s LYS 92 N 2.93 3.23 0.30 2.90 -0.14 -0.39 -1.02 119.74 127.56 1kzw s LYS 92 Ca 0.37 -0.92 0.11 0.00 -1.36 0.00 0.00 55.97 54.18 1kzw s LYS 92 Cb -0.03 -4.41 -0.06 0.00 -1.68 0.00 0.00 37.83 31.65 1kzw s LYS 92 CO -0.07 -1.89 -0.16 -0.06 -0.76 0.00 0.00 175.35 172.41 1kzw s PHE 93 N 4.15 2.32 0.00 3.18 0.08 -0.53 -1.29 117.98 125.89 1kzw s PHE 93 Ca 0.27 -0.40 -0.05 0.00 0.12 0.00 0.00 56.93 56.86 1kzw s PHE 93 Cb -0.12 -1.14 -0.00 0.00 -0.57 0.00 0.00 43.02 41.19 1kzw s PHE 93 CO 0.06 0.65 0.10 -1.59 -0.10 0.00 0.00 175.22 174.35 1kzw s LYS 94 N -3.55 0.41 -0.24 0.44 -2.85 -0.71 -0.21 119.74 113.04 1kzw s LYS 94 Ca 0.31 -0.39 -0.29 0.00 -1.00 0.00 0.00 55.97 54.60 1kzw s LYS 94 Cb -0.02 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 1kzw s LYS 94 CO 0.15 -0.09 1.76 1.03 0.10 0.00 0.00 175.35 178.30 1kzw s ARG 95 N -1.27 3.61 0.59 1.78 1.81 -0.14 -0.74 118.95 124.58 1kzw s ARG 95 Ca -0.14 1.70 0.38 0.00 -1.72 0.00 0.00 55.73 55.95 1kzw s ARG 95 Cb -0.08 -4.13 1.81 0.00 -0.45 0.00 0.00 34.95 32.11 1kzw s ARG 95 CO 0.01 -1.53 2.14 0.00 -0.68 0.00 0.00 175.30 175.24 1kzw h THR 96 N 6.42 0.00 0.00 0.02 1.03 -1.74 0.10 112.91 118.75 1kzw h THR 96 Ca -0.36 -0.28 -0.03 0.00 -0.01 0.00 0.00 66.41 65.73 1kzw h THR 96 Cb 1.17 1.27 -0.00 0.00 -1.07 0.00 0.00 68.15 69.52 1kzw h THR 96 CO 1.00 0.00 -0.13 -0.78 -0.01 0.00 0.00 175.52 175.60 1kzw h ASP 97 N 0.00 0.00 0.00 0.00 3.58 -1.91 -3.44 116.42 114.65 1kzw h ASP 97 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1kzw h ASP 97 Cb 0.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1kzw h ASP 97 CO 0.00 0.13 -0.49 0.59 -2.88 0.00 0.00 179.24 176.60 1kzw n ASN 98 N -4.17 0.76 0.00 2.28 4.13 -0.70 -5.06 115.26 112.49 1kzw n ASN 98 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1kzw n ASN 98 Cb 0.21 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kzw n GLY 99 N 2.33 2.60 3.75 7.41 0.00 0.27 -5.04 105.19 116.51 1kzw n GLY 99 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.65 7.44 0.32 1.61 0.01 -1.26 -4.70 114.94 117.72 1kzw s ASN 100 Ca 0.00 2.11 -0.28 0.00 -0.71 0.00 0.00 52.86 53.98 1kzw s ASN 100 Cb 0.00 -2.62 -0.09 0.00 0.41 0.00 0.00 41.25 38.95 1kzw s ASN 100 CO 0.00 -0.01 1.15 -1.83 -1.51 0.00 0.00 177.10 174.90 1kzw s GLU 101 N -1.26 4.44 -0.11 -0.60 -1.05 -1.26 -0.97 118.70 117.89 1kzw s GLU 101 Ca 0.43 1.88 -0.00 0.00 -0.15 0.00 0.00 54.97 57.13 1kzw s GLU 101 Cb -0.29 -3.03 0.02 0.00 -0.44 0.00 0.00 34.13 30.39 1kzw s GLU 101 CO 0.37 0.01 -0.07 -1.17 0.95 0.00 0.00 175.26 175.34 1kzw s LEU 102 N -1.79 1.19 -0.29 1.83 0.20 0.71 -1.88 118.68 118.64 1kzw s LEU 102 Ca 0.48 -0.29 -0.06 0.00 0.69 0.00 0.00 54.13 54.96 1kzw s LEU 102 Cb -0.33 -0.81 0.02 0.00 -0.43 0.00 0.00 46.19 44.64 1kzw s LEU 102 CO 0.42 -0.11 0.06 0.20 -0.29 0.00 0.00 176.35 176.63 1kzw s ASN 103 N 1.63 5.02 -0.37 3.68 0.01 0.19 -1.45 114.94 123.65 1kzw s ASN 103 Ca 0.03 -0.83 -0.02 0.00 -0.71 0.00 0.00 52.86 51.34 1kzw s ASN 103 Cb -0.13 -1.84 0.09 0.00 0.41 0.00 0.00 41.25 39.79 1kzw s ASN 103 CO -0.07 -0.21 0.13 -0.89 -1.51 0.00 0.00 177.10 174.56 1kzw s THR 104 N 1.45 3.09 -0.52 1.60 2.01 -0.19 -0.53 115.64 122.55 1kzw s THR 104 Ca 0.01 -1.92 -0.22 0.00 0.31 0.00 0.00 61.69 59.87 1kzw s THR 104 Cb -0.18 -3.05 0.05 0.00 0.01 0.00 0.00 72.50 69.33 1kzw s THR 104 CO 0.01 -0.53 0.78 -0.69 -0.69 0.00 0.00 174.62 173.50 1kzw s VAL 105 N 1.14 4.64 -0.34 3.82 1.01 -0.57 -0.48 120.40 129.63 1kzw s VAL 105 Ca 0.05 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1kzw s VAL 105 Cb -0.22 -4.40 0.01 0.00 0.00 0.00 0.00 36.38 31.77 1kzw s VAL 105 CO -0.04 -0.93 0.83 -0.13 0.00 0.00 0.00 175.10 174.84 1kzw s ARG 106 N 3.27 3.86 0.00 2.72 0.52 -0.16 -2.57 118.95 126.59 1kzw s ARG 106 Ca 0.23 0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 55.94 1kzw s ARG 106 Cb -0.16 -3.78 -0.01 0.00 0.52 0.00 0.00 34.95 31.53 1kzw s ARG 106 CO 0.16 -0.82 0.00 -1.83 0.02 0.00 0.00 175.30 172.84 1kzw s GLU 107 N 3.16 0.15 -0.42 3.54 -1.05 -1.23 -1.00 118.70 121.84 1kzw s GLU 107 Ca 0.34 -0.23 -0.17 0.00 -0.15 0.00 0.00 54.97 54.76 1kzw s GLU 107 Cb -0.13 0.06 0.02 0.00 -0.44 0.00 0.00 34.13 33.64 1kzw s GLU 107 CO 0.16 -0.02 0.40 0.42 0.95 0.00 0.00 175.26 177.16 1kzw s ILE 108 N -0.60 5.14 -1.04 1.83 -1.09 -1.26 -1.31 121.20 122.86 1kzw s ILE 108 Ca -0.07 -0.48 -0.15 0.00 -2.23 0.00 0.00 60.65 57.73 1kzw s ILE 108 Cb -0.04 -4.02 0.18 0.00 -1.58 0.00 0.00 42.46 37.00 1kzw s ILE 108 CO -0.00 -0.41 1.17 -0.51 -1.23 0.00 0.00 174.94 173.96 1kzw s ILE 109 N 1.99 5.19 0.00 2.92 1.10 -0.53 -4.89 121.20 126.99 1kzw s ILE 109 Ca 0.10 -2.40 0.00 0.00 -0.51 0.00 0.00 60.65 57.84 1kzw s ILE 109 Cb -0.18 -4.75 0.00 0.00 0.15 0.00 0.00 42.46 37.68 1kzw s ILE 109 CO 0.12 -1.42 0.00 0.61 -2.11 0.00 0.00 174.94 172.15 1kzw n GLY 110 N 4.31 1.93 2.53 1.50 0.00 -1.26 -3.24 105.19 110.95 1kzw n GLY 110 Ca 0.27 0.11 -0.16 0.00 0.00 0.00 0.00 46.02 46.24 1kzw n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1kzw n ASP 111 N 5.08 2.00 -3.67 1.61 2.03 -1.26 -5.01 116.55 117.33 1kzw n ASP 111 Ca 0.00 -3.02 -0.14 0.00 0.52 0.00 0.00 54.79 52.15 1kzw n ASP 111 Cb 0.00 -0.55 -0.13 0.00 -0.72 0.00 0.00 41.12 39.72 1kzw n ASP 111 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1kzw s GLU 112 N -3.02 0.14 -0.68 -0.67 2.02 -1.20 -4.17 118.70 111.12 1kzw s GLU 112 Ca 0.35 0.70 -0.26 0.00 0.02 0.00 0.00 54.97 55.79 1kzw s GLU 112 Cb 0.41 -0.07 0.04 0.00 0.10 0.00 0.00 34.13 34.61 1kzw s GLU 112 CO -0.04 -0.27 1.16 -1.17 0.02 0.00 0.00 175.26 174.95 1kzw s LEU 113 N 2.26 3.60 -0.46 1.80 2.96 -0.05 -1.45 118.68 127.34 1kzw s LEU 113 Ca 0.00 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.25 1kzw s LEU 113 Cb -0.12 -2.62 0.07 0.00 0.50 0.00 0.00 46.19 44.03 1kzw s LEU 113 CO -0.08 -1.64 0.36 0.68 -1.32 0.00 0.00 176.35 174.35 1kzw s VAL 114 N 5.05 5.00 -0.45 1.68 -7.23 -0.43 -1.07 120.40 122.94 1kzw s VAL 114 Ca 0.32 -1.11 -0.20 0.00 -1.81 0.00 0.00 61.98 59.18 1kzw s VAL 114 Cb -0.11 -3.98 0.03 0.00 0.56 0.00 0.00 36.38 32.88 1kzw s VAL 114 CO 0.15 -0.54 0.62 -1.10 -0.31 0.00 0.00 175.10 173.92 1kzw s GLN 115 N 1.59 3.23 -0.47 4.82 -0.21 -0.21 -3.58 119.66 124.84 1kzw s GLN 115 Ca 0.04 -0.50 -0.21 0.00 0.02 0.00 0.00 55.36 54.70 1kzw s GLN 115 Cb -0.24 -3.98 0.03 0.00 1.00 0.00 0.00 33.01 29.83 1kzw s GLN 115 CO 0.06 -1.03 0.69 0.99 -2.12 0.00 0.00 175.29 173.88 1kzw s THR 116 N 2.72 4.76 -0.28 -0.19 2.01 -1.06 -1.34 115.64 122.26 1kzw s THR 116 Ca 0.20 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 1kzw s THR 116 Cb -0.15 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1kzw s THR 116 CO 0.17 -0.72 0.30 -0.31 -0.69 0.00 0.00 174.62 173.37 1kzw s TYR 117 N 2.98 3.23 -0.30 4.92 1.51 0.14 -1.51 117.35 128.32 1kzw s TYR 117 Ca 0.23 0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.55 1kzw s TYR 117 Cb -0.15 -2.50 0.07 0.00 -0.11 0.00 0.00 41.96 39.28 1kzw s TYR 117 CO 0.18 -0.22 -0.01 0.08 -1.11 0.00 0.00 175.55 174.46 1kzw s VAL 118 N 1.93 2.47 -0.33 0.71 1.01 0.31 -1.20 120.40 125.30 1kzw s VAL 118 Ca 0.11 -1.82 -0.13 0.00 0.00 0.00 0.00 61.98 60.14 1kzw s VAL 118 Cb -0.16 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1kzw s VAL 118 CO 0.11 -0.26 0.27 -0.47 0.00 0.00 0.00 175.10 174.74 1kzw s TYR 119 N 1.08 3.22 0.00 5.22 5.04 -1.14 -0.64 117.35 130.14 1kzw s TYR 119 Ca -0.01 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 1kzw s TYR 119 Cb -0.20 -2.52 0.00 0.00 0.35 0.00 0.00 41.96 39.59 1kzw s TYR 119 CO -0.05 -0.35 0.00 0.39 -1.34 0.00 0.00 175.55 174.20 1kzw n GLU 120 N 5.18 0.00 -2.75 4.97 1.02 -0.79 -1.87 120.64 126.40 1kzw n GLU 120 Ca -0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.00 1kzw n GLU 120 Cb 0.50 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.00 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 0.00 1.80 3.22 0.62 0.00 -1.26 -5.02 105.19 104.55 1kzw n GLY 121 Ca 0.00 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.97 3.00 -0.01 1.61 0.11 -0.78 -5.11 120.40 117.24 1kzw s VAL 122 Ca 0.20 -0.96 -0.28 0.00 -2.93 0.00 0.00 61.98 58.01 1kzw s VAL 122 Cb 0.39 -2.52 -0.03 0.00 -1.53 0.00 0.00 36.38 32.69 1kzw s VAL 122 CO -0.07 0.20 0.89 -1.61 -3.33 0.00 0.00 175.10 171.19 1kzw s GLU 123 N 1.35 4.53 -0.07 1.54 8.01 -1.26 -2.88 118.70 129.92 1kzw s GLU 123 Ca 0.01 1.26 0.01 0.00 0.01 0.00 0.00 54.97 56.25 1kzw s GLU 123 Cb -0.17 -3.45 0.02 0.00 -4.31 0.00 0.00 34.13 26.23 1kzw s GLU 123 CO -0.04 0.00 -0.07 0.00 0.01 0.00 0.00 175.26 175.16 1kzw s ALA 124 N 0.87 1.03 -0.34 5.21 0.00 -0.34 -4.80 121.76 123.40 1kzw s ALA 124 Ca 0.47 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1kzw s ALA 124 Cb -0.20 -0.63 0.08 0.00 0.00 0.00 0.00 23.12 22.36 1kzw s ALA 124 CO 0.25 -0.13 0.08 0.15 0.00 0.00 0.00 175.76 176.11 1kzw s LYS 125 N 1.16 2.17 -0.31 0.00 1.02 -0.44 -0.68 119.74 122.67 1kzw s LYS 125 Ca -0.06 -1.53 -0.13 0.00 0.02 0.00 0.00 55.97 54.26 1kzw s LYS 125 Cb -0.14 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 1kzw s LYS 125 CO -0.02 -0.82 0.27 1.03 -0.92 0.00 0.00 175.35 174.90 1kzw s ARG 126 N 1.18 3.77 -0.34 1.68 0.52 -0.45 -2.06 118.95 123.23 1kzw s ARG 126 Ca 0.01 -0.35 -0.19 0.00 -0.52 0.00 0.00 55.73 54.69 1kzw s ARG 126 Cb -0.21 -3.73 -0.00 0.00 0.52 0.00 0.00 34.95 31.53 1kzw s ARG 126 CO -0.03 -0.34 0.54 0.42 0.02 0.00 0.00 175.30 175.91 1kzw s ILE 127 N 1.87 5.00 -0.30 1.52 1.01 -0.66 -1.05 121.20 128.59 1kzw s ILE 127 Ca 0.09 0.43 -0.10 0.00 0.00 0.00 0.00 60.65 61.07 1kzw s ILE 127 Cb -0.16 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 1kzw s ILE 127 CO 0.11 -0.21 0.15 -0.36 0.00 0.00 0.00 174.94 174.62 1kzw s PHE 128 N 2.45 3.17 0.51 3.97 0.40 -0.24 -0.71 117.98 127.53 1kzw s PHE 128 Ca 0.20 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 1kzw s PHE 128 Cb -0.15 -2.34 -0.05 0.00 0.51 0.00 0.00 43.02 40.98 1kzw s PHE 128 CO 0.13 -0.40 0.89 0.21 0.70 0.00 0.00 175.22 176.75 1kzw s LYS 129 N 1.64 3.71 -0.46 0.44 2.20 -0.12 -0.87 119.74 126.27 1kzw s LYS 129 Ca 0.05 0.59 -0.27 0.00 -0.36 0.00 0.00 55.97 55.98 1kzw s LYS 129 Cb -0.17 -2.25 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 1kzw s LYS 129 CO 0.07 -0.27 1.97 0.21 -0.36 0.00 0.00 175.35 176.96 1kzw s LYS 130 N -4.48 2.82 0.00 4.03 2.47 -1.26 -0.75 119.74 122.57 1kzw s LYS 130 Ca 0.53 1.16 0.00 0.00 -1.56 0.00 0.00 55.97 56.10 1kzw s LYS 130 Cb -0.10 -4.36 0.00 0.00 -1.46 0.00 0.00 37.83 31.91 1kzw s LYS 130 CO 0.41 -2.48 0.00 -3.47 0.16 0.00 0.00 175.35 169.97