#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 -1.81 0.00 3.72 -1.26 -4.87 117.46 113.24 1kzw n PHE 2 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 1kzw n PHE 2 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1kzw n PHE 2 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1kzw n ASP 3 N 2.54 3.01 -3.57 4.37 2.03 -1.26 -4.55 116.55 119.12 1kzw n ASP 3 Ca 0.00 -2.71 -0.02 0.00 0.52 0.00 0.00 54.79 52.58 1kzw n ASP 3 Cb 0.00 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 38.85 1kzw n ASP 3 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1kzw s SER 4 N 5.89 -0.08 -0.05 1.67 0.15 -1.07 -4.97 113.70 115.23 1kzw s SER 4 Ca 0.64 -0.48 -0.18 0.00 0.70 0.00 0.00 55.95 56.63 1kzw s SER 4 Cb 0.04 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.75 1kzw s SER 4 CO 0.13 -0.85 0.51 -0.89 1.20 0.00 0.00 173.24 173.34 1kzw s THR 5 N -2.67 5.06 -0.30 6.45 2.01 -1.26 -1.15 115.64 123.78 1kzw s THR 5 Ca 0.17 1.04 -0.01 0.00 0.31 0.00 0.00 61.69 63.20 1kzw s THR 5 Cb -0.01 -3.84 0.10 0.00 0.01 0.00 0.00 72.50 68.75 1kzw s THR 5 CO 0.03 0.40 0.09 0.26 -0.69 0.00 0.00 174.62 174.71 1kzw s TRP 6 N 0.02 1.63 -0.03 4.92 0.52 -0.27 -0.45 118.94 125.27 1kzw s TRP 6 Ca 0.27 -1.64 -0.18 0.00 0.02 0.00 0.00 56.10 54.58 1kzw s TRP 6 Cb -0.17 -1.63 -0.05 0.00 -1.15 0.00 0.00 33.47 30.47 1kzw s TRP 6 CO 0.13 -0.85 0.49 0.21 0.02 0.00 0.00 176.95 176.96 1kzw s LYS 7 N 1.64 4.20 0.05 4.98 2.47 -0.79 -0.75 119.74 131.53 1kzw s LYS 7 Ca 0.08 0.54 -0.30 0.00 -1.56 0.00 0.00 55.97 54.73 1kzw s LYS 7 Cb -0.17 -3.33 -0.09 0.00 -1.46 0.00 0.00 37.83 32.78 1kzw s LYS 7 CO -0.24 0.42 1.89 0.54 0.16 0.00 0.00 175.35 178.13 1kzw s VAL 8 N -0.28 2.98 -0.27 4.02 0.11 -0.54 -0.24 120.40 126.18 1kzw s VAL 8 Ca 0.27 0.12 -0.07 0.00 -2.93 0.00 0.00 61.98 59.37 1kzw s VAL 8 Cb -0.17 -3.08 -0.15 0.00 -1.53 0.00 0.00 36.38 31.46 1kzw s VAL 8 CO 0.14 -0.01 -0.27 -0.67 -3.33 0.00 0.00 175.10 170.96 1kzw n ASP 9 N 7.02 1.97 -3.39 3.54 -0.08 0.39 -4.84 116.55 121.16 1kzw n ASP 9 Ca 0.19 0.12 0.02 0.00 -1.51 0.00 0.00 54.79 53.61 1kzw n ASP 9 Cb 0.41 -0.64 -0.03 0.00 2.34 0.00 0.00 41.12 43.20 1kzw n ASP 9 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kzw s ARG 10 N -2.51 0.44 -0.47 -0.67 1.70 -1.12 -5.03 118.95 111.30 1kzw s ARG 10 Ca -0.37 1.00 -0.15 0.00 -0.47 0.00 0.00 55.73 55.74 1kzw s ARG 10 Cb 0.12 0.59 0.07 0.00 -0.57 0.00 0.00 34.95 35.16 1kzw s ARG 10 CO 0.55 -0.27 0.39 -1.54 -1.08 0.00 0.00 175.30 173.34 1kzw s SER 11 N 2.77 6.12 -0.16 -2.89 1.04 -1.26 -2.04 113.70 117.27 1kzw s SER 11 Ca 0.02 -1.32 -0.20 0.00 0.48 0.00 0.00 55.95 54.94 1kzw s SER 11 Cb -0.11 -2.17 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 1kzw s SER 11 CO -0.18 -0.63 0.56 -1.61 0.98 0.00 0.00 173.24 172.36 1kzw s GLU 12 N 1.63 4.26 -1.95 4.02 0.41 0.18 -4.36 118.70 122.89 1kzw s GLU 12 Ca 0.04 0.53 0.00 0.00 -0.41 0.00 0.00 54.97 55.13 1kzw s GLU 12 Cb -0.24 -3.52 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 1kzw s GLU 12 CO 0.07 -0.08 0.00 -1.71 -0.49 0.00 0.00 175.26 173.05 1kzw n ASN 13 N 4.48 -5.78 -0.05 -0.19 5.15 -1.26 -1.37 115.26 116.23 1kzw n ASN 13 Ca -0.04 0.18 -0.15 0.00 -0.60 0.00 0.00 54.58 53.97 1kzw n ASN 13 Cb 0.51 -4.91 -0.07 0.00 -0.53 0.00 0.00 39.78 34.78 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 0.79 -0.95 1.20 3.20 -1.92 -2.89 116.97 116.40 1kzw h TYR 14 Ca -0.47 -0.31 0.01 0.00 3.14 0.00 0.00 58.73 61.10 1kzw h TYR 14 Cb 1.37 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.45 1kzw h TYR 14 CO 0.57 1.08 0.62 0.38 -1.64 0.00 0.00 178.16 179.17 1kzw h ASP 15 N 0.28 1.10 -0.23 -2.11 2.03 -1.93 -0.99 116.42 114.56 1kzw h ASP 15 Ca -0.01 -0.03 -0.09 0.00 -0.73 0.00 0.00 57.03 56.16 1kzw h ASP 15 Cb 1.08 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 39.30 1kzw h ASP 15 CO 0.10 0.80 -0.22 0.11 -1.03 0.00 0.00 179.24 179.00 1kzw h LYS 16 N 1.29 0.55 -0.63 4.15 1.57 -1.99 -0.47 116.57 121.04 1kzw h LYS 16 Ca 0.35 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.92 1kzw h LYS 16 Cb -0.14 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.08 1kzw h LYS 16 CO -0.07 0.88 -0.48 0.35 -0.57 0.00 0.00 179.45 179.55 1kzw h PHE 17 N 0.25 -1.46 -0.78 -1.35 3.57 -1.54 -1.62 116.94 114.01 1kzw h PHE 17 Ca 0.04 0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1kzw h PHE 17 Cb 0.77 0.72 -0.06 0.00 2.79 0.00 0.00 35.95 40.18 1kzw h PHE 17 CO 0.08 -0.43 0.47 0.52 -2.23 0.00 0.00 178.31 176.71 1kzw h MET 18 N -0.22 0.83 -0.65 1.11 2.86 -1.16 -2.11 114.93 115.59 1kzw h MET 18 Ca 0.16 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1kzw h MET 18 Cb 0.55 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1kzw h MET 18 CO -0.72 0.55 0.39 1.49 1.06 0.00 0.00 176.91 179.68 1kzw h GLU 19 N 0.85 0.74 -0.53 1.72 4.81 -0.96 -2.27 114.58 118.94 1kzw h GLU 19 Ca 0.34 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1kzw h GLU 19 Cb 0.18 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1kzw h GLU 19 CO -0.18 0.49 0.35 -0.22 -0.73 0.00 0.00 179.01 178.73 1kzw h LYS 20 N 0.76 0.68 -0.45 1.92 3.64 -1.09 -3.06 116.57 118.98 1kzw h LYS 20 Ca 0.26 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1kzw h LYS 20 Cb 0.05 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1kzw h LYS 20 CO -0.12 0.45 -0.13 0.52 -2.27 0.00 0.00 179.45 177.90 1kzw h MET 21 N 0.70 0.82 0.00 1.90 2.86 -1.16 -3.49 114.93 116.56 1kzw h MET 21 Ca 0.20 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1kzw h MET 21 Cb -0.05 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1kzw h MET 21 CO -0.04 0.91 0.00 0.41 1.06 0.00 0.00 176.91 179.24 1kzw n GLY 22 N -0.37 0.60 3.08 8.32 0.00 -0.87 -5.12 105.19 110.82 1kzw n GLY 22 Ca 0.01 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.80 1.09 0.46 1.61 0.11 -1.19 -5.06 120.40 116.62 1kzw s VAL 23 Ca 0.00 -0.55 -0.24 0.00 -2.93 0.00 0.00 61.98 58.26 1kzw s VAL 23 Cb 0.00 -0.94 -0.07 0.00 -1.53 0.00 0.00 36.38 33.84 1kzw s VAL 23 CO 0.00 0.32 1.35 0.21 -3.33 0.00 0.00 175.10 173.65 1kzw s ASN 24 N -0.02 5.89 0.27 3.54 2.47 -1.26 -4.61 114.94 121.23 1kzw s ASN 24 Ca -0.01 2.75 0.01 0.00 0.42 0.00 0.00 52.86 56.03 1kzw s ASN 24 Cb -0.08 -2.64 0.59 0.00 -1.45 0.00 0.00 41.25 37.67 1kzw s ASN 24 CO 0.01 -1.15 1.74 -0.29 -3.72 0.00 0.00 177.10 173.70 1kzw h ILE 25 N 2.11 0.66 0.04 -5.21 2.10 -2.01 -0.09 117.51 115.11 1kzw h ILE 25 Ca -0.50 -0.19 -0.00 0.00 1.08 0.00 0.00 64.86 65.24 1kzw h ILE 25 Cb 1.27 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.04 1kzw h ILE 25 CO 0.61 0.10 -0.02 0.58 -1.08 0.00 0.00 178.15 178.34 1kzw h VAL 26 N 0.57 1.00 -0.81 2.19 2.07 -2.00 -1.08 116.25 118.18 1kzw h VAL 26 Ca 0.49 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.99 1kzw h VAL 26 Cb 0.77 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1kzw h VAL 26 CO -0.41 0.02 0.49 0.11 0.02 0.00 0.00 177.57 177.80 1kzw h LYS 27 N -0.09 0.84 -0.34 1.57 1.79 -1.83 -1.69 116.57 116.82 1kzw h LYS 27 Ca -0.00 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1kzw h LYS 27 Cb 0.08 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 1kzw h LYS 27 CO 0.01 0.55 0.18 0.00 -1.08 0.00 0.00 179.45 179.12 1kzw h ARG 28 N 0.86 0.37 -0.40 3.15 3.08 -0.91 0.69 114.38 121.23 1kzw h ARG 28 Ca 0.37 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.41 1kzw h ARG 28 Cb 0.24 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1kzw h ARG 28 CO -0.20 0.24 0.24 0.87 -1.07 0.00 0.00 179.97 180.05 1kzw h LYS 29 N 0.38 0.46 -0.18 0.04 1.57 -1.11 -0.31 116.57 117.42 1kzw h LYS 29 Ca 0.14 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1kzw h LYS 29 Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1kzw h LYS 29 CO -0.08 0.31 0.07 -0.07 -0.57 0.00 0.00 179.45 179.10 1kzw h LEU 30 N 0.48 0.25 -1.20 2.94 3.38 -1.27 -2.83 115.31 117.05 1kzw h LEU 30 Ca 0.16 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1kzw h LEU 30 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1kzw h LEU 30 CO -0.07 0.36 -0.29 0.00 0.09 0.00 0.00 178.44 178.53 1kzw h ALA 31 N 0.90 1.10 -0.22 1.53 0.00 -0.89 -2.84 119.26 118.84 1kzw h ALA 31 Ca 0.06 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1kzw h ALA 31 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1kzw h ALA 31 CO -0.00 0.36 0.02 0.00 0.00 0.00 0.00 179.25 179.63 1kzw h ALA 32 N 1.71 0.20 0.00 0.00 0.00 -1.11 -3.30 119.26 116.77 1kzw h ALA 32 Ca -0.00 0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.35 1kzw h ALA 32 Cb 0.73 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.62 1kzw h ALA 32 CO 0.04 -0.41 3.47 0.72 0.00 0.00 0.00 179.25 183.07 1kzw n HIS 33 N -5.12 2.15 -0.05 0.00 -0.00 -1.07 -4.64 115.22 106.49 1kzw n HIS 33 Ca -0.02 -2.86 -0.04 0.00 -0.00 0.00 0.00 57.72 54.80 1kzw n HIS 33 Cb 0.11 -2.34 -0.14 0.00 -0.00 0.00 0.00 29.99 27.61 1kzw n HIS 33 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1kzw n ASP 34 N 3.60 0.26 -3.42 0.41 5.68 -1.24 -4.93 116.55 116.91 1kzw n ASP 34 Ca 0.72 0.12 -0.19 0.00 -0.50 0.00 0.00 54.79 54.95 1kzw n ASP 34 Cb 0.25 0.91 0.07 0.00 -1.14 0.00 0.00 41.12 41.21 1kzw n ASP 34 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1kzw n ASN 35 N -2.72 -4.36 -4.67 -1.12 6.94 -1.26 -0.95 115.26 107.13 1kzw n ASN 35 Ca -0.21 -0.74 -0.43 0.00 -0.02 0.00 0.00 54.58 53.18 1kzw n ASN 35 Cb 0.97 -4.78 -0.02 0.00 -2.36 0.00 0.00 39.78 33.59 1kzw n ASN 35 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1kzw s LEU 36 N -5.99 4.14 -0.27 -4.53 2.96 -1.26 -4.27 118.68 109.45 1kzw s LEU 36 Ca 0.26 1.41 -0.08 0.00 -0.22 0.00 0.00 54.13 55.51 1kzw s LEU 36 Cb -0.05 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 1kzw s LEU 36 CO 0.76 -0.61 0.09 -0.75 -1.32 0.00 0.00 176.35 174.52 1kzw s LYS 37 N 2.88 3.50 -0.55 1.98 2.20 -0.09 -1.46 119.74 128.19 1kzw s LYS 37 Ca 0.45 -0.59 -0.17 0.00 -0.36 0.00 0.00 55.97 55.30 1kzw s LYS 37 Cb -0.16 -3.38 0.11 0.00 -1.51 0.00 0.00 37.83 32.89 1kzw s LYS 37 CO 0.09 -0.27 0.58 -0.51 -0.36 0.00 0.00 175.35 174.88 1kzw s LEU 38 N 1.60 5.71 -0.44 5.43 1.43 0.07 -1.58 118.68 130.89 1kzw s LEU 38 Ca 0.05 -1.53 -0.19 0.00 -1.03 0.00 0.00 54.13 51.44 1kzw s LEU 38 Cb -0.16 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 43.82 1kzw s LEU 38 CO 0.04 -0.94 0.54 -0.89 0.23 0.00 0.00 176.35 175.33 1kzw s THR 39 N 2.13 4.96 -0.35 5.49 2.01 -0.88 -1.12 115.64 127.88 1kzw s THR 39 Ca 0.08 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 1kzw s THR 39 Cb -0.26 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.12 1kzw s THR 39 CO 0.05 -0.54 0.19 -0.63 -0.69 0.00 0.00 174.62 173.01 1kzw s ILE 40 N 2.47 4.68 -0.43 1.82 1.01 -0.30 -0.84 121.20 129.61 1kzw s ILE 40 Ca 0.17 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 1kzw s ILE 40 Cb -0.16 -3.51 0.06 0.00 0.01 0.00 0.00 42.46 38.87 1kzw s ILE 40 CO 0.16 -0.10 0.30 -0.89 0.00 0.00 0.00 174.94 174.41 1kzw s THR 41 N 1.60 4.74 -0.47 2.92 2.01 -0.14 -2.60 115.64 123.70 1kzw s THR 41 Ca 0.04 -1.13 -0.23 0.00 0.31 0.00 0.00 61.69 60.68 1kzw s THR 41 Cb -0.18 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.55 1kzw s THR 41 CO 0.07 -0.47 0.78 -1.58 -0.69 0.00 0.00 174.62 172.73 1kzw s GLN 42 N 1.55 3.35 -1.25 4.92 0.74 -1.26 -0.74 119.66 126.97 1kzw s GLN 42 Ca 0.03 -0.23 -0.09 0.00 0.05 0.00 0.00 55.36 55.12 1kzw s GLN 42 Cb -0.23 -3.97 0.18 0.00 1.10 0.00 0.00 33.01 30.10 1kzw s GLN 42 CO 0.05 -1.17 1.80 -1.91 -0.55 0.00 0.00 175.29 173.51 1kzw n GLU 43 N 6.73 3.71 0.00 1.67 2.13 0.54 -4.96 120.64 130.46 1kzw n GLU 43 Ca 0.01 -3.67 0.00 0.00 0.66 0.00 0.00 57.16 54.16 1kzw n GLU 43 Cb 0.48 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 29.31 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 2.70 0.72 0.12 8.31 0.00 -1.26 -2.10 105.19 113.68 1kzw n GLY 44 Ca 0.38 0.49 0.05 0.00 0.00 0.00 0.00 46.02 46.94 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 -3.60 1.61 2.35 -1.96 -3.46 115.58 110.52 1kzw h ASN 45 Ca 0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 1kzw h ASN 45 Cb 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.24 1kzw h ASN 45 CO 0.00 0.32 0.31 -0.54 -1.65 0.00 0.00 177.43 175.87 1kzw s LYS 46 N -3.11 3.49 -0.31 0.81 1.02 -0.89 -2.44 119.74 118.31 1kzw s LYS 46 Ca -0.00 -0.04 -0.17 0.00 0.02 0.00 0.00 55.97 55.78 1kzw s LYS 46 Cb 0.09 -3.90 -0.02 0.00 -0.52 0.00 0.00 37.83 33.47 1kzw s LYS 46 CO 0.78 -1.02 0.45 -0.06 -0.92 0.00 0.00 175.35 174.58 1kzw s PHE 47 N 3.14 3.22 -0.66 3.18 0.40 -0.16 -0.34 117.98 126.77 1kzw s PHE 47 Ca 0.29 0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 56.73 1kzw s PHE 47 Cb -0.13 -2.74 0.11 0.00 0.51 0.00 0.00 43.02 40.78 1kzw s PHE 47 CO 0.20 -0.38 0.79 0.99 0.70 0.00 0.00 175.22 177.52 1kzw s THR 48 N 2.22 4.82 -0.52 0.64 2.01 0.08 -1.72 115.64 123.17 1kzw s THR 48 Ca 0.17 -1.12 -0.20 0.00 0.31 0.00 0.00 61.69 60.85 1kzw s THR 48 Cb -0.16 -4.55 0.06 0.00 0.01 0.00 0.00 72.50 67.86 1kzw s THR 48 CO 0.11 -1.20 0.68 -0.69 -0.69 0.00 0.00 174.62 172.83 1kzw s VAL 49 N 2.63 4.79 -0.64 3.82 1.01 -0.37 -0.97 120.40 130.67 1kzw s VAL 49 Ca 0.16 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 1kzw s VAL 49 Cb -0.20 -4.34 0.06 0.00 0.00 0.00 0.00 36.38 31.89 1kzw s VAL 49 CO 0.03 -0.86 1.00 -0.54 0.00 0.00 0.00 175.10 174.73 1kzw s LYS 50 N 2.86 3.19 -0.70 2.72 1.02 -0.02 -1.11 119.74 127.70 1kzw s LYS 50 Ca 0.18 -0.57 -0.20 0.00 0.02 0.00 0.00 55.97 55.40 1kzw s LYS 50 Cb -0.18 -4.17 0.10 0.00 -0.52 0.00 0.00 37.83 33.06 1kzw s LYS 50 CO 0.13 -1.76 0.91 -1.21 -0.92 0.00 0.00 175.35 172.50 1kzw s GLU 51 N 4.28 3.21 -0.41 1.68 2.02 -0.16 -2.07 118.70 127.25 1kzw s GLU 51 Ca 0.27 -1.24 -0.05 0.00 0.02 0.00 0.00 54.97 53.96 1kzw s GLU 51 Cb -0.14 -4.39 0.09 0.00 0.10 0.00 0.00 34.13 29.79 1kzw s GLU 51 CO 0.14 -1.71 0.21 0.45 0.02 0.00 0.00 175.26 174.37 1kzw s SER 52 N 3.61 5.38 0.30 -0.19 0.15 -0.62 -2.44 113.70 119.90 1kzw s SER 52 Ca 0.21 -1.75 0.07 0.00 0.70 0.00 0.00 55.95 55.17 1kzw s SER 52 Cb -0.16 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1kzw s SER 52 CO 0.04 -0.52 0.27 -1.54 1.20 0.00 0.00 173.24 172.68 1kzw n SER 53 N 4.74 -0.67 0.20 5.45 3.41 0.46 -0.91 113.62 126.30 1kzw n SER 53 Ca -0.07 -3.00 0.11 0.00 -0.26 0.00 0.00 58.87 55.65 1kzw n SER 53 Cb 0.42 1.56 0.65 0.00 -0.26 0.00 0.00 64.21 66.59 1kzw n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kzw h ALA 54 N 1.98 2.11 0.00 7.33 0.00 -1.28 -3.27 119.26 126.13 1kzw h ALA 54 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1kzw h ALA 54 Cb 1.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1kzw h ALA 54 CO 0.31 -0.14 -1.58 1.19 0.00 0.00 0.00 179.25 179.03 1kzw n PHE 55 N -4.50 0.15 -4.50 0.00 3.01 -1.26 -5.00 117.46 105.35 1kzw n PHE 55 Ca -0.00 0.04 -0.21 0.00 1.01 0.00 0.00 57.45 58.29 1kzw n PHE 55 Cb 0.20 -0.47 -0.14 0.00 -0.01 0.00 0.00 39.48 39.06 1kzw n PHE 55 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1kzw s ARG 56 N -3.37 1.01 -0.42 -1.08 1.81 -1.23 -4.82 118.95 110.84 1kzw s ARG 56 Ca -0.03 -0.57 0.06 0.00 -1.72 0.00 0.00 55.73 53.48 1kzw s ARG 56 Cb 0.14 -0.99 0.22 0.00 -0.45 0.00 0.00 34.95 33.87 1kzw s ARG 56 CO 0.87 0.26 0.52 0.27 -0.68 0.00 0.00 175.30 176.55 1kzw n ASN 57 N 2.45 -0.77 -3.75 0.23 0.23 -1.15 -0.40 115.26 112.10 1kzw n ASN 57 Ca -0.15 -2.68 -0.14 0.00 -0.53 0.00 0.00 54.58 51.08 1kzw n ASN 57 Cb 0.55 -0.08 -0.15 0.00 -2.08 0.00 0.00 39.78 38.02 1kzw n ASN 57 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 1kzw s ILE 58 N -0.34 -0.05 -0.69 1.53 -4.36 -1.02 -4.99 121.20 111.28 1kzw s ILE 58 Ca 0.33 0.18 -0.24 0.00 -0.26 0.00 0.00 60.65 60.67 1kzw s ILE 58 Cb 0.12 -0.22 0.06 0.00 1.25 0.00 0.00 42.46 43.67 1kzw s ILE 58 CO -0.15 0.07 1.06 -1.83 0.24 0.00 0.00 174.94 174.33 1kzw s GLU 59 N 1.15 3.14 -0.67 0.37 1.03 -1.26 -0.99 118.70 121.46 1kzw s GLU 59 Ca -0.09 -0.68 -0.20 0.00 0.03 0.00 0.00 54.97 54.03 1kzw s GLU 59 Cb -0.12 -4.23 0.10 0.00 -0.80 0.00 0.00 34.13 29.08 1kzw s GLU 59 CO -0.06 -1.91 0.87 0.08 -1.33 0.00 0.00 175.26 172.92 1kzw s VAL 60 N 4.52 4.63 -0.26 1.83 1.01 -0.26 -4.86 120.40 127.00 1kzw s VAL 60 Ca 0.26 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 1kzw s VAL 60 Cb -0.14 -4.61 -0.01 0.00 0.00 0.00 0.00 36.38 31.62 1kzw s VAL 60 CO 0.11 -1.32 0.77 -0.69 0.00 0.00 0.00 175.10 173.98 1kzw s VAL 61 N 3.18 4.86 -0.02 2.92 1.01 -1.26 -1.24 120.40 129.86 1kzw s VAL 61 Ca 0.19 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 1kzw s VAL 61 Cb -0.18 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1kzw s VAL 61 CO 0.05 -0.08 0.04 0.72 0.00 0.00 0.00 175.10 175.83 1kzw s PHE 62 N 2.78 -0.01 0.12 5.22 -0.12 -0.70 -4.99 117.98 120.27 1kzw s PHE 62 Ca 0.32 0.15 -0.23 0.00 -0.05 0.00 0.00 56.93 57.13 1kzw s PHE 62 Cb -0.15 -0.14 -0.07 0.00 -0.63 0.00 0.00 43.02 42.03 1kzw s PHE 62 CO 0.08 -0.07 0.68 -2.00 -0.05 0.00 0.00 175.22 173.86 1kzw s GLU 63 N 0.73 4.40 0.14 1.99 2.12 -1.26 -0.99 118.70 125.83 1kzw s GLU 63 Ca -0.06 0.97 -0.33 0.00 0.36 0.00 0.00 54.97 55.90 1kzw s GLU 63 Cb -0.08 -3.25 -0.13 0.00 0.26 0.00 0.00 34.13 30.92 1kzw s GLU 63 CO -0.02 0.59 1.67 1.28 -0.54 0.00 0.00 175.26 178.24 1kzw n LEU 64 N 1.69 3.43 0.00 2.70 4.77 -1.02 -2.29 117.00 126.28 1kzw n LEU 64 Ca -0.08 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 1kzw n LEU 64 Cb 0.50 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1kzw n LEU 64 CO 0.44 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1kzw n GLY 65 N 3.72 2.39 3.74 -0.72 0.00 -0.44 -5.00 105.19 108.88 1kzw n GLY 65 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.57 4.86 -0.34 1.61 1.01 -0.97 -4.91 120.40 119.09 1kzw s VAL 66 Ca 0.00 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.24 1kzw s VAL 66 Cb 0.00 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.31 1kzw s VAL 66 CO 0.00 0.33 1.23 -0.89 0.00 0.00 0.00 175.10 175.77 1kzw s THR 67 N 0.24 4.22 0.11 3.92 2.01 -1.26 -4.40 115.64 120.47 1kzw s THR 67 Ca 0.38 1.35 -0.00 0.00 0.31 0.00 0.00 61.69 63.73 1kzw s THR 67 Cb -0.19 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 1kzw s THR 67 CO 0.21 -0.59 0.01 0.72 -0.69 0.00 0.00 174.62 174.28 1kzw s PHE 68 N 4.32 0.83 -0.43 4.92 -0.71 -0.34 -4.83 117.98 121.73 1kzw s PHE 68 Ca 0.53 -1.11 -0.25 0.00 -1.04 0.00 0.00 56.93 55.06 1kzw s PHE 68 Cb -0.14 -0.50 0.02 0.00 -1.21 0.00 0.00 43.02 41.20 1kzw s PHE 68 CO 0.23 -0.38 0.88 1.21 -1.34 0.00 0.00 175.22 175.83 1kzw s ASN 69 N -3.03 6.51 0.18 1.98 3.84 -1.26 -1.41 114.94 121.75 1kzw s ASN 69 Ca 0.18 0.17 0.04 0.00 0.21 0.00 0.00 52.86 53.46 1kzw s ASN 69 Cb 0.07 -2.43 -0.04 0.00 -0.55 0.00 0.00 41.25 38.30 1kzw s ASN 69 CO -0.02 -0.96 0.24 -0.47 -2.79 0.00 0.00 177.10 173.10 1kzw s TYR 70 N 3.55 3.34 0.08 0.43 5.04 0.71 -4.86 117.35 125.63 1kzw s TYR 70 Ca 0.35 0.03 0.07 0.00 -2.44 0.00 0.00 57.07 55.08 1kzw s TYR 70 Cb -0.11 -1.58 -0.03 0.00 0.35 0.00 0.00 41.96 40.59 1kzw s TYR 70 CO 0.23 0.51 -0.18 -0.80 -1.34 0.00 0.00 175.55 173.97 1kzw s ASN 71 N -3.36 2.20 0.00 4.32 0.02 -1.26 -0.95 114.94 115.91 1kzw s ASN 71 Ca 0.33 -0.64 0.00 0.00 -1.02 0.00 0.00 52.86 51.53 1kzw s ASN 71 Cb -0.10 -0.11 0.00 0.00 0.02 0.00 0.00 41.25 41.06 1kzw s ASN 71 CO 0.27 0.02 0.00 0.18 0.02 0.00 0.00 177.10 177.59 1kzw n LEU 72 N 1.25 0.00 -3.00 0.60 4.77 -1.26 -5.05 117.00 114.30 1kzw n LEU 72 Ca -0.20 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.64 1kzw n LEU 72 Cb 0.54 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1kzw n LEU 72 CO 0.22 0.00 -0.03 0.00 -1.33 0.00 0.00 177.39 176.25 1kzw n ALA 73 N -3.00 1.27 -0.87 -1.18 0.00 -1.26 -4.89 120.51 110.58 1kzw n ALA 73 Ca 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 53.44 50.70 1kzw n ALA 73 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.25 0.00 0.00 0.00 -0.08 -1.26 -4.80 116.55 110.66 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 0.69 0.07 0.00 0.00 2.34 0.00 0.00 41.12 44.22 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 -1.06 -2.09 3.05 0.27 0.00 -1.26 -5.10 105.19 99.00 1kzw n GLY 75 Ca 0.00 1.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.90 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 -0.35 -0.32 2.61 2.01 -1.26 -5.09 115.64 113.23 1kzw s THR 76 Ca 0.00 0.24 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 1kzw s THR 76 Cb 0.00 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1kzw s THR 76 CO 0.00 0.10 0.31 -1.61 -0.69 0.00 0.00 174.62 172.73 1kzw s GLU 77 N 2.18 3.66 -0.33 4.92 2.02 -1.26 -4.18 118.70 125.71 1kzw s GLU 77 Ca -0.01 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.57 1kzw s GLU 77 Cb -0.12 -3.77 0.07 0.00 0.10 0.00 0.00 34.13 30.42 1kzw s GLU 77 CO -0.09 -0.43 0.05 -0.51 0.02 0.00 0.00 175.26 174.30 1kzw s LEU 78 N 1.93 4.33 -0.27 1.80 1.43 -0.13 -1.47 118.68 126.31 1kzw s LEU 78 Ca 0.10 -1.60 -0.27 0.00 -1.03 0.00 0.00 54.13 51.33 1kzw s LEU 78 Cb -0.17 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1kzw s LEU 78 CO 0.11 -0.34 0.94 0.00 0.23 0.00 0.00 176.35 177.29 1kzw s ARG 79 N 1.16 4.14 0.00 1.70 1.70 0.12 -0.21 118.95 127.56 1kzw s ARG 79 Ca 0.00 1.04 0.00 0.00 -0.47 0.00 0.00 55.73 56.30 1kzw s ARG 79 Cb -0.20 -3.68 0.00 0.00 -0.57 0.00 0.00 34.95 30.50 1kzw s ARG 79 CO -0.03 -0.66 0.00 0.41 -1.08 0.00 0.00 175.30 173.93 1kzw n GLY 80 N 3.72 -1.15 2.98 3.88 0.00 -0.50 -1.47 105.19 112.66 1kzw n GLY 80 Ca 0.09 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 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 1.18 -0.07 2.61 -4.23 -0.95 -1.20 115.64 109.97 1kzw s THR 81 Ca 0.00 -0.44 -0.24 0.00 -1.18 0.00 0.00 61.69 59.83 1kzw s THR 81 Cb 0.00 -1.12 -0.03 0.00 1.34 0.00 0.00 72.50 72.69 1kzw s THR 81 CO 0.00 0.38 0.73 0.26 -0.54 0.00 0.00 174.62 175.45 1kzw s TRP 82 N 1.16 3.57 -0.04 3.99 0.52 -1.26 -1.60 118.94 125.28 1kzw s TRP 82 Ca -0.05 1.28 0.06 0.00 0.02 0.00 0.00 56.10 57.41 1kzw s TRP 82 Cb -0.14 -2.85 -0.01 0.00 -1.15 0.00 0.00 33.47 29.32 1kzw s TRP 82 CO -0.03 0.05 -0.22 0.45 0.02 0.00 0.00 176.95 177.23 1kzw s SER 83 N 0.85 2.63 -0.49 2.95 0.15 -0.50 -1.33 113.70 117.97 1kzw s SER 83 Ca 0.39 -0.42 -0.21 0.00 0.70 0.00 0.00 55.95 56.40 1kzw s SER 83 Cb -0.18 -0.53 0.04 0.00 -1.71 0.00 0.00 66.02 63.64 1kzw s SER 83 CO 0.18 0.23 0.72 -0.22 1.20 0.00 0.00 173.24 175.36 1kzw s LEU 84 N -0.27 4.53 -1.03 3.45 2.96 -1.26 -0.67 118.68 126.38 1kzw s LEU 84 Ca 0.02 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.39 1kzw s LEU 84 Cb -0.11 -2.69 0.28 0.00 0.50 0.00 0.00 46.19 44.17 1kzw s LEU 84 CO 0.01 -0.93 1.15 -0.62 -1.32 0.00 0.00 176.35 174.65 1kzw n GLU 85 N 6.56 3.62 0.00 1.98 1.02 0.73 -4.96 120.64 129.58 1kzw n GLU 85 Ca -0.02 -4.51 0.00 0.00 -0.02 0.00 0.00 57.16 52.61 1kzw n GLU 85 Cb 0.47 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 1kzw n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kzw n GLY 86 N 2.01 1.22 1.69 0.62 0.00 -1.26 -2.50 105.19 106.96 1kzw n GLY 86 Ca 0.25 0.25 -0.00 0.00 0.00 0.00 0.00 46.02 46.51 1kzw n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kzw n ASN 87 N 8.44 4.48 -3.87 1.61 3.02 -1.26 -4.86 115.26 122.82 1kzw n ASN 87 Ca 0.00 -2.86 -0.28 0.00 -0.03 0.00 0.00 54.58 51.41 1kzw n ASN 87 Cb 0.00 -0.68 -0.16 0.00 -0.61 0.00 0.00 39.78 38.33 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 -2.44 1.31 -0.59 3.52 1.02 -1.04 -2.92 119.74 118.60 1kzw s LYS 88 Ca 0.43 -0.50 -0.25 0.00 0.02 0.00 0.00 55.97 55.67 1kzw s LYS 88 Cb 0.34 -2.00 0.04 0.00 -0.52 0.00 0.00 37.83 35.69 1kzw s LYS 88 CO 0.12 -0.46 1.05 -0.51 -0.92 0.00 0.00 175.35 174.63 1kzw s LEU 89 N 1.66 3.84 -0.36 3.17 1.43 0.11 -0.19 118.68 128.35 1kzw s LEU 89 Ca 0.00 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 1kzw s LEU 89 Cb -0.16 -2.86 -0.00 0.00 0.03 0.00 0.00 46.19 43.21 1kzw s LEU 89 CO -0.07 -1.39 0.50 -0.51 0.23 0.00 0.00 176.35 175.11 1kzw s ILE 90 N 4.44 5.03 -0.53 -0.59 2.07 0.15 -0.64 121.20 131.13 1kzw s ILE 90 Ca 0.34 0.27 -0.13 0.00 -1.41 0.00 0.00 60.65 59.72 1kzw s ILE 90 Cb -0.11 -3.96 0.13 0.00 0.13 0.00 0.00 42.46 38.65 1kzw s ILE 90 CO 0.20 -0.23 0.45 -0.83 -1.91 0.00 0.00 174.94 172.62 1kzw s GLY 91 N 1.77 2.11 -0.84 1.50 0.00 0.26 -1.41 107.32 110.72 1kzw s GLY 91 Ca 0.18 -2.60 -0.19 0.00 0.00 0.00 0.00 44.72 42.10 1kzw s GLY 91 CO 0.13 1.17 1.03 0.54 0.00 0.00 0.00 173.10 175.97 1kzw s LYS 92 N 1.38 3.46 -0.06 2.90 1.02 -0.62 -1.13 119.74 126.68 1kzw s LYS 92 Ca 0.05 -1.60 0.06 0.00 0.02 0.00 0.00 55.97 54.50 1kzw s LYS 92 Cb -0.27 -4.70 -0.01 0.00 -0.52 0.00 0.00 37.83 32.33 1kzw s LYS 92 CO 0.01 -1.73 -0.25 -0.06 -0.92 0.00 0.00 175.35 172.41 1kzw s PHE 93 N 2.75 2.42 0.04 3.18 0.08 -1.26 -2.25 117.98 122.94 1kzw s PHE 93 Ca 0.28 -0.76 0.07 0.00 0.12 0.00 0.00 56.93 56.64 1kzw s PHE 93 Cb -0.09 -1.59 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 1kzw s PHE 93 CO -0.04 -0.24 -0.17 0.15 -0.10 0.00 0.00 175.22 174.81 1kzw s LYS 94 N -0.09 2.11 -0.02 0.44 1.02 -0.54 -0.64 119.74 122.03 1kzw s LYS 94 Ca -0.06 -0.96 -0.30 0.00 0.02 0.00 0.00 55.97 54.68 1kzw s LYS 94 Cb -0.14 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 1kzw s LYS 94 CO 0.04 0.55 1.44 1.03 -0.92 0.00 0.00 175.35 177.49 1kzw s ARG 95 N -1.44 4.26 -1.56 1.68 0.52 -0.34 -0.71 118.95 121.36 1kzw s ARG 95 Ca 0.15 1.99 -0.09 0.00 -0.52 0.00 0.00 55.73 57.26 1kzw s ARG 95 Cb -0.11 -3.65 -0.07 0.00 0.52 0.00 0.00 34.95 31.64 1kzw s ARG 95 CO 0.06 -0.64 2.92 -2.37 0.02 0.00 0.00 175.30 175.29 1kzw n THR 96 N 4.85 4.39 0.10 0.02 5.66 -0.54 -1.40 114.28 127.37 1kzw n THR 96 Ca 0.14 -2.74 0.00 0.00 -3.05 0.00 0.00 64.05 58.40 1kzw n THR 96 Cb 0.43 -2.55 0.00 0.00 -1.55 0.00 0.00 70.33 66.66 1kzw n THR 96 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1kzw n ASP 97 N 3.37 -1.78 0.13 1.09 2.03 -1.26 -4.94 116.55 115.18 1kzw n ASP 97 Ca 0.77 0.52 -0.23 0.00 0.52 0.00 0.00 54.79 56.37 1kzw n ASP 97 Cb 0.25 1.88 -0.15 0.00 -0.72 0.00 0.00 41.12 42.37 1kzw n ASP 97 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1kzw h ASN 98 N 0.00 0.74 0.00 1.67 4.21 -1.97 -3.49 115.58 116.74 1kzw h ASN 98 Ca 0.00 -0.80 0.00 0.00 1.21 0.00 0.00 56.30 56.71 1kzw h ASN 98 Cb 0.00 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 36.96 1kzw h ASN 98 CO 0.00 1.63 0.00 0.61 -1.29 0.00 0.00 177.43 178.38 1kzw n GLY 99 N 1.68 2.70 3.77 2.83 0.00 -0.49 -5.03 105.19 110.65 1kzw n GLY 99 Ca -0.15 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 0.64 6.24 0.11 1.61 -0.87 -1.26 -4.00 114.94 117.40 1kzw s ASN 100 Ca 0.00 2.62 -0.31 0.00 -1.57 0.00 0.00 52.86 53.60 1kzw s ASN 100 Cb 0.00 -2.63 -0.08 0.00 -0.02 0.00 0.00 41.25 38.52 1kzw s ASN 100 CO 0.00 -0.90 1.39 -1.61 -2.57 0.00 0.00 177.10 173.42 1kzw s GLU 101 N -2.32 4.32 -0.58 -0.60 2.02 -1.26 -1.20 118.70 119.08 1kzw s GLU 101 Ca 0.58 2.07 0.04 0.00 0.02 0.00 0.00 54.97 57.69 1kzw s GLU 101 Cb -0.37 -3.27 0.15 0.00 0.10 0.00 0.00 34.13 30.73 1kzw s GLU 101 CO 0.47 -0.45 0.35 -1.17 0.02 0.00 0.00 175.26 174.48 1kzw s LEU 102 N 1.20 4.25 -0.49 1.80 0.20 0.19 -2.94 118.68 122.90 1kzw s LEU 102 Ca 0.65 -3.29 -0.27 0.00 0.69 0.00 0.00 54.13 51.91 1kzw s LEU 102 Cb -0.37 -1.54 0.03 0.00 -0.43 0.00 0.00 46.19 43.88 1kzw s LEU 102 CO 0.30 -0.18 1.03 0.20 -0.29 0.00 0.00 176.35 177.41 1kzw s ASN 103 N -0.65 6.51 -0.31 3.68 0.01 -0.25 -4.09 114.94 119.83 1kzw s ASN 103 Ca 0.20 0.17 -0.04 0.00 -0.71 0.00 0.00 52.86 52.48 1kzw s ASN 103 Cb -0.17 -2.49 0.04 0.00 0.41 0.00 0.00 41.25 39.04 1kzw s ASN 103 CO -0.07 -1.19 0.04 -0.89 -1.51 0.00 0.00 177.10 173.49 1kzw s THR 104 N 4.14 3.42 -0.45 1.60 2.01 -0.29 -0.78 115.64 125.29 1kzw s THR 104 Ca 0.40 -1.14 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 1kzw s THR 104 Cb -0.09 -2.89 0.11 0.00 0.01 0.00 0.00 72.50 69.63 1kzw s THR 104 CO 0.27 -0.07 0.31 -0.69 -0.69 0.00 0.00 174.62 173.76 1kzw s VAL 105 N 1.36 4.17 -0.30 3.82 1.01 0.04 -0.57 120.40 129.92 1kzw s VAL 105 Ca -0.02 -1.67 -0.25 0.00 0.00 0.00 0.00 61.98 60.03 1kzw s VAL 105 Cb -0.19 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1kzw s VAL 105 CO 0.00 -0.68 0.88 -0.13 0.00 0.00 0.00 175.10 175.18 1kzw s ARG 106 N 1.37 4.02 -0.11 2.72 0.52 0.19 -1.27 118.95 126.39 1kzw s ARG 106 Ca 0.05 0.79 -0.08 0.00 -0.52 0.00 0.00 55.73 55.97 1kzw s ARG 106 Cb -0.25 -3.72 0.04 0.00 0.52 0.00 0.00 34.95 31.54 1kzw s ARG 106 CO 0.00 -0.73 0.28 -1.83 0.02 0.00 0.00 175.30 173.05 1kzw s GLU 107 N 3.15 0.29 -0.38 3.54 -1.05 -0.50 0.06 118.70 123.82 1kzw s GLU 107 Ca 0.37 0.49 -0.25 0.00 -0.15 0.00 0.00 54.97 55.43 1kzw s GLU 107 Cb -0.14 0.03 0.01 0.00 -0.44 0.00 0.00 34.13 33.60 1kzw s GLU 107 CO 0.12 -0.10 0.88 0.42 0.95 0.00 0.00 175.26 177.54 1kzw s ILE 108 N 0.71 4.62 -1.02 1.83 1.09 -1.15 -0.40 121.20 126.88 1kzw s ILE 108 Ca -0.05 1.06 -0.13 0.00 -1.10 0.00 0.00 60.65 60.43 1kzw s ILE 108 Cb -0.06 -4.31 0.22 0.00 -1.06 0.00 0.00 42.46 37.25 1kzw s ILE 108 CO -0.05 -0.53 1.08 -0.63 -0.10 0.00 0.00 174.94 174.71 1kzw s ILE 109 N 3.39 5.49 0.00 2.92 -1.09 -0.59 -4.86 121.20 126.45 1kzw s ILE 109 Ca 0.36 -2.70 0.00 0.00 -2.23 0.00 0.00 60.65 56.08 1kzw s ILE 109 Cb -0.12 -4.66 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 1kzw s ILE 109 CO 0.19 -1.28 0.00 0.61 -1.23 0.00 0.00 174.94 173.23 1kzw n GLY 110 N 3.79 1.76 0.11 6.18 0.00 -1.26 -3.68 105.19 112.10 1kzw n GLY 110 Ca 0.24 0.21 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 1kzw n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kzw n ASP 111 N 4.42 2.31 -4.83 1.61 5.75 -1.26 -5.01 116.55 119.55 1kzw n ASP 111 Ca 0.00 -0.10 -0.36 0.00 -0.01 0.00 0.00 54.79 54.31 1kzw n ASP 111 Cb 0.00 -0.35 -0.07 0.00 -1.03 0.00 0.00 41.12 39.67 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 -2.43 3.31 -0.40 0.11 2.02 -1.24 -4.39 118.70 115.68 1kzw s GLU 112 Ca -0.29 -0.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 1kzw s GLU 112 Cb 0.08 -3.08 0.01 0.00 0.10 0.00 0.00 34.13 31.24 1kzw s GLU 112 CO 0.49 0.75 1.30 -1.17 0.02 0.00 0.00 175.26 176.66 1kzw s LEU 113 N -1.04 3.67 -0.28 1.80 2.96 -0.72 -1.55 118.68 123.52 1kzw s LEU 113 Ca 0.15 0.81 -0.12 0.00 -0.22 0.00 0.00 54.13 54.76 1kzw s LEU 113 Cb -0.12 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 1kzw s LEU 113 CO 0.04 -1.29 0.22 0.68 -1.32 0.00 0.00 176.35 174.68 1kzw s VAL 114 N 4.88 5.29 -0.52 1.68 -7.23 0.46 -0.39 120.40 124.56 1kzw s VAL 114 Ca 0.56 0.24 -0.13 0.00 -1.81 0.00 0.00 61.98 60.84 1kzw s VAL 114 Cb -0.12 -3.56 0.13 0.00 0.56 0.00 0.00 36.38 33.39 1kzw s VAL 114 CO 0.30 0.23 0.44 -1.58 -0.31 0.00 0.00 175.10 174.18 1kzw s GLN 115 N 1.81 2.77 -0.40 4.82 0.74 -0.09 -1.41 119.66 127.91 1kzw s GLN 115 Ca 0.08 -1.78 -0.19 0.00 0.05 0.00 0.00 55.36 53.53 1kzw s GLN 115 Cb -0.16 -4.13 0.01 0.00 1.10 0.00 0.00 33.01 29.84 1kzw s GLN 115 CO 0.11 -1.27 0.52 0.99 -0.55 0.00 0.00 175.29 175.10 1kzw s THR 116 N 1.41 4.99 -0.05 -0.34 2.01 -0.39 -1.43 115.64 121.83 1kzw s THR 116 Ca 0.05 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.91 1kzw s THR 116 Cb -0.27 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 1kzw s THR 116 CO 0.01 -0.39 0.55 -0.31 -0.69 0.00 0.00 174.62 173.79 1kzw s TYR 117 N 2.43 3.62 -0.33 4.92 2.02 0.57 -0.78 117.35 129.81 1kzw s TYR 117 Ca 0.18 1.08 0.04 0.00 -0.37 0.00 0.00 57.07 57.99 1kzw s TYR 117 Cb -0.16 -2.58 0.09 0.00 -0.40 0.00 0.00 41.96 38.92 1kzw s TYR 117 CO 0.15 0.29 0.03 0.08 -1.57 0.00 0.00 175.55 174.53 1kzw s VAL 118 N 0.09 2.28 -0.76 0.71 1.01 0.04 -1.85 120.40 121.93 1kzw s VAL 118 Ca 0.29 -2.23 -0.17 0.00 0.00 0.00 0.00 61.98 59.87 1kzw s VAL 118 Cb -0.17 -2.64 0.15 0.00 0.00 0.00 0.00 36.38 33.72 1kzw s VAL 118 CO 0.15 -0.51 0.84 -0.47 0.00 0.00 0.00 175.10 175.10 1kzw s TYR 119 N 0.94 3.28 0.00 5.22 5.04 -1.16 -1.09 117.35 129.57 1kzw s TYR 119 Ca 0.08 -1.41 0.00 0.00 -2.44 0.00 0.00 57.07 53.30 1kzw s TYR 119 Cb -0.19 -4.02 0.00 0.00 0.35 0.00 0.00 41.96 38.09 1kzw s TYR 119 CO -0.07 -1.25 0.00 0.39 -1.34 0.00 0.00 175.55 173.28 1kzw n GLU 120 N 5.63 0.00 -2.89 4.97 -0.58 -1.15 -3.40 120.64 123.22 1kzw n GLU 120 Ca 0.07 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.69 1kzw n GLU 120 Cb 0.46 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.37 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 0.00 1.50 2.79 0.62 0.00 -1.26 -5.12 105.19 103.72 1kzw n GLY 121 Ca 0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.51 -0.30 -0.28 1.61 0.11 -1.22 -5.14 120.40 114.66 1kzw s VAL 122 Ca 0.29 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 59.16 1kzw s VAL 122 Cb 0.29 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1kzw s VAL 122 CO -0.09 -0.09 0.73 -0.70 -3.33 0.00 0.00 175.10 171.63 1kzw s GLU 123 N 2.32 4.03 -0.05 1.54 2.12 -1.26 -3.00 118.70 124.40 1kzw s GLU 123 Ca 0.05 0.61 0.02 0.00 0.36 0.00 0.00 54.97 56.01 1kzw s GLU 123 Cb -0.14 -3.69 0.01 0.00 0.26 0.00 0.00 34.13 30.57 1kzw s GLU 123 CO -0.10 -0.57 -0.10 0.00 -0.54 0.00 0.00 175.26 173.96 1kzw s ALA 124 N 2.77 1.04 -0.22 6.30 0.00 -0.77 -4.75 121.76 126.12 1kzw s ALA 124 Ca 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 1kzw s ALA 124 Cb -0.15 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1kzw s ALA 124 CO 0.10 0.10 -0.09 0.15 0.00 0.00 0.00 175.76 176.02 1kzw s LYS 125 N 0.60 3.05 -0.52 0.00 1.02 -0.47 -0.31 119.74 123.10 1kzw s LYS 125 Ca -0.11 -0.83 -0.19 0.00 0.02 0.00 0.00 55.97 54.86 1kzw s LYS 125 Cb -0.14 -2.88 0.06 0.00 -0.52 0.00 0.00 37.83 34.35 1kzw s LYS 125 CO 0.02 -0.28 0.66 1.03 -0.92 0.00 0.00 175.35 175.86 1kzw s ARG 126 N 1.36 3.12 -0.14 1.68 1.81 -0.52 -0.64 118.95 125.62 1kzw s ARG 126 Ca 0.03 -0.91 -0.20 0.00 -1.72 0.00 0.00 55.73 52.93 1kzw s ARG 126 Cb -0.15 -4.12 -0.03 0.00 -0.45 0.00 0.00 34.95 30.20 1kzw s ARG 126 CO -0.06 -1.29 0.58 0.42 -0.68 0.00 0.00 175.30 174.26 1kzw s ILE 127 N 2.75 5.09 -0.12 1.52 1.09 -0.87 -0.91 121.20 129.75 1kzw s ILE 127 Ca 0.16 1.14 0.01 0.00 -1.10 0.00 0.00 60.65 60.86 1kzw s ILE 127 Cb -0.19 -3.91 -0.01 0.00 -1.06 0.00 0.00 42.46 37.28 1kzw s ILE 127 CO 0.11 0.22 -0.16 -0.36 -0.10 0.00 0.00 174.94 174.65 1kzw s PHE 128 N 1.23 2.74 0.33 3.97 0.40 0.47 -0.46 117.98 126.65 1kzw s PHE 128 Ca 0.29 -0.73 -0.26 0.00 -0.60 0.00 0.00 56.93 55.63 1kzw s PHE 128 Cb -0.16 -1.80 -0.10 0.00 0.51 0.00 0.00 43.02 41.47 1kzw s PHE 128 CO 0.12 -0.25 0.98 0.21 0.70 0.00 0.00 175.22 176.97 1kzw s LYS 129 N 0.31 4.53 -0.12 0.44 2.20 0.66 -1.76 119.74 126.01 1kzw s LYS 129 Ca -0.12 1.42 -0.29 0.00 -0.36 0.00 0.00 55.97 56.61 1kzw s LYS 129 Cb -0.16 -2.82 -0.06 0.00 -1.51 0.00 0.00 37.83 33.28 1kzw s LYS 129 CO 0.06 0.21 2.01 0.21 -0.36 0.00 0.00 175.35 177.48 1kzw s LYS 130 N -2.02 3.66 0.00 4.03 2.47 -1.26 -1.89 119.74 124.73 1kzw s LYS 130 Ca 0.50 2.20 0.00 0.00 -1.56 0.00 0.00 55.97 57.11 1kzw s LYS 130 Cb -0.21 -4.23 0.00 0.00 -1.46 0.00 0.00 37.83 31.94 1kzw s LYS 130 CO 0.27 -1.49 0.00 -3.47 0.16 0.00 0.00 175.35 170.82