#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kzw h PHE 2 N 0.00 0.00 -6.28 0.00 -1.00 -1.92 -3.50 116.94 104.24 1kzw h PHE 2 Ca 0.00 0.00 -0.39 0.00 2.81 0.00 0.00 57.97 60.39 1kzw h PHE 2 Cb 0.00 0.00 0.04 0.00 3.61 0.00 0.00 35.95 39.60 1kzw h PHE 2 CO 0.00 0.00 -0.83 -3.47 -1.61 0.00 0.00 178.31 172.40 1kzw n ASP 3 N -2.28 -5.53 -3.53 2.17 2.03 -1.01 -5.00 116.55 103.42 1kzw n ASP 3 Ca -0.00 -0.88 -0.09 0.00 0.52 0.00 0.00 54.79 54.34 1kzw n ASP 3 Cb 0.01 -3.12 -0.03 0.00 -0.72 0.00 0.00 41.12 37.25 1kzw n ASP 3 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1kzw s SER 4 N -3.28 -0.38 -0.17 1.67 0.01 -0.36 -4.95 113.70 106.25 1kzw s SER 4 Ca 0.29 0.15 -0.16 0.00 1.31 0.00 0.00 55.95 57.54 1kzw s SER 4 Cb -0.11 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 1kzw s SER 4 CO 0.86 -0.53 0.39 -0.89 0.41 0.00 0.00 173.24 173.47 1kzw s THR 5 N -2.44 5.23 -0.27 1.44 2.01 -1.26 -1.10 115.64 119.24 1kzw s THR 5 Ca 0.02 0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.75 1kzw s THR 5 Cb -0.01 -3.72 0.08 0.00 0.01 0.00 0.00 72.50 68.86 1kzw s THR 5 CO -0.05 0.31 0.03 0.26 -0.69 0.00 0.00 174.62 174.48 1kzw s TRP 6 N 0.90 2.21 -0.11 4.92 0.52 -0.33 -0.61 118.94 126.45 1kzw s TRP 6 Ca 0.20 -1.85 -0.10 0.00 0.02 0.00 0.00 56.10 54.38 1kzw s TRP 6 Cb -0.14 -1.78 -0.05 0.00 -1.15 0.00 0.00 33.47 30.35 1kzw s TRP 6 CO 0.07 -0.82 0.21 0.21 0.02 0.00 0.00 176.95 176.64 1kzw s LYS 7 N 1.45 3.69 0.02 4.98 2.47 -0.20 -0.74 119.74 131.41 1kzw s LYS 7 Ca 0.03 -0.01 -0.30 0.00 -1.56 0.00 0.00 55.97 54.13 1kzw s LYS 7 Cb -0.18 -3.24 -0.08 0.00 -1.46 0.00 0.00 37.83 32.87 1kzw s LYS 7 CO -0.13 0.66 1.82 0.54 0.16 0.00 0.00 175.35 178.40 1kzw s VAL 8 N -0.75 3.17 -0.20 4.02 0.11 -0.75 -0.66 120.40 125.33 1kzw s VAL 8 Ca 0.16 0.30 -0.17 0.00 -2.93 0.00 0.00 61.98 59.34 1kzw s VAL 8 Cb -0.13 -3.19 -0.08 0.00 -1.53 0.00 0.00 36.38 31.45 1kzw s VAL 8 CO 0.05 -0.02 -0.34 -0.67 -3.33 0.00 0.00 175.10 170.79 1kzw n ASP 9 N 7.05 1.94 -3.67 3.54 -0.08 0.36 -4.86 116.55 120.83 1kzw n ASP 9 Ca 0.18 0.34 -0.09 0.00 -1.51 0.00 0.00 54.79 53.72 1kzw n ASP 9 Cb 0.41 -0.77 -0.10 0.00 2.34 0.00 0.00 41.12 43.01 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 -2.79 0.39 -0.52 -0.67 1.70 -0.94 -5.02 118.95 111.10 1kzw s ARG 10 Ca -0.31 0.98 -0.17 0.00 -0.47 0.00 0.00 55.73 55.75 1kzw s ARG 10 Cb 0.07 0.21 0.08 0.00 -0.57 0.00 0.00 34.95 34.74 1kzw s ARG 10 CO 0.44 -0.21 0.55 -1.54 -1.08 0.00 0.00 175.30 173.46 1kzw s SER 11 N 2.11 6.19 -0.33 -2.89 1.04 -1.26 -1.30 113.70 117.25 1kzw s SER 11 Ca -0.05 -1.28 -0.12 0.00 0.48 0.00 0.00 55.95 54.97 1kzw s SER 11 Cb -0.10 -2.25 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 1kzw s SER 11 CO -0.14 -0.86 0.22 -1.61 0.98 0.00 0.00 173.24 171.84 1kzw s GLU 12 N 2.18 3.54 -1.58 4.02 0.41 0.02 -4.07 118.70 123.22 1kzw s GLU 12 Ca 0.09 -0.61 0.00 0.00 -0.41 0.00 0.00 54.97 54.04 1kzw s GLU 12 Cb -0.23 -3.76 0.00 0.00 -1.78 0.00 0.00 34.13 28.36 1kzw s GLU 12 CO 0.08 -0.41 0.00 -1.71 -0.49 0.00 0.00 175.26 172.73 1kzw n ASN 13 N 5.09 -4.80 0.01 -0.19 5.15 -1.26 -0.89 115.26 118.37 1kzw n ASN 13 Ca -0.13 0.36 -0.11 0.00 -0.60 0.00 0.00 54.58 54.11 1kzw n ASN 13 Cb 0.50 -3.63 0.03 0.00 -0.53 0.00 0.00 39.78 36.15 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 0.70 -0.43 1.20 3.20 -1.91 -3.09 116.97 116.65 1kzw h TYR 14 Ca -0.31 -0.27 0.07 0.00 3.14 0.00 0.00 58.73 61.36 1kzw h TYR 14 Cb 0.99 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1kzw h TYR 14 CO 0.42 1.03 0.30 -0.44 -1.64 0.00 0.00 178.16 177.82 1kzw h ASP 15 N 0.40 0.23 -0.07 -2.11 3.32 -1.92 -0.10 116.42 116.18 1kzw h ASP 15 Ca -0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1kzw h ASP 15 Cb 1.19 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1kzw h ASP 15 CO 0.12 0.15 -0.18 0.11 -1.72 0.00 0.00 179.24 177.71 1kzw h LYS 16 N 0.27 0.25 -0.31 3.56 6.56 -1.98 -1.97 116.57 122.94 1kzw h LYS 16 Ca 0.20 -0.18 0.07 0.00 -1.06 0.00 0.00 60.65 59.68 1kzw h LYS 16 Cb 0.43 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 32.04 1kzw h LYS 16 CO -0.04 0.78 -0.24 0.35 -2.06 0.00 0.00 179.45 178.24 1kzw h PHE 17 N -0.23 -0.63 -0.33 -1.35 3.57 -1.45 -1.86 116.94 114.66 1kzw h PHE 17 Ca -0.00 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1kzw h PHE 17 Cb 0.79 0.33 -0.08 0.00 2.79 0.00 0.00 35.95 39.77 1kzw h PHE 17 CO 0.12 -0.32 -0.45 0.52 -2.23 0.00 0.00 178.31 175.96 1kzw h MET 18 N -0.21 -0.37 -0.77 1.11 2.86 -1.11 -2.29 114.93 114.15 1kzw h MET 18 Ca 0.16 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.97 1kzw h MET 18 Cb 0.46 0.08 -0.14 0.00 0.06 0.00 0.00 31.60 32.06 1kzw h MET 18 CO -0.44 -0.25 -0.28 1.49 1.06 0.00 0.00 176.91 178.50 1kzw h GLU 19 N -0.39 -0.05 -0.72 1.72 4.22 -1.25 -2.05 114.58 116.06 1kzw h GLU 19 Ca 0.11 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.64 1kzw h GLU 19 Cb 0.60 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1kzw h GLU 19 CO -0.53 -0.04 0.47 0.87 -2.18 0.00 0.00 179.01 177.61 1kzw h LYS 20 N -0.06 0.64 0.00 1.92 1.79 -1.13 -3.09 116.57 116.64 1kzw h LYS 20 Ca 0.33 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1kzw h LYS 20 Cb 0.58 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1kzw h LYS 20 CO -0.81 0.42 0.00 0.52 -1.08 0.00 0.00 179.45 178.50 1kzw h MET 21 N 0.65 0.00 -0.69 3.15 2.86 -0.79 -3.49 114.93 116.62 1kzw h MET 21 Ca 0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1kzw h MET 21 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1kzw h MET 21 CO -0.11 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.27 1kzw n GLY 22 N 0.38 0.79 3.30 8.32 0.00 -1.17 -5.12 105.19 111.69 1kzw n GLY 22 Ca 0.02 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.23 1.63 0.61 1.61 -7.23 -1.26 -5.10 120.40 108.43 1kzw s VAL 23 Ca 0.00 -1.91 -0.17 0.00 -1.81 0.00 0.00 61.98 58.09 1kzw s VAL 23 Cb 0.00 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1kzw s VAL 23 CO 0.00 -0.41 1.11 0.20 -0.31 0.00 0.00 175.10 175.69 1kzw s ASN 24 N -2.74 5.40 0.30 4.85 0.01 -1.26 -4.90 114.94 116.60 1kzw s ASN 24 Ca 0.15 2.04 -0.01 0.00 -0.71 0.00 0.00 52.86 54.32 1kzw s ASN 24 Cb -0.04 -2.56 0.46 0.00 0.41 0.00 0.00 41.25 39.52 1kzw s ASN 24 CO 0.05 -1.43 1.95 -0.29 -1.51 0.00 0.00 177.10 175.87 1kzw h ILE 25 N 0.49 1.17 -0.24 0.60 2.10 -2.01 -0.81 117.51 118.81 1kzw h ILE 25 Ca -0.48 -0.38 0.02 0.00 1.08 0.00 0.00 64.86 65.10 1kzw h ILE 25 Cb 1.25 -0.03 -0.02 0.00 -1.09 0.00 0.00 36.82 36.92 1kzw h ILE 25 CO 0.55 0.20 0.11 0.58 -1.08 0.00 0.00 178.15 178.51 1kzw h VAL 26 N 1.11 0.98 -0.94 2.19 2.07 -2.00 -2.30 116.25 117.35 1kzw h VAL 26 Ca 0.33 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.87 1kzw h VAL 26 Cb -0.03 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 1kzw h VAL 26 CO -0.09 0.04 0.60 0.11 0.02 0.00 0.00 177.57 178.26 1kzw h LYS 27 N 0.24 0.94 0.06 1.57 1.79 -1.86 -1.04 116.57 118.26 1kzw h LYS 27 Ca 0.10 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1kzw h LYS 27 Cb 0.04 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 1kzw h LYS 27 CO -0.08 0.62 -0.13 0.00 -1.08 0.00 0.00 179.45 178.79 1kzw h ARG 28 N 0.97 -0.24 -0.35 3.15 3.08 -0.98 0.21 114.38 120.22 1kzw h ARG 28 Ca 0.44 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1kzw h ARG 28 Cb 0.38 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1kzw h ARG 28 CO -0.20 -0.16 0.23 0.87 -1.07 0.00 0.00 179.97 179.65 1kzw h LYS 29 N -0.25 0.47 -0.34 0.04 1.57 -1.29 -1.33 116.57 115.45 1kzw h LYS 29 Ca 0.02 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1kzw h LYS 29 Cb 0.27 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1kzw h LYS 29 CO -0.08 0.32 0.15 -0.07 -0.57 0.00 0.00 179.45 179.20 1kzw h LEU 30 N 0.48 0.45 -0.52 2.94 3.38 -1.23 -1.24 115.31 119.57 1kzw h LEU 30 Ca 0.13 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1kzw h LEU 30 Cb -0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1kzw h LEU 30 CO -0.03 0.48 0.06 0.00 0.09 0.00 0.00 178.44 179.04 1kzw h ALA 31 N 1.00 0.70 0.11 1.53 0.00 -0.95 -2.36 119.26 119.28 1kzw h ALA 31 Ca 0.11 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1kzw h ALA 31 Cb 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1kzw h ALA 31 CO -0.01 0.46 -0.40 0.00 0.00 0.00 0.00 179.25 179.30 1kzw h ALA 32 N 0.97 -0.70 -0.75 0.00 0.00 -1.32 -3.29 119.26 114.18 1kzw h ALA 32 Ca 0.16 -0.07 -0.64 0.00 0.00 0.00 0.00 54.91 54.36 1kzw h ALA 32 Cb 0.44 0.67 -0.20 0.00 0.00 0.00 0.00 17.79 18.70 1kzw h ALA 32 CO 0.01 -0.96 0.98 0.72 0.00 0.00 0.00 179.25 180.00 1kzw n HIS 33 N -5.46 2.24 0.72 0.00 8.25 -0.47 -4.77 115.22 115.73 1kzw n HIS 33 Ca -0.07 -2.25 0.13 0.00 -0.26 0.00 0.00 57.72 55.26 1kzw n HIS 33 Cb 0.37 -1.39 0.30 0.00 1.12 0.00 0.00 29.99 30.39 1kzw n HIS 33 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1kzw n ASP 34 N 0.56 0.60 -3.60 0.41 5.75 -0.89 -4.86 116.55 114.51 1kzw n ASP 34 Ca 0.52 0.22 -0.22 0.00 -0.01 0.00 0.00 54.79 55.31 1kzw n ASP 34 Cb 0.39 -0.15 0.07 0.00 -1.03 0.00 0.00 41.12 40.39 1kzw n ASP 34 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1kzw n ASN 35 N -1.96 -3.64 -4.65 -1.12 3.02 -1.26 -1.11 115.26 104.53 1kzw n ASN 35 Ca 0.05 -0.65 -0.42 0.00 -0.03 0.00 0.00 54.58 53.52 1kzw n ASN 35 Cb 0.41 -4.73 -0.03 0.00 -0.61 0.00 0.00 39.78 34.82 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 -6.85 4.10 -0.35 3.41 2.96 -1.26 -4.26 118.68 116.44 1kzw s LEU 36 Ca 0.28 1.19 -0.10 0.00 -0.22 0.00 0.00 54.13 55.28 1kzw s LEU 36 Cb -0.13 -3.33 0.02 0.00 0.50 0.00 0.00 46.19 43.24 1kzw s LEU 36 CO 0.76 -0.56 0.18 -0.75 -1.32 0.00 0.00 176.35 174.66 1kzw s LYS 37 N 2.87 2.99 -0.62 1.98 2.20 -0.08 -1.81 119.74 127.27 1kzw s LYS 37 Ca 0.39 -0.96 -0.21 0.00 -0.36 0.00 0.00 55.97 54.82 1kzw s LYS 37 Cb -0.15 -3.66 0.08 0.00 -1.51 0.00 0.00 37.83 32.59 1kzw s LYS 37 CO 0.08 -0.60 0.87 -0.51 -0.36 0.00 0.00 175.35 174.82 1kzw s LEU 38 N 1.56 4.67 -0.82 5.43 1.43 0.08 -1.74 118.68 129.28 1kzw s LEU 38 Ca 0.03 -1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 51.91 1kzw s LEU 38 Cb -0.18 -2.43 0.15 0.00 0.03 0.00 0.00 46.19 43.76 1kzw s LEU 38 CO 0.06 -1.29 0.94 -0.89 0.23 0.00 0.00 176.35 175.39 1kzw s THR 39 N 3.58 4.98 -0.71 5.49 2.01 -0.66 -1.18 115.64 129.14 1kzw s THR 39 Ca 0.19 -1.67 -0.18 0.00 0.31 0.00 0.00 61.69 60.35 1kzw s THR 39 Cb -0.19 -4.63 0.13 0.00 0.01 0.00 0.00 72.50 67.83 1kzw s THR 39 CO 0.10 -1.30 0.81 -0.63 -0.69 0.00 0.00 174.62 172.91 1kzw s ILE 40 N 2.02 4.97 -0.22 1.82 1.01 -0.26 -1.81 121.20 128.72 1kzw s ILE 40 Ca 0.24 -1.43 -0.11 0.00 0.00 0.00 0.00 60.65 59.35 1kzw s ILE 40 Cb -0.11 -4.55 -0.05 0.00 0.01 0.00 0.00 42.46 37.77 1kzw s ILE 40 CO -0.05 -1.19 0.19 -0.89 0.00 0.00 0.00 174.94 173.00 1kzw s THR 41 N 2.16 5.35 -0.11 2.92 2.01 -0.53 -1.22 115.64 126.21 1kzw s THR 41 Ca 0.17 0.28 -0.27 0.00 0.31 0.00 0.00 61.69 62.18 1kzw s THR 41 Cb -0.17 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1kzw s THR 41 CO -0.00 0.36 0.87 -1.58 -0.69 0.00 0.00 174.62 173.57 1kzw s GLN 42 N 0.89 4.39 -0.45 4.92 0.74 -1.26 -0.63 119.66 128.26 1kzw s GLN 42 Ca 0.10 1.13 0.09 0.00 0.05 0.00 0.00 55.36 56.73 1kzw s GLN 42 Cb -0.13 -3.53 0.36 0.00 1.10 0.00 0.00 33.01 30.81 1kzw s GLN 42 CO 0.03 -0.22 0.86 -1.91 -0.55 0.00 0.00 175.29 173.51 1kzw n GLU 43 N 4.73 2.02 -2.69 1.67 2.13 0.67 -4.97 120.64 124.20 1kzw n GLU 43 Ca 0.05 -4.02 -0.01 0.00 0.66 0.00 0.00 57.16 53.84 1kzw n GLU 43 Cb 0.50 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.29 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 0.00 -1.07 4.57 8.31 0.00 -1.26 -3.34 105.19 112.40 1kzw n GLY 44 Ca 0.27 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -1.33 0.00 -4.87 1.61 5.15 -1.26 -5.00 115.26 109.56 1kzw n ASN 45 Ca 0.02 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.70 1kzw n ASN 45 Cb 0.47 -0.16 -0.02 0.00 -0.53 0.00 0.00 39.78 39.54 1kzw n ASN 45 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1kzw s LYS 46 N 0.00 3.78 -0.17 1.20 1.02 -1.21 -1.99 119.74 122.37 1kzw s LYS 46 Ca 0.00 0.61 0.01 0.00 0.02 0.00 0.00 55.97 56.61 1kzw s LYS 46 Cb 0.00 -2.28 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1kzw s LYS 46 CO 0.00 -0.19 -0.20 -0.06 -0.92 0.00 0.00 175.35 173.98 1kzw s PHE 47 N -2.59 2.76 -0.55 3.18 0.08 0.08 -0.24 117.98 120.70 1kzw s PHE 47 Ca 0.53 -1.52 -0.19 0.00 0.12 0.00 0.00 56.93 55.87 1kzw s PHE 47 Cb -0.10 -1.90 0.08 0.00 -0.57 0.00 0.00 43.02 40.53 1kzw s PHE 47 CO 0.36 -0.73 0.69 0.99 -0.10 0.00 0.00 175.22 176.42 1kzw s THR 48 N 1.15 4.80 -0.44 0.64 2.01 0.20 -1.89 115.64 122.10 1kzw s THR 48 Ca 0.01 -0.68 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 1kzw s THR 48 Cb -0.14 -4.41 0.09 0.00 0.01 0.00 0.00 72.50 68.05 1kzw s THR 48 CO -0.09 -1.00 0.31 -0.69 -0.69 0.00 0.00 174.62 172.46 1kzw s VAL 49 N 2.79 4.43 -0.47 3.82 1.01 -0.15 -1.46 120.40 130.37 1kzw s VAL 49 Ca 0.14 -1.43 -0.28 0.00 0.00 0.00 0.00 61.98 60.41 1kzw s VAL 49 Cb -0.21 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1kzw s VAL 49 CO 0.10 -0.59 1.09 -0.54 0.00 0.00 0.00 175.10 175.15 1kzw s LYS 50 N 1.45 3.70 -1.02 2.72 1.02 -0.75 -0.83 119.74 126.02 1kzw s LYS 50 Ca 0.04 0.50 -0.12 0.00 0.02 0.00 0.00 55.97 56.41 1kzw s LYS 50 Cb -0.24 -3.90 0.24 0.00 -0.52 0.00 0.00 37.83 33.40 1kzw s LYS 50 CO 0.02 -1.32 1.05 -1.21 -0.92 0.00 0.00 175.35 172.97 1kzw s GLU 51 N 4.26 3.96 -0.35 1.68 2.02 0.05 -1.65 118.70 128.68 1kzw s GLU 51 Ca 0.45 -2.80 -0.17 0.00 0.02 0.00 0.00 54.97 52.47 1kzw s GLU 51 Cb -0.08 -4.61 -0.01 0.00 0.10 0.00 0.00 34.13 29.54 1kzw s GLU 51 CO 0.30 -1.36 0.46 0.45 0.02 0.00 0.00 175.26 175.12 1kzw s SER 52 N 1.94 6.27 0.22 -0.19 0.15 -0.71 -2.99 113.70 118.38 1kzw s SER 52 Ca 0.28 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.72 1kzw s SER 52 Cb -0.09 -2.24 -0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1kzw s SER 52 CO -0.07 -0.42 0.42 -0.94 1.20 0.00 0.00 173.24 173.42 1kzw s SER 53 N 1.74 -0.07 0.52 5.45 1.04 -0.14 -0.91 113.70 121.35 1kzw s SER 53 Ca 0.16 -0.87 0.19 0.00 0.48 0.00 0.00 55.95 55.91 1kzw s SER 53 Cb -0.16 0.54 1.31 0.00 0.10 0.00 0.00 66.02 67.81 1kzw s SER 53 CO 0.13 -1.05 2.09 0.00 0.98 0.00 0.00 173.24 175.39 1kzw h ALA 54 N 2.34 2.18 -0.09 5.32 0.00 -1.35 -3.00 119.26 124.66 1kzw h ALA 54 Ca -0.28 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1kzw h ALA 54 Cb 1.25 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1kzw h ALA 54 CO 0.40 -0.23 -0.48 0.74 0.00 0.00 0.00 179.25 179.67 1kzw h PHE 55 N 0.00 0.66 -2.06 0.00 -1.00 -1.95 -3.50 116.94 109.09 1kzw h PHE 55 Ca 0.09 -0.29 0.05 0.00 2.81 0.00 0.00 57.97 60.63 1kzw h PHE 55 Cb 0.36 -0.10 -0.18 0.00 3.61 0.00 0.00 35.95 39.64 1kzw h PHE 55 CO -0.00 1.07 0.42 -0.98 -1.61 0.00 0.00 178.31 177.21 1kzw s ARG 56 N -3.63 0.84 -0.28 1.51 1.70 -1.13 -5.09 118.95 112.86 1kzw s ARG 56 Ca -0.13 -0.06 0.03 0.00 -0.47 0.00 0.00 55.73 55.10 1kzw s ARG 56 Cb 0.05 0.39 0.07 0.00 -0.57 0.00 0.00 34.95 34.89 1kzw s ARG 56 CO 0.82 -0.32 -0.07 0.54 -1.08 0.00 0.00 175.30 175.19 1kzw s ASN 57 N -1.79 4.53 -0.07 -2.89 2.20 -1.25 -0.96 114.94 114.71 1kzw s ASN 57 Ca -0.01 -1.53 0.02 0.00 -0.94 0.00 0.00 52.86 50.40 1kzw s ASN 57 Cb -0.01 -1.57 0.02 0.00 -2.00 0.00 0.00 41.25 37.69 1kzw s ASN 57 CO -0.02 -0.23 -0.10 0.27 -2.94 0.00 0.00 177.10 174.08 1kzw s ILE 58 N 1.07 1.02 -0.67 0.54 -4.36 -1.16 -4.94 121.20 112.71 1kzw s ILE 58 Ca -0.05 -0.39 -0.22 0.00 -0.26 0.00 0.00 60.65 59.72 1kzw s ILE 58 Cb -0.20 -0.97 0.07 0.00 1.25 0.00 0.00 42.46 42.62 1kzw s ILE 58 CO -0.05 0.34 0.96 -1.83 0.24 0.00 0.00 174.94 174.60 1kzw s GLU 59 N 0.87 3.13 -0.57 0.37 1.03 -1.26 -0.77 118.70 121.49 1kzw s GLU 59 Ca -0.11 -0.88 -0.20 0.00 0.03 0.00 0.00 54.97 53.80 1kzw s GLU 59 Cb -0.15 -4.26 0.07 0.00 -0.80 0.00 0.00 34.13 29.00 1kzw s GLU 59 CO 0.01 -1.81 0.77 0.08 -1.33 0.00 0.00 175.26 172.98 1kzw s VAL 60 N 3.98 4.67 -0.81 1.83 1.01 -0.01 -4.86 120.40 126.20 1kzw s VAL 60 Ca 0.22 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1kzw s VAL 60 Cb -0.17 -4.48 0.13 0.00 0.00 0.00 0.00 36.38 31.87 1kzw s VAL 60 CO 0.09 -1.10 0.96 -0.69 0.00 0.00 0.00 175.10 174.37 1kzw s VAL 61 N 3.13 4.85 -0.03 2.92 1.01 -1.26 -0.98 120.40 130.03 1kzw s VAL 61 Ca 0.17 -1.47 -0.00 0.00 0.00 0.00 0.00 61.98 60.69 1kzw s VAL 61 Cb -0.20 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.49 1kzw s VAL 61 CO 0.10 -1.35 0.03 0.72 0.00 0.00 0.00 175.10 174.60 1kzw s PHE 62 N 2.43 3.17 0.22 5.22 -0.12 -0.79 -4.97 117.98 123.13 1kzw s PHE 62 Ca 0.25 0.16 -0.16 0.00 -0.05 0.00 0.00 56.93 57.12 1kzw s PHE 62 Cb -0.11 -1.73 -0.08 0.00 -0.63 0.00 0.00 43.02 40.48 1kzw s PHE 62 CO -0.04 0.49 0.65 -2.00 -0.05 0.00 0.00 175.22 174.28 1kzw s GLU 63 N -1.41 4.07 -0.36 1.99 2.12 -1.26 -0.74 118.70 123.12 1kzw s GLU 63 Ca 0.19 0.65 -0.28 0.00 0.36 0.00 0.00 54.97 55.88 1kzw s GLU 63 Cb -0.12 -2.79 -0.01 0.00 0.26 0.00 0.00 34.13 31.47 1kzw s GLU 63 CO 0.09 0.37 1.67 -0.51 -0.54 0.00 0.00 175.26 176.34 1kzw s LEU 64 N -2.24 3.53 0.00 2.70 1.43 -0.84 -3.61 118.68 119.65 1kzw s LEU 64 Ca 0.44 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 1kzw s LEU 64 Cb -0.14 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1kzw s LEU 64 CO 0.20 -1.63 0.00 0.61 0.23 0.00 0.00 176.35 175.76 1kzw n GLY 65 N 5.32 0.59 3.00 -3.19 0.00 -1.20 -5.03 105.19 104.67 1kzw n GLY 65 Ca 0.21 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.10 -0.01 -0.51 1.61 0.11 -1.24 -5.10 120.40 113.16 1kzw s VAL 66 Ca 0.00 0.03 -0.26 0.00 -2.93 0.00 0.00 61.98 58.82 1kzw s VAL 66 Cb 0.00 -0.20 0.03 0.00 -1.53 0.00 0.00 36.38 34.68 1kzw s VAL 66 CO 0.00 0.01 1.01 -0.89 -3.33 0.00 0.00 175.10 171.90 1kzw s THR 67 N 0.24 4.32 0.23 5.04 2.01 -1.26 -4.12 115.64 122.09 1kzw s THR 67 Ca -0.01 0.71 0.03 0.00 0.31 0.00 0.00 61.69 62.73 1kzw s THR 67 Cb -0.03 -4.55 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 1kzw s THR 67 CO -0.01 -1.04 0.01 0.72 -0.69 0.00 0.00 174.62 173.61 1kzw s PHE 68 N 4.14 1.52 -0.47 4.92 -0.71 -0.38 -4.82 117.98 122.18 1kzw s PHE 68 Ca 0.38 -0.96 -0.22 0.00 -1.04 0.00 0.00 56.93 55.09 1kzw s PHE 68 Cb -0.10 -0.88 0.03 0.00 -1.21 0.00 0.00 43.02 40.86 1kzw s PHE 68 CO 0.25 -0.09 0.74 1.21 -1.34 0.00 0.00 175.22 175.98 1kzw s ASN 69 N -3.29 6.34 -0.31 1.98 3.84 -1.26 -1.53 114.94 120.72 1kzw s ASN 69 Ca 0.29 -0.34 -0.12 0.00 0.21 0.00 0.00 52.86 52.90 1kzw s ASN 69 Cb 0.06 -2.36 -0.03 0.00 -0.55 0.00 0.00 41.25 38.37 1kzw s ASN 69 CO 0.09 -0.91 0.21 -0.47 -2.79 0.00 0.00 177.10 173.22 1kzw s TYR 70 N 3.13 3.22 -0.24 0.43 5.04 0.44 -4.87 117.35 124.50 1kzw s TYR 70 Ca 0.25 -0.09 -0.12 0.00 -2.44 0.00 0.00 57.07 54.67 1kzw s TYR 70 Cb -0.14 -2.42 -0.05 0.00 0.35 0.00 0.00 41.96 39.71 1kzw s TYR 70 CO 0.19 -0.27 0.23 0.54 -1.34 0.00 0.00 175.55 174.90 1kzw s ASN 71 N 1.73 6.17 0.57 4.32 2.20 -1.26 -0.88 114.94 127.79 1kzw s ASN 71 Ca 0.06 0.18 -0.11 0.00 -0.94 0.00 0.00 52.86 52.05 1kzw s ASN 71 Cb -0.17 -2.14 -0.05 0.00 -2.00 0.00 0.00 41.25 36.89 1kzw s ASN 71 CO 0.10 -0.01 0.98 -0.76 -2.94 0.00 0.00 177.10 174.48 1kzw s LEU 72 N 1.33 3.38 -1.20 3.54 1.43 -0.76 -4.99 118.68 121.42 1kzw s LEU 72 Ca 0.10 1.38 -0.17 0.00 -1.03 0.00 0.00 54.13 54.42 1kzw s LEU 72 Cb -0.14 -4.39 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 1kzw s LEU 72 CO 0.07 -0.76 2.12 0.00 0.23 0.00 0.00 176.35 178.01 1kzw n ALA 73 N -2.39 4.71 -0.04 4.21 0.00 -1.26 -3.82 120.51 121.93 1kzw n ALA 73 Ca 0.05 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.83 1kzw n ALA 73 Cb 0.54 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.41 1kzw n ALA 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1kzw n ASP 74 N 6.61 0.00 0.00 0.00 2.03 -1.26 -4.82 116.55 119.11 1kzw n ASP 74 Ca 0.51 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.82 1kzw n ASP 74 Cb 0.39 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1kzw n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kzw n GLY 75 N -1.47 -1.30 3.63 0.27 0.00 -1.25 -5.18 105.19 99.88 1kzw n GLY 75 Ca 0.00 0.45 -0.05 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.20 -0.22 2.61 2.01 -1.26 -5.03 115.64 113.55 1kzw s THR 76 Ca 0.00 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 1kzw s THR 76 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1kzw s THR 76 CO 0.00 0.00 0.24 -1.61 -0.69 0.00 0.00 174.62 172.56 1kzw s GLU 77 N 1.85 4.13 -0.31 4.92 2.02 -1.26 -1.82 118.70 128.23 1kzw s GLU 77 Ca -0.09 -0.09 -0.04 0.00 0.02 0.00 0.00 54.97 54.77 1kzw s GLU 77 Cb -0.06 -3.52 0.04 0.00 0.10 0.00 0.00 34.13 30.69 1kzw s GLU 77 CO -0.19 0.07 0.04 -0.51 0.02 0.00 0.00 175.26 174.70 1kzw s LEU 78 N 1.01 3.95 -0.17 1.80 1.43 -0.06 -0.94 118.68 125.70 1kzw s LEU 78 Ca 0.12 -1.07 -0.25 0.00 -1.03 0.00 0.00 54.13 51.89 1kzw s LEU 78 Cb -0.14 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1kzw s LEU 78 CO 0.05 -0.26 0.83 0.00 0.23 0.00 0.00 176.35 177.20 1kzw s ARG 79 N 1.36 4.29 0.00 1.70 1.70 -0.18 -0.42 118.95 127.40 1kzw s ARG 79 Ca -0.02 1.01 0.00 0.00 -0.47 0.00 0.00 55.73 56.25 1kzw s ARG 79 Cb -0.19 -3.58 0.00 0.00 -0.57 0.00 0.00 34.95 30.61 1kzw s ARG 79 CO 0.01 -0.34 0.00 0.41 -1.08 0.00 0.00 175.30 174.30 1kzw n GLY 80 N 3.48 -1.20 3.06 3.88 0.00 -0.58 -1.49 105.19 112.34 1kzw n GLY 80 Ca 0.04 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 1.60 -0.36 2.61 -4.23 -0.90 -1.25 115.64 110.11 1kzw s THR 81 Ca 0.00 -0.69 -0.26 0.00 -1.18 0.00 0.00 61.69 59.57 1kzw s THR 81 Cb 0.00 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.39 1kzw s THR 81 CO 0.00 0.46 0.93 0.26 -0.54 0.00 0.00 174.62 175.73 1kzw s TRP 82 N 1.13 3.09 -0.16 3.99 0.52 -1.26 -1.24 118.94 125.01 1kzw s TRP 82 Ca -0.03 0.80 -0.01 0.00 0.02 0.00 0.00 56.10 56.89 1kzw s TRP 82 Cb -0.14 -3.62 -0.01 0.00 -1.15 0.00 0.00 33.47 28.55 1kzw s TRP 82 CO -0.05 -0.80 -0.12 -1.12 0.02 0.00 0.00 176.95 174.88 1kzw s SER 83 N 1.84 3.96 -0.34 2.95 0.01 -0.27 -3.27 113.70 118.58 1kzw s SER 83 Ca 0.38 -0.38 -0.18 0.00 1.31 0.00 0.00 55.95 57.08 1kzw s SER 83 Cb -0.12 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.48 1kzw s SER 83 CO 0.18 0.10 0.49 -0.22 0.41 0.00 0.00 173.24 174.20 1kzw s LEU 84 N 0.72 4.32 -1.09 2.44 2.96 -1.26 -0.71 118.68 126.06 1kzw s LEU 84 Ca -0.06 -0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 53.76 1kzw s LEU 84 Cb -0.15 -2.55 0.27 0.00 0.50 0.00 0.00 46.19 44.26 1kzw s LEU 84 CO 0.02 -0.43 1.08 -1.61 -1.32 0.00 0.00 176.35 174.08 1kzw s GLU 85 N 2.32 4.14 1.45 1.98 8.01 0.23 -4.93 118.70 131.90 1kzw s GLU 85 Ca 0.18 -3.17 0.00 0.00 0.01 0.00 0.00 54.97 51.99 1kzw s GLU 85 Cb -0.16 -4.53 0.00 0.00 -4.31 0.00 0.00 34.13 25.13 1kzw s GLU 85 CO 0.13 -1.25 0.00 0.41 0.01 0.00 0.00 175.26 174.56 1kzw n GLY 86 N 2.78 1.56 0.72 -1.39 0.00 -1.26 -2.44 105.19 105.16 1kzw n GLY 86 Ca 0.23 0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.55 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 4.56 1.61 -3.95 1.61 3.02 -1.26 -2.79 115.26 118.05 1kzw n ASN 87 Ca 0.00 -3.55 -0.30 0.00 -0.03 0.00 0.00 54.58 50.70 1kzw n ASN 87 Cb 0.00 -0.49 -0.15 0.00 -0.61 0.00 0.00 39.78 38.53 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 -2.67 1.67 -0.50 3.52 1.02 -1.02 -4.38 119.74 117.37 1kzw s LYS 88 Ca 0.37 -1.05 -0.21 0.00 0.02 0.00 0.00 55.97 55.11 1kzw s LYS 88 Cb 0.36 -2.62 0.05 0.00 -0.52 0.00 0.00 37.83 35.10 1kzw s LYS 88 CO -0.08 -0.61 0.71 -0.51 -0.92 0.00 0.00 175.35 173.94 1kzw s LEU 89 N 1.36 4.66 -0.29 3.17 1.43 -0.14 -0.60 118.68 128.27 1kzw s LEU 89 Ca -0.06 -0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 52.23 1kzw s LEU 89 Cb -0.19 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1kzw s LEU 89 CO -0.06 -0.95 0.33 -0.51 0.23 0.00 0.00 176.35 175.39 1kzw s ILE 90 N 2.99 5.20 -0.67 -0.59 2.07 0.11 -0.17 121.20 130.15 1kzw s ILE 90 Ca 0.20 0.35 -0.19 0.00 -1.41 0.00 0.00 60.65 59.59 1kzw s ILE 90 Cb -0.17 -3.70 0.11 0.00 0.13 0.00 0.00 42.46 38.83 1kzw s ILE 90 CO 0.15 0.10 0.83 -0.83 -1.91 0.00 0.00 174.94 173.28 1kzw s GLY 91 N 1.69 1.75 -0.86 1.50 0.00 0.40 -1.12 107.32 110.68 1kzw s GLY 91 Ca 0.13 -2.27 -0.22 0.00 0.00 0.00 0.00 44.72 42.35 1kzw s GLY 91 CO 0.11 1.74 1.19 0.54 0.00 0.00 0.00 173.10 176.68 1kzw s LYS 92 N 2.88 3.42 0.03 2.90 1.02 -0.37 -1.79 119.74 127.82 1kzw s LYS 92 Ca 0.17 -1.16 0.08 0.00 0.02 0.00 0.00 55.97 55.09 1kzw s LYS 92 Cb -0.19 -4.76 -0.03 0.00 -0.52 0.00 0.00 37.83 32.33 1kzw s LYS 92 CO 0.04 -1.95 -0.24 -0.06 -0.92 0.00 0.00 175.35 172.22 1kzw s PHE 93 N 4.04 2.12 -0.04 3.18 0.08 -0.55 -2.12 117.98 124.70 1kzw s PHE 93 Ca 0.34 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 57.06 1kzw s PHE 93 Cb -0.07 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.07 1kzw s PHE 93 CO -0.01 0.08 -0.24 0.21 -0.10 0.00 0.00 175.22 175.16 1kzw s LYS 94 N -1.08 2.36 -0.42 0.44 2.20 -0.55 -0.36 119.74 122.33 1kzw s LYS 94 Ca 0.10 -0.89 -0.28 0.00 -0.36 0.00 0.00 55.97 54.54 1kzw s LYS 94 Cb -0.09 -2.13 -0.01 0.00 -1.51 0.00 0.00 37.83 34.08 1kzw s LYS 94 CO 0.01 0.48 1.74 1.03 -0.36 0.00 0.00 175.35 178.26 1kzw s ARG 95 N -0.41 3.20 0.00 4.03 0.52 -0.56 -1.01 118.95 124.72 1kzw s ARG 95 Ca 0.04 1.12 0.22 0.00 -0.52 0.00 0.00 55.73 56.60 1kzw s ARG 95 Cb -0.12 -4.21 1.12 0.00 0.52 0.00 0.00 34.95 32.26 1kzw s ARG 95 CO 0.01 -2.03 1.73 -2.37 0.02 0.00 0.00 175.30 172.66 1kzw n THR 96 N 7.30 0.30 0.23 0.02 5.66 -0.12 -0.19 114.28 127.48 1kzw n THR 96 Ca 0.21 0.08 0.11 0.00 -3.05 0.00 0.00 64.05 61.40 1kzw n THR 96 Cb 0.48 -0.71 -0.06 0.00 -1.55 0.00 0.00 70.33 68.50 1kzw n THR 96 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1kzw n ASP 97 N -1.29 0.49 0.00 1.09 8.00 -1.26 -4.84 116.55 118.74 1kzw n ASP 97 Ca 0.10 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1kzw n ASP 97 Cb 0.18 1.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.39 1kzw n ASP 97 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1kzw n ASN 98 N -2.29 4.05 0.00 -2.24 2.85 -0.94 -5.08 115.26 111.62 1kzw n ASN 98 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1kzw n ASN 98 Cb 0.52 0.74 0.00 0.00 1.24 0.00 0.00 39.78 42.28 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 2.11 2.82 3.82 8.20 0.00 0.73 -5.00 105.19 117.87 1kzw n GLY 99 Ca 0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 6.67 -0.16 1.61 0.01 -1.26 -4.55 114.94 117.91 1kzw s ASN 100 Ca 0.00 1.71 -0.11 0.00 -0.71 0.00 0.00 52.86 53.75 1kzw s ASN 100 Cb 0.00 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 39.08 1kzw s ASN 100 CO 0.00 -0.55 0.19 -1.61 -1.51 0.00 0.00 177.10 173.62 1kzw s GLU 101 N -3.50 4.04 -0.09 -0.60 8.01 -1.26 -1.49 118.70 123.80 1kzw s GLU 101 Ca 0.62 -0.08 -0.00 0.00 0.01 0.00 0.00 54.97 55.52 1kzw s GLU 101 Cb -0.11 -3.36 0.02 0.00 -4.31 0.00 0.00 34.13 26.37 1kzw s GLU 101 CO 0.21 0.40 -0.06 -1.17 0.01 0.00 0.00 175.26 174.65 1kzw s LEU 102 N 0.03 1.15 -0.26 1.80 0.20 0.52 -4.05 118.68 118.06 1kzw s LEU 102 Ca 0.13 -0.24 -0.05 0.00 0.69 0.00 0.00 54.13 54.65 1kzw s LEU 102 Cb -0.12 -0.72 0.00 0.00 -0.43 0.00 0.00 46.19 44.92 1kzw s LEU 102 CO 0.02 -0.10 0.03 0.20 -0.29 0.00 0.00 176.35 176.20 1kzw s ASN 103 N 1.52 4.82 -0.43 3.68 0.01 -0.18 -1.48 114.94 122.88 1kzw s ASN 103 Ca 0.00 -0.58 -0.09 0.00 -0.71 0.00 0.00 52.86 51.48 1kzw s ASN 103 Cb -0.13 -1.82 0.08 0.00 0.41 0.00 0.00 41.25 39.79 1kzw s ASN 103 CO -0.05 -0.12 0.28 -0.89 -1.51 0.00 0.00 177.10 174.81 1kzw s THR 104 N 1.49 4.25 -0.48 1.60 2.01 -0.74 -0.63 115.64 123.15 1kzw s THR 104 Ca 0.04 -1.45 -0.20 0.00 0.31 0.00 0.00 61.69 60.38 1kzw s THR 104 Cb -0.16 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.75 1kzw s THR 104 CO 0.00 -0.55 0.66 -0.69 -0.69 0.00 0.00 174.62 173.35 1kzw s VAL 105 N 1.42 4.81 -0.60 3.82 1.01 -0.44 -0.46 120.40 129.96 1kzw s VAL 105 Ca 0.04 -0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 1kzw s VAL 105 Cb -0.24 -4.27 0.05 0.00 0.00 0.00 0.00 36.38 31.92 1kzw s VAL 105 CO 0.02 -0.73 1.01 -0.13 0.00 0.00 0.00 175.10 175.27 1kzw s ARG 106 N 2.84 3.28 0.06 2.72 0.52 0.76 -0.96 118.95 128.18 1kzw s ARG 106 Ca 0.20 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 55.13 1kzw s ARG 106 Cb -0.16 -4.11 -0.03 0.00 0.52 0.00 0.00 34.95 31.18 1kzw s ARG 106 CO 0.16 -1.66 -0.18 -2.00 0.02 0.00 0.00 175.30 171.64 1kzw s GLU 107 N 4.30 1.08 -0.24 3.54 2.12 -0.61 -0.96 118.70 127.93 1kzw s GLU 107 Ca 0.30 -0.94 -0.03 0.00 0.36 0.00 0.00 54.97 54.66 1kzw s GLU 107 Cb -0.12 -1.18 0.01 0.00 0.26 0.00 0.00 34.13 33.09 1kzw s GLU 107 CO 0.17 0.29 -0.05 0.42 -0.54 0.00 0.00 175.26 175.55 1kzw s ILE 108 N -0.99 3.10 -1.21 -3.70 1.01 -1.26 0.21 121.20 118.35 1kzw s ILE 108 Ca 0.04 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 1kzw s ILE 108 Cb -0.09 -2.49 0.20 0.00 0.01 0.00 0.00 42.46 40.09 1kzw s ILE 108 CO 0.02 0.31 1.58 0.00 0.00 0.00 0.00 174.94 176.85 1kzw n ILE 109 N 4.73 4.49 0.00 2.92 0.13 0.00 -4.94 119.36 126.70 1kzw n ILE 109 Ca -0.17 -4.86 0.00 0.00 -1.10 0.00 0.00 62.75 56.62 1kzw n ILE 109 Cb 0.49 -2.38 0.00 0.00 -0.84 0.00 0.00 39.64 36.91 1kzw n ILE 109 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1kzw n GLY 110 N 3.00 1.29 0.01 4.50 0.00 -1.26 -3.18 105.19 109.56 1kzw n GLY 110 Ca 0.35 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.75 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 7.03 0.14 -4.01 1.61 5.75 -1.26 -4.94 116.55 120.86 1kzw n ASP 111 Ca 0.00 0.46 -0.26 0.00 -0.01 0.00 0.00 54.79 54.98 1kzw n ASP 111 Cb 0.00 -0.48 -0.17 0.00 -1.03 0.00 0.00 41.12 39.44 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 -3.01 1.76 -0.14 0.11 2.02 -1.19 -1.34 118.70 116.90 1kzw s GLU 112 Ca 0.13 -0.41 -0.29 0.00 0.02 0.00 0.00 54.97 54.43 1kzw s GLU 112 Cb 0.18 -1.51 -0.01 0.00 0.10 0.00 0.00 34.13 32.89 1kzw s GLU 112 CO 0.55 -0.03 0.98 -1.17 0.02 0.00 0.00 175.26 175.60 1kzw s LEU 113 N 0.88 4.21 -0.31 1.80 2.96 0.57 -0.82 118.68 127.98 1kzw s LEU 113 Ca -0.10 1.43 -0.10 0.00 -0.22 0.00 0.00 54.13 55.14 1kzw s LEU 113 Cb -0.15 -3.48 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 1kzw s LEU 113 CO 0.01 -0.48 0.17 0.68 -1.32 0.00 0.00 176.35 175.41 1kzw s VAL 114 N 2.25 4.79 -0.56 1.68 -7.23 0.13 -0.23 120.40 121.22 1kzw s VAL 114 Ca 0.45 -0.29 -0.21 0.00 -1.81 0.00 0.00 61.98 60.13 1kzw s VAL 114 Cb -0.17 -3.41 0.06 0.00 0.56 0.00 0.00 36.38 33.43 1kzw s VAL 114 CO 0.15 0.10 0.79 -1.10 -0.31 0.00 0.00 175.10 174.72 1kzw s GLN 115 N 1.65 3.16 -0.55 4.82 -0.21 -0.19 -1.57 119.66 126.77 1kzw s GLN 115 Ca 0.05 -0.80 -0.21 0.00 0.02 0.00 0.00 55.36 54.42 1kzw s GLN 115 Cb -0.17 -4.14 0.06 0.00 1.00 0.00 0.00 33.01 29.76 1kzw s GLN 115 CO 0.07 -1.46 0.79 0.99 -2.12 0.00 0.00 175.29 173.56 1kzw s THR 116 N 3.25 4.63 -0.49 -0.19 2.01 -0.13 -1.58 115.64 123.14 1kzw s THR 116 Ca 0.20 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.76 1kzw s THR 116 Cb -0.18 -4.44 0.04 0.00 0.01 0.00 0.00 72.50 67.93 1kzw s THR 116 CO 0.12 -1.02 0.68 -0.31 -0.69 0.00 0.00 174.62 173.41 1kzw s TYR 117 N 3.28 3.01 -0.38 4.92 2.02 0.46 -1.32 117.35 129.34 1kzw s TYR 117 Ca 0.21 -0.30 -0.13 0.00 -0.37 0.00 0.00 57.07 56.48 1kzw s TYR 117 Cb -0.17 -3.57 0.01 0.00 -0.40 0.00 0.00 41.96 37.84 1kzw s TYR 117 CO 0.14 -1.04 0.25 0.08 -1.57 0.00 0.00 175.55 173.41 1kzw s VAL 118 N 2.91 4.97 -0.17 0.71 1.01 0.20 -1.80 120.40 128.23 1kzw s VAL 118 Ca 0.20 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1kzw s VAL 118 Cb -0.16 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.57 1kzw s VAL 118 CO 0.15 -0.21 0.14 -0.47 0.00 0.00 0.00 175.10 174.72 1kzw s TYR 119 N 1.64 -0.00 -1.29 5.22 5.04 -1.03 -1.01 117.35 125.92 1kzw s TYR 119 Ca 0.04 -0.06 -0.01 0.00 -2.44 0.00 0.00 57.07 54.61 1kzw s TYR 119 Cb -0.19 -0.54 -0.00 0.00 0.35 0.00 0.00 41.96 41.58 1kzw s TYR 119 CO 0.09 -0.52 0.72 0.39 -1.34 0.00 0.00 175.55 174.89 1kzw n GLU 120 N 5.30 -4.83 -2.66 4.97 -0.58 -1.26 -2.92 120.64 118.66 1kzw n GLU 120 Ca -0.06 0.63 -0.06 0.00 -0.42 0.00 0.00 57.16 57.25 1kzw n GLU 120 Cb 0.49 -5.20 0.02 0.00 -0.57 0.00 0.00 31.44 26.18 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 -1.54 0.48 3.15 0.62 0.00 -1.26 -5.10 105.19 101.54 1kzw n GLY 121 Ca -0.29 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.92 0.06 -0.15 1.61 0.11 -1.15 -5.13 120.40 112.83 1kzw s VAL 122 Ca 0.13 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.67 1kzw s VAL 122 Cb -0.06 -0.47 0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1kzw s VAL 122 CO 0.16 -0.27 -0.04 -0.70 -3.33 0.00 0.00 175.10 170.91 1kzw s GLU 123 N -1.10 1.32 -0.14 1.54 2.12 -1.26 -2.45 118.70 118.74 1kzw s GLU 123 Ca -0.12 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 54.79 1kzw s GLU 123 Cb -0.06 -1.88 -0.01 0.00 0.26 0.00 0.00 34.13 32.45 1kzw s GLU 123 CO 0.02 -0.42 -0.16 0.00 -0.54 0.00 0.00 175.26 174.17 1kzw s ALA 124 N 1.69 2.48 -0.40 6.30 0.00 -0.75 -4.78 121.76 126.31 1kzw s ALA 124 Ca 0.01 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 1kzw s ALA 124 Cb -0.15 -1.16 0.08 0.00 0.00 0.00 0.00 23.12 21.88 1kzw s ALA 124 CO -0.08 0.09 0.21 0.15 0.00 0.00 0.00 175.76 176.13 1kzw s LYS 125 N 0.62 2.50 -0.35 0.00 1.02 -0.07 -0.40 119.74 123.06 1kzw s LYS 125 Ca -0.09 -1.47 -0.23 0.00 0.02 0.00 0.00 55.97 54.21 1kzw s LYS 125 Cb -0.16 -3.66 0.01 0.00 -0.52 0.00 0.00 37.83 33.50 1kzw s LYS 125 CO 0.03 -0.91 0.76 1.03 -0.92 0.00 0.00 175.35 175.33 1kzw s ARG 126 N 1.36 3.79 -0.25 1.68 0.52 -0.61 -0.80 118.95 124.64 1kzw s ARG 126 Ca 0.03 0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 55.45 1kzw s ARG 126 Cb -0.22 -3.79 -0.05 0.00 0.52 0.00 0.00 34.95 31.41 1kzw s ARG 126 CO 0.01 -0.79 0.19 0.42 0.02 0.00 0.00 175.30 175.15 1kzw s ILE 127 N 2.99 5.33 -0.18 1.52 1.01 -0.42 -1.02 121.20 130.44 1kzw s ILE 127 Ca 0.30 0.22 0.01 0.00 0.00 0.00 0.00 60.65 61.18 1kzw s ILE 127 Cb -0.14 -3.53 0.02 0.00 0.01 0.00 0.00 42.46 38.83 1kzw s ILE 127 CO 0.15 0.30 -0.18 -0.36 0.00 0.00 0.00 174.94 174.85 1kzw s PHE 128 N 1.35 2.67 0.29 3.97 0.40 0.68 -0.49 117.98 126.84 1kzw s PHE 128 Ca 0.08 -1.59 -0.27 0.00 -0.60 0.00 0.00 56.93 54.56 1kzw s PHE 128 Cb -0.14 -1.85 -0.09 0.00 0.51 0.00 0.00 43.02 41.44 1kzw s PHE 128 CO 0.07 -0.78 0.93 0.21 0.70 0.00 0.00 175.22 176.35 1kzw s LYS 129 N 1.33 4.66 -0.25 0.44 2.20 0.17 -0.31 119.74 127.97 1kzw s LYS 129 Ca 0.04 1.36 -0.29 0.00 -0.36 0.00 0.00 55.97 56.72 1kzw s LYS 129 Cb -0.13 -2.97 -0.02 0.00 -1.51 0.00 0.00 37.83 33.19 1kzw s LYS 129 CO -0.12 0.37 1.66 0.21 -0.36 0.00 0.00 175.35 177.10 1kzw s LYS 130 N -1.74 3.69 0.00 4.03 2.20 -0.45 -1.03 119.74 126.43 1kzw s LYS 130 Ca 0.47 1.60 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 1kzw s LYS 130 Cb -0.21 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 1kzw s LYS 130 CO 0.26 -1.43 0.00 -3.47 -0.36 0.00 0.00 175.35 170.36