#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 2.79 -2.88 0.00 3.01 -1.26 -4.92 117.46 114.20 1kzw n PHE 2 Ca 0.00 -3.04 -0.43 0.00 1.01 0.00 0.00 57.45 54.99 1kzw n PHE 2 Cb 0.00 -2.47 -0.02 0.00 -0.01 0.00 0.00 39.48 36.98 1kzw n PHE 2 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1kzw s ASP 3 N 2.35 6.68 -0.03 4.37 2.15 -1.26 -4.45 116.67 126.48 1kzw s ASP 3 Ca 0.61 -2.11 -0.30 0.00 0.43 0.00 0.00 52.55 51.18 1kzw s ASP 3 Cb 0.17 -2.42 0.11 0.00 -0.30 0.00 0.00 42.92 40.47 1kzw s ASP 3 CO -0.07 -1.08 1.10 -0.44 -0.17 0.00 0.00 175.17 174.51 1kzw s SER 4 N 3.71 -0.18 -0.08 -0.34 0.01 -0.54 -5.01 113.70 111.28 1kzw s SER 4 Ca 0.36 -0.12 -0.20 0.00 1.31 0.00 0.00 55.95 57.30 1kzw s SER 4 Cb -0.04 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 1kzw s SER 4 CO -0.08 -0.48 0.57 -0.89 0.41 0.00 0.00 173.24 172.77 1kzw s THR 5 N -2.77 5.09 -0.21 1.44 2.01 -1.26 -1.61 115.64 118.33 1kzw s THR 5 Ca 0.10 1.15 -0.02 0.00 0.31 0.00 0.00 61.69 63.24 1kzw s THR 5 Cb 0.00 -3.90 0.06 0.00 0.01 0.00 0.00 72.50 68.67 1kzw s THR 5 CO -0.04 0.32 0.00 0.26 -0.69 0.00 0.00 174.62 174.48 1kzw s TRP 6 N 0.50 1.52 -0.15 4.92 0.52 0.26 -0.40 118.94 126.11 1kzw s TRP 6 Ca 0.30 -1.18 -0.08 0.00 0.02 0.00 0.00 56.10 55.17 1kzw s TRP 6 Cb -0.16 -1.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.89 1kzw s TRP 6 CO 0.14 -0.67 0.12 0.21 0.02 0.00 0.00 176.95 176.77 1kzw s LYS 7 N 1.69 3.71 0.06 4.98 2.47 -0.13 -0.56 119.74 131.98 1kzw s LYS 7 Ca -0.03 -0.20 -0.31 0.00 -1.56 0.00 0.00 55.97 53.88 1kzw s LYS 7 Cb -0.18 -3.24 -0.10 0.00 -1.46 0.00 0.00 37.83 32.85 1kzw s LYS 7 CO -0.07 0.56 1.93 1.55 0.16 0.00 0.00 175.35 179.48 1kzw n VAL 8 N 2.66 0.62 -0.09 4.02 3.14 -0.70 -0.53 118.33 127.46 1kzw n VAL 8 Ca -0.18 -0.11 -0.19 0.00 -2.96 0.00 0.00 64.34 60.89 1kzw n VAL 8 Cb 0.54 -2.24 -0.07 0.00 -1.06 0.00 0.00 33.84 31.01 1kzw n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1kzw n ASP 9 N 6.84 1.44 -3.36 6.55 2.03 -0.03 -4.86 116.55 125.15 1kzw n ASP 9 Ca 0.19 0.20 -0.06 0.00 0.52 0.00 0.00 54.79 55.64 1kzw n ASP 9 Cb 0.39 -0.53 -0.07 0.00 -0.72 0.00 0.00 41.12 40.20 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 -2.34 0.39 -0.41 -0.67 1.70 -1.16 -5.03 118.95 111.43 1kzw s ARG 10 Ca -0.26 0.71 -0.13 0.00 -0.47 0.00 0.00 55.73 55.57 1kzw s ARG 10 Cb 0.10 -0.16 0.04 0.00 -0.57 0.00 0.00 34.95 34.36 1kzw s ARG 10 CO 0.34 -0.58 0.29 -1.54 -1.08 0.00 0.00 175.30 172.73 1kzw s SER 11 N 2.62 5.96 -0.32 -2.89 1.04 -1.26 -1.65 113.70 117.19 1kzw s SER 11 Ca 0.12 -1.07 -0.11 0.00 0.48 0.00 0.00 55.95 55.37 1kzw s SER 11 Cb -0.15 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1kzw s SER 11 CO -0.16 -0.48 0.18 -1.61 0.98 0.00 0.00 173.24 172.15 1kzw s GLU 12 N 1.61 3.38 -0.19 4.02 2.02 -0.05 -4.58 118.70 124.91 1kzw s GLU 12 Ca 0.04 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1kzw s GLU 12 Cb -0.20 -3.65 0.00 0.00 0.10 0.00 0.00 34.13 30.38 1kzw s GLU 12 CO 0.08 -0.43 0.00 -1.71 0.02 0.00 0.00 175.26 173.22 1kzw n ASN 13 N 5.02 -4.77 -0.18 -0.19 5.15 -1.26 -1.08 115.26 117.95 1kzw n ASN 13 Ca -0.13 0.04 -0.09 0.00 -0.60 0.00 0.00 54.58 53.80 1kzw n ASN 13 Cb 0.49 -2.43 0.01 0.00 -0.53 0.00 0.00 39.78 37.32 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 0.86 -0.24 1.20 3.20 -1.91 -2.61 116.97 117.47 1kzw h TYR 14 Ca -0.04 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1kzw h TYR 14 Cb 0.64 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1kzw h TYR 14 CO 0.38 0.77 0.09 -0.44 -1.64 0.00 0.00 178.16 177.32 1kzw h ASP 15 N 0.70 0.29 -0.13 -2.11 3.32 -1.93 -2.21 116.42 114.35 1kzw h ASP 15 Ca 0.16 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 1kzw h ASP 15 Cb 0.35 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1kzw h ASP 15 CO 0.00 0.27 -0.53 0.11 -1.72 0.00 0.00 179.24 177.37 1kzw h LYS 16 N 0.33 0.60 -0.53 3.56 1.79 -1.96 -1.56 116.57 118.79 1kzw h LYS 16 Ca 0.08 -0.46 0.10 0.00 -2.18 0.00 0.00 60.65 58.19 1kzw h LYS 16 Cb 0.07 0.09 -0.11 0.00 -1.58 0.00 0.00 32.23 30.70 1kzw h LYS 16 CO -0.01 1.09 -0.34 0.35 -1.08 0.00 0.00 179.45 179.46 1kzw h PHE 17 N 0.24 -0.93 -0.82 -1.35 3.57 -1.44 -1.80 116.94 114.40 1kzw h PHE 17 Ca -0.03 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1kzw h PHE 17 Cb 1.17 0.49 -0.04 0.00 2.79 0.00 0.00 35.95 40.36 1kzw h PHE 17 CO 0.10 -0.38 0.43 0.52 -2.23 0.00 0.00 178.31 176.75 1kzw h MET 18 N -0.19 1.16 -0.42 1.11 2.86 -1.45 -2.10 114.93 115.90 1kzw h MET 18 Ca 0.21 -0.14 0.08 0.00 -2.06 0.00 0.00 59.70 57.79 1kzw h MET 18 Cb 0.55 -0.22 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 1kzw h MET 18 CO -0.64 0.86 0.01 1.49 1.06 0.00 0.00 176.91 179.69 1kzw h GLU 19 N 1.16 0.11 0.00 1.72 4.81 -1.13 -2.41 114.58 118.84 1kzw h GLU 19 Ca 0.29 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1kzw h GLU 19 Cb 0.05 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1kzw h GLU 19 CO -0.04 0.07 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.00 1kzw h LYS 20 N 0.11 0.00 -0.41 1.92 3.64 -1.19 -3.05 116.57 117.59 1kzw h LYS 20 Ca 0.21 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1kzw h LYS 20 Cb 0.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1kzw h LYS 20 CO -0.34 0.09 0.05 0.52 -2.27 0.00 0.00 179.45 177.51 1kzw h MET 21 N 0.00 0.69 0.00 1.90 2.86 -1.01 -3.49 114.93 115.88 1kzw h MET 21 Ca -0.00 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1kzw h MET 21 Cb 0.18 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1kzw h MET 21 CO 0.01 0.74 0.00 0.41 1.06 0.00 0.00 176.91 179.14 1kzw n GLY 22 N -0.46 0.54 2.98 8.32 0.00 -0.94 -5.12 105.19 110.51 1kzw n GLY 22 Ca -0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.41 0.26 0.48 1.61 0.11 -1.23 -5.07 120.40 116.14 1kzw s VAL 23 Ca 0.00 -0.67 -0.24 0.00 -2.93 0.00 0.00 61.98 58.14 1kzw s VAL 23 Cb 0.00 -0.32 -0.07 0.00 -1.53 0.00 0.00 36.38 34.45 1kzw s VAL 23 CO 0.00 -0.27 1.38 0.59 -3.33 0.00 0.00 175.10 173.46 1kzw n ASN 24 N 2.06 2.96 -0.25 3.54 3.02 -1.26 -4.72 115.26 120.61 1kzw n ASN 24 Ca -0.20 1.07 0.04 0.00 -0.03 0.00 0.00 54.58 55.46 1kzw n ASN 24 Cb 0.56 -1.57 0.17 0.00 -0.61 0.00 0.00 39.78 38.32 1kzw n ASN 24 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1kzw h ILE 25 N 1.96 0.74 0.38 2.41 2.10 -2.00 -0.83 117.51 122.27 1kzw h ILE 25 Ca -0.50 -0.18 -0.01 0.00 1.08 0.00 0.00 64.86 65.25 1kzw h ILE 25 Cb 1.29 0.18 -0.02 0.00 -1.09 0.00 0.00 36.82 37.18 1kzw h ILE 25 CO 0.59 0.09 -0.35 0.58 -1.08 0.00 0.00 178.15 177.99 1kzw h VAL 26 N 0.52 0.29 -0.38 2.19 2.07 -1.99 -1.97 116.25 116.97 1kzw h VAL 26 Ca 0.39 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.88 1kzw h VAL 26 Cb 0.51 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1kzw h VAL 26 CO -0.34 0.00 0.14 0.11 0.02 0.00 0.00 177.57 177.49 1kzw h LYS 27 N -0.74 0.58 -0.03 1.57 1.79 -1.88 -1.80 116.57 116.04 1kzw h LYS 27 Ca -0.03 -0.11 -0.08 0.00 -2.18 0.00 0.00 60.65 58.24 1kzw h LYS 27 Cb 0.66 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1kzw h LYS 27 CO -0.04 0.57 -0.37 0.07 -1.08 0.00 0.00 179.45 178.60 1kzw h ARG 28 N 0.47 0.06 -0.31 3.15 0.11 -1.25 -0.36 114.38 116.25 1kzw h ARG 28 Ca 0.12 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 60.09 1kzw h ARG 28 Cb 0.22 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 1kzw h ARG 28 CO -0.01 0.43 -0.17 0.87 0.10 0.00 0.00 179.97 181.19 1kzw h LYS 29 N 0.05 0.66 0.05 0.08 1.79 -1.34 -1.84 116.57 116.03 1kzw h LYS 29 Ca 0.00 -0.30 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1kzw h LYS 29 Cb 0.68 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1kzw h LYS 29 CO 0.05 0.89 -0.02 -0.07 -1.08 0.00 0.00 179.45 179.21 1kzw h LEU 30 N 0.41 -0.06 -0.54 2.94 3.38 -1.30 -0.20 115.31 119.95 1kzw h LEU 30 Ca 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1kzw h LEU 30 Cb 0.70 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1kzw h LEU 30 CO 0.05 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1kzw n ALA 31 N -2.18 1.39 0.05 1.53 0.00 -0.15 -2.73 120.51 118.41 1kzw n ALA 31 Ca -0.08 0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1kzw n ALA 31 Cb 0.11 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 1kzw n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kzw h ALA 32 N 2.21 -0.22 -0.63 0.00 0.00 -1.22 -3.43 119.26 115.97 1kzw h ALA 32 Ca 0.00 -0.05 -0.61 0.00 0.00 0.00 0.00 54.91 54.25 1kzw h ALA 32 Cb 0.18 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 17.88 1kzw h ALA 32 CO 0.00 -0.21 1.08 0.72 0.00 0.00 0.00 179.25 180.85 1kzw n HIS 33 N -4.92 2.05 0.85 0.00 8.25 -0.10 -4.69 115.22 116.65 1kzw n HIS 33 Ca -0.03 -2.26 0.10 0.00 -0.26 0.00 0.00 57.72 55.27 1kzw n HIS 33 Cb 0.09 -1.50 0.01 0.00 1.12 0.00 0.00 29.99 29.71 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 0.99 1.92 -3.35 0.41 5.68 -1.19 -4.92 116.55 116.08 1kzw n ASP 34 Ca 0.53 -1.46 -0.17 0.00 -0.50 0.00 0.00 54.79 53.19 1kzw n ASP 34 Cb 0.42 0.42 0.07 0.00 -1.14 0.00 0.00 41.12 40.90 1kzw n ASP 34 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1kzw n ASN 35 N 0.06 -4.77 -4.65 -1.12 3.02 -1.26 -0.57 115.26 105.97 1kzw n ASN 35 Ca 0.08 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.51 1kzw n ASN 35 Cb 0.41 -5.04 -0.03 0.00 -0.61 0.00 0.00 39.78 34.52 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 -5.83 4.08 -0.27 3.41 2.96 -1.26 -4.26 118.68 117.51 1kzw s LEU 36 Ca 0.28 1.17 -0.10 0.00 -0.22 0.00 0.00 54.13 55.27 1kzw s LEU 36 Cb -0.04 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1kzw s LEU 36 CO 0.75 -0.60 0.16 -0.75 -1.32 0.00 0.00 176.35 174.59 1kzw s LYS 37 N 3.04 3.86 -0.42 1.98 2.20 -0.06 -1.71 119.74 128.62 1kzw s LYS 37 Ca 0.39 -0.37 -0.13 0.00 -0.36 0.00 0.00 55.97 55.50 1kzw s LYS 37 Cb -0.15 -3.58 0.05 0.00 -1.51 0.00 0.00 37.83 32.64 1kzw s LYS 37 CO 0.07 -0.19 0.30 -0.51 -0.36 0.00 0.00 175.35 174.66 1kzw s LEU 38 N 1.72 5.20 -0.64 5.43 1.43 0.28 -1.73 118.68 130.38 1kzw s LEU 38 Ca 0.07 -1.19 -0.23 0.00 -1.03 0.00 0.00 54.13 51.75 1kzw s LEU 38 Cb -0.16 -2.10 0.07 0.00 0.03 0.00 0.00 46.19 44.03 1kzw s LEU 38 CO 0.09 -0.52 0.94 -0.89 0.23 0.00 0.00 176.35 176.21 1kzw s THR 39 N 1.58 4.36 -0.28 5.49 2.01 -0.78 -0.57 115.64 127.46 1kzw s THR 39 Ca 0.03 -0.28 -0.16 0.00 0.31 0.00 0.00 61.69 61.60 1kzw s THR 39 Cb -0.22 -4.65 -0.03 0.00 0.01 0.00 0.00 72.50 67.62 1kzw s THR 39 CO 0.06 -1.38 0.41 -0.63 -0.69 0.00 0.00 174.62 172.39 1kzw s ILE 40 N 3.98 5.14 -0.06 1.82 1.01 -0.63 -0.97 121.20 131.49 1kzw s ILE 40 Ca 0.23 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.50 1kzw s ILE 40 Cb -0.16 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1kzw s ILE 40 CO 0.12 0.11 -0.14 0.28 0.00 0.00 0.00 174.94 175.31 1kzw s THR 41 N 2.13 1.23 -0.06 2.92 -1.32 -0.71 -1.46 115.64 118.37 1kzw s THR 41 Ca 0.16 -0.55 -0.30 0.00 -1.21 0.00 0.00 61.69 59.79 1kzw s THR 41 Cb -0.16 -1.11 -0.02 0.00 -1.51 0.00 0.00 72.50 69.71 1kzw s THR 41 CO 0.10 0.37 1.01 -1.58 -2.21 0.00 0.00 174.62 172.31 1kzw s GLN 42 N 0.51 4.47 -0.47 7.08 2.00 -1.26 -1.39 119.66 130.60 1kzw s GLN 42 Ca -0.13 1.42 0.08 0.00 -2.00 0.00 0.00 55.36 54.74 1kzw s GLN 42 Cb -0.15 -3.51 0.30 0.00 0.80 0.00 0.00 33.01 30.46 1kzw s GLN 42 CO 0.04 -0.22 0.73 -1.91 -0.50 0.00 0.00 175.29 173.42 1kzw n GLU 43 N 4.58 1.69 -2.81 1.67 2.13 0.99 -4.98 120.64 123.90 1kzw n GLU 43 Ca 0.08 -3.90 -0.01 0.00 0.66 0.00 0.00 57.16 53.99 1kzw n GLU 43 Cb 0.49 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.42 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 0.57 -1.07 4.49 8.31 0.00 -1.26 -3.15 105.19 113.08 1kzw n GLY 44 Ca 0.26 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 -1.74 0.00 -4.90 1.61 5.15 -1.26 -5.01 115.26 109.11 1kzw n ASN 45 Ca -0.00 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.69 1kzw n ASN 45 Cb 0.51 -0.66 -0.03 0.00 -0.53 0.00 0.00 39.78 39.07 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 3.64 -0.20 1.20 1.02 -1.19 -1.74 119.74 122.48 1kzw s LYS 46 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.00 1kzw s LYS 46 Cb 0.00 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 1kzw s LYS 46 CO 0.00 0.22 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.46 1kzw s PHE 47 N -2.06 2.85 -0.50 3.18 0.08 0.23 -0.01 117.98 121.76 1kzw s PHE 47 Ca 0.44 -1.32 -0.23 0.00 0.12 0.00 0.00 56.93 55.95 1kzw s PHE 47 Cb -0.11 -2.00 0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1kzw s PHE 47 CO 0.29 -0.68 0.80 0.99 -0.10 0.00 0.00 175.22 176.52 1kzw s THR 48 N 1.34 4.61 -0.40 0.64 2.01 -0.49 -1.84 115.64 121.51 1kzw s THR 48 Ca 0.05 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.11 1kzw s THR 48 Cb -0.14 -4.39 0.05 0.00 0.01 0.00 0.00 72.50 68.03 1kzw s THR 48 CO -0.08 -0.87 0.25 -0.69 -0.69 0.00 0.00 174.62 172.54 1kzw s VAL 49 N 3.37 4.60 -0.54 3.82 1.01 -0.16 -1.74 120.40 130.76 1kzw s VAL 49 Ca 0.27 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 1kzw s VAL 49 Cb -0.14 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.65 1kzw s VAL 49 CO 0.19 -0.36 0.69 -0.54 0.00 0.00 0.00 175.10 175.08 1kzw s LYS 50 N 1.54 3.13 -0.13 2.72 1.02 -0.14 -0.98 119.74 126.89 1kzw s LYS 50 Ca 0.03 -0.90 -0.24 0.00 0.02 0.00 0.00 55.97 54.88 1kzw s LYS 50 Cb -0.21 -4.13 -0.03 0.00 -0.52 0.00 0.00 37.83 32.94 1kzw s LYS 50 CO 0.06 -1.34 0.74 -1.21 -0.92 0.00 0.00 175.35 172.67 1kzw s GLU 51 N 2.85 4.34 -0.09 1.68 2.02 -0.00 -1.86 118.70 127.64 1kzw s GLU 51 Ca 0.16 0.88 -0.02 0.00 0.02 0.00 0.00 54.97 56.02 1kzw s GLU 51 Cb -0.19 -3.52 0.03 0.00 0.10 0.00 0.00 34.13 30.55 1kzw s GLU 51 CO 0.11 -0.14 0.00 0.45 0.02 0.00 0.00 175.26 175.70 1kzw s SER 52 N 1.02 1.78 0.27 -0.19 0.15 -0.71 -2.15 113.70 113.87 1kzw s SER 52 Ca 0.36 -0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.76 1kzw s SER 52 Cb -0.17 -0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 63.65 1kzw s SER 52 CO 0.15 -0.21 0.39 -0.94 1.20 0.00 0.00 173.24 173.83 1kzw s SER 53 N 1.95 0.32 -1.07 5.45 1.04 -1.19 -0.88 113.70 119.31 1kzw s SER 53 Ca 0.04 -1.23 -0.07 0.00 0.48 0.00 0.00 55.95 55.17 1kzw s SER 53 Cb -0.13 0.56 -0.08 0.00 0.10 0.00 0.00 66.02 66.48 1kzw s SER 53 CO -0.06 -1.12 2.46 0.00 0.98 0.00 0.00 173.24 175.50 1kzw n ALA 54 N -0.42 5.69 0.13 5.32 0.00 0.27 -4.01 120.51 127.48 1kzw n ALA 54 Ca 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 51.00 1kzw n ALA 54 Cb 0.63 -3.06 0.00 0.00 0.00 0.00 0.00 19.45 17.02 1kzw n ALA 54 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1kzw n PHE 55 N 3.85 -3.62 -3.68 0.00 -0.00 -1.26 -4.82 117.46 107.93 1kzw n PHE 55 Ca 0.55 0.88 -0.14 0.00 -0.00 0.00 0.00 57.45 58.73 1kzw n PHE 55 Cb 0.21 2.40 -0.08 0.00 -0.00 0.00 0.00 39.48 42.01 1kzw n PHE 55 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 1kzw s ARG 56 N -1.91 0.70 -0.36 -4.13 1.70 -1.26 -5.14 118.95 108.55 1kzw s ARG 56 Ca 0.00 0.48 -0.01 0.00 -0.47 0.00 0.00 55.73 55.73 1kzw s ARG 56 Cb 0.00 0.33 0.09 0.00 -0.57 0.00 0.00 34.95 34.80 1kzw s ARG 56 CO 0.00 -0.14 0.11 -0.80 -1.08 0.00 0.00 175.30 173.39 1kzw s ASN 57 N -0.27 5.03 0.00 -2.89 0.01 -1.26 -3.19 114.94 112.37 1kzw s ASN 57 Ca -0.04 -1.83 0.01 0.00 -0.71 0.00 0.00 52.86 50.29 1kzw s ASN 57 Cb -0.03 -1.75 -0.00 0.00 0.41 0.00 0.00 41.25 39.88 1kzw s ASN 57 CO 0.03 -0.42 -0.03 0.27 -1.51 0.00 0.00 177.10 175.44 1kzw s ILE 58 N 1.12 0.19 -0.43 0.60 -4.36 -0.91 -5.00 121.20 112.40 1kzw s ILE 58 Ca 0.05 -0.20 -0.12 0.00 -0.26 0.00 0.00 60.65 60.12 1kzw s ILE 58 Cb -0.21 -0.18 0.07 0.00 1.25 0.00 0.00 42.46 43.38 1kzw s ILE 58 CO -0.04 -0.01 0.30 -1.61 0.24 0.00 0.00 174.94 173.82 1kzw s GLU 59 N -0.22 2.76 -0.53 0.37 8.01 -1.26 -0.82 118.70 127.00 1kzw s GLU 59 Ca -0.01 -1.37 -0.18 0.00 0.01 0.00 0.00 54.97 53.43 1kzw s GLU 59 Cb -0.02 -3.89 0.08 0.00 -4.31 0.00 0.00 34.13 25.99 1kzw s GLU 59 CO -0.00 -0.94 0.58 0.08 0.01 0.00 0.00 175.26 174.99 1kzw s VAL 60 N 1.52 4.98 -0.50 2.63 1.01 -0.15 -4.92 120.40 124.96 1kzw s VAL 60 Ca 0.03 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 1kzw s VAL 60 Cb -0.23 -4.32 0.08 0.00 0.00 0.00 0.00 36.38 31.91 1kzw s VAL 60 CO 0.04 -0.86 0.50 -0.69 0.00 0.00 0.00 175.10 174.10 1kzw s VAL 61 N 2.31 5.09 0.12 2.92 1.01 -1.26 -0.99 120.40 129.59 1kzw s VAL 61 Ca 0.10 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.22 1kzw s VAL 61 Cb -0.23 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1kzw s VAL 61 CO 0.08 -0.73 -0.22 0.72 0.00 0.00 0.00 175.10 174.95 1kzw s PHE 62 N 2.01 2.45 0.03 5.22 -0.12 -0.77 -4.98 117.98 121.82 1kzw s PHE 62 Ca 0.08 -0.31 -0.12 0.00 -0.05 0.00 0.00 56.93 56.53 1kzw s PHE 62 Cb -0.24 -1.31 -0.06 0.00 -0.63 0.00 0.00 43.02 40.78 1kzw s PHE 62 CO 0.08 0.36 0.39 -2.00 -0.05 0.00 0.00 175.22 173.99 1kzw s GLU 63 N -2.07 3.82 -0.59 1.99 -6.30 -1.26 -0.60 118.70 113.69 1kzw s GLU 63 Ca 0.16 0.27 -0.27 0.00 -2.50 0.00 0.00 54.97 52.63 1kzw s GLU 63 Cb -0.10 -3.11 -0.01 0.00 0.00 0.00 0.00 34.13 30.91 1kzw s GLU 63 CO 0.08 0.63 1.71 -0.51 0.02 0.00 0.00 175.26 177.20 1kzw s LEU 64 N -1.47 3.32 0.00 2.70 1.43 -0.71 -3.18 118.68 120.76 1kzw s LEU 64 Ca 0.28 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1kzw s LEU 64 Cb -0.15 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1kzw s LEU 64 CO 0.15 -2.13 0.00 0.61 0.23 0.00 0.00 176.35 175.21 1kzw n GLY 65 N 5.56 3.96 3.77 -3.19 0.00 -1.25 -5.04 105.19 109.00 1kzw n GLY 65 Ca 0.17 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 2.82 -1.19 1.61 0.11 -1.19 -4.92 120.40 117.63 1kzw s VAL 66 Ca 0.00 0.77 -0.11 0.00 -2.93 0.00 0.00 61.98 59.71 1kzw s VAL 66 Cb 0.00 -3.47 0.20 0.00 -1.53 0.00 0.00 36.38 31.58 1kzw s VAL 66 CO 0.00 0.15 1.44 0.41 -3.33 0.00 0.00 175.10 173.77 1kzw n THR 67 N 0.51 4.41 -3.47 5.04 -1.04 -1.26 -4.20 114.28 114.28 1kzw n THR 67 Ca 0.02 -4.90 -0.19 0.00 -2.04 0.00 0.00 64.05 56.94 1kzw n THR 67 Cb 0.43 -2.45 -0.01 0.00 -1.82 0.00 0.00 70.33 66.48 1kzw n THR 67 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1kzw s PHE 68 N 0.48 3.00 -0.89 -1.42 -0.71 -0.72 -4.51 117.98 113.21 1kzw s PHE 68 Ca 0.39 -0.28 -0.23 0.00 -1.04 0.00 0.00 56.93 55.76 1kzw s PHE 68 Cb -0.02 -2.03 0.06 0.00 -1.21 0.00 0.00 43.02 39.82 1kzw s PHE 68 CO -0.01 -0.05 1.31 -0.80 -1.34 0.00 0.00 175.22 174.33 1kzw s ASN 69 N -4.16 6.39 0.63 1.98 -0.87 -1.26 -1.84 114.94 115.81 1kzw s ASN 69 Ca 0.46 -1.22 -0.07 0.00 -1.57 0.00 0.00 52.86 50.46 1kzw s ASN 69 Cb -0.08 -2.53 0.01 0.00 -0.02 0.00 0.00 41.25 38.63 1kzw s ASN 69 CO 0.30 -1.53 0.96 -0.47 -2.57 0.00 0.00 177.10 173.80 1kzw s TYR 70 N 4.75 3.26 -0.19 2.20 5.04 0.44 -4.89 117.35 127.95 1kzw s TYR 70 Ca 0.39 0.74 -0.13 0.00 -2.44 0.00 0.00 57.07 55.63 1kzw s TYR 70 Cb -0.05 -2.85 0.06 0.00 0.35 0.00 0.00 41.96 39.47 1kzw s TYR 70 CO -0.01 -0.95 0.48 0.54 -1.34 0.00 0.00 175.55 174.27 1kzw s ASN 71 N -4.33 -0.59 -0.04 4.32 2.20 -1.26 -0.30 114.94 114.94 1kzw s ASN 71 Ca 0.55 1.03 -0.05 0.00 -0.94 0.00 0.00 52.86 53.46 1kzw s ASN 71 Cb -0.11 0.95 -0.03 0.00 -2.00 0.00 0.00 41.25 40.06 1kzw s ASN 71 CO 0.47 -0.20 0.29 -0.07 -2.94 0.00 0.00 177.10 174.66 1kzw h LEU 72 N 6.62 -0.15 0.00 3.54 3.38 -1.87 -3.50 115.31 123.33 1kzw h LEU 72 Ca -0.33 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1kzw h LEU 72 Cb 1.19 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1kzw h LEU 72 CO 0.24 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1kzw n ALA 73 N -2.45 0.82 -0.00 1.53 0.00 -1.26 -5.07 120.51 114.07 1kzw n ALA 73 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 1kzw n ALA 73 Cb 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.52 1kzw n ALA 73 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1kzw h ASP 74 N 0.00 0.00 -0.07 0.00 3.58 -1.94 -3.48 116.42 114.51 1kzw h ASP 74 Ca 0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1kzw h ASP 74 Cb 0.00 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 40.88 1kzw h ASP 74 CO 0.00 0.03 -0.41 0.61 -2.88 0.00 0.00 179.24 176.59 1kzw n GLY 75 N 1.91 1.31 3.12 -0.78 0.00 -1.26 -5.08 105.19 104.41 1kzw n GLY 75 Ca -0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 3.41 0.02 2.61 2.01 -1.26 -5.05 115.64 117.38 1kzw s THR 76 Ca 0.22 -2.20 -0.15 0.00 0.31 0.00 0.00 61.69 59.87 1kzw s THR 76 Cb 0.40 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 69.54 1kzw s THR 76 CO -0.08 -0.73 0.43 -0.70 -0.69 0.00 0.00 174.62 172.85 1kzw s GLU 77 N 0.94 3.94 -0.07 4.92 2.12 -1.26 -2.29 118.70 127.00 1kzw s GLU 77 Ca 0.10 0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.84 1kzw s GLU 77 Cb -0.23 -3.19 0.03 0.00 0.26 0.00 0.00 34.13 31.01 1kzw s GLU 77 CO -0.04 0.66 0.02 -0.51 -0.54 0.00 0.00 175.26 174.85 1kzw s LEU 78 N -1.21 0.49 -0.21 2.70 1.43 0.59 -1.24 118.68 121.22 1kzw s LEU 78 Ca 0.26 -0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 53.11 1kzw s LEU 78 Cb -0.17 -0.37 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 1kzw s LEU 78 CO 0.15 -0.21 0.58 -0.60 0.23 0.00 0.00 176.35 176.50 1kzw s ARG 79 N 2.02 4.18 0.00 1.70 3.52 0.43 -0.42 118.95 130.37 1kzw s ARG 79 Ca 0.05 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1kzw s ARG 79 Cb -0.12 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 1kzw s ARG 79 CO -0.05 -0.24 0.00 0.41 -0.81 0.00 0.00 175.30 174.61 1kzw n GLY 80 N 3.94 -1.45 3.35 8.12 0.00 -0.77 -1.07 105.19 117.31 1kzw n GLY 80 Ca -0.03 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 1kzw n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kzw s THR 81 N -2.67 2.80 -0.37 2.61 -4.23 -0.88 -1.76 115.64 111.13 1kzw s THR 81 Ca 0.00 -0.76 -0.23 0.00 -1.18 0.00 0.00 61.69 59.52 1kzw s THR 81 Cb 0.00 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.71 1kzw s THR 81 CO 0.00 0.54 0.77 0.26 -0.54 0.00 0.00 174.62 175.65 1kzw s TRP 82 N 0.19 3.10 -0.25 3.99 0.52 -1.26 -0.67 118.94 124.55 1kzw s TRP 82 Ca -0.09 0.49 -0.05 0.00 0.02 0.00 0.00 56.10 56.47 1kzw s TRP 82 Cb -0.16 -3.41 0.00 0.00 -1.15 0.00 0.00 33.47 28.75 1kzw s TRP 82 CO 0.06 -0.75 0.00 -1.12 0.02 0.00 0.00 176.95 175.15 1kzw s SER 83 N 1.87 4.64 -0.72 2.95 0.01 0.01 -3.91 113.70 118.55 1kzw s SER 83 Ca 0.31 -0.57 -0.24 0.00 1.31 0.00 0.00 55.95 56.76 1kzw s SER 83 Cb -0.13 -1.78 0.06 0.00 0.21 0.00 0.00 66.02 64.37 1kzw s SER 83 CO 0.17 -0.10 1.11 -0.22 0.41 0.00 0.00 173.24 174.62 1kzw s LEU 84 N 1.47 3.92 -1.01 2.44 2.96 -1.26 -0.57 118.68 126.62 1kzw s LEU 84 Ca 0.04 -0.86 -0.14 0.00 -0.22 0.00 0.00 54.13 52.95 1kzw s LEU 84 Cb -0.16 -2.48 0.21 0.00 0.50 0.00 0.00 46.19 44.26 1kzw s LEU 84 CO -0.01 -1.58 1.08 -0.70 -1.32 0.00 0.00 176.35 173.82 1kzw s GLU 85 N 4.67 3.88 2.12 1.98 2.12 0.50 -4.89 118.70 129.07 1kzw s GLU 85 Ca 0.28 -2.55 0.00 0.00 0.36 0.00 0.00 54.97 53.07 1kzw s GLU 85 Cb -0.12 -4.71 0.00 0.00 0.26 0.00 0.00 34.13 29.56 1kzw s GLU 85 CO 0.10 -1.48 0.00 0.41 -0.54 0.00 0.00 175.26 173.75 1kzw n GLY 86 N 3.98 1.57 2.60 -1.50 0.00 -1.26 -2.41 105.19 108.16 1kzw n GLY 86 Ca 0.24 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 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 5.14 3.70 -3.51 1.61 5.15 -1.26 -4.70 115.26 121.38 1kzw n ASN 87 Ca 0.00 -3.46 -0.18 0.00 -0.60 0.00 0.00 54.58 50.34 1kzw n ASN 87 Cb 0.00 -0.51 -0.13 0.00 -0.53 0.00 0.00 39.78 38.61 1kzw n ASN 87 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1kzw s LYS 88 N -3.34 0.18 -0.63 1.20 1.02 -1.01 -4.43 119.74 112.72 1kzw s LYS 88 Ca 0.44 0.25 -0.24 0.00 0.02 0.00 0.00 55.97 56.43 1kzw s LYS 88 Cb 0.38 -1.11 0.05 0.00 -0.52 0.00 0.00 37.83 36.63 1kzw s LYS 88 CO -0.13 -0.62 1.01 -0.51 -0.92 0.00 0.00 175.35 174.19 1kzw s LEU 89 N 2.32 4.06 -0.42 3.17 1.43 0.19 -0.37 118.68 129.05 1kzw s LEU 89 Ca 0.06 -0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 1kzw s LEU 89 Cb -0.15 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.49 1kzw s LEU 89 CO -0.11 -1.43 0.32 -0.63 0.23 0.00 0.00 176.35 174.72 1kzw s ILE 90 N 4.32 5.16 -0.62 -0.59 1.01 0.27 -0.74 121.20 130.00 1kzw s ILE 90 Ca 0.28 -0.81 -0.23 0.00 0.00 0.00 0.00 60.65 59.89 1kzw s ILE 90 Cb -0.14 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.46 1kzw s ILE 90 CO 0.15 -0.38 0.93 -0.83 0.00 0.00 0.00 174.94 174.81 1kzw s GLY 91 N 1.93 1.41 -0.75 6.18 0.00 0.52 -0.81 107.32 115.80 1kzw s GLY 91 Ca 0.04 -1.70 -0.17 0.00 0.00 0.00 0.00 44.72 42.90 1kzw s GLY 91 CO 0.09 2.02 0.82 0.54 0.00 0.00 0.00 173.10 176.57 1kzw s LYS 92 N 3.93 3.36 -0.03 2.90 1.02 0.15 -1.05 119.74 130.03 1kzw s LYS 92 Ca 0.23 -1.82 0.07 0.00 0.02 0.00 0.00 55.97 54.47 1kzw s LYS 92 Cb -0.16 -4.49 -0.02 0.00 -0.52 0.00 0.00 37.83 32.65 1kzw s LYS 92 CO 0.12 -1.51 -0.24 -0.06 -0.92 0.00 0.00 175.35 172.74 1kzw s PHE 93 N 1.83 2.19 -0.04 3.18 0.08 -0.58 -2.08 117.98 122.57 1kzw s PHE 93 Ca 0.18 -0.50 0.07 0.00 0.12 0.00 0.00 56.93 56.80 1kzw s PHE 93 Cb -0.15 -1.43 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 1kzw s PHE 93 CO -0.03 -0.10 -0.25 0.15 -0.10 0.00 0.00 175.22 174.90 1kzw s LYS 94 N -0.41 2.29 0.11 0.44 1.02 -0.24 -0.20 119.74 122.76 1kzw s LYS 94 Ca 0.05 -0.90 -0.31 0.00 0.02 0.00 0.00 55.97 54.83 1kzw s LYS 94 Cb -0.11 -2.11 -0.08 0.00 -0.52 0.00 0.00 37.83 35.02 1kzw s LYS 94 CO 0.01 0.50 1.35 1.03 -0.92 0.00 0.00 175.35 177.32 1kzw s ARG 95 N -0.47 4.34 -1.45 1.68 0.52 -1.11 -0.43 118.95 122.04 1kzw s ARG 95 Ca 0.06 2.02 -0.13 0.00 -0.52 0.00 0.00 55.73 57.15 1kzw s ARG 95 Cb -0.11 -3.26 0.04 0.00 0.52 0.00 0.00 34.95 32.14 1kzw s ARG 95 CO 0.01 -0.39 2.27 0.25 0.02 0.00 0.00 175.30 177.45 1kzw n THR 96 N 3.88 3.70 0.02 0.02 -2.24 -0.38 -1.34 114.28 117.95 1kzw n THR 96 Ca 0.11 -3.17 0.00 0.00 -2.27 0.00 0.00 64.05 58.72 1kzw n THR 96 Cb 0.43 -2.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.09 1kzw n THR 96 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kzw n ASP 97 N 5.44 -0.40 -0.43 3.42 2.03 -1.26 -4.84 116.55 120.50 1kzw n ASP 97 Ca 0.54 0.43 0.02 0.00 0.52 0.00 0.00 54.79 56.30 1kzw n ASP 97 Cb 0.37 0.72 0.03 0.00 -0.72 0.00 0.00 41.12 41.52 1kzw n ASP 97 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1kzw n ASN 98 N -2.73 0.57 -0.08 1.67 0.23 -1.21 -5.06 115.26 108.65 1kzw n ASN 98 Ca 0.00 -2.26 -0.01 0.00 -0.53 0.00 0.00 54.58 51.78 1kzw n ASN 98 Cb 0.00 -0.26 -0.00 0.00 -2.08 0.00 0.00 39.78 37.44 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1kzw n GLY 99 N -0.32 0.18 3.83 4.83 0.00 -0.45 -4.90 105.19 108.38 1kzw n GLY 99 Ca 0.04 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1kzw n GLY 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kzw s ASN 100 N -2.05 6.65 -0.04 1.61 3.84 -1.26 -4.40 114.94 119.28 1kzw s ASN 100 Ca 0.00 0.77 -0.29 0.00 0.21 0.00 0.00 52.86 53.55 1kzw s ASN 100 Cb 0.00 -2.19 -0.02 0.00 -0.55 0.00 0.00 41.25 38.48 1kzw s ASN 100 CO 0.00 0.32 0.98 -1.83 -2.79 0.00 0.00 177.10 173.77 1kzw s GLU 101 N -0.86 4.50 -0.13 0.43 1.03 -1.26 -2.75 118.70 119.65 1kzw s GLU 101 Ca 0.21 1.38 0.01 0.00 0.03 0.00 0.00 54.97 56.60 1kzw s GLU 101 Cb -0.15 -3.49 0.02 0.00 -0.80 0.00 0.00 34.13 29.71 1kzw s GLU 101 CO 0.10 -0.14 -0.16 -1.17 -1.33 0.00 0.00 175.26 172.55 1kzw s LEU 102 N 1.38 1.79 -0.35 1.83 0.20 0.72 -3.51 118.68 120.74 1kzw s LEU 102 Ca 0.50 -0.49 -0.14 0.00 0.69 0.00 0.00 54.13 54.69 1kzw s LEU 102 Cb -0.20 -1.20 -0.01 0.00 -0.43 0.00 0.00 46.19 44.35 1kzw s LEU 102 CO 0.24 -0.00 0.31 0.20 -0.29 0.00 0.00 176.35 176.80 1kzw s ASN 103 N 1.18 6.12 -0.53 3.68 0.01 -0.12 -1.52 114.94 123.75 1kzw s ASN 103 Ca -0.01 -0.39 -0.07 0.00 -0.71 0.00 0.00 52.86 51.68 1kzw s ASN 103 Cb -0.14 -2.17 0.14 0.00 0.41 0.00 0.00 41.25 39.49 1kzw s ASN 103 CO -0.06 -0.31 0.39 -0.89 -1.51 0.00 0.00 177.10 174.72 1kzw s THR 104 N 1.87 4.12 -0.50 1.60 2.01 -0.21 -0.55 115.64 123.97 1kzw s THR 104 Ca 0.09 -2.16 -0.18 0.00 0.31 0.00 0.00 61.69 59.75 1kzw s THR 104 Cb -0.17 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 68.70 1kzw s THR 104 CO 0.11 -0.81 0.57 -0.69 -0.69 0.00 0.00 174.62 173.11 1kzw s VAL 105 N 0.89 4.96 -0.22 3.82 1.01 -0.01 -0.35 120.40 130.50 1kzw s VAL 105 Ca 0.10 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1kzw s VAL 105 Cb -0.23 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 1kzw s VAL 105 CO -0.03 -0.76 0.65 -0.13 0.00 0.00 0.00 175.10 174.83 1kzw s ARG 106 N 2.39 4.18 0.04 2.72 0.52 0.09 -0.77 118.95 128.11 1kzw s ARG 106 Ca 0.12 0.63 -0.07 0.00 -0.52 0.00 0.00 55.73 55.89 1kzw s ARG 106 Cb -0.21 -3.61 -0.01 0.00 0.52 0.00 0.00 34.95 31.65 1kzw s ARG 106 CO 0.10 -0.32 0.13 -1.83 0.02 0.00 0.00 175.30 173.40 1kzw s GLU 107 N 2.19 0.64 -0.29 3.54 -1.05 -1.06 -0.64 118.70 122.03 1kzw s GLU 107 Ca 0.29 -0.73 -0.16 0.00 -0.15 0.00 0.00 54.97 54.21 1kzw s GLU 107 Cb -0.16 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.76 1kzw s GLU 107 CO 0.10 -0.17 0.43 0.42 0.95 0.00 0.00 175.26 176.98 1kzw s ILE 108 N -2.69 5.13 -0.94 1.83 1.09 -1.26 -0.38 121.20 123.97 1kzw s ILE 108 Ca -0.04 0.56 -0.15 0.00 -1.10 0.00 0.00 60.65 59.92 1kzw s ILE 108 Cb -0.01 -3.78 0.20 0.00 -1.06 0.00 0.00 42.46 37.81 1kzw s ILE 108 CO -0.05 0.06 1.00 -0.63 -0.10 0.00 0.00 174.94 175.22 1kzw s ILE 109 N 2.17 5.35 0.00 2.92 1.01 0.41 -4.91 121.20 128.15 1kzw s ILE 109 Ca 0.17 -2.37 0.00 0.00 0.00 0.00 0.00 60.65 58.45 1kzw s ILE 109 Cb -0.16 -4.63 0.00 0.00 0.01 0.00 0.00 42.46 37.68 1kzw s ILE 109 CO 0.10 -1.26 0.00 0.61 0.00 0.00 0.00 174.94 174.40 1kzw n GLY 110 N 4.25 1.11 1.48 6.18 0.00 -1.26 -2.29 105.19 114.67 1kzw n GLY 110 Ca 0.21 0.34 0.09 0.00 0.00 0.00 0.00 46.02 46.66 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 5.90 4.58 -3.74 1.61 5.75 -1.26 -5.00 116.55 124.39 1kzw n ASP 111 Ca 0.00 -2.43 -0.28 0.00 -0.01 0.00 0.00 54.79 52.07 1kzw n ASP 111 Cb 0.00 -0.55 -0.16 0.00 -1.03 0.00 0.00 41.12 39.37 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 -1.82 0.67 -0.58 0.11 2.02 -0.97 -1.25 118.70 116.89 1kzw s GLU 112 Ca 0.49 -0.45 -0.28 0.00 0.02 0.00 0.00 54.97 54.75 1kzw s GLU 112 Cb 0.31 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.44 1kzw s GLU 112 CO 0.24 -0.65 1.41 -1.17 0.02 0.00 0.00 175.26 175.11 1kzw s LEU 113 N 1.85 3.38 -0.56 1.80 2.96 0.37 -0.44 118.68 128.04 1kzw s LEU 113 Ca -0.01 0.23 -0.23 0.00 -0.22 0.00 0.00 54.13 53.91 1kzw s LEU 113 Cb -0.17 -3.01 0.05 0.00 0.50 0.00 0.00 46.19 43.56 1kzw s LEU 113 CO -0.08 -1.73 0.87 0.54 -1.32 0.00 0.00 176.35 174.62 1kzw s VAL 114 N 6.10 4.49 -0.64 1.68 0.11 0.48 -0.70 120.40 131.92 1kzw s VAL 114 Ca 0.51 -0.01 -0.21 0.00 -2.93 0.00 0.00 61.98 59.34 1kzw s VAL 114 Cb -0.11 -4.51 0.08 0.00 -1.53 0.00 0.00 36.38 30.32 1kzw s VAL 114 CO 0.24 -1.10 0.89 -1.58 -3.33 0.00 0.00 175.10 170.23 1kzw s GLN 115 N 3.65 3.10 -0.48 1.54 0.74 -0.61 -2.58 119.66 125.02 1kzw s GLN 115 Ca 0.25 -0.99 -0.16 0.00 0.05 0.00 0.00 55.36 54.52 1kzw s GLN 115 Cb -0.15 -4.25 0.07 0.00 1.10 0.00 0.00 33.01 29.79 1kzw s GLN 115 CO 0.16 -1.74 0.44 0.99 -0.55 0.00 0.00 175.29 174.59 1kzw s THR 116 N 3.65 5.17 -0.15 -0.34 2.01 0.05 -1.92 115.64 124.11 1kzw s THR 116 Ca 0.19 -0.99 -0.23 0.00 0.31 0.00 0.00 61.69 60.97 1kzw s THR 116 Cb -0.19 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 1kzw s THR 116 CO 0.09 -0.64 0.70 -0.31 -0.69 0.00 0.00 174.62 173.77 1kzw s TYR 117 N 1.82 3.46 -0.26 4.92 2.02 0.39 -0.83 117.35 128.87 1kzw s TYR 117 Ca 0.06 1.12 0.02 0.00 -0.37 0.00 0.00 57.07 57.90 1kzw s TYR 117 Cb -0.24 -2.85 0.06 0.00 -0.40 0.00 0.00 41.96 38.53 1kzw s TYR 117 CO 0.07 -0.10 -0.08 0.08 -1.57 0.00 0.00 175.55 173.96 1kzw s VAL 118 N 1.58 1.99 -0.33 0.71 1.01 0.28 -0.98 120.40 124.67 1kzw s VAL 118 Ca 0.34 -1.59 -0.02 0.00 0.00 0.00 0.00 61.98 60.71 1kzw s VAL 118 Cb -0.17 -2.18 0.07 0.00 0.00 0.00 0.00 36.38 34.10 1kzw s VAL 118 CO 0.13 -0.11 0.07 -0.47 0.00 0.00 0.00 175.10 174.72 1kzw s TYR 119 N 1.17 3.36 0.00 5.22 5.04 -1.21 -0.95 117.35 129.99 1kzw s TYR 119 Ca -0.06 -2.00 0.00 0.00 -2.44 0.00 0.00 57.07 52.57 1kzw s TYR 119 Cb -0.20 -2.44 0.00 0.00 0.35 0.00 0.00 41.96 39.67 1kzw s TYR 119 CO -0.06 -0.84 0.00 0.39 -1.34 0.00 0.00 175.55 173.70 1kzw n GLU 120 N 4.63 0.00 -2.86 4.97 -0.58 -1.23 -2.92 120.64 122.64 1kzw n GLU 120 Ca -0.10 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.53 1kzw n GLU 120 Cb 0.43 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.35 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 1.66 2.82 0.62 0.00 -1.26 -5.10 105.19 103.94 1kzw n GLY 121 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.78 1.17 -0.40 1.61 0.11 -1.15 -5.12 120.40 115.84 1kzw s VAL 122 Ca 0.28 -1.34 -0.22 0.00 -2.93 0.00 0.00 61.98 57.77 1kzw s VAL 122 Cb 0.33 -1.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.46 1kzw s VAL 122 CO -0.06 -0.44 0.72 -0.70 -3.33 0.00 0.00 175.10 171.29 1kzw s GLU 123 N 1.50 3.54 -0.18 1.54 2.12 -1.26 -3.31 118.70 122.65 1kzw s GLU 123 Ca 0.04 -0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.37 1kzw s GLU 123 Cb -0.18 -3.88 0.03 0.00 0.26 0.00 0.00 34.13 30.37 1kzw s GLU 123 CO -0.15 -0.93 -0.14 0.00 -0.54 0.00 0.00 175.26 173.49 1kzw s ALA 124 N 3.01 2.10 -0.46 6.30 0.00 -0.15 -4.76 121.76 127.81 1kzw s ALA 124 Ca 0.27 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 1kzw s ALA 124 Cb -0.13 -1.21 0.10 0.00 0.00 0.00 0.00 23.12 21.88 1kzw s ALA 124 CO 0.19 -0.59 0.33 0.15 0.00 0.00 0.00 175.76 175.84 1kzw s LYS 125 N 1.37 2.61 -0.39 0.00 1.02 -0.24 -0.46 119.74 123.64 1kzw s LYS 125 Ca 0.02 -1.61 -0.17 0.00 0.02 0.00 0.00 55.97 54.22 1kzw s LYS 125 Cb -0.15 -3.92 0.01 0.00 -0.52 0.00 0.00 37.83 33.25 1kzw s LYS 125 CO -0.10 -1.10 0.45 -0.98 -0.92 0.00 0.00 175.35 172.70 1kzw s ARG 126 N 1.43 3.30 -0.23 1.68 1.70 -0.81 -0.88 118.95 125.15 1kzw s ARG 126 Ca 0.04 -0.55 -0.12 0.00 -0.47 0.00 0.00 55.73 54.62 1kzw s ARG 126 Cb -0.25 -3.90 -0.05 0.00 -0.57 0.00 0.00 34.95 30.18 1kzw s ARG 126 CO 0.01 -0.76 0.25 0.42 -1.08 0.00 0.00 175.30 174.14 1kzw s ILE 127 N 2.21 5.30 -0.29 4.99 1.01 -0.66 -1.57 121.20 132.19 1kzw s ILE 127 Ca 0.14 0.37 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 1kzw s ILE 127 Cb -0.16 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1kzw s ILE 127 CO 0.14 0.31 0.12 -0.36 0.00 0.00 0.00 174.94 175.14 1kzw s PHE 128 N 1.17 3.15 0.23 3.97 0.40 0.12 -0.85 117.98 126.16 1kzw s PHE 128 Ca 0.12 -0.59 -0.25 0.00 -0.60 0.00 0.00 56.93 55.60 1kzw s PHE 128 Cb -0.14 -2.31 -0.09 0.00 0.51 0.00 0.00 43.02 41.00 1kzw s PHE 128 CO 0.06 -0.45 0.83 0.21 0.70 0.00 0.00 175.22 176.57 1kzw s LYS 129 N 1.60 4.56 0.03 0.44 2.20 0.31 -0.48 119.74 128.40 1kzw s LYS 129 Ca 0.05 1.20 -0.30 0.00 -0.36 0.00 0.00 55.97 56.55 1kzw s LYS 129 Cb -0.17 -3.08 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 1kzw s LYS 129 CO 0.05 0.46 1.57 0.21 -0.36 0.00 0.00 175.35 177.28 1kzw s LYS 130 N -1.53 4.22 0.00 4.03 2.20 -0.38 -0.95 119.74 127.33 1kzw s LYS 130 Ca 0.41 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 58.22 1kzw s LYS 130 Cb -0.21 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1kzw s LYS 130 CO 0.26 -0.70 0.00 -3.47 -0.36 0.00 0.00 175.35 171.08