#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 0.54 -0.49 0.00 0.04 -1.98 -3.42 116.94 111.63 1kzw h PHE 2 Ca 0.00 -0.19 -0.57 0.00 2.80 0.00 0.00 57.97 60.02 1kzw h PHE 2 Cb 0.00 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 1kzw h PHE 2 CO 0.00 0.88 1.98 -0.40 -0.60 0.00 0.00 178.31 180.17 1kzw n ASP 3 N -3.95 3.85 -2.56 2.17 5.68 -1.26 -4.67 116.55 115.81 1kzw n ASP 3 Ca -0.03 -2.80 -0.12 0.00 -0.50 0.00 0.00 54.79 51.34 1kzw n ASP 3 Cb 0.59 -1.65 -0.03 0.00 -1.14 0.00 0.00 41.12 38.89 1kzw n ASP 3 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1kzw n SER 4 N 9.93 -1.03 -4.56 -1.12 2.88 -1.17 -4.91 113.62 113.64 1kzw n SER 4 Ca 0.48 -2.48 -0.41 0.00 -1.33 0.00 0.00 58.87 55.13 1kzw n SER 4 Cb 0.44 1.94 -0.09 0.00 -0.75 0.00 0.00 64.21 65.76 1kzw n SER 4 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1kzw s THR 5 N -2.75 5.09 -0.33 2.46 2.01 -1.26 -1.32 115.64 119.54 1kzw s THR 5 Ca 0.23 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.52 1kzw s THR 5 Cb -0.01 -3.87 0.09 0.00 0.01 0.00 0.00 72.50 68.72 1kzw s THR 5 CO 0.16 -0.11 0.05 0.26 -0.69 0.00 0.00 174.62 174.29 1kzw s TRP 6 N 2.21 3.54 0.04 4.92 0.52 -0.23 -0.43 118.94 129.51 1kzw s TRP 6 Ca 0.16 -2.53 -0.23 0.00 0.02 0.00 0.00 56.10 53.52 1kzw s TRP 6 Cb -0.16 -2.66 -0.06 0.00 -1.15 0.00 0.00 33.47 29.44 1kzw s TRP 6 CO 0.12 -0.92 0.68 0.21 0.02 0.00 0.00 176.95 177.07 1kzw s LYS 7 N 1.06 4.41 -0.03 4.98 2.47 -0.25 -0.81 119.74 131.56 1kzw s LYS 7 Ca 0.04 0.91 -0.30 0.00 -1.56 0.00 0.00 55.97 55.06 1kzw s LYS 7 Cb -0.20 -3.33 -0.07 0.00 -1.46 0.00 0.00 37.83 32.76 1kzw s LYS 7 CO -0.05 0.37 1.83 0.54 0.16 0.00 0.00 175.35 178.20 1kzw s VAL 8 N -0.30 3.29 -0.20 4.02 0.11 -0.52 -0.47 120.40 126.34 1kzw s VAL 8 Ca 0.34 0.35 -0.12 0.00 -2.93 0.00 0.00 61.98 59.62 1kzw s VAL 8 Cb -0.20 -3.24 -0.08 0.00 -1.53 0.00 0.00 36.38 31.33 1kzw s VAL 8 CO 0.21 -0.04 -0.29 -0.67 -3.33 0.00 0.00 175.10 170.97 1kzw n ASP 9 N 7.65 1.65 -3.24 3.54 2.03 0.05 -4.88 116.55 123.35 1kzw n ASP 9 Ca 0.19 0.28 -0.16 0.00 0.52 0.00 0.00 54.79 55.62 1kzw n ASP 9 Cb 0.42 -0.67 -0.06 0.00 -0.72 0.00 0.00 41.12 40.10 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 -2.52 0.81 -0.14 -0.67 1.70 -1.05 -5.05 118.95 112.03 1kzw s ARG 10 Ca -0.29 -1.20 -0.29 0.00 -0.47 0.00 0.00 55.73 53.48 1kzw s ARG 10 Cb 0.09 -0.72 -0.02 0.00 -0.57 0.00 0.00 34.95 33.73 1kzw s ARG 10 CO 0.38 -1.27 1.35 -1.54 -1.08 0.00 0.00 175.30 173.14 1kzw s SER 11 N 0.98 6.88 -0.32 -2.89 1.04 -1.26 -3.73 113.70 114.41 1kzw s SER 11 Ca 0.24 1.82 -0.10 0.00 0.48 0.00 0.00 55.95 58.39 1kzw s SER 11 Cb -0.07 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.51 1kzw s SER 11 CO -0.07 -0.79 0.16 -1.61 0.98 0.00 0.00 173.24 171.90 1kzw s GLU 12 N 3.58 3.30 -1.54 4.02 0.41 0.48 -4.60 118.70 124.35 1kzw s GLU 12 Ca 0.59 -0.75 0.00 0.00 -0.41 0.00 0.00 54.97 54.41 1kzw s GLU 12 Cb -0.24 -3.58 0.00 0.00 -1.78 0.00 0.00 34.13 28.53 1kzw s GLU 12 CO 0.18 -0.44 0.00 -1.71 -0.49 0.00 0.00 175.26 172.81 1kzw n ASN 13 N 4.98 -5.37 0.07 -0.19 5.15 -1.26 -2.06 115.26 116.58 1kzw n ASN 13 Ca -0.14 0.36 -0.13 0.00 -0.60 0.00 0.00 54.58 54.07 1kzw n ASN 13 Cb 0.49 -4.15 -0.04 0.00 -0.53 0.00 0.00 39.78 35.55 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 0.62 0.00 1.20 3.20 -1.90 -2.35 116.97 117.74 1kzw h TYR 14 Ca -0.30 -0.33 -0.01 0.00 3.14 0.00 0.00 58.73 61.23 1kzw h TYR 14 Cb 1.15 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 1kzw h TYR 14 CO 0.54 1.15 -0.06 0.38 -1.64 0.00 0.00 178.16 178.53 1kzw h ASP 15 N 0.24 0.00 -0.07 -2.11 2.03 -1.92 -1.57 116.42 113.01 1kzw h ASP 15 Ca -0.08 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.17 1kzw h ASP 15 Cb 1.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 1kzw h ASP 15 CO 0.16 0.06 -0.14 0.50 -1.03 0.00 0.00 179.24 178.79 1kzw h LYS 16 N 0.00 0.22 -0.79 4.15 3.11 -1.87 -2.09 116.57 119.30 1kzw h LYS 16 Ca -0.00 -0.14 0.15 0.00 -2.81 0.00 0.00 60.65 57.85 1kzw h LYS 16 Cb 0.14 0.02 -0.15 0.00 -1.00 0.00 0.00 32.23 31.24 1kzw h LYS 16 CO 0.01 0.73 -0.23 0.35 -2.81 0.00 0.00 179.45 177.50 1kzw h PHE 17 N -0.26 -0.52 -0.21 1.91 3.04 -1.39 -1.60 116.94 117.91 1kzw h PHE 17 Ca 0.00 0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.97 1kzw h PHE 17 Cb 0.72 0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 1kzw h PHE 17 CO 0.11 -0.35 -0.13 0.52 -2.02 0.00 0.00 178.31 176.44 1kzw h MET 18 N -0.02 0.34 -0.68 1.11 2.86 -1.34 -1.83 114.93 115.37 1kzw h MET 18 Ca 0.37 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.94 1kzw h MET 18 Cb 0.58 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.16 1kzw h MET 18 CO -0.82 0.47 0.44 1.49 1.06 0.00 0.00 176.91 179.55 1kzw h GLU 19 N 0.32 0.85 -0.42 1.72 4.22 -0.94 -2.75 114.58 117.59 1kzw h GLU 19 Ca 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 1kzw h GLU 19 Cb 0.42 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1kzw h GLU 19 CO 0.02 0.56 0.16 -0.22 -2.18 0.00 0.00 179.01 177.35 1kzw h LYS 20 N 0.88 0.59 -0.03 1.92 1.63 -1.03 -2.84 116.57 117.69 1kzw h LYS 20 Ca 0.26 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1kzw h LYS 20 Cb -0.05 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.47 1kzw h LYS 20 CO -0.08 0.50 0.00 0.52 -3.45 0.00 0.00 179.45 176.95 1kzw h MET 21 N 0.59 0.04 -1.13 1.90 2.86 -1.25 -3.48 114.93 114.46 1kzw h MET 21 Ca 0.14 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1kzw h MET 21 Cb 0.14 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1kzw h MET 21 CO -0.01 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.41 1kzw n GLY 22 N -1.49 0.49 3.92 8.32 0.00 -1.05 -5.11 105.19 110.26 1kzw n GLY 22 Ca -0.03 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.12 4.82 0.64 1.61 -7.23 -1.13 -5.07 120.40 111.92 1kzw s VAL 23 Ca 0.00 -0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 59.95 1kzw s VAL 23 Cb 0.00 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.12 1kzw s VAL 23 CO 0.00 -0.70 1.10 0.54 -0.31 0.00 0.00 175.10 175.73 1kzw s ASN 24 N -4.11 5.30 0.34 4.85 2.20 -1.26 -4.90 114.94 117.36 1kzw s ASN 24 Ca 0.46 1.96 0.02 0.00 -0.94 0.00 0.00 52.86 54.36 1kzw s ASN 24 Cb -0.10 -2.55 0.62 0.00 -2.00 0.00 0.00 41.25 37.22 1kzw s ASN 24 CO 0.42 -1.50 1.98 -0.29 -2.94 0.00 0.00 177.10 174.77 1kzw h ILE 25 N 0.17 1.13 0.54 0.54 2.10 -2.00 -1.54 117.51 118.45 1kzw h ILE 25 Ca -0.47 -0.31 -0.02 0.00 1.08 0.00 0.00 64.86 65.14 1kzw h ILE 25 Cb 1.24 0.15 -0.00 0.00 -1.09 0.00 0.00 36.82 37.12 1kzw h ILE 25 CO 0.55 0.16 -0.30 0.58 -1.08 0.00 0.00 178.15 178.06 1kzw h VAL 26 N 0.90 0.38 0.00 2.19 2.07 -2.03 -3.19 116.25 116.57 1kzw h VAL 26 Ca 0.28 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.75 1kzw h VAL 26 Cb 0.01 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1kzw h VAL 26 CO -0.08 0.00 -0.23 0.11 0.02 0.00 0.00 177.57 177.40 1kzw h LYS 27 N -0.79 0.00 -0.80 1.57 6.56 -1.95 -3.03 116.57 118.13 1kzw h LYS 27 Ca -0.07 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.55 1kzw h LYS 27 Cb 0.63 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.24 1kzw h LYS 27 CO 0.09 0.23 0.51 -0.09 -2.06 0.00 0.00 179.45 178.13 1kzw h ARG 28 N 0.00 0.98 0.02 3.15 2.43 -1.26 0.70 114.38 120.39 1kzw h ARG 28 Ca -0.00 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 1kzw h ARG 28 Cb 0.44 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1kzw h ARG 28 CO 0.03 0.65 -0.21 1.57 -1.51 0.00 0.00 179.97 180.49 1kzw h LYS 29 N 1.01 0.12 0.10 0.20 -0.00 -1.69 -3.35 116.57 112.95 1kzw h LYS 29 Ca 0.31 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.65 60.81 1kzw h LYS 29 Cb -0.01 0.05 0.00 0.00 -0.00 0.00 0.00 32.23 32.26 1kzw h LYS 29 CO -0.10 0.96 -0.05 -0.07 -0.00 0.00 0.00 179.45 180.18 1kzw h LEU 30 N -0.66 -0.12 -1.07 7.07 3.38 -1.42 -1.43 115.31 121.07 1kzw h LEU 30 Ca -0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1kzw h LEU 30 Cb 1.04 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1kzw h LEU 30 CO 0.04 0.14 0.18 0.00 0.09 0.00 0.00 178.44 178.89 1kzw h ALA 31 N 0.49 1.25 0.12 1.53 0.00 -1.12 -2.77 119.26 118.76 1kzw h ALA 31 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1kzw h ALA 31 Cb 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1kzw h ALA 31 CO 0.02 0.53 -0.06 0.00 0.00 0.00 0.00 179.25 179.75 1kzw h ALA 32 N 1.37 -0.16 -1.00 0.00 0.00 -1.68 -3.35 119.26 114.44 1kzw h ALA 32 Ca 0.19 -0.11 -0.75 0.00 0.00 0.00 0.00 54.91 54.24 1kzw h ALA 32 Cb 0.23 0.06 -0.28 0.00 0.00 0.00 0.00 17.79 17.81 1kzw h ALA 32 CO -0.01 -0.50 1.02 0.72 0.00 0.00 0.00 179.25 180.48 1kzw n HIS 33 N -5.07 3.04 0.96 0.00 8.25 -0.54 -4.86 115.22 117.00 1kzw n HIS 33 Ca -0.08 -2.48 0.02 0.00 -0.26 0.00 0.00 57.72 54.91 1kzw n HIS 33 Cb 0.16 -1.24 0.08 0.00 1.12 0.00 0.00 29.99 30.10 1kzw n HIS 33 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1kzw n ASP 34 N -0.62 1.52 -3.72 0.41 2.03 -1.05 -4.90 116.55 110.23 1kzw n ASP 34 Ca 0.56 -2.12 -0.22 0.00 0.52 0.00 0.00 54.79 53.53 1kzw n ASP 34 Cb 0.33 -0.37 0.03 0.00 -0.72 0.00 0.00 41.12 40.38 1kzw n ASP 34 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kzw n ASN 35 N 0.06 -1.15 -4.66 1.67 3.02 -1.26 -0.45 115.26 112.48 1kzw n ASN 35 Ca 0.05 -0.84 -0.43 0.00 -0.03 0.00 0.00 54.58 53.34 1kzw n ASN 35 Cb 0.32 -3.97 -0.02 0.00 -0.61 0.00 0.00 39.78 35.50 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 -6.69 4.12 -0.21 3.41 2.96 -1.26 -4.28 118.68 116.73 1kzw s LEU 36 Ca 0.01 1.38 -0.04 0.00 -0.22 0.00 0.00 54.13 55.26 1kzw s LEU 36 Cb -0.00 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1kzw s LEU 36 CO 0.82 -0.64 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.42 1kzw s LYS 37 N 3.04 3.39 -0.49 1.98 2.20 -0.02 -1.43 119.74 128.42 1kzw s LYS 37 Ca 0.44 -0.62 -0.14 0.00 -0.36 0.00 0.00 55.97 55.29 1kzw s LYS 37 Cb -0.15 -2.99 0.10 0.00 -1.51 0.00 0.00 37.83 33.28 1kzw s LYS 37 CO 0.07 -0.15 0.41 -0.51 -0.36 0.00 0.00 175.35 174.81 1kzw s LEU 38 N 1.36 5.77 -0.47 5.43 1.43 0.01 -1.55 118.68 130.67 1kzw s LEU 38 Ca 0.04 -1.60 -0.22 0.00 -1.03 0.00 0.00 54.13 51.32 1kzw s LEU 38 Cb -0.14 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 43.97 1kzw s LEU 38 CO -0.02 -0.72 0.75 -0.89 0.23 0.00 0.00 176.35 175.70 1kzw s THR 39 N 1.56 4.69 -0.20 5.49 2.01 -0.99 -1.07 115.64 127.13 1kzw s THR 39 Ca 0.04 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.14 1kzw s THR 39 Cb -0.26 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 1kzw s THR 39 CO 0.04 -0.75 0.11 -0.63 -0.69 0.00 0.00 174.62 172.69 1kzw s ILE 40 N 3.17 5.14 -0.08 1.82 1.01 -0.43 -1.06 121.20 130.76 1kzw s ILE 40 Ca 0.26 0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 1kzw s ILE 40 Cb -0.14 -3.34 0.03 0.00 0.01 0.00 0.00 42.46 39.02 1kzw s ILE 40 CO 0.20 0.43 0.20 0.28 0.00 0.00 0.00 174.94 176.05 1kzw s THR 41 N 0.51 -0.03 -0.29 2.92 -1.32 -0.56 -3.02 115.64 113.85 1kzw s THR 41 Ca 0.06 0.10 -0.11 0.00 -1.21 0.00 0.00 61.69 60.53 1kzw s THR 41 Cb -0.12 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.52 1kzw s THR 41 CO -0.00 0.04 0.20 -1.58 -2.21 0.00 0.00 174.62 171.08 1kzw s GLN 42 N 0.82 3.84 -1.07 7.08 0.74 -1.26 -0.44 119.66 129.36 1kzw s GLN 42 Ca -0.06 -0.39 -0.04 0.00 0.05 0.00 0.00 55.36 54.92 1kzw s GLN 42 Cb -0.07 -3.70 0.30 0.00 1.10 0.00 0.00 33.01 30.64 1kzw s GLN 42 CO -0.05 -0.25 1.42 -1.91 -0.55 0.00 0.00 175.29 173.95 1kzw n GLU 43 N 5.08 4.31 -2.74 1.67 2.13 0.37 -4.89 120.64 126.57 1kzw n GLU 43 Ca -0.14 -4.55 -0.05 0.00 0.66 0.00 0.00 57.16 53.08 1kzw n GLU 43 Cb 0.51 -2.50 0.01 0.00 0.27 0.00 0.00 31.44 29.73 1kzw n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kzw n GLY 44 N 1.44 -1.21 4.39 8.31 0.00 -1.26 -3.61 105.19 113.25 1kzw n GLY 44 Ca 0.26 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.19 1kzw n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kzw n ASN 45 N -0.69 0.00 -4.53 1.61 5.15 -1.26 -4.97 115.26 110.57 1kzw n ASN 45 Ca 0.08 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.63 1kzw n ASN 45 Cb 0.43 -0.10 -0.06 0.00 -0.53 0.00 0.00 39.78 39.52 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 3.34 -0.28 1.20 1.02 -1.24 -1.76 119.74 122.01 1kzw s LYS 46 Ca 0.00 -0.26 -0.26 0.00 0.02 0.00 0.00 55.97 55.47 1kzw s LYS 46 Cb 0.00 -3.96 0.01 0.00 -0.52 0.00 0.00 37.83 33.36 1kzw s LYS 46 CO 0.00 -1.10 0.93 -0.06 -0.92 0.00 0.00 175.35 174.20 1kzw s PHE 47 N 3.10 3.23 -0.51 3.18 0.08 -0.31 -0.48 117.98 126.27 1kzw s PHE 47 Ca 0.26 1.12 -0.24 0.00 0.12 0.00 0.00 56.93 58.18 1kzw s PHE 47 Cb -0.13 -3.34 0.04 0.00 -0.57 0.00 0.00 43.02 39.01 1kzw s PHE 47 CO 0.21 -0.58 0.92 0.99 -0.10 0.00 0.00 175.22 176.65 1kzw s THR 48 N 3.19 4.45 -0.31 0.64 2.01 0.41 -1.51 115.64 124.52 1kzw s THR 48 Ca 0.39 0.43 -0.06 0.00 0.31 0.00 0.00 61.69 62.77 1kzw s THR 48 Cb -0.14 -4.48 0.03 0.00 0.01 0.00 0.00 72.50 67.91 1kzw s THR 48 CO 0.11 -0.98 0.07 -0.69 -0.69 0.00 0.00 174.62 172.43 1kzw s VAL 49 N 3.81 3.70 -0.43 3.82 1.01 -0.26 -1.50 120.40 130.55 1kzw s VAL 49 Ca 0.32 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 1kzw s VAL 49 Cb -0.12 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1kzw s VAL 49 CO 0.22 -0.02 0.82 -0.54 0.00 0.00 0.00 175.10 175.58 1kzw s LYS 50 N 1.42 3.54 -0.94 2.72 1.02 -0.22 -1.05 119.74 126.24 1kzw s LYS 50 Ca 0.00 0.09 -0.18 0.00 0.02 0.00 0.00 55.97 55.90 1kzw s LYS 50 Cb -0.18 -3.90 0.14 0.00 -0.52 0.00 0.00 37.83 33.37 1kzw s LYS 50 CO 0.02 -1.06 1.13 -1.21 -0.92 0.00 0.00 175.35 173.30 1kzw s GLU 51 N 3.35 3.63 -0.45 1.68 8.01 -0.31 -2.34 118.70 132.27 1kzw s GLU 51 Ca 0.32 -1.84 -0.17 0.00 0.01 0.00 0.00 54.97 53.29 1kzw s GLU 51 Cb -0.12 -4.90 0.04 0.00 -4.31 0.00 0.00 34.13 24.84 1kzw s GLU 51 CO 0.22 -1.75 0.45 -1.12 0.01 0.00 0.00 175.26 173.07 1kzw s SER 52 N 3.52 6.18 0.28 -0.19 0.01 -0.59 -2.70 113.70 120.20 1kzw s SER 52 Ca 0.33 -0.93 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 1kzw s SER 52 Cb -0.05 -2.22 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 1kzw s SER 52 CO -0.09 -0.65 0.36 -0.94 0.41 0.00 0.00 173.24 172.32 1kzw s SER 53 N 2.20 0.53 0.52 2.44 1.04 0.34 -0.84 113.70 119.94 1kzw s SER 53 Ca 0.10 -1.35 0.19 0.00 0.48 0.00 0.00 55.95 55.37 1kzw s SER 53 Cb -0.20 0.55 1.29 0.00 0.10 0.00 0.00 66.02 67.77 1kzw s SER 53 CO 0.11 -1.10 2.08 0.00 0.98 0.00 0.00 173.24 175.31 1kzw h ALA 54 N 2.29 2.18 0.04 5.32 0.00 -0.97 -2.80 119.26 125.32 1kzw h ALA 54 Ca -0.29 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.36 1kzw h ALA 54 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1kzw h ALA 54 CO 0.41 -0.24 -1.23 0.74 0.00 0.00 0.00 179.25 178.94 1kzw h PHE 55 N 0.04 0.15 -2.59 0.00 0.04 -1.96 -3.51 116.94 109.12 1kzw h PHE 55 Ca 0.11 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1kzw h PHE 55 Cb 0.40 -0.01 -0.15 0.00 2.20 0.00 0.00 35.95 38.39 1kzw h PHE 55 CO -0.00 1.10 0.17 -0.98 -0.60 0.00 0.00 178.31 178.00 1kzw s ARG 56 N -2.67 1.15 -0.30 1.51 1.70 -1.06 -5.13 118.95 114.14 1kzw s ARG 56 Ca -0.02 -0.16 -0.02 0.00 -0.47 0.00 0.00 55.73 55.07 1kzw s ARG 56 Cb 0.09 0.53 0.10 0.00 -0.57 0.00 0.00 34.95 35.10 1kzw s ARG 56 CO 0.84 -0.44 0.11 1.21 -1.08 0.00 0.00 175.30 175.94 1kzw s ASN 57 N -2.02 3.86 -0.05 -2.89 2.47 -1.25 -0.50 114.94 114.55 1kzw s ASN 57 Ca -0.05 -1.53 0.01 0.00 0.42 0.00 0.00 52.86 51.71 1kzw s ASN 57 Cb -0.01 -0.69 0.02 0.00 -1.45 0.00 0.00 41.25 39.12 1kzw s ASN 57 CO -0.02 -0.42 -0.07 0.27 -3.72 0.00 0.00 177.10 173.13 1kzw s ILE 58 N 1.76 0.76 -0.46 -5.21 -4.36 -1.10 -4.98 121.20 107.62 1kzw s ILE 58 Ca 0.10 -0.26 -0.24 0.00 -0.26 0.00 0.00 60.65 59.99 1kzw s ILE 58 Cb -0.17 -0.74 0.03 0.00 1.25 0.00 0.00 42.46 42.83 1kzw s ILE 58 CO -0.29 0.27 0.85 -1.83 0.24 0.00 0.00 174.94 174.18 1kzw s GLU 59 N 0.82 3.44 -0.44 0.37 1.03 -1.26 -1.17 118.70 121.50 1kzw s GLU 59 Ca -0.12 -0.03 -0.15 0.00 0.03 0.00 0.00 54.97 54.70 1kzw s GLU 59 Cb -0.15 -3.94 0.04 0.00 -0.80 0.00 0.00 34.13 29.28 1kzw s GLU 59 CO 0.01 -1.19 0.34 0.08 -1.33 0.00 0.00 175.26 173.17 1kzw s VAL 60 N 3.50 5.18 -0.44 1.83 1.01 -0.21 -4.90 120.40 126.37 1kzw s VAL 60 Ca 0.32 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 1kzw s VAL 60 Cb -0.11 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1kzw s VAL 60 CO 0.24 -0.43 0.62 -0.69 0.00 0.00 0.00 175.10 174.84 1kzw s VAL 61 N 1.65 4.86 -0.11 2.92 1.01 -1.26 -1.10 120.40 128.37 1kzw s VAL 61 Ca 0.04 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1kzw s VAL 61 Cb -0.21 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1kzw s VAL 61 CO 0.08 -0.58 -0.23 0.72 0.00 0.00 0.00 175.10 175.09 1kzw s PHE 62 N 2.75 2.55 0.01 5.22 -0.12 -0.57 -4.98 117.98 122.84 1kzw s PHE 62 Ca 0.21 -1.09 -0.29 0.00 -0.05 0.00 0.00 56.93 55.71 1kzw s PHE 62 Cb -0.14 -1.71 -0.04 0.00 -0.63 0.00 0.00 43.02 40.50 1kzw s PHE 62 CO 0.18 -0.45 0.95 -2.00 -0.05 0.00 0.00 175.22 173.85 1kzw s GLU 63 N 0.44 4.57 0.09 1.99 2.12 -1.26 -1.16 118.70 125.49 1kzw s GLU 63 Ca -0.17 1.37 -0.31 0.00 0.36 0.00 0.00 54.97 56.23 1kzw s GLU 63 Cb -0.17 -3.44 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 1kzw s GLU 63 CO 0.07 0.01 1.81 -0.51 -0.54 0.00 0.00 175.26 176.10 1kzw s LEU 64 N 0.80 4.40 0.00 2.70 1.43 -0.72 -1.80 118.68 125.48 1kzw s LEU 64 Ca 0.50 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 56.28 1kzw s LEU 64 Cb -0.21 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1kzw s LEU 64 CO 0.27 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.48 1kzw n GLY 65 N 4.23 2.73 3.76 -3.19 0.00 -0.73 -5.02 105.19 106.98 1kzw n GLY 65 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1kzw n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kzw s VAL 66 N -2.36 4.94 -0.28 1.61 1.01 -0.75 -4.91 120.40 119.66 1kzw s VAL 66 Ca 0.00 1.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 1kzw s VAL 66 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1kzw s VAL 66 CO 0.00 0.42 1.23 0.28 0.00 0.00 0.00 175.10 177.03 1kzw s THR 67 N -0.19 4.27 0.10 3.92 -1.32 -1.26 -4.35 115.64 116.81 1kzw s THR 67 Ca 0.30 1.47 0.02 0.00 -1.21 0.00 0.00 61.69 62.27 1kzw s THR 67 Cb -0.18 -4.20 -0.04 0.00 -1.51 0.00 0.00 72.50 66.58 1kzw s THR 67 CO 0.16 -0.40 -0.07 0.72 -2.21 0.00 0.00 174.62 172.82 1kzw s PHE 68 N 4.00 0.89 -0.74 9.09 -0.71 -0.51 -4.79 117.98 125.21 1kzw s PHE 68 Ca 0.53 -0.88 -0.17 0.00 -1.04 0.00 0.00 56.93 55.37 1kzw s PHE 68 Cb -0.16 -0.51 0.15 0.00 -1.21 0.00 0.00 43.02 41.29 1kzw s PHE 68 CO 0.19 -0.14 0.80 1.21 -1.34 0.00 0.00 175.22 175.94 1kzw s ASN 69 N -2.93 6.49 0.18 1.98 2.47 -1.26 -1.65 114.94 120.22 1kzw s ASN 69 Ca 0.10 -2.05 -0.15 0.00 0.42 0.00 0.00 52.86 51.18 1kzw s ASN 69 Cb 0.04 -2.28 -0.07 0.00 -1.45 0.00 0.00 41.25 37.49 1kzw s ASN 69 CO -0.04 -0.88 0.59 -0.47 -3.72 0.00 0.00 177.10 172.57 1kzw s TYR 70 N 1.67 3.58 -0.09 0.43 5.04 0.35 -4.81 117.35 123.51 1kzw s TYR 70 Ca 0.17 1.10 0.01 0.00 -2.44 0.00 0.00 57.07 55.91 1kzw s TYR 70 Cb -0.16 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 39.77 1kzw s TYR 70 CO -0.03 0.38 -0.11 -0.80 -1.34 0.00 0.00 175.55 173.64 1kzw s ASN 71 N -1.82 2.02 -1.18 4.32 0.01 -1.26 -1.00 114.94 116.04 1kzw s ASN 71 Ca 0.41 -0.32 -0.09 0.00 -0.71 0.00 0.00 52.86 52.15 1kzw s ASN 71 Cb -0.15 -0.88 0.23 0.00 0.41 0.00 0.00 41.25 40.87 1kzw s ASN 71 CO 0.20 -0.02 1.52 0.18 -1.51 0.00 0.00 177.10 177.47 1kzw n LEU 72 N 4.24 6.07 0.00 0.60 4.77 -1.24 -4.86 117.00 126.58 1kzw n LEU 72 Ca -0.19 -4.85 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 1kzw n LEU 72 Cb 0.51 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1kzw n LEU 72 CO 0.22 1.33 0.00 0.00 -1.33 0.00 0.00 177.39 177.62 1kzw n ALA 73 N 3.25 0.00 0.31 -1.18 0.00 -1.26 -4.40 120.51 117.23 1kzw n ALA 73 Ca 0.32 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.92 1kzw n ALA 73 Cb 0.37 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.54 1kzw n ALA 73 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1kzw h ASP 74 N 0.00 0.00 0.00 0.00 3.04 -1.90 -3.47 116.42 114.09 1kzw h ASP 74 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1kzw h ASP 74 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1kzw h ASP 74 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1kzw n GLY 75 N -0.27 1.86 3.53 7.15 0.00 -1.26 -5.08 105.19 111.13 1kzw n GLY 75 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.85 -0.70 2.61 2.01 -1.26 -4.92 115.64 115.23 1kzw s THR 76 Ca 0.00 0.16 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 1kzw s THR 76 Cb 0.00 -4.89 0.06 0.00 0.01 0.00 0.00 72.50 67.68 1kzw s THR 76 CO 0.00 -1.80 1.07 -1.61 -0.69 0.00 0.00 174.62 171.59 1kzw s GLU 77 N 5.36 3.16 -0.28 4.92 2.02 -1.26 -3.70 118.70 128.93 1kzw s GLU 77 Ca 0.34 -0.71 -0.04 0.00 0.02 0.00 0.00 54.97 54.58 1kzw s GLU 77 Cb -0.09 -4.27 0.03 0.00 0.10 0.00 0.00 34.13 29.90 1kzw s GLU 77 CO 0.12 -1.92 0.00 -0.51 0.02 0.00 0.00 175.26 172.98 1kzw s LEU 78 N 4.50 3.59 -0.24 1.80 1.43 -0.17 -1.35 118.68 128.24 1kzw s LEU 78 Ca 0.27 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 52.33 1kzw s LEU 78 Cb -0.14 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1kzw s LEU 78 CO 0.10 -0.18 0.29 -0.60 0.23 0.00 0.00 176.35 176.19 1kzw s ARG 79 N 1.37 4.08 0.00 1.70 3.52 -0.22 -0.50 118.95 128.90 1kzw s ARG 79 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1kzw s ARG 79 Cb -0.17 -3.58 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 1kzw s ARG 79 CO -0.01 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 1kzw n GLY 80 N 4.33 -1.01 3.41 8.12 0.00 -0.66 -1.54 105.19 117.84 1kzw n GLY 80 Ca -0.11 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 1kzw n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kzw s THR 81 N -2.00 3.02 -0.26 2.61 -4.23 -0.54 -1.42 115.64 112.81 1kzw s THR 81 Ca 0.00 -0.70 -0.20 0.00 -1.18 0.00 0.00 61.69 59.61 1kzw s THR 81 Cb 0.00 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.59 1kzw s THR 81 CO 0.00 0.55 0.63 0.26 -0.54 0.00 0.00 174.62 175.52 1kzw s TRP 82 N -0.09 3.27 -0.15 3.99 0.52 -1.26 -0.90 118.94 124.32 1kzw s TRP 82 Ca -0.02 0.77 0.01 0.00 0.02 0.00 0.00 56.10 56.88 1kzw s TRP 82 Cb -0.14 -2.86 0.00 0.00 -1.15 0.00 0.00 33.47 29.32 1kzw s TRP 82 CO 0.04 -0.35 -0.17 -1.12 0.02 0.00 0.00 176.95 175.37 1kzw s SER 83 N 1.50 3.53 -0.62 2.95 0.01 -0.46 -1.77 113.70 118.84 1kzw s SER 83 Ca 0.26 -0.50 -0.21 0.00 1.31 0.00 0.00 55.95 56.82 1kzw s SER 83 Cb -0.15 -1.53 0.09 0.00 0.21 0.00 0.00 66.02 64.63 1kzw s SER 83 CO 0.09 0.09 0.83 -0.22 0.41 0.00 0.00 173.24 174.44 1kzw s LEU 84 N 0.78 4.89 -1.12 2.44 2.96 -1.26 -1.62 118.68 125.75 1kzw s LEU 84 Ca -0.06 -1.20 -0.05 0.00 -0.22 0.00 0.00 54.13 52.60 1kzw s LEU 84 Cb -0.15 -2.37 0.28 0.00 0.50 0.00 0.00 46.19 44.45 1kzw s LEU 84 CO 0.00 -1.27 1.62 1.21 -1.32 0.00 0.00 176.35 176.59 1kzw n GLU 85 N 6.99 4.44 -2.51 1.98 0.00 0.18 -4.81 120.64 126.92 1kzw n GLU 85 Ca -0.07 -4.36 -0.01 0.00 0.00 0.00 0.00 57.16 52.73 1kzw n GLU 85 Cb 0.44 -2.58 0.00 0.00 0.00 0.00 0.00 31.44 29.30 1kzw n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1kzw n GLY 86 N 1.45 -0.86 2.42 8.31 0.00 -1.26 -3.89 105.19 111.35 1kzw n GLY 86 Ca 0.31 0.23 -0.20 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.58 -5.79 -3.67 1.61 5.15 -1.26 -5.02 115.26 104.71 1kzw n ASN 87 Ca -0.00 0.04 -0.26 0.00 -0.60 0.00 0.00 54.58 53.76 1kzw n ASN 87 Cb 0.51 -4.85 -0.17 0.00 -0.53 0.00 0.00 39.78 34.74 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 -4.93 0.27 -0.50 1.20 -0.14 -1.25 -4.69 119.74 109.69 1kzw s LYS 88 Ca 0.00 -0.13 -0.18 0.00 -1.36 0.00 0.00 55.97 54.30 1kzw s LYS 88 Cb 0.00 -1.73 0.06 0.00 -1.68 0.00 0.00 37.83 34.48 1kzw s LYS 88 CO 0.00 -0.60 0.58 -0.51 -0.76 0.00 0.00 175.35 174.06 1kzw s LEU 89 N 2.04 5.13 -0.25 3.17 1.43 -0.86 -0.64 118.68 128.70 1kzw s LEU 89 Ca 0.02 -1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 51.93 1kzw s LEU 89 Cb -0.16 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1kzw s LEU 89 CO -0.08 -0.85 0.39 -0.51 0.23 0.00 0.00 176.35 175.53 1kzw s ILE 90 N 2.43 5.17 -0.57 -0.59 2.07 -0.64 -1.55 121.20 127.52 1kzw s ILE 90 Ca 0.13 0.64 -0.19 0.00 -1.41 0.00 0.00 60.65 59.81 1kzw s ILE 90 Cb -0.21 -3.72 0.08 0.00 0.13 0.00 0.00 42.46 38.75 1kzw s ILE 90 CO 0.10 0.17 0.71 -0.83 -1.91 0.00 0.00 174.94 173.18 1kzw s GLY 91 N 1.50 1.73 -0.72 1.50 0.00 0.50 -1.36 107.32 110.46 1kzw s GLY 91 Ca 0.17 -2.01 -0.19 0.00 0.00 0.00 0.00 44.72 42.68 1kzw s GLY 91 CO 0.09 1.60 0.90 1.25 0.00 0.00 0.00 173.10 176.94 1kzw s LYS 92 N 2.82 3.26 0.12 2.90 2.47 -0.08 -1.58 119.74 129.65 1kzw s LYS 92 Ca 0.14 -1.40 0.10 0.00 -1.56 0.00 0.00 55.97 53.25 1kzw s LYS 92 Cb -0.22 -4.45 -0.04 0.00 -1.46 0.00 0.00 37.83 31.67 1kzw s LYS 92 CO 0.09 -1.67 -0.25 -0.06 0.16 0.00 0.00 175.35 173.62 1kzw s PHE 93 N 2.88 2.18 -0.02 4.03 0.08 -0.49 -1.47 117.98 125.16 1kzw s PHE 93 Ca 0.21 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.94 1kzw s PHE 93 Cb -0.16 -1.19 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1kzw s PHE 93 CO 0.02 0.29 -0.24 0.21 -0.10 0.00 0.00 175.22 175.40 1kzw s LYS 94 N -1.94 1.96 -0.10 0.44 2.20 -0.59 -0.31 119.74 121.40 1kzw s LYS 94 Ca 0.12 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.59 1kzw s LYS 94 Cb -0.10 -1.87 -0.06 0.00 -1.51 0.00 0.00 37.83 34.29 1kzw s LYS 94 CO 0.05 0.49 2.00 1.03 -0.36 0.00 0.00 175.35 178.56 1kzw s ARG 95 N -0.51 3.73 0.07 4.03 1.81 0.25 -1.06 118.95 127.27 1kzw s ARG 95 Ca 0.08 2.25 -0.32 0.00 -1.72 0.00 0.00 55.73 56.02 1kzw s ARG 95 Cb -0.09 -4.22 -0.18 0.00 -0.45 0.00 0.00 34.95 30.01 1kzw s ARG 95 CO -0.01 -1.42 1.62 1.79 -0.68 0.00 0.00 175.30 176.61 1kzw h THR 96 N 6.25 0.41 -0.38 0.02 1.35 -1.56 0.29 112.91 119.28 1kzw h THR 96 Ca -0.44 -0.02 -0.50 0.00 -0.55 0.00 0.00 66.41 64.91 1kzw h THR 96 Cb 1.22 0.41 -0.06 0.00 -1.73 0.00 0.00 68.15 67.99 1kzw h THR 96 CO 0.96 0.00 1.63 0.47 -0.25 0.00 0.00 175.52 178.33 1kzw n ASP 97 N -5.43 7.10 0.00 5.36 8.00 -1.26 -4.10 116.55 126.21 1kzw n ASP 97 Ca -0.13 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 52.62 1kzw n ASP 97 Cb 0.33 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 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 2.44 0.00 -0.36 -2.24 5.15 -1.20 -5.03 115.26 114.03 1kzw n ASN 98 Ca 0.59 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 54.53 1kzw n ASN 98 Cb 0.51 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.75 1kzw n ASN 98 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kzw n GLY 99 N -0.47 0.65 3.37 8.20 0.00 0.09 -5.03 105.19 112.00 1kzw n GLY 99 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.94 3.28 0.08 1.61 0.01 -1.25 -4.88 114.94 110.85 1kzw s ASN 100 Ca 0.00 -0.62 -0.25 0.00 -0.71 0.00 0.00 52.86 51.28 1kzw s ASN 100 Cb 0.00 -0.30 -0.06 0.00 0.41 0.00 0.00 41.25 41.30 1kzw s ASN 100 CO 0.00 0.24 0.78 -1.83 -1.51 0.00 0.00 177.10 174.78 1kzw s GLU 101 N -1.49 4.53 -0.08 -0.60 1.03 -1.26 -0.58 118.70 120.25 1kzw s GLU 101 Ca 0.13 1.12 0.03 0.00 0.03 0.00 0.00 54.97 56.28 1kzw s GLU 101 Cb -0.10 -3.34 0.00 0.00 -0.80 0.00 0.00 34.13 29.90 1kzw s GLU 101 CO 0.03 0.35 -0.19 -1.17 -1.33 0.00 0.00 175.26 172.96 1kzw s LEU 102 N -0.34 1.91 -0.26 1.83 0.20 0.58 -2.36 118.68 120.24 1kzw s LEU 102 Ca 0.38 -0.44 -0.04 0.00 0.69 0.00 0.00 54.13 54.72 1kzw s LEU 102 Cb -0.21 -1.15 0.01 0.00 -0.43 0.00 0.00 46.19 44.41 1kzw s LEU 102 CO 0.24 0.12 -0.00 0.20 -0.29 0.00 0.00 176.35 176.61 1kzw s ASN 103 N 0.40 4.61 -0.42 3.68 0.01 -0.16 -1.39 114.94 121.68 1kzw s ASN 103 Ca -0.15 -0.70 -0.06 0.00 -0.71 0.00 0.00 52.86 51.23 1kzw s ASN 103 Cb -0.16 -1.76 0.09 0.00 0.41 0.00 0.00 41.25 39.83 1kzw s ASN 103 CO 0.06 -0.13 0.24 -0.89 -1.51 0.00 0.00 177.10 174.87 1kzw s THR 104 N 1.42 3.81 -0.76 1.60 2.01 -0.61 -0.47 115.64 122.64 1kzw s THR 104 Ca 0.02 -1.69 -0.12 0.00 0.31 0.00 0.00 61.69 60.21 1kzw s THR 104 Cb -0.16 -3.45 0.20 0.00 0.01 0.00 0.00 72.50 69.10 1kzw s THR 104 CO -0.02 -0.59 0.68 -0.69 -0.69 0.00 0.00 174.62 173.31 1kzw s VAL 105 N 1.30 5.19 -0.14 3.82 1.01 -0.13 -0.37 120.40 131.09 1kzw s VAL 105 Ca 0.05 -2.50 -0.08 0.00 0.00 0.00 0.00 61.98 59.44 1kzw s VAL 105 Cb -0.23 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1kzw s VAL 105 CO -0.01 -0.99 0.15 0.00 0.00 0.00 0.00 175.10 174.26 1kzw s ARG 106 N 0.22 3.67 0.03 2.72 1.70 -0.59 -2.43 118.95 124.28 1kzw s ARG 106 Ca 0.17 -0.12 -0.25 0.00 -0.47 0.00 0.00 55.73 55.06 1kzw s ARG 106 Cb -0.14 -3.26 0.06 0.00 -0.57 0.00 0.00 34.95 31.05 1kzw s ARG 106 CO -0.07 0.64 0.58 -1.83 -1.08 0.00 0.00 175.30 173.54 1kzw s GLU 107 N -0.64 1.07 -0.45 3.89 1.03 -1.21 -2.03 118.70 120.36 1kzw s GLU 107 Ca 0.14 -0.12 -0.19 0.00 0.03 0.00 0.00 54.97 54.82 1kzw s GLU 107 Cb -0.12 0.50 0.03 0.00 -0.80 0.00 0.00 34.13 33.74 1kzw s GLU 107 CO 0.03 -0.39 0.59 0.42 -1.33 0.00 0.00 175.26 174.58 1kzw s ILE 108 N -2.25 4.90 -1.32 1.83 -1.09 -1.26 -1.77 121.20 120.25 1kzw s ILE 108 Ca -0.06 -0.17 -0.12 0.00 -2.23 0.00 0.00 60.65 58.07 1kzw s ILE 108 Cb -0.01 -4.19 0.13 0.00 -1.58 0.00 0.00 42.46 36.81 1kzw s ILE 108 CO 0.00 -0.62 1.92 0.00 -1.23 0.00 0.00 174.94 175.01 1kzw n ILE 109 N 5.69 4.07 0.00 2.92 3.06 -0.08 -4.86 119.36 130.15 1kzw n ILE 109 Ca -0.04 -4.04 0.00 0.00 -2.50 0.00 0.00 62.75 56.17 1kzw n ILE 109 Cb 0.47 -2.44 0.00 0.00 0.54 0.00 0.00 39.64 38.21 1kzw n ILE 109 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1kzw n GLY 110 N 3.45 1.98 2.44 4.50 0.00 -1.26 -3.64 105.19 112.66 1kzw n GLY 110 Ca 0.43 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.33 1kzw n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1kzw n ASP 111 N 4.87 2.36 -3.60 1.61 -0.08 -1.26 -4.99 116.55 115.47 1kzw n ASP 111 Ca 0.00 -3.22 -0.03 0.00 -1.51 0.00 0.00 54.79 50.04 1kzw n ASP 111 Cb 0.00 -0.62 -0.05 0.00 2.34 0.00 0.00 41.12 42.78 1kzw n ASP 111 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1kzw s GLU 112 N -2.40 0.51 -0.64 -0.67 2.02 -1.24 -4.40 118.70 111.87 1kzw s GLU 112 Ca 0.41 1.05 -0.26 0.00 0.02 0.00 0.00 54.97 56.19 1kzw s GLU 112 Cb 0.24 0.38 0.04 0.00 0.10 0.00 0.00 34.13 34.88 1kzw s GLU 112 CO -0.08 -0.14 1.11 -1.17 0.02 0.00 0.00 175.26 175.00 1kzw s LEU 113 N 2.06 3.71 -0.67 1.80 2.96 -0.17 -0.90 118.68 127.47 1kzw s LEU 113 Ca -0.07 -0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 53.23 1kzw s LEU 113 Cb -0.07 -2.73 0.10 0.00 0.50 0.00 0.00 46.19 43.99 1kzw s LEU 113 CO -0.18 -1.53 0.86 0.68 -1.32 0.00 0.00 176.35 174.86 1kzw s VAL 114 N 4.78 4.64 -0.71 1.68 -7.23 -0.73 -1.20 120.40 121.63 1kzw s VAL 114 Ca 0.33 -0.87 -0.17 0.00 -1.81 0.00 0.00 61.98 59.46 1kzw s VAL 114 Cb -0.11 -4.60 0.15 0.00 0.56 0.00 0.00 36.38 32.38 1kzw s VAL 114 CO 0.17 -1.30 0.77 -1.58 -0.31 0.00 0.00 175.10 172.85 1kzw s GLN 115 N 3.14 3.30 -0.59 4.82 0.74 -0.49 -3.34 119.66 127.24 1kzw s GLN 115 Ca 0.18 -1.80 -0.22 0.00 0.05 0.00 0.00 55.36 53.58 1kzw s GLN 115 Cb -0.19 -4.43 0.06 0.00 1.10 0.00 0.00 33.01 29.56 1kzw s GLN 115 CO 0.05 -1.48 0.86 0.99 -0.55 0.00 0.00 175.29 175.17 1kzw s THR 116 N 1.77 4.51 -0.26 -0.34 2.01 -1.02 -1.77 115.64 120.54 1kzw s THR 116 Ca 0.16 -0.29 -0.20 0.00 0.31 0.00 0.00 61.69 61.67 1kzw s THR 116 Cb -0.17 -4.55 -0.02 0.00 0.01 0.00 0.00 72.50 67.77 1kzw s THR 116 CO -0.02 -1.20 0.61 -0.31 -0.69 0.00 0.00 174.62 173.01 1kzw s TYR 117 N 3.59 3.27 -0.30 4.92 1.51 0.26 -0.96 117.35 129.64 1kzw s TYR 117 Ca 0.22 0.76 0.03 0.00 -1.01 0.00 0.00 57.07 57.07 1kzw s TYR 117 Cb -0.17 -2.83 0.08 0.00 -0.11 0.00 0.00 41.96 38.93 1kzw s TYR 117 CO 0.12 -0.33 -0.02 0.08 -1.11 0.00 0.00 175.55 174.29 1kzw s VAL 118 N 2.48 2.21 -0.23 0.71 1.01 0.38 -1.01 120.40 125.94 1kzw s VAL 118 Ca 0.25 -2.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.19 1kzw s VAL 118 Cb -0.15 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1kzw s VAL 118 CO 0.09 -0.34 -0.05 -0.47 0.00 0.00 0.00 175.10 174.32 1kzw s TYR 119 N 1.00 2.98 0.00 5.22 5.04 -1.10 -0.98 117.35 129.52 1kzw s TYR 119 Ca 0.02 -1.19 0.00 0.00 -2.44 0.00 0.00 57.07 53.46 1kzw s TYR 119 Cb -0.19 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 40.03 1kzw s TYR 119 CO -0.07 -0.63 0.00 0.39 -1.34 0.00 0.00 175.55 173.90 1kzw n GLU 120 N 4.75 0.00 -2.89 4.97 1.02 -0.99 -2.16 120.64 125.34 1kzw n GLU 120 Ca -0.18 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.84 1kzw n GLU 120 Cb 0.49 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.96 1kzw n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kzw n GLY 121 N 0.00 1.82 2.77 0.62 0.00 -1.26 -5.07 105.19 104.07 1kzw n GLY 121 Ca 0.00 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.96 0.60 -0.18 1.61 0.11 -0.92 -5.14 120.40 115.52 1kzw s VAL 122 Ca 0.29 -0.44 -0.20 0.00 -2.93 0.00 0.00 61.98 58.69 1kzw s VAL 122 Cb 0.34 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1kzw s VAL 122 CO -0.06 -0.06 0.60 -0.70 -3.33 0.00 0.00 175.10 171.55 1kzw s GLU 123 N 1.84 4.23 -0.03 1.54 -6.30 -1.26 -2.69 118.70 116.03 1kzw s GLU 123 Ca 0.00 0.59 -0.01 0.00 -2.50 0.00 0.00 54.97 53.05 1kzw s GLU 123 Cb -0.16 -3.56 0.03 0.00 0.00 0.00 0.00 34.13 30.45 1kzw s GLU 123 CO -0.07 -0.17 0.05 0.00 0.02 0.00 0.00 175.26 175.08 1kzw s ALA 124 N 1.69 0.10 -0.26 6.30 0.00 -0.18 -4.79 121.76 124.62 1kzw s ALA 124 Ca 0.28 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.42 1kzw s ALA 124 Cb -0.16 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1kzw s ALA 124 CO 0.11 -0.22 0.24 0.15 0.00 0.00 0.00 175.76 176.03 1kzw s LYS 125 N 1.40 4.01 -0.53 0.00 1.02 -0.87 -0.58 119.74 124.19 1kzw s LYS 125 Ca -0.05 -0.19 -0.25 0.00 0.02 0.00 0.00 55.97 55.50 1kzw s LYS 125 Cb -0.13 -3.62 0.04 0.00 -0.52 0.00 0.00 37.83 33.60 1kzw s LYS 125 CO -0.03 -0.13 0.95 1.03 -0.92 0.00 0.00 175.35 176.25 1kzw s ARG 126 N 1.61 3.39 -0.34 1.68 0.52 -0.73 -0.39 118.95 124.69 1kzw s ARG 126 Ca 0.10 -0.13 -0.16 0.00 -0.52 0.00 0.00 55.73 55.02 1kzw s ARG 126 Cb -0.15 -4.02 -0.01 0.00 0.52 0.00 0.00 34.95 31.29 1kzw s ARG 126 CO 0.09 -1.42 0.39 0.42 0.02 0.00 0.00 175.30 174.79 1kzw s ILE 127 N 3.94 5.14 -0.11 1.52 1.01 -1.24 -1.39 121.20 130.06 1kzw s ILE 127 Ca 0.33 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 1kzw s ILE 127 Cb -0.12 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1kzw s ILE 127 CO 0.21 -0.11 -0.08 -0.36 0.00 0.00 0.00 174.94 174.60 1kzw s PHE 128 N 2.08 2.91 0.10 3.97 0.40 -0.34 -0.77 117.98 126.32 1kzw s PHE 128 Ca 0.13 -0.27 -0.08 0.00 -0.60 0.00 0.00 56.93 56.11 1kzw s PHE 128 Cb -0.16 -1.82 -0.06 0.00 0.51 0.00 0.00 43.02 41.49 1kzw s PHE 128 CO 0.12 0.06 0.39 0.21 0.70 0.00 0.00 175.22 176.70 1kzw s LYS 129 N -0.12 3.70 -0.23 0.44 2.47 0.38 -1.00 119.74 125.38 1kzw s LYS 129 Ca 0.01 0.07 -0.29 0.00 -1.56 0.00 0.00 55.97 54.20 1kzw s LYS 129 Cb -0.13 -2.93 -0.02 0.00 -1.46 0.00 0.00 37.83 33.29 1kzw s LYS 129 CO 0.03 0.52 1.44 0.21 0.16 0.00 0.00 175.35 177.71 1kzw s LYS 130 N -2.21 3.94 0.00 4.03 2.20 -1.26 -1.09 119.74 125.34 1kzw s LYS 130 Ca 0.36 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.50 1kzw s LYS 130 Cb -0.13 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 1kzw s LYS 130 CO 0.20 -1.10 0.00 -3.47 -0.36 0.00 0.00 175.35 170.62