#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zsw s LYS 3 N 0.00 2.06 0.07 3.69 1.02 0.92 -4.94 119.74 122.56 2zsw s LYS 3 Ca 0.00 -0.53 -0.31 0.00 0.02 0.00 0.00 55.97 55.15 2zsw s LYS 3 Cb 0.00 -1.65 -0.07 0.00 -0.52 0.00 0.00 37.83 35.59 2zsw s LYS 3 CO 0.00 0.06 1.32 0.95 -0.92 0.00 0.00 175.35 176.75 2zsw s THR 4 N 0.61 3.67 0.29 2.17 -4.23 -1.26 -1.93 115.64 114.96 2zsw s THR 4 Ca -0.15 1.17 -0.29 0.00 -1.18 0.00 0.00 61.69 61.24 2zsw s THR 4 Cb -0.16 -3.75 -0.10 0.00 1.34 0.00 0.00 72.50 69.83 2zsw s THR 4 CO 0.05 0.07 1.16 -2.16 -0.54 0.00 0.00 174.62 173.20 2zsw s PRO 5 N 1.36 4.55 0.01 3.99 0.05 -1.26 -4.52 135.00 139.17 2zsw s PRO 5 Ca 0.62 1.92 -0.16 0.00 0.05 0.00 0.00 61.00 63.43 2zsw s PRO 5 Cb -0.33 -3.16 -0.06 0.00 0.05 0.00 0.00 34.50 31.00 2zsw s PRO 5 CO 0.29 0.09 0.46 -0.65 0.05 0.00 0.00 177.00 177.24 2zsw s GLN 6 N -1.47 4.05 -0.04 4.56 -1.52 0.51 -4.91 119.66 120.84 2zsw s GLN 6 Ca 0.46 0.51 0.07 0.00 -1.95 0.00 0.00 55.36 54.45 2zsw s GLN 6 Cb -0.34 -3.25 -0.02 0.00 -0.22 0.00 0.00 33.01 29.18 2zsw s GLN 6 CO 0.44 0.61 -0.24 0.42 -0.25 0.00 0.00 175.29 176.28 2zsw s ILE 7 N -0.88 2.24 -0.06 1.08 1.01 -1.26 -1.14 121.20 122.20 2zsw s ILE 7 Ca 0.25 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.90 2zsw s ILE 7 Cb -0.17 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.51 2zsw s ILE 7 CO 0.15 0.58 -0.08 -1.10 0.00 0.00 0.00 174.94 174.48 2zsw s GLN 8 N -0.49 1.25 -0.19 2.79 -0.21 0.04 -4.97 119.66 117.87 2zsw s GLN 8 Ca 0.06 -0.25 -0.01 0.00 0.02 0.00 0.00 55.36 55.18 2zsw s GLN 8 Cb -0.11 -1.12 0.01 0.00 1.00 0.00 0.00 33.01 32.79 2zsw s GLN 8 CO 0.01 -0.04 -0.13 0.08 -2.12 0.00 0.00 175.29 173.09 2zsw s VAL 9 N 0.82 2.70 0.15 1.09 1.01 -1.26 -0.73 120.40 124.18 2zsw s VAL 9 Ca -0.12 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 2zsw s VAL 9 Cb -0.15 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.11 2zsw s VAL 9 CO 0.02 0.49 0.55 -0.72 0.00 0.00 0.00 175.10 175.43 2zsw s TYR 10 N 1.30 -0.45 0.49 5.22 1.13 -0.35 -4.54 117.35 120.15 2zsw s TYR 10 Ca 0.04 0.22 -0.03 0.00 -1.41 0.00 0.00 57.07 55.90 2zsw s TYR 10 Cb -0.14 0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 41.19 2zsw s TYR 10 CO -0.07 -0.81 0.76 -1.54 -2.51 0.00 0.00 175.55 171.38 2zsw s SER 11 N -2.75 5.87 0.05 -0.18 1.04 -1.26 0.14 113.70 116.61 2zsw s SER 11 Ca 0.01 0.55 -0.15 0.00 0.48 0.00 0.00 55.95 56.85 2zsw s SER 11 Cb -0.00 -1.76 -0.31 0.00 0.10 0.00 0.00 66.02 64.05 2zsw s SER 11 CO -0.13 -0.77 1.08 -0.09 0.98 0.00 0.00 173.24 174.32 2zsw h ARG 12 N 0.21 0.61 -6.20 4.02 2.43 -1.33 -3.46 114.38 110.66 2zsw h ARG 12 Ca -0.46 -0.86 -0.60 0.00 -0.81 0.00 0.00 59.98 57.25 2zsw h ARG 12 Cb 1.24 0.29 -0.13 0.00 -0.42 0.00 0.00 29.97 30.96 2zsw h ARG 12 CO 0.59 1.40 -0.73 -1.01 -1.51 0.00 0.00 179.97 178.71 2zsw s HIS 13 N -2.90 2.38 0.20 2.20 3.76 -1.26 -5.04 115.29 114.63 2zsw s HIS 13 Ca -0.09 -0.31 -0.33 0.00 -0.15 0.00 0.00 55.06 54.18 2zsw s HIS 13 Cb 0.05 -1.04 -0.13 0.00 1.11 0.00 0.00 32.58 32.57 2zsw s HIS 13 CO 0.94 0.70 1.54 -2.30 -0.85 0.00 0.00 174.74 174.76 2zsw n PRO 14 N -0.68 2.21 -2.01 8.40 -0.02 -1.26 -4.88 135.00 136.76 2zsw n PRO 14 Ca -0.05 0.79 -0.39 0.00 -2.02 0.00 0.00 63.50 61.83 2zsw n PRO 14 Cb 0.60 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2zsw n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2zsw s PRO 15 N 0.42 3.88 -0.15 0.52 0.04 -1.26 -5.03 135.00 133.43 2zsw s PRO 15 Ca 0.74 2.19 -0.04 0.00 0.04 0.00 0.00 61.00 63.93 2zsw s PRO 15 Cb -0.64 -2.71 0.07 0.00 0.04 0.00 0.00 34.50 31.26 2zsw s PRO 15 CO 0.42 -0.58 0.20 -1.21 0.04 0.00 0.00 177.00 175.86 2zsw s GLU 16 N -2.32 0.12 0.07 4.56 2.02 -1.26 -5.12 118.70 116.76 2zsw s GLU 16 Ca 0.58 0.40 -0.36 0.00 0.02 0.00 0.00 54.97 55.61 2zsw s GLU 16 Cb -0.39 -0.73 -0.16 0.00 0.10 0.00 0.00 34.13 32.96 2zsw s GLU 16 CO 0.50 -0.47 1.45 0.09 0.02 0.00 0.00 175.26 176.85 2zsw n ASN 17 N 5.32 2.14 0.00 -0.19 3.02 -1.26 -1.09 115.26 123.20 2zsw n ASN 17 Ca -0.05 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 2zsw n ASN 17 Cb 0.50 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 2zsw n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zsw n GLY 18 N 2.94 2.59 3.74 7.41 0.00 -0.40 -5.01 105.19 116.47 2zsw n GLY 18 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2zsw n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zsw s LYS 19 N -0.53 4.17 0.57 1.61 3.01 -0.25 -4.94 119.74 123.37 2zsw s LYS 19 Ca 0.00 -0.06 -0.20 0.00 -1.01 0.00 0.00 55.97 54.71 2zsw s LYS 19 Cb 0.00 -3.40 -0.04 0.00 -1.01 0.00 0.00 37.83 33.37 2zsw s LYS 19 CO 0.00 0.31 1.24 -1.25 0.51 0.00 0.00 175.35 176.16 2zsw s PRO 20 N 0.29 3.08 0.00 -1.68 0.04 -1.26 -4.07 135.00 131.40 2zsw s PRO 20 Ca 0.13 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2zsw s PRO 20 Cb -0.12 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2zsw s PRO 20 CO 0.01 -1.15 0.00 -1.71 0.04 0.00 0.00 177.00 174.20 2zsw n ASN 21 N -1.35 0.00 -3.77 6.66 2.85 -0.10 -5.00 115.26 114.55 2zsw n ASN 21 Ca 0.12 -0.37 -0.14 0.00 -0.11 0.00 0.00 54.58 54.07 2zsw n ASN 21 Cb 0.48 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.35 2zsw n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2zsw s ILE 22 N -2.41 -0.05 -0.21 -1.44 1.01 -1.26 -2.84 121.20 114.00 2zsw s ILE 22 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 2zsw s ILE 22 Cb 0.00 -0.11 -0.05 0.00 0.01 0.00 0.00 42.46 42.31 2zsw s ILE 22 CO 0.00 0.08 0.16 -0.22 0.00 0.00 0.00 174.94 174.96 2zsw s LEU 23 N 1.02 4.18 -0.09 2.97 2.96 0.08 -0.75 118.68 129.05 2zsw s LEU 23 Ca -0.08 0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2zsw s LEU 23 Cb -0.12 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 2zsw s LEU 23 CO -0.03 0.13 -0.03 0.20 -1.32 0.00 0.00 176.35 175.30 2zsw s ASN 24 N 0.60 4.98 -0.28 3.68 0.01 0.38 -1.67 114.94 122.65 2zsw s ASN 24 Ca 0.09 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 2zsw s ASN 24 Cb -0.12 -1.41 0.05 0.00 0.41 0.00 0.00 41.25 40.18 2zsw s ASN 24 CO 0.01 0.35 -0.05 0.00 -1.51 0.00 0.00 177.10 175.89 2zsw s TYR 26 N 1.21 3.20 -0.16 0.00 5.04 0.09 0.30 117.35 127.04 2zsw s TYR 26 Ca -0.06 -1.00 0.01 0.00 -2.44 0.00 0.00 57.07 53.58 2zsw s TYR 26 Cb -0.19 -2.33 0.00 0.00 0.35 0.00 0.00 41.96 39.79 2zsw s TYR 26 CO -0.03 -0.61 -0.17 0.08 -1.34 0.00 0.00 175.55 173.48 2zsw s VAL 27 N 1.51 2.50 0.22 3.14 1.01 -0.79 -0.78 120.40 127.21 2zsw s VAL 27 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2zsw s VAL 27 Cb -0.18 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2zsw s VAL 27 CO 0.04 0.52 0.10 0.42 0.00 0.00 0.00 175.10 176.18 2zsw s THR 28 N 0.87 0.33 -0.95 3.92 -4.23 -0.29 -1.63 115.64 113.66 2zsw s THR 28 Ca -0.05 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2zsw s THR 28 Cb -0.15 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2zsw s THR 28 CO -0.02 -0.08 0.00 0.00 -0.54 0.00 0.00 174.62 173.99 2zsw n GLN 29 N -0.35 -0.76 -4.07 3.99 1.13 -0.99 -0.36 117.38 115.98 2zsw n GLN 29 Ca -0.00 0.78 -0.22 0.00 -1.94 0.00 0.00 57.00 55.62 2zsw n GLN 29 Cb 0.66 -4.69 -0.04 0.00 0.11 0.00 0.00 30.24 26.27 2zsw n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2zsw s PHE 30 N -2.27 3.22 -0.29 1.08 -0.71 -1.21 -4.18 117.98 113.62 2zsw s PHE 30 Ca 0.00 -0.06 -0.17 0.00 -1.04 0.00 0.00 56.93 55.66 2zsw s PHE 30 Cb 0.00 -1.47 0.15 0.00 -1.21 0.00 0.00 43.02 40.49 2zsw s PHE 30 CO 0.00 0.50 1.01 -1.58 -1.34 0.00 0.00 175.22 173.81 2zsw s HIS 31 N -2.03 -0.51 1.13 3.49 2.46 -0.81 -1.24 115.29 117.78 2zsw s HIS 31 Ca 0.33 1.05 -0.13 0.00 0.47 0.00 0.00 55.06 56.78 2zsw s HIS 31 Cb -0.09 0.32 0.27 0.00 -0.13 0.00 0.00 32.58 32.95 2zsw s HIS 31 CO 0.26 -0.25 1.04 -1.25 -2.47 0.00 0.00 174.74 172.07 2zsw s PRO 32 N 1.21 -0.68 0.09 2.88 0.04 -1.26 -0.05 135.00 137.22 2zsw s PRO 32 Ca -0.08 0.79 0.25 0.00 0.04 0.00 0.00 61.00 62.00 2zsw s PRO 32 Cb -0.04 -1.59 0.97 0.00 0.04 0.00 0.00 34.50 33.89 2zsw s PRO 32 CO -0.14 -3.55 1.77 -0.35 0.04 0.00 0.00 177.00 174.77 2zsw n PRO 33 N -4.79 0.10 -2.39 0.56 -0.04 -1.26 -4.74 135.00 122.44 2zsw n PRO 33 Ca 0.03 0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 2zsw n PRO 33 Cb 0.55 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2zsw n PRO 33 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2zsw s HIS 34 N -3.07 3.19 0.04 0.54 2.46 -1.26 -5.02 115.29 112.18 2zsw s HIS 34 Ca 0.10 1.14 -0.13 0.00 0.47 0.00 0.00 55.06 56.65 2zsw s HIS 34 Cb 0.14 -3.48 0.02 0.00 -0.13 0.00 0.00 32.58 29.13 2zsw s HIS 34 CO 0.48 -1.59 0.29 -1.50 -2.47 0.00 0.00 174.74 169.96 2zsw s ILE 35 N 1.87 0.08 -0.12 0.89 2.07 -1.26 -4.60 121.20 120.13 2zsw s ILE 35 Ca 0.59 -0.70 0.02 0.00 -1.41 0.00 0.00 60.65 59.15 2zsw s ILE 35 Cb -0.28 -0.94 0.01 0.00 0.13 0.00 0.00 42.46 41.39 2zsw s ILE 35 CO 0.25 -0.38 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.12 2zsw s GLU 36 N -2.57 2.47 -0.17 3.50 2.02 -0.21 -4.99 118.70 118.75 2zsw s GLU 36 Ca -0.05 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.30 2zsw s GLU 36 Cb -0.01 -2.09 0.02 0.00 0.10 0.00 0.00 34.13 32.16 2zsw s GLU 36 CO -0.03 -0.08 -0.18 0.42 0.02 0.00 0.00 175.26 175.41 2zsw s ILE 37 N 1.02 1.92 0.19 -1.63 1.01 -1.26 -0.28 121.20 122.17 2zsw s ILE 37 Ca -0.05 -0.87 0.09 0.00 0.00 0.00 0.00 60.65 59.82 2zsw s ILE 37 Cb -0.15 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2zsw s ILE 37 CO -0.03 0.49 -0.13 -1.10 0.00 0.00 0.00 174.94 174.18 2zsw s GLN 38 N 1.34 1.94 -0.10 2.79 -0.21 0.24 -4.94 119.66 120.72 2zsw s GLN 38 Ca 0.04 -1.33 0.04 0.00 0.02 0.00 0.00 55.36 54.13 2zsw s GLN 38 Cb -0.13 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.79 2zsw s GLN 38 CO -0.12 0.42 -0.24 -1.64 -2.12 0.00 0.00 175.29 171.60 2zsw s MET 39 N -2.82 3.05 -0.05 2.91 -1.94 -1.26 0.97 119.30 120.17 2zsw s MET 39 Ca 0.24 -0.88 0.01 0.00 -1.71 0.00 0.00 55.69 53.35 2zsw s MET 39 Cb -0.08 -2.31 -0.03 0.00 2.01 0.00 0.00 34.83 34.41 2zsw s MET 39 CO 0.14 0.17 -0.04 -0.51 -0.01 0.00 0.00 175.02 174.76 2zsw s LEU 40 N 0.37 3.31 -0.20 -0.03 1.43 0.03 0.36 118.68 123.95 2zsw s LEU 40 Ca -0.18 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2zsw s LEU 40 Cb -0.18 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2zsw s LEU 40 CO 0.08 0.34 -0.16 -0.75 0.23 0.00 0.00 176.35 176.09 2zsw s LYS 41 N -1.07 2.94 -1.54 1.70 2.20 0.12 -1.57 119.74 122.53 2zsw s LYS 41 Ca 0.15 -0.87 -0.14 0.00 -0.36 0.00 0.00 55.97 54.74 2zsw s LYS 41 Cb -0.11 -2.69 0.10 0.00 -1.51 0.00 0.00 37.83 33.62 2zsw s LYS 41 CO 0.04 -0.26 0.87 0.09 -0.36 0.00 0.00 175.35 175.73 2zsw n ASN 42 N 4.62 -4.44 0.00 1.43 3.02 0.20 -1.36 115.26 118.73 2zsw n ASN 42 Ca -0.20 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 2zsw n ASN 42 Cb 0.49 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 2zsw n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2zsw n GLY 43 N -1.55 2.31 3.78 7.41 0.00 -1.26 -5.04 105.19 110.83 2zsw n GLY 43 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2zsw n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2zsw s LYS 44 N -0.76 3.13 0.10 1.61 0.00 -0.46 -5.01 119.74 118.35 2zsw s LYS 44 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 55.97 55.28 2zsw s LYS 44 Cb 0.00 -2.92 -0.10 0.00 0.00 0.00 0.00 37.83 34.81 2zsw s LYS 44 CO 0.00 0.69 1.82 0.21 0.00 0.00 0.00 175.35 178.07 2zsw s LYS 45 N -1.35 4.15 -0.15 1.78 2.47 -1.26 0.15 119.74 125.53 2zsw s LYS 45 Ca 0.19 2.55 -0.29 0.00 -1.56 0.00 0.00 55.97 56.86 2zsw s LYS 45 Cb -0.12 -3.65 -0.02 0.00 -1.46 0.00 0.00 37.83 32.58 2zsw s LYS 45 CO 0.09 -0.84 1.35 0.42 0.16 0.00 0.00 175.35 176.53 2zsw s ILE 46 N 2.91 4.12 0.10 5.43 1.01 0.16 -4.83 121.20 130.09 2zsw s ILE 46 Ca 0.81 1.35 -0.17 0.00 0.00 0.00 0.00 60.65 62.64 2zsw s ILE 46 Cb -0.45 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 2zsw s ILE 46 CO 0.36 -0.14 1.51 1.55 0.00 0.00 0.00 174.94 178.22 2zsw h PRO 47 N 8.58 0.56 -4.20 2.79 0.13 -1.92 -3.41 132.00 134.53 2zsw h PRO 47 Ca -0.29 -0.20 -0.75 0.00 -0.87 0.00 0.00 66.00 63.89 2zsw h PRO 47 Cb 1.12 -0.04 -0.24 0.00 0.13 0.00 0.00 31.00 31.97 2zsw h PRO 47 CO 0.97 0.73 -0.28 0.21 -0.23 0.00 0.00 178.00 179.40 2zsw s LYS 48 N -4.86 2.94 -0.11 0.86 2.20 -1.26 -5.03 119.74 114.48 2zsw s LYS 48 Ca -0.13 -1.55 0.00 0.00 -0.36 0.00 0.00 55.97 53.93 2zsw s LYS 48 Cb 0.08 -4.19 0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2zsw s LYS 48 CO 0.77 -1.18 -0.10 0.08 -0.36 0.00 0.00 175.35 174.56 2zsw s VAL 49 N 1.60 1.19 0.35 4.02 1.01 -1.26 -4.71 120.40 122.59 2zsw s VAL 49 Ca 0.04 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 2zsw s VAL 49 Cb -0.27 -1.16 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 2zsw s VAL 49 CO 0.04 0.39 0.74 -1.61 0.00 0.00 0.00 175.10 174.66 2zsw s GLU 50 N 1.45 3.90 -0.04 2.72 2.02 -0.57 -4.94 118.70 123.24 2zsw s GLU 50 Ca 0.01 0.57 0.06 0.00 0.02 0.00 0.00 54.97 55.62 2zsw s GLU 50 Cb -0.13 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.66 2zsw s GLU 50 CO -0.06 0.09 -0.21 -1.64 0.02 0.00 0.00 175.26 173.46 2zsw s MET 51 N -3.31 1.99 0.78 1.61 -1.94 -1.26 -1.55 119.30 115.63 2zsw s MET 51 Ca 0.53 -0.75 -0.10 0.00 -1.71 0.00 0.00 55.69 53.65 2zsw s MET 51 Cb -0.10 -1.78 0.06 0.00 2.01 0.00 0.00 34.83 35.02 2zsw s MET 51 CO 0.23 0.36 1.09 -1.54 -0.01 0.00 0.00 175.02 175.16 2zsw s SER 52 N -0.22 4.39 0.73 3.03 1.04 0.07 -5.00 113.70 117.73 2zsw s SER 52 Ca 0.01 1.84 -0.15 0.00 0.48 0.00 0.00 55.95 58.13 2zsw s SER 52 Cb -0.11 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.53 2zsw s SER 52 CO 0.02 -2.11 1.20 -1.81 0.98 0.00 0.00 173.24 171.51 2zsw s ASP 53 N -3.35 4.25 0.37 7.02 1.01 -1.26 -4.70 116.67 120.01 2zsw s ASP 53 Ca 0.62 2.34 -0.24 0.00 0.71 0.00 0.00 52.55 55.97 2zsw s ASP 53 Cb -0.17 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.07 2zsw s ASP 53 CO 0.56 -2.23 0.97 -0.32 0.21 0.00 0.00 175.17 174.37 2zsw s MET 54 N -3.91 4.38 0.19 8.23 -2.45 -1.26 -4.81 119.30 119.67 2zsw s MET 54 Ca 0.74 1.33 -0.02 0.00 -1.25 0.00 0.00 55.69 56.49 2zsw s MET 54 Cb -0.29 -2.58 -0.04 0.00 1.25 0.00 0.00 34.83 33.17 2zsw s MET 54 CO 0.45 0.09 0.16 -1.12 1.05 0.00 0.00 175.02 175.65 2zsw s SER 55 N -1.73 0.14 0.39 1.11 0.01 -1.12 -5.03 113.70 107.47 2zsw s SER 55 Ca 0.55 -1.31 0.06 0.00 1.31 0.00 0.00 55.95 56.56 2zsw s SER 55 Cb -0.17 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 2zsw s SER 55 CO 0.22 -0.86 0.22 2.22 0.41 0.00 0.00 173.24 175.45 2zsw n PHE 56 N -0.26 -0.30 -4.42 2.43 -1.74 -1.26 -1.23 117.46 110.68 2zsw n PHE 56 Ca 0.00 -2.80 -0.26 0.00 -0.56 0.00 0.00 57.45 53.83 2zsw n PHE 56 Cb 0.65 0.13 -0.09 0.00 1.52 0.00 0.00 39.48 41.69 2zsw n PHE 56 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 2zsw s SER 57 N -3.51 4.07 0.58 5.98 0.01 -0.21 -4.93 113.70 115.68 2zsw s SER 57 Ca 0.31 -1.19 0.35 0.00 1.31 0.00 0.00 55.95 56.72 2zsw s SER 57 Cb 0.01 -0.44 1.39 0.00 0.21 0.00 0.00 66.02 67.19 2zsw s SER 57 CO 0.22 -0.39 1.64 0.11 0.41 0.00 0.00 173.24 175.22 2zsw h LYS 58 N 1.72 0.00 -0.66 12.44 6.56 -2.03 0.67 116.57 135.28 2zsw h LYS 58 Ca -0.43 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 2zsw h LYS 58 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 2zsw h LYS 58 CO 0.74 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 177.73 2zsw n ASP 59 N -3.75 4.01 0.00 0.86 5.75 -1.26 -4.95 116.55 117.21 2zsw n ASP 59 Ca 0.24 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2zsw n ASP 59 Cb 1.34 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.92 2zsw n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2zsw n TRP 60 N 1.20 0.00 -1.94 2.11 5.03 0.23 -5.01 117.44 119.06 2zsw n TRP 60 Ca 0.23 0.00 -0.34 0.00 3.03 0.00 0.00 57.50 60.42 2zsw n TRP 60 Cb 0.71 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 31.02 2zsw n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2zsw s SER 61 N -1.20 5.26 0.15 -0.99 1.04 -1.26 -4.56 113.70 112.13 2zsw s SER 61 Ca 0.00 2.14 -0.02 0.00 0.48 0.00 0.00 55.95 58.56 2zsw s SER 61 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 2zsw s SER 61 CO 0.00 -1.53 0.34 -0.36 0.98 0.00 0.00 173.24 172.67 2zsw s PHE 62 N -2.01 3.49 0.04 5.02 0.40 -0.37 -1.04 117.98 123.50 2zsw s PHE 62 Ca 0.71 0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 57.42 2zsw s PHE 62 Cb -0.24 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.38 2zsw s PHE 62 CO 0.35 0.45 -0.03 1.52 0.70 0.00 0.00 175.22 178.21 2zsw s TYR 63 N -1.71 0.43 -0.17 0.36 1.13 -0.37 -2.35 117.35 114.66 2zsw s TYR 63 Ca 0.38 -0.87 -0.27 0.00 -1.41 0.00 0.00 57.07 54.90 2zsw s TYR 63 Cb -0.12 -0.32 0.07 0.00 -1.10 0.00 0.00 41.96 40.49 2zsw s TYR 63 CO 0.27 -0.31 0.69 -1.50 -2.51 0.00 0.00 175.55 172.20 2zsw s ILE 64 N -3.02 0.00 -0.22 -3.49 2.07 -0.64 -2.79 121.20 113.11 2zsw s ILE 64 Ca -0.01 -0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.17 2zsw s ILE 64 Cb 0.01 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 2zsw s ILE 64 CO -0.07 -0.00 0.00 -0.22 -1.91 0.00 0.00 174.94 172.74 2zsw s LEU 65 N -0.30 3.17 -0.19 8.50 2.96 -1.26 -1.89 118.68 129.67 2zsw s LEU 65 Ca -0.05 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.52 2zsw s LEU 65 Cb -0.03 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2zsw s LEU 65 CO 0.05 0.01 0.06 0.00 -1.32 0.00 0.00 176.35 175.15 2zsw s ALA 66 N 1.32 3.36 0.01 5.97 0.00 0.15 -0.75 121.76 131.82 2zsw s ALA 66 Ca 0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2zsw s ALA 66 Cb -0.15 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 2zsw s ALA 66 CO 0.01 0.11 -0.01 -3.38 0.00 0.00 0.00 175.76 172.49 2zsw s HIS 67 N 0.51 0.20 0.02 0.00 -3.43 -0.59 0.21 115.29 112.20 2zsw s HIS 67 Ca 0.03 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 53.89 2zsw s HIS 67 Cb -0.13 -0.15 -0.02 0.00 -1.43 0.00 0.00 32.58 30.85 2zsw s HIS 67 CO 0.01 -0.17 -0.04 -0.08 -2.00 0.00 0.00 174.74 172.46 2zsw s THR 68 N -1.23 0.17 0.15 -5.38 -1.32 -0.67 -1.52 115.64 105.85 2zsw s THR 68 Ca -0.13 -0.94 -0.30 0.00 -1.21 0.00 0.00 61.69 59.11 2zsw s THR 68 Cb -0.08 -0.31 -0.07 0.00 -1.51 0.00 0.00 72.50 70.52 2zsw s THR 68 CO -0.01 -0.49 1.05 -1.61 -2.21 0.00 0.00 174.62 171.35 2zsw s GLU 69 N -1.49 4.64 0.10 7.08 2.02 -1.26 -0.74 118.70 129.04 2zsw s GLU 69 Ca -0.15 1.61 -0.14 0.00 0.02 0.00 0.00 54.97 56.31 2zsw s GLU 69 Cb -0.10 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.84 2zsw s GLU 69 CO -0.01 0.14 0.34 -0.59 0.02 0.00 0.00 175.26 175.16 2zsw s PHE 70 N -0.18 -0.12 -0.32 1.61 -0.71 -1.13 -4.90 117.98 112.24 2zsw s PHE 70 Ca 0.48 -0.17 0.01 0.00 -1.04 0.00 0.00 56.93 56.21 2zsw s PHE 70 Cb -0.27 0.16 0.07 0.00 -1.21 0.00 0.00 43.02 41.77 2zsw s PHE 70 CO 0.33 -0.62 0.02 0.99 -1.34 0.00 0.00 175.22 174.60 2zsw s THR 71 N -3.49 2.67 0.35 -4.49 2.01 -1.26 -0.92 115.64 110.51 2zsw s THR 71 Ca 0.01 -1.79 -0.29 0.00 0.31 0.00 0.00 61.69 59.93 2zsw s THR 71 Cb 0.02 -2.70 -0.11 0.00 0.01 0.00 0.00 72.50 69.72 2zsw s THR 71 CO -0.09 -0.31 1.50 -2.16 -0.69 0.00 0.00 174.62 172.86 2zsw s PRO 72 N 1.11 4.13 0.46 4.92 0.04 -1.26 -4.77 135.00 139.63 2zsw s PRO 72 Ca 0.00 2.55 0.06 0.00 0.04 0.00 0.00 61.00 63.65 2zsw s PRO 72 Cb -0.20 -2.99 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 2zsw s PRO 72 CO -0.04 -0.53 0.26 0.99 0.04 0.00 0.00 177.00 177.72 2zsw s THR 73 N -0.88 2.08 0.33 1.26 2.01 -1.26 -1.27 115.64 117.92 2zsw s THR 73 Ca 0.55 -1.60 0.07 0.00 0.31 0.00 0.00 61.69 61.02 2zsw s THR 73 Cb -0.46 -2.69 0.09 0.00 0.01 0.00 0.00 72.50 69.45 2zsw s THR 73 CO 0.59 0.00 1.79 -0.08 -0.69 0.00 0.00 174.62 176.23 2zsw h GLU 74 N 1.16 0.27 -0.00 4.92 4.57 -1.98 -3.37 114.58 120.15 2zsw h GLU 74 Ca -0.41 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2zsw h GLU 74 Cb 1.27 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2zsw h GLU 74 CO 0.65 0.53 -0.00 0.25 -1.18 0.00 0.00 179.01 179.25 2zsw n THR 75 N -4.14 0.00 -2.26 0.32 -2.24 -1.26 -5.02 114.28 99.68 2zsw n THR 75 Ca -0.01 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 2zsw n THR 75 Cb 0.38 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 2zsw n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2zsw s ASP 76 N -0.65 6.95 -0.19 3.42 1.01 -1.26 -5.02 116.67 120.93 2zsw s ASP 76 Ca 0.00 2.38 -0.05 0.00 0.71 0.00 0.00 52.55 55.59 2zsw s ASP 76 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2zsw s ASP 76 CO 0.00 -0.47 0.00 -0.89 0.21 0.00 0.00 175.17 174.02 2zsw s THR 77 N -0.10 4.08 0.11 -1.27 2.01 -1.26 -4.84 115.64 114.37 2zsw s THR 77 Ca 0.54 -0.28 0.11 0.00 0.31 0.00 0.00 61.69 62.37 2zsw s THR 77 Cb -0.36 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2zsw s THR 77 CO 0.39 0.45 -0.27 -0.31 -0.69 0.00 0.00 174.62 174.19 2zsw s TYR 78 N 0.73 2.31 0.15 4.92 1.51 -1.26 0.58 117.35 126.30 2zsw s TYR 78 Ca 0.00 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.58 2zsw s TYR 78 Cb -0.14 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 2zsw s TYR 78 CO 0.02 0.30 0.27 0.00 -1.11 0.00 0.00 175.55 175.03 2zsw s ALA 79 N -1.01 -0.08 -0.06 3.71 0.00 -0.61 -0.66 121.76 123.04 2zsw s ALA 79 Ca 0.14 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2zsw s ALA 79 Cb -0.10 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 2zsw s ALA 79 CO 0.05 -0.62 -0.25 0.00 0.00 0.00 0.00 175.76 174.94 2zsw s ARG 81 N -0.08 1.96 -0.08 0.00 3.52 0.27 -0.33 118.95 124.22 2zsw s ARG 81 Ca -0.06 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 2zsw s ARG 81 Cb -0.14 -1.68 0.02 0.00 -1.56 0.00 0.00 34.95 31.59 2zsw s ARG 81 CO 0.05 0.26 -0.06 0.08 -0.81 0.00 0.00 175.30 174.81 2zsw s VAL 82 N 0.03 0.80 -0.14 7.11 1.01 -0.25 0.81 120.40 129.77 2zsw s VAL 82 Ca -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2zsw s VAL 82 Cb -0.12 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2zsw s VAL 82 CO 0.03 0.31 -0.03 -0.75 0.00 0.00 0.00 175.10 174.66 2zsw s LYS 83 N 1.38 3.47 -0.27 2.72 2.47 0.62 -0.47 119.74 129.66 2zsw s LYS 83 Ca -0.03 -0.49 -0.23 0.00 -1.56 0.00 0.00 55.97 53.66 2zsw s LYS 83 Cb -0.14 -2.88 0.07 0.00 -1.46 0.00 0.00 37.83 33.43 2zsw s LYS 83 CO -0.03 0.37 0.70 -1.58 0.16 0.00 0.00 175.35 174.97 2zsw s HIS 84 N 0.01 -0.82 0.30 4.03 2.46 -1.26 -1.05 115.29 118.96 2zsw s HIS 84 Ca 0.01 1.93 0.27 0.00 0.47 0.00 0.00 55.06 57.74 2zsw s HIS 84 Cb -0.13 0.32 1.47 0.00 -0.13 0.00 0.00 32.58 34.11 2zsw s HIS 84 CO 0.02 -0.40 1.80 0.38 -2.47 0.00 0.00 174.74 174.08 2zsw h ASP 85 N 5.35 0.00 1.21 9.88 -0.00 -1.94 0.31 116.42 131.23 2zsw h ASP 85 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.74 2zsw h ASP 85 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.50 2zsw h ASP 85 CO 0.08 0.00 0.00 0.77 -0.00 0.00 0.00 179.24 180.09 2zsw h SER 86 N 0.00 0.00 -3.66 4.15 4.64 -1.88 -3.44 113.55 113.36 2zsw h SER 86 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 2zsw h SER 86 Cb 0.35 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.19 2zsw h SER 86 CO 0.00 0.00 -0.77 -0.04 -0.87 0.00 0.00 176.83 175.15 2zsw s MET 87 N -3.31 2.96 0.28 4.77 -1.94 0.10 -4.88 119.30 117.27 2zsw s MET 87 Ca 0.06 -0.70 -0.00 0.00 -1.71 0.00 0.00 55.69 53.33 2zsw s MET 87 Cb 0.09 -2.49 0.49 0.00 2.01 0.00 0.00 34.83 34.93 2zsw s MET 87 CO 0.53 0.40 1.89 0.00 -0.01 0.00 0.00 175.02 177.82 2zsw h ALA 88 N 6.08 1.47 -2.28 3.03 0.00 -1.85 -3.44 119.26 122.27 2zsw h ALA 88 Ca -0.35 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 2zsw h ALA 88 Cb 1.19 -0.27 -0.15 0.00 0.00 0.00 0.00 17.79 18.55 2zsw h ALA 88 CO 0.53 0.37 -0.68 -1.83 0.00 0.00 0.00 179.25 177.64 2zsw s GLU 89 N -5.97 0.88 0.88 0.00 -1.05 -1.26 -5.10 118.70 107.07 2zsw s GLU 89 Ca -0.12 -1.38 -0.11 0.00 -0.15 0.00 0.00 54.97 53.21 2zsw s GLU 89 Cb 0.20 -0.08 0.12 0.00 -0.44 0.00 0.00 34.13 33.94 2zsw s GLU 89 CO 0.81 -0.10 1.11 -2.14 0.95 0.00 0.00 175.26 175.89 2zsw s PRO 90 N -3.90 1.37 -0.15 -4.83 0.02 -1.26 -4.88 135.00 121.36 2zsw s PRO 90 Ca 0.16 1.28 0.01 0.00 0.02 0.00 0.00 61.00 62.47 2zsw s PRO 90 Cb 0.06 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.81 2zsw s PRO 90 CO -0.02 -2.30 -0.19 0.21 -0.33 0.00 0.00 177.00 174.37 2zsw s LYS 91 N -4.76 2.77 -0.13 5.54 2.20 0.38 -4.92 119.74 120.81 2zsw s LYS 91 Ca 0.64 -0.75 -0.04 0.00 -0.36 0.00 0.00 55.97 55.46 2zsw s LYS 91 Cb -0.20 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.73 2zsw s LYS 91 CO 0.58 -0.13 0.03 0.99 -0.36 0.00 0.00 175.35 176.45 2zsw s THR 92 N 1.13 4.50 -0.09 3.43 2.01 -1.26 -1.09 115.64 124.28 2zsw s THR 92 Ca -0.00 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2zsw s THR 92 Cb -0.14 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.44 2zsw s THR 92 CO -0.08 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.62 2zsw s VAL 93 N -0.35 1.08 0.21 3.82 1.01 0.55 -4.96 120.40 121.76 2zsw s VAL 93 Ca 0.08 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2zsw s VAL 93 Cb -0.12 -1.04 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 2zsw s VAL 93 CO 0.02 0.36 0.85 -0.31 0.00 0.00 0.00 175.10 176.02 2zsw s TYR 94 N 1.21 3.90 0.17 5.22 2.02 -1.26 -0.38 117.35 128.23 2zsw s TYR 94 Ca -0.04 1.74 -0.32 0.00 -0.37 0.00 0.00 57.07 58.08 2zsw s TYR 94 Cb -0.14 -2.85 -0.11 0.00 -0.40 0.00 0.00 41.96 38.46 2zsw s TYR 94 CO -0.03 0.46 1.67 -0.46 -1.57 0.00 0.00 175.55 175.63 2zsw s TRP 95 N -1.22 2.84 -0.23 2.71 -0.00 0.17 -4.89 118.94 118.30 2zsw s TRP 95 Ca 0.39 0.40 -0.01 0.00 -0.00 0.00 0.00 56.10 56.88 2zsw s TRP 95 Cb -0.23 -4.06 0.02 0.00 -0.00 0.00 0.00 33.47 29.20 2zsw s TRP 95 CO 0.28 -4.03 -0.08 0.34 -0.00 0.00 0.00 176.95 173.46 2zsw s ASP 96 N 1.44 4.11 0.33 5.86 -1.08 -1.26 -4.79 116.67 121.28 2zsw s ASP 96 Ca 0.74 -0.77 0.03 0.00 -0.52 0.00 0.00 52.55 52.02 2zsw s ASP 96 Cb -0.46 -1.64 0.59 0.00 -1.46 0.00 0.00 42.92 39.94 2zsw s ASP 96 CO 0.32 -0.09 1.91 0.08 0.52 0.00 0.00 175.17 177.91 2zsw h ARG 97 N 8.01 0.66 0.00 4.34 0.11 -1.94 -0.18 114.38 125.37 2zsw h ARG 97 Ca -0.36 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2zsw h ARG 97 Cb 1.12 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2zsw h ARG 97 CO 0.59 0.58 0.00 -0.25 0.10 0.00 0.00 179.97 180.98 2zsw n ASP 98 N -4.33 0.00 0.00 0.08 8.00 -1.26 -4.85 116.55 114.19 2zsw n ASP 98 Ca 0.03 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2zsw n ASP 98 Cb 0.18 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 2zsw n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04