#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zt1 s LYS 3 N 0.00 2.75 0.14 -1.09 1.02 -1.01 -4.96 119.74 116.59 1zt1 s LYS 3 Ca 0.00 -0.60 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 1zt1 s LYS 3 Cb 0.00 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.71 1zt1 s LYS 3 CO 0.00 0.60 0.96 0.99 -0.92 0.00 0.00 175.35 176.98 1zt1 s THR 4 N -0.66 4.40 -0.02 2.17 2.01 -1.25 -2.51 115.64 119.78 1zt1 s THR 4 Ca 0.10 2.07 -0.30 0.00 0.31 0.00 0.00 61.69 63.86 1zt1 s THR 4 Cb -0.11 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 1zt1 s THR 4 CO 0.01 0.35 1.30 -2.16 -0.69 0.00 0.00 174.62 173.44 1zt1 s PRO 5 N -0.25 4.32 0.26 4.92 0.04 -1.26 -4.36 135.00 138.68 1zt1 s PRO 5 Ca 0.46 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 63.13 1zt1 s PRO 5 Cb -0.24 -3.55 -0.09 0.00 0.04 0.00 0.00 34.50 30.66 1zt1 s PRO 5 CO 0.30 -0.50 0.76 -0.65 0.04 0.00 0.00 177.00 176.96 1zt1 s GLN 6 N 2.23 4.24 -0.06 4.56 -1.52 -0.34 -4.90 119.66 123.85 1zt1 s GLN 6 Ca 0.60 0.89 0.02 0.00 -1.95 0.00 0.00 55.36 54.92 1zt1 s GLN 6 Cb -0.28 -2.75 0.01 0.00 -0.22 0.00 0.00 33.01 29.77 1zt1 s GLN 6 CO 0.25 0.31 -0.12 0.42 -0.25 0.00 0.00 175.29 175.90 1zt1 s ILE 7 N -1.66 1.11 -0.05 1.08 1.01 -1.26 -1.50 121.20 119.93 1zt1 s ILE 7 Ca 0.47 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1zt1 s ILE 7 Cb -0.15 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1zt1 s ILE 7 CO 0.20 0.35 -0.20 -1.10 0.00 0.00 0.00 174.94 174.19 1zt1 s GLN 8 N 0.66 2.09 -0.09 2.79 -0.21 -0.62 -4.99 119.66 119.27 1zt1 s GLN 8 Ca -0.14 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 54.54 1zt1 s GLN 8 Cb -0.16 -1.79 0.01 0.00 1.00 0.00 0.00 33.01 32.08 1zt1 s GLN 8 CO 0.04 0.29 -0.15 0.08 -2.12 0.00 0.00 175.29 173.43 1zt1 s VAL 9 N -0.03 1.45 -0.01 1.09 1.01 -1.26 -1.01 120.40 121.63 1zt1 s VAL 9 Ca -0.04 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 1zt1 s VAL 9 Cb -0.12 -1.31 0.10 0.00 0.00 0.00 0.00 36.38 35.05 1zt1 s VAL 9 CO 0.03 0.43 0.97 -0.72 0.00 0.00 0.00 175.10 175.81 1zt1 s TYR 10 N 0.82 -0.27 0.44 5.22 1.13 -0.68 -4.59 117.35 119.42 1zt1 s TYR 10 Ca -0.10 0.12 0.08 0.00 -1.41 0.00 0.00 57.07 55.76 1zt1 s TYR 10 Cb -0.16 0.55 0.01 0.00 -1.10 0.00 0.00 41.96 41.26 1zt1 s TYR 10 CO 0.01 -0.52 0.52 -1.54 -2.51 0.00 0.00 175.55 171.52 1zt1 s SER 11 N -2.52 5.38 -0.10 -0.18 1.04 -1.26 0.13 113.70 116.19 1zt1 s SER 11 Ca 0.07 -0.59 -0.28 0.00 0.48 0.00 0.00 55.95 55.63 1zt1 s SER 11 Cb -0.01 -0.52 -0.24 0.00 0.10 0.00 0.00 66.02 65.35 1zt1 s SER 11 CO -0.06 -0.78 0.92 -0.09 0.98 0.00 0.00 173.24 174.20 1zt1 h ARG 12 N 0.73 0.01 -6.20 4.02 9.65 -1.67 -3.46 114.38 117.46 1zt1 h ARG 12 Ca -0.40 -0.01 -0.53 0.00 -1.10 0.00 0.00 59.98 57.95 1zt1 h ARG 12 Cb 1.28 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.80 1zt1 h ARG 12 CO 0.49 0.85 -0.55 -1.01 2.80 0.00 0.00 179.97 182.55 1zt1 s HIS 13 N -2.84 3.11 0.00 2.20 3.76 -1.26 -5.06 115.29 115.20 1zt1 s HIS 13 Ca -0.18 -0.08 -0.37 0.00 -0.15 0.00 0.00 55.06 54.28 1zt1 s HIS 13 Cb -0.02 -1.43 -0.15 0.00 1.11 0.00 0.00 32.58 32.09 1zt1 s HIS 13 CO 0.69 0.52 1.54 -2.30 -0.85 0.00 0.00 174.74 174.34 1zt1 n PRO 14 N -0.85 1.46 -2.32 8.40 -0.02 -1.26 -4.87 135.00 135.54 1zt1 n PRO 14 Ca -0.08 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1zt1 n PRO 14 Cb 0.57 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 1zt1 n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1zt1 s PRO 15 N 1.64 4.33 -0.10 0.52 0.04 -1.26 -5.02 135.00 135.15 1zt1 s PRO 15 Ca 0.87 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.80 1zt1 s PRO 15 Cb -0.90 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.14 1zt1 s PRO 15 CO 0.50 -0.46 -0.21 -2.00 0.04 0.00 0.00 177.00 174.87 1zt1 s GLU 16 N 1.96 3.03 -0.28 4.56 2.12 -1.26 -5.08 118.70 123.75 1zt1 s GLU 16 Ca 0.61 -0.82 -0.28 0.00 0.36 0.00 0.00 54.97 54.84 1zt1 s GLU 16 Cb -0.30 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 1zt1 s GLU 16 CO 0.26 0.25 2.11 -0.80 -0.54 0.00 0.00 175.26 176.54 1zt1 s ASN 17 N 0.20 5.48 0.00 -1.70 0.01 -1.26 -2.21 114.94 115.45 1zt1 s ASN 17 Ca -0.12 1.62 0.00 0.00 -0.71 0.00 0.00 52.86 53.65 1zt1 s ASN 17 Cb -0.16 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1zt1 s ASN 17 CO 0.07 -1.99 0.00 0.61 -1.51 0.00 0.00 177.10 174.28 1zt1 n GLY 18 N 5.69 1.42 2.95 0.66 0.00 -0.97 -5.01 105.19 109.94 1zt1 n GLY 18 Ca 0.28 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1zt1 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zt1 s LYS 19 N -1.91 1.08 0.02 1.61 2.20 -0.94 -5.05 119.74 116.75 1zt1 s LYS 19 Ca 0.00 -0.24 -0.37 0.00 -0.36 0.00 0.00 55.97 55.01 1zt1 s LYS 19 Cb 0.00 -0.98 -0.16 0.00 -1.51 0.00 0.00 37.83 35.18 1zt1 s LYS 19 CO 0.00 0.00 1.51 -2.30 -0.36 0.00 0.00 175.35 174.20 1zt1 n PRO 20 N 3.77 1.43 -3.73 4.03 -0.02 -1.26 -4.57 135.00 134.64 1zt1 n PRO 20 Ca -0.23 0.52 -0.11 0.00 -2.02 0.00 0.00 63.50 61.66 1zt1 n PRO 20 Cb 0.52 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 1zt1 n PRO 20 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1zt1 s ASN 21 N 1.42 -0.13 -0.33 2.55 3.84 -1.14 -5.02 114.94 116.13 1zt1 s ASN 21 Ca 0.87 -0.28 -0.13 0.00 0.21 0.00 0.00 52.86 53.53 1zt1 s ASN 21 Cb -0.90 0.39 -0.02 0.00 -0.55 0.00 0.00 41.25 40.17 1zt1 s ASN 21 CO 0.49 -0.70 0.26 -0.63 -2.79 0.00 0.00 177.10 173.73 1zt1 s ILE 22 N -3.08 5.27 0.45 -5.21 1.01 -1.26 -1.79 121.20 116.58 1zt1 s ILE 22 Ca -0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.30 1zt1 s ILE 22 Cb 0.01 -3.72 -0.10 0.00 0.01 0.00 0.00 42.46 38.66 1zt1 s ILE 22 CO -0.07 -0.00 1.00 -0.22 0.00 0.00 0.00 174.94 175.65 1zt1 s LEU 23 N 1.78 3.93 -0.02 2.97 2.96 -0.50 -1.60 118.68 128.20 1zt1 s LEU 23 Ca 0.07 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 1zt1 s LEU 23 Cb -0.17 -4.50 0.03 0.00 0.50 0.00 0.00 46.19 42.05 1zt1 s LEU 23 CO 0.11 -0.56 0.02 0.20 -1.32 0.00 0.00 176.35 174.80 1zt1 s ASN 24 N -2.01 0.19 -0.35 3.68 0.01 0.12 -2.16 114.94 114.43 1zt1 s ASN 24 Ca 0.64 0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.80 1zt1 s ASN 24 Cb -0.14 -0.12 0.09 0.00 0.41 0.00 0.00 41.25 41.49 1zt1 s ASN 24 CO 0.18 -0.12 0.08 0.00 -1.51 0.00 0.00 177.10 175.73 1zt1 s TYR 26 N 1.10 3.12 -0.21 0.00 5.04 -0.18 -1.28 117.35 124.94 1zt1 s TYR 26 Ca 0.04 -0.46 -0.07 0.00 -2.44 0.00 0.00 57.07 54.15 1zt1 s TYR 26 Cb -0.21 -3.21 -0.03 0.00 0.35 0.00 0.00 41.96 38.86 1zt1 s TYR 26 CO -0.05 -0.85 0.05 0.08 -1.34 0.00 0.00 175.55 173.44 1zt1 s VAL 27 N 2.34 4.39 0.23 3.14 1.01 -0.54 -1.60 120.40 129.38 1zt1 s VAL 27 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1zt1 s VAL 27 Cb -0.18 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1zt1 s VAL 27 CO 0.13 0.41 0.21 0.42 0.00 0.00 0.00 175.10 176.27 1zt1 s THR 28 N 0.95 0.00 -1.46 3.92 -4.23 -0.56 -1.10 115.64 113.16 1zt1 s THR 28 Ca 0.03 -1.90 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 1zt1 s THR 28 Cb -0.14 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.26 1zt1 s THR 28 CO 0.03 0.00 0.85 0.00 -0.54 0.00 0.00 174.62 174.96 1zt1 n GLN 29 N -0.34 -5.89 -4.26 3.99 6.02 -0.38 -1.20 117.38 115.32 1zt1 n GLN 29 Ca 0.02 0.79 -0.24 0.00 -0.01 0.00 0.00 57.00 57.56 1zt1 n GLN 29 Cb 0.65 -5.71 -0.08 0.00 1.02 0.00 0.00 30.24 26.12 1zt1 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1zt1 s PHE 30 N -3.22 2.60 -0.29 1.08 -0.71 -1.17 -3.96 117.98 112.30 1zt1 s PHE 30 Ca 0.47 -0.43 -0.16 0.00 -1.04 0.00 0.00 56.93 55.77 1zt1 s PHE 30 Cb -0.22 -1.56 0.16 0.00 -1.21 0.00 0.00 43.02 40.20 1zt1 s PHE 30 CO 0.58 0.42 1.06 -1.58 -1.34 0.00 0.00 175.22 174.36 1zt1 s HIS 31 N -2.50 -0.43 0.99 3.49 2.46 -1.04 -1.04 115.29 117.22 1zt1 s HIS 31 Ca 0.36 0.86 -0.15 0.00 0.47 0.00 0.00 55.06 56.59 1zt1 s HIS 31 Cb -0.00 0.26 0.19 0.00 -0.13 0.00 0.00 32.58 32.89 1zt1 s HIS 31 CO 0.20 -0.21 1.21 -1.25 -2.47 0.00 0.00 174.74 172.22 1zt1 s PRO 32 N 1.26 0.50 0.30 2.88 0.04 -1.26 -2.39 135.00 136.33 1zt1 s PRO 32 Ca -0.09 -0.08 0.24 0.00 0.04 0.00 0.00 61.00 61.11 1zt1 s PRO 32 Cb -0.03 -1.80 1.08 0.00 0.04 0.00 0.00 34.50 33.79 1zt1 s PRO 32 CO -0.13 -2.56 1.73 -1.00 0.04 0.00 0.00 177.00 175.08 1zt1 h PRO 33 N -1.75 0.00 -6.36 0.56 0.13 -2.00 -3.45 132.00 119.13 1zt1 h PRO 33 Ca -0.46 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 1zt1 h PRO 33 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1zt1 h PRO 33 CO 0.47 0.00 0.96 -1.01 -0.23 0.00 0.00 178.00 178.19 1zt1 s HIS 34 N -3.41 2.47 -0.27 1.56 3.76 -1.26 -4.98 115.29 113.17 1zt1 s HIS 34 Ca 0.02 0.49 -0.19 0.00 -0.15 0.00 0.00 55.06 55.23 1zt1 s HIS 34 Cb 0.09 -3.82 0.07 0.00 1.11 0.00 0.00 32.58 30.02 1zt1 s HIS 34 CO 0.35 -3.27 0.68 -1.50 -0.85 0.00 0.00 174.74 170.15 1zt1 s ILE 35 N 2.96 -0.00 -0.20 0.60 2.07 -1.26 -4.63 121.20 120.74 1zt1 s ILE 35 Ca 0.69 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.92 1zt1 s ILE 35 Cb -0.34 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.29 1zt1 s ILE 35 CO 0.29 0.00 -0.10 -1.61 -1.91 0.00 0.00 174.94 171.61 1zt1 s GLU 36 N 1.07 3.25 -0.00 3.50 8.01 -1.18 -5.02 118.70 128.33 1zt1 s GLU 36 Ca -0.06 -0.70 0.01 0.00 0.01 0.00 0.00 54.97 54.24 1zt1 s GLU 36 Cb -0.05 -2.84 -0.04 0.00 -4.31 0.00 0.00 34.13 26.89 1zt1 s GLU 36 CO -0.11 -0.18 0.02 0.42 0.01 0.00 0.00 175.26 175.42 1zt1 s ILE 37 N 1.35 4.29 -0.28 -1.63 1.01 -1.26 -1.72 121.20 122.96 1zt1 s ILE 37 Ca 0.05 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1zt1 s ILE 37 Cb -0.14 -2.92 0.08 0.00 0.01 0.00 0.00 42.46 39.49 1zt1 s ILE 37 CO -0.06 0.37 0.01 -1.58 0.00 0.00 0.00 174.94 173.68 1zt1 s GLN 38 N -1.60 1.33 -0.04 2.79 2.00 -0.85 -5.03 119.66 118.26 1zt1 s GLN 38 Ca 0.20 -1.20 -0.20 0.00 -2.00 0.00 0.00 55.36 52.16 1zt1 s GLN 38 Cb -0.12 -2.57 -0.05 0.00 0.80 0.00 0.00 33.01 31.08 1zt1 s GLN 38 CO 0.11 -0.78 0.58 -1.64 -0.50 0.00 0.00 175.29 173.07 1zt1 s MET 39 N 1.35 4.34 0.27 1.67 -1.94 -1.26 -2.57 119.30 121.16 1zt1 s MET 39 Ca 0.02 0.69 0.02 0.00 -1.71 0.00 0.00 55.69 54.71 1zt1 s MET 39 Cb -0.18 -3.38 -0.06 0.00 2.01 0.00 0.00 34.83 33.22 1zt1 s MET 39 CO -0.11 0.26 0.07 -0.51 -0.01 0.00 0.00 175.02 174.71 1zt1 s LEU 40 N 0.19 1.90 -0.33 -0.03 1.43 -0.95 -2.82 118.68 118.07 1zt1 s LEU 40 Ca 0.31 -1.35 0.05 0.00 -1.03 0.00 0.00 54.13 52.10 1zt1 s LEU 40 Cb -0.17 -0.15 0.17 0.00 0.03 0.00 0.00 46.19 46.08 1zt1 s LEU 40 CO 0.16 -0.66 0.50 -0.75 0.23 0.00 0.00 176.35 175.83 1zt1 s LYS 41 N -3.96 0.58 -1.80 1.70 2.20 -0.77 -3.45 119.74 114.23 1zt1 s LYS 41 Ca 0.36 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 1zt1 s LYS 41 Cb 0.08 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1zt1 s LYS 41 CO 0.13 -1.10 0.00 0.09 -0.36 0.00 0.00 175.35 174.11 1zt1 n ASN 42 N 5.00 -5.61 0.00 1.43 3.02 -0.95 -2.81 115.26 115.33 1zt1 n ASN 42 Ca 0.06 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1zt1 n ASN 42 Cb 0.52 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.99 1zt1 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zt1 n GLY 43 N -0.90 2.77 3.83 7.41 0.00 -1.26 -5.08 105.19 111.97 1zt1 n GLY 43 Ca -0.23 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 1zt1 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zt1 s LYS 44 N 0.00 3.47 0.32 1.61 2.20 -1.12 -4.98 119.74 121.24 1zt1 s LYS 44 Ca 0.00 0.98 -0.27 0.00 -0.36 0.00 0.00 55.97 56.32 1zt1 s LYS 44 Cb 0.00 -2.06 -0.09 0.00 -1.51 0.00 0.00 37.83 34.16 1zt1 s LYS 44 CO 0.00 -0.67 0.99 0.21 -0.36 0.00 0.00 175.35 175.52 1zt1 s LYS 45 N -4.53 4.54 -0.24 4.03 2.20 -1.26 -1.85 119.74 122.62 1zt1 s LYS 45 Ca 0.59 1.47 -0.12 0.00 -0.36 0.00 0.00 55.97 57.55 1zt1 s LYS 45 Cb -0.13 -2.87 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 1zt1 s LYS 45 CO 0.43 0.21 0.24 0.42 -0.36 0.00 0.00 175.35 176.28 1zt1 s ILE 46 N -1.49 5.30 0.33 5.43 1.01 -1.13 -4.91 121.20 125.75 1zt1 s ILE 46 Ca 0.50 0.33 -0.25 0.00 0.00 0.00 0.00 60.65 61.22 1zt1 s ILE 46 Cb -0.23 -3.57 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 1zt1 s ILE 46 CO 0.29 0.29 0.94 -2.16 0.00 0.00 0.00 174.94 174.30 1zt1 s PRO 47 N 1.33 4.53 -0.85 2.79 0.04 -1.26 -4.36 135.00 137.22 1zt1 s PRO 47 Ca 0.11 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 1zt1 s PRO 47 Cb -0.14 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 1zt1 s PRO 47 CO 0.07 0.25 0.76 1.63 0.04 0.00 0.00 177.00 179.75 1zt1 n LYS 48 N 0.43 -1.76 -3.03 4.56 5.02 -1.26 -4.98 118.16 117.13 1zt1 n LYS 48 Ca 0.02 0.94 -0.43 0.00 -2.02 0.00 0.00 58.31 56.83 1zt1 n LYS 48 Cb 0.51 -5.32 -0.06 0.00 -0.02 0.00 0.00 35.03 30.13 1zt1 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1zt1 s VAL 49 N -3.25 4.77 -0.19 -0.18 1.01 -1.26 -4.94 120.40 116.35 1zt1 s VAL 49 Ca 0.30 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 1zt1 s VAL 49 Cb -0.04 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1zt1 s VAL 49 CO 0.66 -0.54 1.56 -0.70 0.00 0.00 0.00 175.10 176.08 1zt1 s GLU 50 N 3.00 3.92 0.05 2.72 2.56 -1.11 -4.85 118.70 124.99 1zt1 s GLU 50 Ca 0.27 1.72 -0.16 0.00 0.00 0.00 0.00 54.97 56.81 1zt1 s GLU 50 Cb -0.13 -3.99 -0.06 0.00 2.00 0.00 0.00 34.13 31.95 1zt1 s GLU 50 CO 0.19 -1.14 0.48 -1.64 -0.56 0.00 0.00 175.26 172.59 1zt1 s MET 51 N 4.40 4.00 0.74 4.30 -1.94 -1.26 -2.63 119.30 126.90 1zt1 s MET 51 Ca 0.69 0.51 -0.11 0.00 -1.71 0.00 0.00 55.69 55.06 1zt1 s MET 51 Cb -0.25 -3.17 0.03 0.00 2.01 0.00 0.00 34.83 33.45 1zt1 s MET 51 CO 0.27 0.64 1.09 -1.54 -0.01 0.00 0.00 175.02 175.47 1zt1 s SER 52 N -1.23 5.11 0.56 3.03 1.04 -0.37 -5.04 113.70 116.81 1zt1 s SER 52 Ca 0.28 1.24 -0.18 0.00 0.48 0.00 0.00 55.95 57.77 1zt1 s SER 52 Cb -0.17 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 63.87 1zt1 s SER 52 CO 0.16 -1.57 1.08 -1.81 0.98 0.00 0.00 173.24 172.08 1zt1 s ASP 53 N -4.14 5.83 0.60 7.02 1.01 -1.26 -4.68 116.67 121.04 1zt1 s ASP 53 Ca 0.59 1.96 -0.16 0.00 0.71 0.00 0.00 52.55 55.65 1zt1 s ASP 53 Cb -0.12 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 1zt1 s ASP 53 CO 0.53 -1.14 1.07 -0.32 0.21 0.00 0.00 175.17 175.52 1zt1 s MET 54 N -3.65 3.25 0.04 8.23 1.75 -1.26 -4.73 119.30 122.93 1zt1 s MET 54 Ca 0.67 1.24 -0.01 0.00 -1.25 0.00 0.00 55.69 56.35 1zt1 s MET 54 Cb -0.19 -2.02 0.00 0.00 2.84 0.00 0.00 34.83 35.47 1zt1 s MET 54 CO 0.30 -0.87 0.07 -1.13 -0.65 0.00 0.00 175.02 172.74 1zt1 n SER 55 N -2.05 -0.19 -3.85 1.11 3.41 -0.95 -5.00 113.62 106.10 1zt1 n SER 55 Ca 0.09 -1.18 -0.09 0.00 -0.26 0.00 0.00 58.87 57.43 1zt1 n SER 55 Cb 0.53 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.74 1zt1 n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1zt1 s PHE 56 N -6.61 0.16 0.21 7.33 -0.71 -1.26 -0.80 117.98 116.30 1zt1 s PHE 56 Ca 0.02 -0.53 0.01 0.00 -1.04 0.00 0.00 56.93 55.39 1zt1 s PHE 56 Cb -0.00 0.06 0.04 0.00 -1.21 0.00 0.00 43.02 41.90 1zt1 s PHE 56 CO 0.02 -0.70 0.28 -1.13 -1.34 0.00 0.00 175.22 172.35 1zt1 n SER 57 N -0.19 0.50 0.26 1.98 3.41 -0.80 -4.93 113.62 113.85 1zt1 n SER 57 Ca -0.11 -1.40 0.15 0.00 -0.26 0.00 0.00 58.87 57.25 1zt1 n SER 57 Cb 0.63 -0.17 0.57 0.00 -0.26 0.00 0.00 64.21 64.98 1zt1 n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1zt1 h LYS 58 N 0.00 0.00 -0.44 4.33 1.57 -2.03 -1.95 116.57 118.06 1zt1 h LYS 58 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1zt1 h LYS 58 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1zt1 h LYS 58 CO 0.11 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 178.67 1zt1 n ASP 59 N -3.19 2.68 0.00 0.86 5.75 -1.26 -4.95 116.55 116.43 1zt1 n ASP 59 Ca 0.01 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1zt1 n ASP 59 Cb 0.36 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1zt1 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1zt1 n TRP 60 N 0.96 0.00 -2.14 2.11 7.02 -0.73 -5.03 117.44 119.63 1zt1 n TRP 60 Ca 0.17 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.33 1zt1 n TRP 60 Cb 0.44 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.33 1zt1 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1zt1 s SER 61 N -3.34 6.08 0.25 -0.99 1.04 -1.26 -4.61 113.70 110.85 1zt1 s SER 61 Ca 0.00 1.71 -0.04 0.00 0.48 0.00 0.00 55.95 58.10 1zt1 s SER 61 Cb 0.00 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 1zt1 s SER 61 CO 0.00 -0.96 0.49 -0.36 0.98 0.00 0.00 173.24 173.38 1zt1 s PHE 62 N -2.56 3.48 0.01 5.02 0.40 -0.20 -1.91 117.98 122.21 1zt1 s PHE 62 Ca 0.61 0.55 0.03 0.00 -0.60 0.00 0.00 56.93 57.53 1zt1 s PHE 62 Cb -0.14 -2.03 -0.01 0.00 0.51 0.00 0.00 43.02 41.36 1zt1 s PHE 62 CO 0.36 0.26 -0.10 0.71 0.70 0.00 0.00 175.22 177.16 1zt1 s TYR 63 N -1.96 0.89 -0.09 0.36 1.51 0.02 -1.24 117.35 116.83 1zt1 s TYR 63 Ca 0.42 -0.22 -0.25 0.00 -1.01 0.00 0.00 57.07 56.01 1zt1 s TYR 63 Cb -0.11 -0.56 0.06 0.00 -0.11 0.00 0.00 41.96 41.24 1zt1 s TYR 63 CO 0.29 -0.01 0.58 -1.50 -1.11 0.00 0.00 175.55 173.79 1zt1 s ILE 64 N -0.44 0.01 -0.17 2.71 2.07 -0.26 -2.24 121.20 122.88 1zt1 s ILE 64 Ca 0.02 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1zt1 s ILE 64 Cb -0.05 -0.87 0.01 0.00 0.13 0.00 0.00 42.46 41.68 1zt1 s ILE 64 CO 0.00 -0.06 -0.19 -0.22 -1.91 0.00 0.00 174.94 172.57 1zt1 s LEU 65 N -0.79 2.22 -0.12 8.50 2.96 -1.26 -1.46 118.68 128.73 1zt1 s LEU 65 Ca -0.08 -0.60 -0.09 0.00 -0.22 0.00 0.00 54.13 53.13 1zt1 s LEU 65 Cb -0.02 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 1zt1 s LEU 65 CO 0.06 0.02 0.18 0.00 -1.32 0.00 0.00 176.35 175.30 1zt1 s ALA 66 N 1.17 3.81 -0.23 5.97 0.00 -0.41 -1.24 121.76 130.83 1zt1 s ALA 66 Ca 0.02 -0.58 -0.20 0.00 0.00 0.00 0.00 51.96 51.19 1zt1 s ALA 66 Cb -0.14 -2.08 0.06 0.00 0.00 0.00 0.00 23.12 20.97 1zt1 s ALA 66 CO -0.09 0.51 0.62 -3.38 0.00 0.00 0.00 175.76 173.42 1zt1 s HIS 67 N -0.77 -0.72 0.22 0.00 -0.00 -1.08 0.08 115.29 113.02 1zt1 s HIS 67 Ca 0.15 1.69 0.01 0.00 -0.00 0.00 0.00 55.06 56.92 1zt1 s HIS 67 Cb -0.13 0.27 -0.05 0.00 -0.00 0.00 0.00 32.58 32.68 1zt1 s HIS 67 CO 0.05 -0.35 0.06 -0.08 -0.00 0.00 0.00 174.74 174.41 1zt1 s THR 68 N 0.50 0.59 0.24 -5.38 -1.32 -0.92 -2.74 115.64 106.62 1zt1 s THR 68 Ca -0.01 -1.99 -0.14 0.00 -1.21 0.00 0.00 61.69 58.33 1zt1 s THR 68 Cb -0.05 -2.40 -0.08 0.00 -1.51 0.00 0.00 72.50 68.47 1zt1 s THR 68 CO -0.02 -0.21 0.65 -1.61 -2.21 0.00 0.00 174.62 171.21 1zt1 s GLU 69 N -3.99 3.99 -0.15 7.08 2.02 -1.26 -1.42 118.70 124.98 1zt1 s GLU 69 Ca 0.32 0.56 -0.29 0.00 0.02 0.00 0.00 54.97 55.58 1zt1 s GLU 69 Cb 0.07 -2.67 0.10 0.00 0.10 0.00 0.00 34.13 31.73 1zt1 s GLU 69 CO 0.09 0.31 0.88 -0.59 0.02 0.00 0.00 175.26 175.97 1zt1 s PHE 70 N -1.75 -0.50 -0.55 1.61 -0.71 -0.74 -4.88 117.98 110.46 1zt1 s PHE 70 Ca 0.47 0.95 -0.09 0.00 -1.04 0.00 0.00 56.93 57.22 1zt1 s PHE 70 Cb -0.13 0.41 0.14 0.00 -1.21 0.00 0.00 43.02 42.24 1zt1 s PHE 70 CO 0.19 -0.41 0.42 0.99 -1.34 0.00 0.00 175.22 175.07 1zt1 s THR 71 N -0.86 4.35 0.61 -4.49 2.01 -1.26 -2.89 115.64 113.11 1zt1 s THR 71 Ca -0.04 -2.06 -0.19 0.00 0.31 0.00 0.00 61.69 59.72 1zt1 s THR 71 Cb -0.01 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 1zt1 s THR 71 CO 0.03 -0.83 1.24 -2.16 -0.69 0.00 0.00 174.62 172.21 1zt1 s PRO 72 N 0.98 2.83 0.04 4.92 0.04 -1.26 -4.78 135.00 137.76 1zt1 s PRO 72 Ca 0.09 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 1zt1 s PRO 72 Cb -0.23 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1zt1 s PRO 72 CO -0.02 -1.35 -0.03 0.95 0.04 0.00 0.00 177.00 176.59 1zt1 s THR 73 N -1.51 0.21 0.27 1.26 -4.23 -1.26 -2.29 115.64 108.08 1zt1 s THR 73 Ca 0.79 -1.62 -0.02 0.00 -1.18 0.00 0.00 61.69 59.66 1zt1 s THR 73 Cb -0.33 -1.26 0.27 0.00 1.34 0.00 0.00 72.50 72.52 1zt1 s THR 73 CO 0.36 -0.89 1.87 -0.08 -0.54 0.00 0.00 174.62 175.34 1zt1 h GLU 74 N 3.47 1.11 0.16 3.99 4.81 -1.98 -2.95 114.58 123.19 1zt1 h GLU 74 Ca -0.34 -0.07 -0.31 0.00 -0.13 0.00 0.00 59.36 58.52 1zt1 h GLU 74 Cb 1.16 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.29 1zt1 h GLU 74 CO 0.61 0.74 -1.49 1.79 -0.73 0.00 0.00 179.01 179.92 1zt1 h THR 75 N 1.14 1.22 -3.61 0.32 1.35 -2.03 -3.47 112.91 107.84 1zt1 h THR 75 Ca 0.44 -2.80 -0.52 0.00 -0.55 0.00 0.00 66.41 62.98 1zt1 h THR 75 Cb 0.21 2.85 0.04 0.00 -1.73 0.00 0.00 68.15 69.52 1zt1 h THR 75 CO -0.19 0.84 0.60 -1.81 -0.25 0.00 0.00 175.52 174.72 1zt1 s ASP 76 N -7.17 6.96 0.27 5.36 1.11 -1.12 -5.05 116.67 117.03 1zt1 s ASP 76 Ca -0.09 2.44 0.09 0.00 0.18 0.00 0.00 52.55 55.16 1zt1 s ASP 76 Cb 0.06 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1zt1 s ASP 76 CO 0.88 -0.44 0.08 0.42 1.18 0.00 0.00 175.17 177.29 1zt1 s THR 77 N -0.49 3.77 0.05 -1.27 -4.23 -1.26 -4.66 115.64 107.55 1zt1 s THR 77 Ca 0.52 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1zt1 s THR 77 Cb -0.36 -3.05 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 1zt1 s THR 77 CO 0.43 -0.35 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.80 1zt1 s TYR 78 N -2.27 0.54 0.32 3.99 1.51 -1.26 -2.23 117.35 117.95 1zt1 s TYR 78 Ca 0.32 -0.83 -0.16 0.00 -1.01 0.00 0.00 57.07 55.40 1zt1 s TYR 78 Cb -0.07 -0.36 0.03 0.00 -0.11 0.00 0.00 41.96 41.45 1zt1 s TYR 78 CO 0.22 -0.25 0.68 0.00 -1.11 0.00 0.00 175.55 175.09 1zt1 s ALA 79 N -2.90 -0.71 -0.13 3.71 0.00 -1.22 -1.08 121.76 119.44 1zt1 s ALA 79 Ca -0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1zt1 s ALA 79 Cb 0.00 0.85 0.05 0.00 0.00 0.00 0.00 23.12 24.02 1zt1 s ALA 79 CO -0.05 -0.97 0.04 0.00 0.00 0.00 0.00 175.76 174.78 1zt1 s ARG 81 N 2.01 3.89 -0.06 0.00 0.52 -1.06 -2.17 118.95 122.08 1zt1 s ARG 81 Ca 0.03 -0.32 0.06 0.00 -0.52 0.00 0.00 55.73 54.97 1zt1 s ARG 81 Cb -0.15 -3.20 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 1zt1 s ARG 81 CO -0.07 0.35 -0.24 0.08 0.02 0.00 0.00 175.30 175.44 1zt1 s VAL 82 N 0.17 2.10 -0.40 3.52 1.01 -1.09 -2.01 120.40 123.69 1zt1 s VAL 82 Ca 0.05 -1.05 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 1zt1 s VAL 82 Cb -0.12 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1zt1 s VAL 82 CO 0.00 0.57 0.28 -0.54 0.00 0.00 0.00 175.10 175.41 1zt1 s LYS 83 N -0.14 2.94 0.03 2.72 1.02 -0.70 -3.48 119.74 122.13 1zt1 s LYS 83 Ca -0.04 -1.03 -0.06 0.00 0.02 0.00 0.00 55.97 54.86 1zt1 s LYS 83 Cb -0.14 -3.93 -0.01 0.00 -0.52 0.00 0.00 37.83 33.23 1zt1 s LYS 83 CO 0.04 -0.74 0.10 -1.58 -0.92 0.00 0.00 175.35 172.26 1zt1 s HIS 84 N 1.66 0.15 -0.52 3.18 2.46 -1.26 -3.11 115.29 117.85 1zt1 s HIS 84 Ca 0.04 -0.39 0.25 0.00 0.47 0.00 0.00 55.06 55.43 1zt1 s HIS 84 Cb -0.19 -0.11 0.94 0.00 -0.13 0.00 0.00 32.58 33.09 1zt1 s HIS 84 CO 0.09 -0.34 1.75 0.22 -2.47 0.00 0.00 174.74 173.99 1zt1 h ASP 85 N 3.88 0.00 1.68 9.88 -0.00 -1.93 -3.09 116.42 126.84 1zt1 h ASP 85 Ca -0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.67 1zt1 h ASP 85 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.51 1zt1 h ASP 85 CO 0.47 0.00 -0.17 0.77 -0.00 0.00 0.00 179.24 180.31 1zt1 h SER 86 N 0.00 0.00 -2.19 2.28 4.64 -1.88 -3.46 113.55 112.93 1zt1 h SER 86 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 1zt1 h SER 86 Cb 0.50 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.62 1zt1 h SER 86 CO 0.00 0.17 -0.16 -0.04 -0.87 0.00 0.00 176.83 175.94 1zt1 s MET 87 N -3.21 2.84 -0.12 4.77 -1.94 -1.17 -4.99 119.30 115.48 1zt1 s MET 87 Ca 0.05 -0.86 -0.16 0.00 -1.71 0.00 0.00 55.69 53.01 1zt1 s MET 87 Cb 0.07 -2.63 -0.14 0.00 2.01 0.00 0.00 34.83 34.14 1zt1 s MET 87 CO 0.68 -0.37 0.41 0.00 -0.01 0.00 0.00 175.02 175.73 1zt1 h ALA 88 N 0.43 0.00 -2.24 3.03 0.00 -1.90 -3.49 119.26 115.09 1zt1 h ALA 88 Ca -0.43 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 53.97 1zt1 h ALA 88 Cb 1.27 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 1zt1 h ALA 88 CO 0.52 0.02 -0.70 -1.21 0.00 0.00 0.00 179.25 177.88 1zt1 s GLU 89 N -1.93 0.82 0.06 0.00 2.02 -1.26 -5.09 118.70 113.31 1zt1 s GLU 89 Ca -0.11 -1.32 -0.37 0.00 0.02 0.00 0.00 54.97 53.19 1zt1 s GLU 89 Cb -0.01 -0.18 -0.18 0.00 0.10 0.00 0.00 34.13 33.85 1zt1 s GLU 89 CO 0.38 -0.02 1.10 -2.30 0.02 0.00 0.00 175.26 174.43 1zt1 n PRO 90 N -0.02 0.40 -3.56 0.39 -0.02 -1.26 -4.95 135.00 125.98 1zt1 n PRO 90 Ca -0.12 0.14 -0.37 0.00 -2.02 0.00 0.00 63.50 61.13 1zt1 n PRO 90 Cb 0.61 -1.63 -0.08 0.00 -0.02 0.00 0.00 33.50 32.37 1zt1 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1zt1 s LYS 91 N -0.01 4.17 -0.13 -0.52 2.20 -1.23 -4.89 119.74 119.33 1zt1 s LYS 91 Ca 0.85 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 1zt1 s LYS 91 Cb -1.12 -3.49 -0.01 0.00 -1.51 0.00 0.00 37.83 31.70 1zt1 s LYS 91 CO 0.54 0.11 -0.14 0.99 -0.36 0.00 0.00 175.35 176.49 1zt1 s THR 92 N 0.89 2.92 -0.14 3.43 2.01 -1.26 -2.68 115.64 120.81 1zt1 s THR 92 Ca 0.13 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 1zt1 s THR 92 Cb -0.13 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 70.19 1zt1 s THR 92 CO 0.04 0.52 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.74 1zt1 s VAL 93 N 0.43 1.07 0.40 3.82 1.01 -0.92 -5.00 120.40 121.20 1zt1 s VAL 93 Ca -0.11 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1zt1 s VAL 93 Cb -0.16 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.99 1zt1 s VAL 93 CO 0.05 0.25 0.76 -0.31 0.00 0.00 0.00 175.10 175.85 1zt1 s TYR 94 N 1.67 3.47 -0.37 5.22 1.51 -1.26 -1.80 117.35 125.79 1zt1 s TYR 94 Ca 0.03 1.03 -0.28 0.00 -1.01 0.00 0.00 57.07 56.83 1zt1 s TYR 94 Cb -0.14 -2.43 -0.01 0.00 -0.11 0.00 0.00 41.96 39.27 1zt1 s TYR 94 CO -0.08 -0.10 1.63 -0.46 -1.11 0.00 0.00 175.55 175.43 1zt1 s TRP 95 N -2.37 2.06 -0.63 2.71 -0.00 -0.24 -4.87 118.94 115.59 1zt1 s TRP 95 Ca 0.51 0.64 -0.21 0.00 -0.00 0.00 0.00 56.10 57.03 1zt1 s TRP 95 Cb -0.10 -4.21 0.08 0.00 -0.00 0.00 0.00 33.47 29.23 1zt1 s TRP 95 CO 0.31 -2.53 0.88 0.34 -0.00 0.00 0.00 176.95 175.96 1zt1 s ASP 96 N 5.19 6.18 -0.05 5.86 -1.08 -1.26 -4.81 116.67 126.70 1zt1 s ASP 96 Ca 0.71 -1.10 -0.08 0.00 -0.52 0.00 0.00 52.55 51.57 1zt1 s ASP 96 Cb -0.18 -2.38 -0.29 0.00 -1.46 0.00 0.00 42.92 38.60 1zt1 s ASP 96 CO 0.33 -1.33 0.67 0.08 0.52 0.00 0.00 175.17 175.44 1zt1 h ARG 97 N 9.44 0.33 -0.02 4.34 0.11 -1.94 -3.24 114.38 123.40 1zt1 h ARG 97 Ca -0.29 -0.56 0.01 0.00 0.10 0.00 0.00 59.98 59.23 1zt1 h ARG 97 Cb 1.08 0.21 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 1zt1 h ARG 97 CO 1.15 1.23 0.42 -0.44 0.10 0.00 0.00 179.97 182.42 1zt1 h ASP 98 N 0.09 0.00 0.00 0.08 3.32 -2.00 -3.47 116.42 114.43 1zt1 h ASP 98 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1zt1 h ASP 98 Cb 2.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.62 1zt1 h ASP 98 CO 0.16 0.00 0.00 0.80 -1.72 0.00 0.00 179.24 178.48