#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zdx s GLN 26 N 0.00 0.44 0.00 1.61 2.00 -1.26 -3.32 119.66 119.13 1zdx s GLN 26 Ca 0.00 0.31 0.00 0.00 -2.00 0.00 0.00 55.36 53.67 1zdx s GLN 26 Cb 0.00 -0.19 0.00 0.00 0.80 0.00 0.00 33.01 33.62 1zdx s GLN 26 CO 0.00 -0.95 0.45 -0.85 -0.50 0.00 0.00 175.29 173.44 1zdx n GLU 27 N 5.37 0.00 -3.71 1.67 0.28 0.05 -4.95 120.64 119.35 1zdx n GLU 27 Ca 0.01 -0.32 -0.12 0.00 -0.16 0.00 0.00 57.16 56.57 1zdx n GLU 27 Cb 0.50 -0.22 -0.11 0.00 1.43 0.00 0.00 31.44 33.05 1zdx n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1zdx s LEU 28 N 0.00 0.15 0.83 -1.84 1.43 -0.48 -5.00 118.68 113.76 1zdx s LEU 28 Ca 0.00 0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 53.83 1zdx s LEU 28 Cb 0.00 1.34 0.09 0.00 0.03 0.00 0.00 46.19 47.65 1zdx s LEU 28 CO 0.00 -0.17 1.10 -2.16 0.23 0.00 0.00 176.35 175.34 1zdx s PRO 29 N 0.91 1.80 0.90 1.29 0.04 -1.26 -4.59 135.00 134.09 1zdx s PRO 29 Ca -0.06 0.71 -0.12 0.00 0.04 0.00 0.00 61.00 61.57 1zdx s PRO 29 Cb -0.06 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.73 1zdx s PRO 29 CO -0.07 -1.83 1.14 -1.25 0.04 0.00 0.00 177.00 175.02 1zdx s PRO 30 N -5.08 1.26 0.00 0.56 0.04 -1.26 -4.96 135.00 125.57 1zdx s PRO 30 Ca 0.62 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1zdx s PRO 30 Cb -0.16 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1zdx s PRO 30 CO 0.55 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.89 1zdx n GLY 31 N -2.30 -0.32 3.29 0.56 0.00 -1.26 -5.07 105.19 100.09 1zdx n GLY 31 Ca 0.07 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 1zdx n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1zdx s THR 32 N -3.61 0.51 0.34 2.61 -1.32 -1.26 -1.99 115.64 110.92 1zdx s THR 32 Ca 0.00 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.55 1zdx s THR 32 Cb 0.00 -2.54 -0.03 0.00 -1.51 0.00 0.00 72.50 68.42 1zdx s THR 32 CO 0.00 -0.08 0.26 -0.72 -2.21 0.00 0.00 174.62 171.87 1zdx s TYR 33 N -3.78 1.76 -0.15 9.09 -0.85 -1.26 -4.97 117.35 117.19 1zdx s TYR 33 Ca 0.36 -1.62 -0.03 0.00 -0.52 0.00 0.00 57.07 55.26 1zdx s TYR 33 Cb 0.07 -0.78 0.05 0.00 0.38 0.00 0.00 41.96 41.69 1zdx s TYR 33 CO 0.12 -0.80 0.05 0.50 -1.52 0.00 0.00 175.55 173.90 1zdx s ARG 34 N -3.48 0.38 0.22 -3.49 3.00 -1.26 -2.59 118.95 111.73 1zdx s ARG 34 Ca 0.38 -0.14 -0.04 0.00 -1.00 0.00 0.00 55.73 54.92 1zdx s ARG 34 Cb 0.02 -1.67 0.02 0.00 0.00 0.00 0.00 34.95 33.32 1zdx s ARG 34 CO 0.26 -0.56 0.37 1.33 0.00 0.00 0.00 175.30 176.69 1zdx n VAL 35 N 5.17 0.00 -3.95 7.11 0.24 -0.90 -4.89 118.33 121.10 1zdx n VAL 35 Ca -0.07 -0.87 -0.35 0.00 -2.04 0.00 0.00 64.34 61.00 1zdx n VAL 35 Cb 0.49 0.63 -0.14 0.00 -1.47 0.00 0.00 33.84 33.35 1zdx n VAL 35 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1zdx s ASP 36 N -2.28 4.28 -0.09 -1.34 -0.00 -0.95 -2.23 116.67 114.07 1zdx s ASP 36 Ca 0.14 -0.39 -0.29 0.00 -0.00 0.00 0.00 52.55 52.01 1zdx s ASP 36 Cb -0.02 -1.73 -0.05 0.00 -0.00 0.00 0.00 42.92 41.12 1zdx s ASP 36 CO 0.10 -0.01 1.71 -0.63 -0.00 0.00 0.00 175.17 176.35 1zdx s ILE 37 N 1.41 3.51 -0.74 0.77 1.09 0.28 -0.99 121.20 126.52 1zdx s ILE 37 Ca 0.05 0.60 0.03 0.00 -1.10 0.00 0.00 60.65 60.23 1zdx s ILE 37 Cb -0.14 -3.43 0.18 0.00 -1.06 0.00 0.00 42.46 38.01 1zdx s ILE 37 CO -0.03 -0.10 0.55 -0.31 -0.10 0.00 0.00 174.94 174.95 1zdx s TYR 38 N 4.55 3.63 0.02 3.97 1.51 0.17 -0.94 117.35 130.26 1zdx s TYR 38 Ca 0.76 -3.22 -0.30 0.00 -1.01 0.00 0.00 57.07 53.30 1zdx s TYR 38 Cb -0.33 -2.89 -0.03 0.00 -0.11 0.00 0.00 41.96 38.60 1zdx s TYR 38 CO 0.31 -0.63 0.98 -1.17 -1.11 0.00 0.00 175.55 173.94 1zdx s LEU 39 N -1.28 4.39 -1.80 -1.29 2.96 -1.25 -1.27 118.68 119.15 1zdx s LEU 39 Ca 0.25 1.69 -0.20 0.00 -0.22 0.00 0.00 54.13 55.64 1zdx s LEU 39 Cb -0.08 -3.57 0.19 0.00 0.50 0.00 0.00 46.19 43.23 1zdx s LEU 39 CO -0.14 -0.24 0.60 0.59 -1.32 0.00 0.00 176.35 175.84 1zdx n ASN 40 N 3.74 -1.97 -0.88 3.68 3.02 0.56 -0.93 115.26 122.48 1zdx n ASN 40 Ca 0.06 -1.18 -0.11 0.00 -0.03 0.00 0.00 54.58 53.31 1zdx n ASN 40 Cb 0.51 -1.96 -0.05 0.00 -0.61 0.00 0.00 39.78 37.67 1zdx n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1zdx n ASN 41 N -2.57 -4.33 -0.08 6.41 3.02 -1.20 -4.95 115.26 111.57 1zdx n ASN 41 Ca 0.06 0.27 0.01 0.00 -0.03 0.00 0.00 54.58 54.88 1zdx n ASN 41 Cb 0.49 -2.86 0.01 0.00 -0.61 0.00 0.00 39.78 36.81 1zdx n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zdx n GLY 42 N -1.57 -1.15 2.37 7.41 0.00 -0.11 -5.04 105.19 107.09 1zdx n GLY 42 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1zdx n GLY 42 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1zdx n TYR 43 N 0.05 -4.89 -0.11 1.61 9.36 -1.26 -4.89 117.16 117.03 1zdx n TYR 43 Ca 0.01 2.91 -0.21 0.00 3.32 0.00 0.00 57.90 63.93 1zdx n TYR 43 Cb 0.05 -3.86 -0.07 0.00 -0.63 0.00 0.00 39.34 34.83 1zdx n TYR 43 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1zdx n MET 44 N 1.86 0.51 -3.60 2.98 2.81 -0.11 -4.88 117.12 116.70 1zdx n MET 44 Ca 0.00 0.22 -0.11 0.00 -1.81 0.00 0.00 57.70 56.00 1zdx n MET 44 Cb 0.00 -1.37 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 1zdx n MET 44 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1zdx s ALA 45 N -2.58 -1.06 -0.13 3.04 0.00 -1.25 -5.04 121.76 114.75 1zdx s ALA 45 Ca -0.32 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1zdx s ALA 45 Cb 0.10 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.95 1zdx s ALA 45 CO 0.42 -0.65 -0.06 0.99 0.00 0.00 0.00 175.76 176.46 1zdx s THR 46 N -3.67 1.01 0.25 0.00 2.01 -1.26 -0.56 115.64 113.43 1zdx s THR 46 Ca 0.02 -0.39 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 1zdx s THR 46 Cb 0.01 -1.10 0.07 0.00 0.01 0.00 0.00 72.50 71.49 1zdx s THR 46 CO -0.11 0.27 0.95 0.00 -0.69 0.00 0.00 174.62 175.04 1zdx s ARG 47 N 1.70 1.62 0.03 4.92 1.70 -0.95 -5.01 118.95 122.95 1zdx s ARG 47 Ca 0.03 -1.03 -0.20 0.00 -0.47 0.00 0.00 55.73 54.06 1zdx s ARG 47 Cb -0.13 0.46 -0.06 0.00 -0.57 0.00 0.00 34.95 34.64 1zdx s ARG 47 CO -0.08 -0.76 0.59 -0.51 -1.08 0.00 0.00 175.30 173.47 1zdx s ASP 48 N -3.27 7.02 -0.45 -2.89 1.11 -1.26 -2.13 116.67 114.80 1zdx s ASP 48 Ca 0.19 1.22 0.02 0.00 0.18 0.00 0.00 52.55 54.16 1zdx s ASP 48 Cb -0.03 -2.37 0.14 0.00 1.07 0.00 0.00 42.92 41.72 1zdx s ASP 48 CO 0.07 0.16 0.25 -0.69 1.18 0.00 0.00 175.17 176.15 1zdx s VAL 49 N -0.54 1.51 -0.11 -1.27 1.01 -1.07 -4.95 120.40 114.98 1zdx s VAL 49 Ca 0.31 -2.66 -0.29 0.00 0.00 0.00 0.00 61.98 59.33 1zdx s VAL 49 Cb -0.19 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.07 1zdx s VAL 49 CO 0.18 -0.90 2.13 0.41 0.00 0.00 0.00 175.10 176.92 1zdx n THR 50 N 3.45 0.52 -2.71 3.92 -1.04 -1.26 -4.09 114.28 113.07 1zdx n THR 50 Ca 0.09 -0.33 -0.23 0.00 -2.04 0.00 0.00 64.05 61.53 1zdx n THR 50 Cb 0.35 -2.48 0.03 0.00 -1.82 0.00 0.00 70.33 66.41 1zdx n THR 50 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1zdx s PHE 51 N 6.77 3.12 0.37 -1.42 -0.71 -0.84 -0.77 117.98 124.50 1zdx s PHE 51 Ca 0.96 0.28 0.05 0.00 -1.04 0.00 0.00 56.93 57.18 1zdx s PHE 51 Cb -0.37 -2.58 -0.06 0.00 -1.21 0.00 0.00 43.02 38.79 1zdx s PHE 51 CO 0.38 -0.67 0.04 -0.80 -1.34 0.00 0.00 175.22 172.83 1zdx s ASN 52 N -4.31 3.05 0.36 1.98 0.02 0.00 -4.01 114.94 112.02 1zdx s ASN 52 Ca 0.53 -1.41 -0.28 0.00 -1.02 0.00 0.00 52.86 50.67 1zdx s ASN 52 Cb -0.10 -0.13 -0.11 0.00 0.02 0.00 0.00 41.25 40.92 1zdx s ASN 52 CO 0.40 -0.58 1.48 0.41 0.02 0.00 0.00 177.10 178.83 1zdx n THR 53 N -0.84 1.80 -3.57 1.60 -1.04 -1.26 -1.05 114.28 109.92 1zdx n THR 53 Ca -0.04 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.05 61.39 1zdx n THR 53 Cb 0.67 -1.91 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 1zdx n THR 53 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1zdx s GLY 54 N -0.03 -0.37 -0.96 3.41 0.00 -1.20 -4.57 107.32 103.59 1zdx s GLY 54 Ca 0.56 1.89 -0.24 0.00 0.00 0.00 0.00 44.72 46.93 1zdx s GLY 54 CO 0.61 1.17 1.47 -0.35 0.00 0.00 0.00 173.10 176.00 1zdx s ASP 55 N -0.84 6.33 0.13 1.64 -1.08 -1.26 -2.25 116.67 119.34 1zdx s ASP 55 Ca -0.04 -1.22 -0.01 0.00 -0.52 0.00 0.00 52.55 50.76 1zdx s ASP 55 Cb -0.01 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.89 1zdx s ASP 55 CO 0.03 -1.67 0.20 -1.20 0.52 0.00 0.00 175.17 173.06 1zdx n SER 56 N 9.41 -0.56 -0.20 -0.34 7.64 -1.26 -4.96 113.62 123.34 1zdx n SER 56 Ca 0.29 -1.70 -0.08 0.00 1.01 0.00 0.00 58.87 58.40 1zdx n SER 56 Cb 0.50 1.02 -0.03 0.00 -1.01 0.00 0.00 64.21 64.70 1zdx n SER 56 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1zdx h GLU 57 N 0.00 -0.21 0.00 1.43 5.08 -1.88 0.15 114.58 119.14 1zdx h GLU 57 Ca -0.11 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1zdx h GLU 57 Cb 0.45 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1zdx h GLU 57 CO 0.14 -0.14 -0.20 1.96 -1.00 0.00 0.00 179.01 179.77 1zdx h GLN 58 N -0.22 0.00 0.00 2.33 7.50 -1.93 -0.47 115.11 122.33 1zdx h GLN 58 Ca 0.19 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.34 1zdx h GLN 58 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.09 1zdx h GLN 58 CO -0.68 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.06 1zdx n GLY 59 N 1.24 0.93 3.19 3.46 0.00 -0.41 -0.77 105.19 112.83 1zdx n GLY 59 Ca 0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1zdx n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1zdx s ILE 60 N -2.00 0.10 0.02 -0.61 -4.36 -0.95 -3.23 121.20 110.16 1zdx s ILE 60 Ca 0.00 -0.85 0.03 0.00 -0.26 0.00 0.00 60.65 59.56 1zdx s ILE 60 Cb 0.00 -0.89 -0.01 0.00 1.25 0.00 0.00 42.46 42.81 1zdx s ILE 60 CO 0.00 -0.47 -0.08 0.68 0.24 0.00 0.00 174.94 175.31 1zdx s VAL 61 N -2.49 0.62 0.80 8.37 -7.23 -0.22 -4.65 120.40 115.60 1zdx s VAL 61 Ca -0.06 -0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 59.35 1zdx s VAL 61 Cb -0.01 -0.58 0.08 0.00 0.56 0.00 0.00 36.38 36.43 1zdx s VAL 61 CO -0.03 -0.04 1.16 -2.16 -0.31 0.00 0.00 175.10 173.71 1zdx s PRO 62 N -0.75 1.80 -0.28 4.82 0.04 -1.26 -0.82 135.00 138.55 1zdx s PRO 62 Ca -0.01 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 1zdx s PRO 62 Cb -0.06 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1zdx s PRO 62 CO 0.00 -2.05 1.11 0.00 0.04 0.00 0.00 177.00 176.10 1zdx s LEU 64 N 3.61 1.53 0.40 0.00 1.43 -1.26 -4.75 118.68 119.63 1zdx s LEU 64 Ca 0.47 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.29 1zdx s LEU 64 Cb -0.14 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 1zdx s LEU 64 CO 0.14 -0.03 0.44 0.42 0.23 0.00 0.00 176.35 177.55 1zdx s THR 65 N 1.15 3.07 0.25 5.49 -4.23 -1.24 -1.27 115.64 118.87 1zdx s THR 65 Ca -0.05 -1.20 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 1zdx s THR 65 Cb -0.14 -3.08 0.23 0.00 1.34 0.00 0.00 72.50 70.85 1zdx s THR 65 CO -0.03 -0.05 1.82 0.03 -0.54 0.00 0.00 174.62 175.86 1zdx h ARG 66 N 0.92 0.85 0.50 3.99 2.47 -1.69 -0.72 114.38 120.70 1zdx h ARG 66 Ca -0.42 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.23 1zdx h ARG 66 Cb 1.27 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1zdx h ARG 66 CO 0.53 0.56 -0.34 0.00 0.56 0.00 0.00 179.97 181.29 1zdx h ALA 67 N 1.47 -1.13 -0.65 0.04 0.00 -1.83 -2.40 119.26 114.76 1zdx h ALA 67 Ca 0.42 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.29 1zdx h ALA 67 Cb 0.36 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.54 1zdx h ALA 67 CO -0.24 -1.11 0.18 1.96 0.00 0.00 0.00 179.25 180.04 1zdx h GLN 68 N -0.79 0.31 0.30 0.00 1.08 -1.62 0.35 115.11 114.74 1zdx h GLN 68 Ca -0.07 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1zdx h GLN 68 Cb 0.64 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1zdx h GLN 68 CO 0.05 0.21 -0.14 -0.07 -0.95 0.00 0.00 178.83 177.92 1zdx h LEU 69 N 0.32 -0.34 -2.19 1.46 3.38 -1.23 -1.99 115.31 114.73 1zdx h LEU 69 Ca 0.34 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.21 1zdx h LEU 69 Cb 0.51 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1zdx h LEU 69 CO -0.40 -0.02 0.15 0.00 0.09 0.00 0.00 178.44 178.26 1zdx h ALA 70 N -0.07 1.90 0.00 1.53 0.00 -0.85 -0.37 119.26 121.41 1zdx h ALA 70 Ca -0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1zdx h ALA 70 Cb 0.47 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1zdx h ALA 70 CO 0.07 -0.23 -0.57 0.77 0.00 0.00 0.00 179.25 179.29 1zdx h SER 71 N 0.00 0.00 1.14 0.00 0.02 0.25 -0.83 113.55 114.12 1zdx h SER 71 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1zdx h SER 71 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1zdx h SER 71 CO -0.00 0.57 0.00 0.24 -1.14 0.00 0.00 176.83 176.50 1zdx h MET 72 N 0.00 0.00 0.00 3.45 2.86 -0.50 -3.38 114.93 117.35 1zdx h MET 72 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1zdx h MET 72 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1zdx h MET 72 CO 0.07 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.45 1zdx n GLY 73 N 0.20 1.05 3.64 8.32 0.00 -0.32 -1.49 105.19 116.58 1zdx n GLY 73 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 1zdx n GLY 73 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1zdx n LEU 74 N 0.00 2.55 -4.58 0.99 0.00 -0.27 -2.52 117.00 113.17 1zdx n LEU 74 Ca 0.00 1.15 -0.42 0.00 0.00 0.00 0.00 56.01 56.74 1zdx n LEU 74 Cb 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 43.42 42.04 1zdx n LEU 74 CO 0.00 -0.80 1.11 0.21 0.00 0.00 0.00 177.39 177.91 1zdx s ASN 75 N 0.11 6.39 0.42 1.96 2.47 -0.63 -4.24 114.94 121.43 1zdx s ASN 75 Ca 0.68 0.07 0.08 0.00 0.42 0.00 0.00 52.86 54.11 1zdx s ASN 75 Cb -0.71 -2.55 0.89 0.00 -1.45 0.00 0.00 41.25 37.42 1zdx s ASN 75 CO 0.52 -1.54 2.06 0.71 -3.72 0.00 0.00 177.10 175.13 1zdx h THR 76 N 6.17 1.10 0.00 -5.21 1.35 -1.91 -2.77 112.91 111.63 1zdx h THR 76 Ca -0.25 -0.18 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 1zdx h THR 76 Cb 1.06 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1zdx h THR 76 CO 1.20 0.10 -0.08 0.00 -0.25 0.00 0.00 175.52 176.48 1zdx h ALA 77 N 1.76 0.99 0.00 6.62 0.00 -1.97 -1.17 119.26 125.50 1zdx h ALA 77 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1zdx h ALA 77 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1zdx h ALA 77 CO -0.03 0.10 0.00 0.43 0.00 0.00 0.00 179.25 179.75 1zdx n SER 78 N -3.18 0.00 -4.03 0.00 7.64 -1.04 -4.52 113.62 108.49 1zdx n SER 78 Ca 0.01 0.02 -0.31 0.00 1.01 0.00 0.00 58.87 59.59 1zdx n SER 78 Cb 0.39 -0.25 -0.15 0.00 -1.01 0.00 0.00 64.21 63.19 1zdx n SER 78 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1zdx s VAL 79 N -2.50 1.98 -0.17 0.44 1.01 -0.44 -4.93 120.40 115.79 1zdx s VAL 79 Ca 0.14 -1.55 -0.33 0.00 0.00 0.00 0.00 61.98 60.25 1zdx s VAL 79 Cb 0.10 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 34.23 1zdx s VAL 79 CO 0.21 -0.08 2.04 0.00 0.00 0.00 0.00 175.10 177.27 1zdx n ALA 80 N 4.50 1.19 -0.18 5.51 0.00 -1.26 -1.96 120.51 128.29 1zdx n ALA 80 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1zdx n ALA 80 Cb 0.43 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1zdx n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zdx n GLY 81 N 5.24 0.80 0.11 0.00 0.00 -1.26 -4.98 105.19 105.10 1zdx n GLY 81 Ca 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.15 1zdx n GLY 81 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1zdx n MET 82 N -2.12 0.70 0.00 1.61 0.00 -0.83 -4.51 117.12 111.97 1zdx n MET 82 Ca 0.00 0.24 0.05 0.00 0.00 0.00 0.00 57.70 57.99 1zdx n MET 82 Cb 0.00 -1.70 0.32 0.00 0.00 0.00 0.00 33.22 31.83 1zdx n MET 82 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1zdx n ASN 83 N -3.23 0.00 0.00 6.12 3.02 -1.26 -1.78 115.26 118.12 1zdx n ASN 83 Ca -0.28 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1zdx n ASN 83 Cb 1.05 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 1zdx n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1zdx n LEU 84 N -0.96 0.50 -4.85 3.41 -0.00 -1.26 -5.06 117.00 108.78 1zdx n LEU 84 Ca 0.08 -0.58 -0.32 0.00 -0.00 0.00 0.00 56.01 55.19 1zdx n LEU 84 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1zdx n LEU 84 CO 0.06 0.12 0.70 -0.76 -0.00 0.00 0.00 177.39 177.51 1zdx s LEU 85 N -0.34 3.49 0.46 1.47 1.43 -0.74 -5.03 118.68 119.42 1zdx s LEU 85 Ca 0.00 1.55 -0.23 0.00 -1.03 0.00 0.00 54.13 54.41 1zdx s LEU 85 Cb 0.00 -4.50 -0.07 0.00 0.03 0.00 0.00 46.19 41.65 1zdx s LEU 85 CO 0.00 -0.73 1.21 0.00 0.23 0.00 0.00 176.35 177.06 1zdx s ALA 86 N -2.78 2.99 -2.00 4.21 0.00 -1.26 -4.82 121.76 118.11 1zdx s ALA 86 Ca 0.58 1.03 0.10 0.00 0.00 0.00 0.00 51.96 53.68 1zdx s ALA 86 Cb -0.11 -3.42 0.62 0.00 0.00 0.00 0.00 23.12 20.21 1zdx s ALA 86 CO 0.39 -0.78 1.06 -0.40 0.00 0.00 0.00 175.76 176.03 1zdx n ASP 87 N -0.46 0.00 -2.56 0.00 3.85 -1.26 -1.19 116.55 114.94 1zdx n ASP 87 Ca 0.07 -0.32 -0.03 0.00 -0.71 0.00 0.00 54.79 53.80 1zdx n ASP 87 Cb 0.47 -0.00 0.05 0.00 -1.35 0.00 0.00 41.12 40.28 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1zdx n ASP 88 N -1.00 1.95 -4.88 -1.12 4.64 -1.26 -3.58 116.55 111.30 1zdx n ASP 88 Ca 0.08 -2.28 -0.30 0.00 -1.38 0.00 0.00 54.79 50.91 1zdx n ASP 88 Cb 0.04 -0.44 -0.04 0.00 -1.04 0.00 0.00 41.12 39.64 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1zdx s ALA 89 N -3.38 3.43 -0.98 -1.67 0.00 -0.33 -5.00 121.76 113.82 1zdx s ALA 89 Ca 0.31 -0.27 -0.24 0.00 0.00 0.00 0.00 51.96 51.76 1zdx s ALA 89 Cb 0.34 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1zdx s ALA 89 CO -0.04 0.11 1.78 0.00 0.00 0.00 0.00 175.76 177.60 1zdx s VAL 91 N 8.27 2.64 -0.76 0.00 1.01 -0.39 -4.96 120.40 126.21 1zdx s VAL 91 Ca 0.62 0.64 -0.26 0.00 0.00 0.00 0.00 61.98 62.97 1zdx s VAL 91 Cb -0.04 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.96 1zdx s VAL 91 CO -0.02 0.15 1.41 -2.16 0.00 0.00 0.00 175.10 174.48 1zdx s PRO 92 N -1.86 3.14 0.00 2.72 0.04 -1.26 -4.58 135.00 133.19 1zdx s PRO 92 Ca 0.50 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1zdx s PRO 92 Cb -0.40 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 29.75 1zdx s PRO 92 CO 0.54 -2.28 0.76 -0.11 0.04 0.00 0.00 177.00 175.94 1zdx n LEU 93 N 9.96 0.00 0.00 -3.56 7.94 -1.26 -2.79 117.00 127.29 1zdx n LEU 93 Ca 0.11 0.88 0.12 0.00 -1.11 0.00 0.00 56.01 56.00 1zdx n LEU 93 Cb 0.50 -0.50 0.70 0.00 0.53 0.00 0.00 43.42 44.64 1zdx n LEU 93 CO 0.70 -0.50 0.91 0.35 -1.11 0.00 0.00 177.39 177.74 1zdx n THR 94 N -2.00 0.07 -0.07 1.96 -2.24 -1.26 0.04 114.28 110.78 1zdx n THR 94 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1zdx n THR 94 Cb 0.00 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1zdx n THR 94 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1zdx n THR 95 N -1.08 0.71 0.00 4.28 -1.04 -1.26 -4.41 114.28 111.48 1zdx n THR 95 Ca 0.16 -0.82 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1zdx n THR 95 Cb 0.11 0.66 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 1zdx n THR 95 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1zdx n MET 96 N -0.36 0.07 -4.65 -2.82 2.00 -0.35 -4.97 117.12 106.05 1zdx n MET 96 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.36 1zdx n MET 96 Cb 0.21 -0.99 -0.11 0.00 0.00 0.00 0.00 33.22 32.32 1zdx n MET 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1zdx s VAL 97 N -1.98 3.61 0.70 2.03 -7.23 0.11 -4.96 120.40 112.67 1zdx s VAL 97 Ca 0.00 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.52 1zdx s VAL 97 Cb 0.00 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.48 1zdx s VAL 97 CO 0.00 0.58 1.07 -1.58 -0.31 0.00 0.00 175.10 174.86 1zdx s GLN 98 N -0.87 2.79 0.00 4.82 2.00 -1.26 -4.52 119.66 122.62 1zdx s GLN 98 Ca 0.13 0.36 0.00 0.00 -2.00 0.00 0.00 55.36 53.85 1zdx s GLN 98 Cb -0.11 -2.05 0.00 0.00 0.80 0.00 0.00 33.01 31.65 1zdx s GLN 98 CO 0.02 -1.03 0.00 -3.47 -0.50 0.00 0.00 175.29 170.31 1zdx n ASP 99 N -2.97 0.00 -4.85 6.67 2.03 -1.26 -4.61 116.55 111.56 1zdx n ASP 99 Ca 0.07 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.07 1zdx n ASP 99 Cb 0.58 -0.76 0.02 0.00 -0.72 0.00 0.00 41.12 40.24 1zdx n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zdx s ALA 100 N -0.46 2.95 0.15 -1.67 0.00 -1.26 -4.60 121.76 116.86 1zdx s ALA 100 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 51.96 51.87 1zdx s ALA 100 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1zdx s ALA 100 CO 0.00 -0.85 0.25 0.95 0.00 0.00 0.00 175.76 176.11 1zdx s THR 101 N -3.09 0.09 -0.16 0.00 -4.23 -1.00 -4.84 115.64 102.39 1zdx s THR 101 Ca 0.56 -1.37 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1zdx s THR 101 Cb -0.12 -1.74 0.06 0.00 1.34 0.00 0.00 72.50 72.04 1zdx s THR 101 CO 0.53 -0.39 0.07 0.00 -0.54 0.00 0.00 174.62 174.29 1zdx s ALA 102 N -3.95 0.57 -0.15 3.99 0.00 -1.26 -2.06 121.76 118.90 1zdx s ALA 102 Ca 0.15 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.75 1zdx s ALA 102 Cb 0.04 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1zdx s ALA 102 CO -0.02 -1.10 -0.16 -1.58 0.00 0.00 0.00 175.76 172.90 1zdx s HIS 103 N 2.06 2.31 -0.58 0.00 5.04 0.02 -4.86 115.29 119.28 1zdx s HIS 103 Ca 0.02 -1.29 -0.28 0.00 -1.54 0.00 0.00 55.06 51.96 1zdx s HIS 103 Cb -0.16 -1.66 0.03 0.00 0.04 0.00 0.00 32.58 30.83 1zdx s HIS 103 CO -0.08 -0.68 1.23 -1.17 -2.34 0.00 0.00 174.74 171.70 1zdx s LEU 104 N 1.34 3.43 -0.89 8.88 2.96 -1.26 -0.66 118.68 132.49 1zdx s LEU 104 Ca 0.03 0.12 -0.24 0.00 -0.22 0.00 0.00 54.13 53.82 1zdx s LEU 104 Cb -0.13 -3.14 0.05 0.00 0.50 0.00 0.00 46.19 43.47 1zdx s LEU 104 CO -0.10 -1.53 1.33 -0.62 -1.32 0.00 0.00 176.35 174.12 1zdx s ASP 105 N 3.19 6.37 0.36 3.68 2.15 -0.29 -4.90 116.67 127.23 1zdx s ASP 105 Ca 0.44 -1.11 0.06 0.00 0.43 0.00 0.00 52.55 52.38 1zdx s ASP 105 Cb -0.08 -2.54 0.70 0.00 -0.30 0.00 0.00 42.92 40.69 1zdx s ASP 105 CO 0.25 -1.59 1.92 1.62 -0.17 0.00 0.00 175.17 177.20 1zdx h VAL 106 N 6.40 1.17 -0.02 1.11 3.04 -1.93 -0.42 116.25 125.59 1zdx h VAL 106 Ca -0.01 -0.66 -0.10 0.00 -1.01 0.00 0.00 66.70 64.92 1zdx h VAL 106 Cb 1.03 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1zdx h VAL 106 CO 1.34 0.23 -0.44 1.23 -1.01 0.00 0.00 177.57 178.92 1zdx h GLY 107 N 0.75 0.06 -1.05 3.17 0.00 -1.95 -2.22 103.07 101.83 1zdx h GLY 107 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1zdx h GLY 107 CO 0.01 0.05 0.00 -0.18 0.00 0.00 0.00 176.54 176.41 1zdx n GLN 108 N -4.01 2.88 -4.08 4.80 -0.06 -1.24 -5.00 117.38 110.68 1zdx n GLN 108 Ca -0.02 -2.00 -0.29 0.00 -2.00 0.00 0.00 57.00 52.69 1zdx n GLN 108 Cb 0.47 -1.26 -0.04 0.00 -4.06 0.00 0.00 30.24 25.35 1zdx n GLN 108 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1zdx n GLN 109 N 0.25 -2.07 -3.91 3.69 6.02 -0.71 -4.96 117.38 115.69 1zdx n GLN 109 Ca 0.10 0.27 -0.30 0.00 -0.01 0.00 0.00 57.00 57.06 1zdx n GLN 109 Cb 0.42 -4.00 -0.16 0.00 1.02 0.00 0.00 30.24 27.52 1zdx n GLN 109 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1zdx s ARG 110 N -6.89 1.46 -1.06 -1.09 3.52 -0.25 -2.23 118.95 112.40 1zdx s ARG 110 Ca 0.07 -0.97 -0.22 0.00 -0.13 0.00 0.00 55.73 54.47 1zdx s ARG 110 Cb -0.03 -2.53 0.05 0.00 -1.56 0.00 0.00 34.95 30.88 1zdx s ARG 110 CO 0.93 -0.64 1.51 -1.17 -0.81 0.00 0.00 175.30 175.12 1zdx s LEU 111 N 1.44 3.55 0.06 -0.88 2.96 -0.17 -1.14 118.68 124.49 1zdx s LEU 111 Ca -0.04 -1.60 -0.32 0.00 -0.22 0.00 0.00 54.13 51.95 1zdx s LEU 111 Cb -0.19 -2.57 -0.11 0.00 0.50 0.00 0.00 46.19 43.82 1zdx s LEU 111 CO -0.08 -1.49 1.84 0.59 -1.32 0.00 0.00 176.35 175.89 1zdx n ASN 112 N 8.95 3.77 -3.88 3.68 4.13 0.17 -0.65 115.26 131.42 1zdx n ASN 112 Ca 0.36 0.98 -0.12 0.00 1.68 0.00 0.00 54.58 57.49 1zdx n ASN 112 Cb 0.50 -1.48 -0.13 0.00 -1.54 0.00 0.00 39.78 37.13 1zdx n ASN 112 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1zdx s LEU 113 N 3.10 1.94 -0.01 3.41 0.20 -0.40 -0.80 118.68 126.13 1zdx s LEU 113 Ca 0.85 -0.03 -0.03 0.00 0.69 0.00 0.00 54.13 55.61 1zdx s LEU 113 Cb -0.56 0.11 -0.00 0.00 -0.43 0.00 0.00 46.19 45.31 1zdx s LEU 113 CO 0.42 -0.06 0.07 -0.89 -0.29 0.00 0.00 176.35 175.60 1zdx s THR 114 N -0.23 0.05 -0.04 3.68 2.01 -0.87 -0.32 115.64 119.91 1zdx s THR 114 Ca -0.03 -0.42 -0.03 0.00 0.31 0.00 0.00 61.69 61.53 1zdx s THR 114 Cb -0.02 -0.24 0.02 0.00 0.01 0.00 0.00 72.50 72.27 1zdx s THR 114 CO -0.00 -0.23 0.09 -0.63 -0.69 0.00 0.00 174.62 173.16 1zdx s ILE 115 N -0.72 -0.02 0.31 1.82 1.01 -1.26 -2.38 121.20 119.96 1zdx s ILE 115 Ca -0.08 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 1zdx s ILE 115 Cb -0.05 -0.15 -0.10 0.00 0.01 0.00 0.00 42.46 42.17 1zdx s ILE 115 CO 0.00 0.03 1.42 -2.16 0.00 0.00 0.00 174.94 174.22 1zdx s PRO 116 N 0.41 4.25 0.61 2.79 0.04 -1.26 -4.91 135.00 136.92 1zdx s PRO 116 Ca -0.03 2.36 0.30 0.00 0.04 0.00 0.00 61.00 63.67 1zdx s PRO 116 Cb -0.04 -3.06 1.67 0.00 0.04 0.00 0.00 34.50 33.11 1zdx s PRO 116 CO -0.02 -0.38 2.03 1.96 0.04 0.00 0.00 177.00 180.64 1zdx h GLN 117 N 3.95 0.00 -0.87 4.56 1.08 -1.99 -0.08 115.11 121.76 1zdx h GLN 117 Ca -0.48 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 56.86 1zdx h GLN 117 Cb 1.23 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.59 1zdx h GLN 117 CO 0.70 0.00 0.56 0.00 -0.95 0.00 0.00 178.83 179.15 1zdx h ALA 118 N 1.62 1.89 -0.97 3.87 0.00 -2.01 -1.91 119.26 121.74 1zdx h ALA 118 Ca 0.09 0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.40 1zdx h ALA 118 Cb 0.66 -0.11 -0.30 0.00 0.00 0.00 0.00 17.79 18.04 1zdx h ALA 118 CO -0.00 -0.12 0.72 1.19 0.00 0.00 0.00 179.25 181.04 1zdx n PHE 119 N -4.55 3.12 -3.61 0.00 3.01 -0.04 -4.80 117.46 110.59 1zdx n PHE 119 Ca 0.17 -2.66 -0.29 0.00 1.01 0.00 0.00 57.45 55.68 1zdx n PHE 119 Cb 0.48 -1.25 -0.15 0.00 -0.01 0.00 0.00 39.48 38.55 1zdx n PHE 119 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1zdx s MET 120 N -3.67 0.43 1.26 -1.08 -1.94 -0.72 -1.60 119.30 111.98 1zdx s MET 120 Ca 0.62 -0.82 -0.16 0.00 -1.71 0.00 0.00 55.69 53.61 1zdx s MET 120 Cb 0.50 -1.49 0.32 0.00 2.01 0.00 0.00 34.83 36.16 1zdx s MET 120 CO 0.02 -1.03 0.99 -1.12 -0.01 0.00 0.00 175.02 173.88 1zdx s SER 121 N 1.80 0.21 0.59 3.03 0.01 -1.05 -4.80 113.70 113.49 1zdx s SER 121 Ca 0.10 1.27 -0.20 0.00 1.31 0.00 0.00 55.95 58.43 1zdx s SER 121 Cb -0.17 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1zdx s SER 121 CO -0.29 -4.64 1.14 0.59 0.41 0.00 0.00 173.24 170.46 1zdx n ASN 122 N -5.19 1.58 -3.52 2.44 3.02 -1.26 -4.00 115.26 108.34 1zdx n ASN 122 Ca 0.06 0.87 -0.37 0.00 -0.03 0.00 0.00 54.58 55.10 1zdx n ASN 122 Cb 0.56 -1.47 0.03 0.00 -0.61 0.00 0.00 39.78 38.29 1zdx n ASN 122 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1zdx n ARG 123 N -1.14 -1.91 -1.61 3.52 5.12 -1.26 -4.87 116.66 114.51 1zdx n ARG 123 Ca 0.13 1.38 -0.47 0.00 -1.93 0.00 0.00 57.85 56.96 1zdx n ARG 123 Cb 0.46 -2.17 -0.05 0.00 -1.16 0.00 0.00 32.46 29.54 1zdx n ARG 123 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1zdx n ALA 124 N -0.43 1.16 1.27 7.54 0.00 -1.26 -4.76 120.51 124.03 1zdx n ALA 124 Ca -0.10 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1zdx n ALA 124 Cb 0.68 -2.61 0.33 0.00 0.00 0.00 0.00 19.45 17.85 1zdx n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04