#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 0.08 0.00 1.61 2.00 -1.26 -4.28 119.66 117.81 1zdx s GLN 26 Ca 0.00 0.47 0.00 0.00 -2.00 0.00 0.00 55.36 53.83 1zdx s GLN 26 Cb 0.00 -0.54 0.00 0.00 0.80 0.00 0.00 33.01 33.27 1zdx s GLN 26 CO 0.00 -0.40 0.60 -0.85 -0.50 0.00 0.00 175.29 174.14 1zdx n GLU 27 N 5.32 0.00 -3.28 1.67 0.28 -0.58 -4.96 120.64 119.10 1zdx n GLU 27 Ca -0.05 -0.57 -0.05 0.00 -0.16 0.00 0.00 57.16 56.33 1zdx n GLU 27 Cb 0.50 -0.42 -0.05 0.00 1.43 0.00 0.00 31.44 32.90 1zdx n GLU 27 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1zdx s LEU 28 N 0.00 -0.93 0.70 -1.84 2.96 -0.56 -5.02 118.68 113.99 1zdx s LEU 28 Ca 0.00 0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.99 1zdx s LEU 28 Cb 0.00 1.42 0.01 0.00 0.50 0.00 0.00 46.19 48.12 1zdx s LEU 28 CO 0.00 -0.31 1.06 -2.16 -1.32 0.00 0.00 176.35 173.63 1zdx s PRO 29 N 2.64 2.89 0.76 0.98 0.04 -1.26 -4.52 135.00 136.53 1zdx s PRO 29 Ca 0.13 0.93 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1zdx s PRO 29 Cb -0.14 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1zdx s PRO 29 CO -0.22 -1.13 1.11 -1.25 0.04 0.00 0.00 177.00 175.56 1zdx s PRO 30 N -5.05 2.24 0.00 0.56 0.04 -1.26 -4.97 135.00 126.56 1zdx s PRO 30 Ca 0.58 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1zdx s PRO 30 Cb -0.14 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1zdx s PRO 30 CO 0.55 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 176.33 1zdx n GLY 31 N -0.72 -0.62 3.12 0.56 0.00 -1.26 -5.08 105.19 101.20 1zdx n GLY 31 Ca 0.10 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.98 0.75 -0.00 2.61 -1.32 -1.26 -2.17 115.64 110.27 1zdx s THR 32 Ca 0.00 -1.39 0.01 0.00 -1.21 0.00 0.00 61.69 59.10 1zdx s THR 32 Cb 0.00 -1.03 -0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1zdx s THR 32 CO 0.00 -0.48 -0.02 -0.72 -2.21 0.00 0.00 174.62 171.19 1zdx s TYR 33 N -1.97 0.21 -0.52 9.09 -0.85 -0.86 -4.90 117.35 117.54 1zdx s TYR 33 Ca -0.02 -0.05 -0.22 0.00 -0.52 0.00 0.00 57.07 56.26 1zdx s TYR 33 Cb -0.06 -0.14 0.04 0.00 0.38 0.00 0.00 41.96 42.19 1zdx s TYR 33 CO -0.00 -0.01 0.82 0.50 -1.52 0.00 0.00 175.55 175.35 1zdx s ARG 34 N -0.08 3.28 0.20 -3.49 3.00 -1.26 -0.43 118.95 120.18 1zdx s ARG 34 Ca 0.01 -0.42 -0.07 0.00 -1.00 0.00 0.00 55.73 54.24 1zdx s ARG 34 Cb -0.01 -4.05 -0.02 0.00 0.00 0.00 0.00 34.95 30.87 1zdx s ARG 34 CO -0.00 -1.35 0.28 0.14 0.00 0.00 0.00 175.30 174.37 1zdx s VAL 35 N 3.46 0.02 -0.46 7.11 -7.23 -1.01 -4.88 120.40 117.42 1zdx s VAL 35 Ca 0.26 -1.64 -0.18 0.00 -1.81 0.00 0.00 61.98 58.61 1zdx s VAL 35 Cb -0.14 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.63 1zdx s VAL 35 CO 0.18 -0.10 0.49 -1.81 -0.31 0.00 0.00 175.10 173.54 1zdx s ASP 36 N -3.06 6.20 -0.19 4.85 1.01 0.16 -2.84 116.67 122.80 1zdx s ASP 36 Ca 0.27 -0.88 -0.29 0.00 0.71 0.00 0.00 52.55 52.37 1zdx s ASP 36 Cb 0.03 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.68 1zdx s ASP 36 CO 0.07 -0.70 2.03 -0.63 0.21 0.00 0.00 175.17 176.16 1zdx s ILE 37 N 2.21 3.17 -0.21 0.77 1.09 0.80 -0.21 121.20 128.82 1zdx s ILE 37 Ca 0.12 0.19 -0.05 0.00 -1.10 0.00 0.00 60.65 59.80 1zdx s ILE 37 Cb -0.19 -3.20 -0.02 0.00 -1.06 0.00 0.00 42.46 37.99 1zdx s ILE 37 CO 0.12 -0.10 -0.01 -0.31 -0.10 0.00 0.00 174.94 174.53 1zdx s TYR 38 N 6.97 3.01 -0.09 3.97 1.51 -0.47 -0.29 117.35 131.95 1zdx s TYR 38 Ca 0.91 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 56.39 1zdx s TYR 38 Cb -0.32 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.42 1zdx s TYR 38 CO 0.35 -0.35 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.12 1zdx s LEU 39 N 1.18 2.61 -1.57 -1.29 2.96 0.66 -0.59 118.68 122.63 1zdx s LEU 39 Ca 0.03 -0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 53.55 1zdx s LEU 39 Cb -0.15 -1.55 0.06 0.00 0.50 0.00 0.00 46.19 45.06 1zdx s LEU 39 CO 0.01 0.24 0.38 0.59 -1.32 0.00 0.00 176.35 176.24 1zdx n ASN 40 N 3.02 -0.68 -2.04 3.68 3.02 -1.11 -1.38 115.26 119.77 1zdx n ASN 40 Ca -0.18 -1.13 -0.20 0.00 -0.03 0.00 0.00 54.58 53.05 1zdx n ASN 40 Cb 0.52 -2.33 -0.03 0.00 -0.61 0.00 0.00 39.78 37.33 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 -2.82 -5.57 -3.91 6.41 3.02 -1.26 -5.01 115.26 106.12 1zdx n ASN 41 Ca -0.19 0.12 -0.15 0.00 -0.03 0.00 0.00 54.58 54.33 1zdx n ASN 41 Cb 0.62 -4.66 -0.15 0.00 -0.61 0.00 0.00 39.78 34.99 1zdx n ASN 41 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1zdx s GLY 42 N -2.30 0.20 0.25 7.41 0.00 -0.48 -5.07 107.32 107.32 1zdx s GLY 42 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.32 1zdx s GLY 42 CO 0.00 0.02 1.32 2.98 0.00 0.00 0.00 173.10 177.43 1zdx n TYR 43 N 3.24 1.98 0.00 1.90 9.36 -1.26 -0.25 117.16 132.13 1zdx n TYR 43 Ca -0.16 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.57 1zdx n TYR 43 Cb 0.57 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 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 1.70 0.00 -3.77 2.98 2.81 0.60 -4.83 117.12 116.60 1zdx n MET 44 Ca 0.11 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.91 1zdx n MET 44 Cb 0.31 -0.76 -0.03 0.00 -0.71 0.00 0.00 33.22 32.03 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 -1.77 -1.09 -0.11 3.04 0.00 -1.15 -4.87 121.76 115.80 1zdx s ALA 45 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 1zdx s ALA 45 Cb 0.00 0.88 0.06 0.00 0.00 0.00 0.00 23.12 24.06 1zdx s ALA 45 CO 0.00 -0.91 0.21 0.99 0.00 0.00 0.00 175.76 176.04 1zdx s THR 46 N -3.89 -0.33 0.19 0.00 2.01 -1.26 -0.14 115.64 112.22 1zdx s THR 46 Ca 0.10 0.28 -0.22 0.00 0.31 0.00 0.00 61.69 62.16 1zdx s THR 46 Cb -0.03 -0.39 0.08 0.00 0.01 0.00 0.00 72.50 72.16 1zdx s THR 46 CO 0.01 0.10 1.03 0.00 -0.69 0.00 0.00 174.62 175.08 1zdx s ARG 47 N 2.35 1.32 -0.43 4.92 1.04 -1.13 -5.00 118.95 122.02 1zdx s ARG 47 Ca 0.03 -0.84 -0.28 0.00 -1.04 0.00 0.00 55.73 53.59 1zdx s ARG 47 Cb -0.12 0.37 0.00 0.00 -2.04 0.00 0.00 34.95 33.16 1zdx s ARG 47 CO -0.07 -0.62 1.53 0.34 -0.04 0.00 0.00 175.30 176.44 1zdx s ASP 48 N -3.36 6.14 -0.56 -2.89 3.68 -1.26 -2.42 116.67 116.00 1zdx s ASP 48 Ca 0.21 0.83 -0.19 0.00 2.13 0.00 0.00 52.55 55.52 1zdx s ASP 48 Cb -0.03 -2.54 0.08 0.00 -1.45 0.00 0.00 42.92 38.99 1zdx s ASP 48 CO 0.05 -1.60 0.70 -0.69 0.13 0.00 0.00 175.17 173.76 1zdx s VAL 49 N 6.08 4.79 0.64 1.11 1.01 0.43 -4.84 120.40 129.63 1zdx s VAL 49 Ca 0.65 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 1zdx s VAL 49 Cb -0.15 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.80 1zdx s VAL 49 CO 0.31 -1.00 1.30 0.41 0.00 0.00 0.00 175.10 176.12 1zdx n THR 50 N 5.63 4.93 -4.46 3.92 -1.04 -1.26 -2.04 114.28 119.96 1zdx n THR 50 Ca -0.07 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.21 1zdx n THR 50 Cb 0.44 -1.51 -0.09 0.00 -1.82 0.00 0.00 70.33 67.35 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 -1.38 1.83 0.30 -1.42 -0.71 -0.92 -0.04 117.98 115.64 1zdx s PHE 51 Ca 0.82 -1.12 0.07 0.00 -1.04 0.00 0.00 56.93 55.66 1zdx s PHE 51 Cb -0.38 -1.18 -0.06 0.00 -1.21 0.00 0.00 43.02 40.18 1zdx s PHE 51 CO 0.41 -0.16 -0.06 -0.80 -1.34 0.00 0.00 175.22 173.26 1zdx s ASN 52 N -3.52 2.94 0.38 1.98 0.02 -0.16 -4.37 114.94 112.22 1zdx s ASN 52 Ca 0.31 -1.21 -0.27 0.00 -1.02 0.00 0.00 52.86 50.67 1zdx s ASN 52 Cb 0.06 -0.20 -0.10 0.00 0.02 0.00 0.00 41.25 41.03 1zdx s ASN 52 CO 0.15 -0.33 1.38 -0.89 0.02 0.00 0.00 177.10 177.42 1zdx s THR 53 N -2.95 2.39 0.01 1.60 2.01 -1.26 -0.70 115.64 116.74 1zdx s THR 53 Ca 0.31 0.37 -0.28 0.00 0.31 0.00 0.00 61.69 62.39 1zdx s THR 53 Cb 0.04 -3.23 0.10 0.00 0.01 0.00 0.00 72.50 69.42 1zdx s THR 53 CO 0.13 0.07 0.85 -0.83 -0.69 0.00 0.00 174.62 174.15 1zdx s GLY 54 N -0.45 -0.48 -0.50 4.40 0.00 -0.42 -4.71 107.32 105.16 1zdx s GLY 54 Ca 0.54 0.99 -0.27 0.00 0.00 0.00 0.00 44.72 45.98 1zdx s GLY 54 CO 0.55 0.35 2.07 0.99 0.00 0.00 0.00 173.10 177.07 1zdx s ASP 55 N -2.43 5.08 0.21 1.64 -0.00 -1.26 -3.03 116.67 116.88 1zdx s ASP 55 Ca 0.04 0.85 -0.22 0.00 -0.00 0.00 0.00 52.55 53.22 1zdx s ASP 55 Cb -0.01 -2.52 0.06 0.00 -0.00 0.00 0.00 42.92 40.46 1zdx s ASP 55 CO -0.09 -2.43 0.95 -0.44 -0.00 0.00 0.00 175.17 173.16 1zdx s SER 56 N 9.26 -0.07 0.20 0.27 0.01 -1.26 -4.94 113.70 117.16 1zdx s SER 56 Ca 0.82 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 57.31 1zdx s SER 56 Cb -0.17 0.57 0.15 0.00 0.21 0.00 0.00 66.02 66.78 1zdx s SER 56 CO 0.25 -1.10 1.84 -0.33 0.41 0.00 0.00 173.24 174.31 1zdx h GLU 57 N 2.00 0.77 0.00 12.44 5.08 -1.89 -1.64 114.58 131.34 1zdx h GLU 57 Ca -0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1zdx h GLU 57 Cb 1.23 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1zdx h GLU 57 CO 0.32 0.51 -0.89 1.04 -1.00 0.00 0.00 179.01 178.99 1zdx n GLN 58 N -4.70 0.12 0.00 2.33 3.00 -1.26 -4.78 117.38 112.10 1zdx n GLN 58 Ca 0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1zdx n GLN 58 Cb 0.07 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 28.77 1zdx n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1zdx n GLY 59 N 1.45 1.01 3.25 1.08 0.00 -0.62 -1.50 105.19 109.85 1zdx n GLY 59 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.07 -0.02 -0.61 -4.36 -1.17 -1.30 121.20 111.82 1zdx s ILE 60 Ca 0.00 -0.61 0.01 0.00 -0.26 0.00 0.00 60.65 59.79 1zdx s ILE 60 Cb 0.00 -0.84 0.01 0.00 1.25 0.00 0.00 42.46 42.89 1zdx s ILE 60 CO 0.00 -0.34 -0.03 0.68 0.24 0.00 0.00 174.94 175.49 1zdx s VAL 61 N -2.16 0.37 0.50 8.37 -7.23 0.12 -4.75 120.40 115.62 1zdx s VAL 61 Ca -0.08 -0.09 -0.23 0.00 -1.81 0.00 0.00 61.98 59.77 1zdx s VAL 61 Cb -0.02 -0.38 -0.06 0.00 0.56 0.00 0.00 36.38 36.47 1zdx s VAL 61 CO -0.01 0.16 1.30 -2.16 -0.31 0.00 0.00 175.10 174.07 1zdx s PRO 62 N 0.54 3.45 -0.91 4.82 0.04 -1.26 -0.99 135.00 140.69 1zdx s PRO 62 Ca -0.06 2.09 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 1zdx s PRO 62 Cb -0.09 -2.38 0.07 0.00 0.04 0.00 0.00 34.50 32.14 1zdx s PRO 62 CO -0.00 -0.90 1.28 0.00 0.04 0.00 0.00 177.00 177.42 1zdx s LEU 64 N 4.32 3.94 0.01 0.00 1.43 -1.26 -4.77 118.68 122.35 1zdx s LEU 64 Ca 0.38 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1zdx s LEU 64 Cb -0.04 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 1zdx s LEU 64 CO -0.04 -0.10 0.01 0.42 0.23 0.00 0.00 176.35 176.86 1zdx s THR 65 N -2.11 0.08 0.41 5.49 -4.23 -1.26 0.11 115.64 114.13 1zdx s THR 65 Ca 0.35 -0.67 0.20 0.00 -1.18 0.00 0.00 61.69 60.39 1zdx s THR 65 Cb -0.08 -0.24 0.41 0.00 1.34 0.00 0.00 72.50 73.93 1zdx s THR 65 CO 0.27 -0.37 1.76 -0.09 -0.54 0.00 0.00 174.62 175.65 1zdx h ARG 66 N 4.92 0.33 0.04 3.99 9.65 -0.97 0.39 114.38 132.73 1zdx h ARG 66 Ca -0.30 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.46 1zdx h ARG 66 Cb 1.21 -0.08 0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1zdx h ARG 66 CO 0.43 0.22 -0.43 0.00 2.80 0.00 0.00 179.97 182.99 1zdx h ALA 67 N 1.61 0.00 -0.34 2.80 0.00 -1.78 -0.80 119.26 120.76 1zdx h ALA 67 Ca 0.61 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1zdx h ALA 67 Cb 1.63 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1zdx h ALA 67 CO -0.29 0.20 0.18 1.96 0.00 0.00 0.00 179.25 181.30 1zdx h GLN 68 N -0.47 0.35 0.49 0.00 1.08 -1.31 0.21 115.11 115.47 1zdx h GLN 68 Ca -0.06 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1zdx h GLN 68 Cb 1.23 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 1zdx h GLN 68 CO 0.08 0.23 -0.42 -0.07 -0.95 0.00 0.00 178.83 177.71 1zdx h LEU 69 N 0.37 -1.14 0.00 1.46 4.07 -1.12 -0.74 115.31 118.21 1zdx h LEU 69 Ca 0.14 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1zdx h LEU 69 Cb 0.04 0.36 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1zdx h LEU 69 CO -0.09 -0.58 0.00 0.00 -1.08 0.00 0.00 178.44 176.69 1zdx n ALA 70 N -2.70 2.03 -0.10 1.53 0.00 -0.30 -1.27 120.51 119.69 1zdx n ALA 70 Ca -0.11 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1zdx n ALA 70 Cb 0.40 -1.14 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 1zdx n ALA 70 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zdx n SER 71 N -0.79 1.86 0.00 0.00 7.64 0.73 -4.03 113.62 119.04 1zdx n SER 71 Ca 0.07 0.45 0.04 0.00 1.01 0.00 0.00 58.87 60.43 1zdx n SER 71 Cb 0.03 -0.93 0.23 0.00 -1.01 0.00 0.00 64.21 62.53 1zdx n SER 71 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1zdx n MET 72 N -4.44 0.17 0.00 1.43 0.00 -0.39 -4.83 117.12 109.07 1zdx n MET 72 Ca -0.30 0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.53 1zdx n MET 72 Cb 0.63 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.35 1zdx n MET 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1zdx n GLY 73 N -0.53 0.77 3.71 3.17 0.00 -0.40 -4.78 105.19 107.13 1zdx n GLY 73 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 3.77 -4.55 0.99 -0.00 -0.45 -2.05 117.00 114.70 1zdx n LEU 74 Ca 0.00 1.12 -0.41 0.00 -0.00 0.00 0.00 56.01 56.72 1zdx n LEU 74 Cb 0.00 -1.52 -0.03 0.00 -0.00 0.00 0.00 43.42 41.87 1zdx n LEU 74 CO 0.00 -0.08 1.36 0.21 -0.00 0.00 0.00 177.39 178.88 1zdx s ASN 75 N 0.64 6.38 0.22 1.96 3.84 -0.73 -4.18 114.94 123.07 1zdx s ASN 75 Ca 0.70 -1.09 -0.09 0.00 0.21 0.00 0.00 52.86 52.59 1zdx s ASN 75 Cb -0.57 -2.56 0.33 0.00 -0.55 0.00 0.00 41.25 37.90 1zdx s ASN 75 CO 0.44 -1.63 1.69 0.71 -2.79 0.00 0.00 177.10 175.52 1zdx h THR 76 N 6.51 0.57 0.00 -5.21 1.35 -1.90 -2.14 112.91 112.08 1zdx h THR 76 Ca 0.02 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1zdx h THR 76 Cb 1.03 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1zdx h THR 76 CO 1.37 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 176.68 1zdx n ALA 77 N -2.67 2.05 1.35 6.62 0.00 -1.26 -1.50 120.51 125.10 1zdx n ALA 77 Ca 0.10 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1zdx n ALA 77 Cb 0.36 -1.35 0.69 0.00 0.00 0.00 0.00 19.45 19.16 1zdx n ALA 77 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1zdx n SER 78 N -1.38 0.11 -4.12 0.00 7.64 -0.81 -4.72 113.62 110.34 1zdx n SER 78 Ca 0.08 -0.14 -0.34 0.00 1.01 0.00 0.00 58.87 59.48 1zdx n SER 78 Cb 0.21 -0.25 -0.14 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.63 2.65 -1.35 0.44 1.01 -0.56 -5.02 120.40 114.94 1zdx s VAL 79 Ca 0.26 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.62 1zdx s VAL 79 Cb 0.20 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1zdx s VAL 79 CO 0.48 -0.17 0.82 0.00 0.00 0.00 0.00 175.10 176.23 1zdx n ALA 80 N 4.52 1.17 -3.00 5.51 0.00 -1.26 -1.51 120.51 125.93 1zdx n ALA 80 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 1zdx n ALA 80 Cb 0.43 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.32 3.03 0.00 0.00 0.00 -1.26 -4.90 105.19 100.74 1zdx n GLY 81 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 0.15 2.89 0.00 1.61 0.00 -0.57 -4.72 117.12 116.47 1zdx n MET 82 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.90 1zdx n MET 82 Cb 0.70 -0.98 0.00 0.00 0.00 0.00 0.00 33.22 32.95 1zdx n MET 82 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1zdx n ASN 83 N -2.06 0.00 -0.41 6.12 0.23 -1.26 -1.08 115.26 116.80 1zdx n ASN 83 Ca 0.00 0.22 0.05 0.00 -0.53 0.00 0.00 54.58 54.32 1zdx n ASN 83 Cb 0.48 -0.22 0.05 0.00 -2.08 0.00 0.00 39.78 38.01 1zdx n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1zdx n LEU 84 N -1.22 1.94 0.00 -4.53 -0.00 -1.26 -5.02 117.00 106.91 1zdx n LEU 84 Ca 0.00 -1.11 -0.17 0.00 -0.00 0.00 0.00 56.01 54.72 1zdx n LEU 84 Cb 0.00 -0.02 0.09 0.00 -0.00 0.00 0.00 43.42 43.49 1zdx n LEU 84 CO 0.00 0.39 0.44 0.18 -0.00 0.00 0.00 177.39 178.40 1zdx n LEU 85 N 0.54 0.00 -4.43 1.47 4.77 -0.24 -5.14 117.00 113.97 1zdx n LEU 85 Ca 0.06 -1.51 -0.21 0.00 -0.03 0.00 0.00 56.01 54.33 1zdx n LEU 85 Cb 0.26 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.75 1zdx n LEU 85 CO 0.06 -0.89 -0.29 0.00 -1.33 0.00 0.00 177.39 174.94 1zdx s ALA 86 N -3.16 2.28 -0.69 -1.18 0.00 -1.26 -4.90 121.76 112.85 1zdx s ALA 86 Ca 0.50 -2.00 0.24 0.00 0.00 0.00 0.00 51.96 50.69 1zdx s ALA 86 Cb -0.03 0.58 0.91 0.00 0.00 0.00 0.00 23.12 24.58 1zdx s ALA 86 CO 0.33 -0.27 1.72 -3.47 0.00 0.00 0.00 175.76 174.07 1zdx n ASP 87 N -0.64 0.55 -2.57 0.00 -0.08 -1.26 -0.40 116.55 112.15 1zdx n ASP 87 Ca -0.03 0.60 -0.03 0.00 -1.51 0.00 0.00 54.79 53.82 1zdx n ASP 87 Cb 0.66 -0.73 0.05 0.00 2.34 0.00 0.00 41.12 43.44 1zdx n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1zdx n ASP 88 N -2.07 1.96 -3.58 1.67 9.92 -1.26 -4.44 116.55 118.75 1zdx n ASP 88 Ca 0.04 -2.28 -0.29 0.00 -0.53 0.00 0.00 54.79 51.73 1zdx n ASP 88 Cb 0.30 -0.45 0.24 0.00 -0.64 0.00 0.00 41.12 40.57 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1zdx n ALA 89 N -0.52 -2.99 -3.01 2.24 0.00 -0.97 -5.01 120.51 110.25 1zdx n ALA 89 Ca 0.12 -1.60 -0.26 0.00 0.00 0.00 0.00 53.44 51.70 1zdx n ALA 89 Cb 0.85 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 20.15 1zdx n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zdx n VAL 91 N -0.08 0.17 -2.08 0.00 0.31 0.12 -4.74 118.33 112.03 1zdx n VAL 91 Ca 0.30 -0.04 -0.40 0.00 -0.01 0.00 0.00 64.34 64.20 1zdx n VAL 91 Cb 0.42 -0.92 -0.02 0.00 -0.91 0.00 0.00 33.84 32.41 1zdx n VAL 91 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1zdx n PRO 92 N 5.09 2.56 0.01 5.55 -0.04 -1.26 -4.12 135.00 142.78 1zdx n PRO 92 Ca 0.31 -2.76 -0.11 0.00 -0.04 0.00 0.00 63.50 60.89 1zdx n PRO 92 Cb 0.05 -3.42 -0.06 0.00 -0.04 0.00 0.00 33.50 30.03 1zdx n PRO 92 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1zdx h LEU 93 N 13.21 0.09 -1.32 1.53 6.46 -1.90 -0.36 115.31 133.02 1zdx h LEU 93 Ca 0.43 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1zdx h LEU 93 Cb 0.80 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1zdx h LEU 93 CO 1.58 0.08 0.00 0.71 -0.62 0.00 0.00 178.44 180.19 1zdx h THR 94 N 0.10 0.00 0.04 1.05 1.35 -1.86 0.14 112.91 113.73 1zdx h THR 94 Ca 0.03 -0.44 -0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1zdx h THR 94 Cb 0.00 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1zdx h THR 94 CO -0.01 0.00 -0.02 0.74 -0.25 0.00 0.00 175.52 175.98 1zdx h THR 95 N 0.00 0.00 -0.23 6.82 2.02 -1.84 -3.43 112.91 116.25 1zdx h THR 95 Ca 0.00 -0.78 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 1zdx h THR 95 Cb 0.47 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1zdx h THR 95 CO 0.00 0.00 -0.16 0.24 0.37 0.00 0.00 175.52 175.97 1zdx h MET 96 N -0.84 0.51 -5.86 6.66 2.07 -0.82 -3.34 114.93 113.31 1zdx h MET 96 Ca -0.01 -0.24 -0.61 0.00 -2.07 0.00 0.00 59.70 56.77 1zdx h MET 96 Cb 0.05 -0.00 -0.12 0.00 -1.87 0.00 0.00 31.60 29.65 1zdx h MET 96 CO 0.01 0.81 0.62 0.08 1.07 0.00 0.00 176.91 179.50 1zdx s VAL 97 N -4.48 4.31 0.87 -2.22 1.01 0.47 -4.99 120.40 115.37 1zdx s VAL 97 Ca -0.13 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 1zdx s VAL 97 Cb 0.07 -4.60 0.12 0.00 0.00 0.00 0.00 36.38 31.96 1zdx s VAL 97 CO 0.78 -1.24 1.11 -1.58 0.00 0.00 0.00 175.10 174.17 1zdx s GLN 98 N 4.15 1.44 0.00 2.72 0.74 -1.26 -3.46 119.66 123.99 1zdx s GLN 98 Ca 0.30 1.29 0.00 0.00 0.05 0.00 0.00 55.36 57.00 1zdx s GLN 98 Cb -0.13 -1.79 0.00 0.00 1.10 0.00 0.00 33.01 32.19 1zdx s GLN 98 CO 0.18 -2.26 0.00 -3.47 -0.55 0.00 0.00 175.29 169.19 1zdx n ASP 99 N -3.95 0.00 -4.84 6.67 4.64 -1.26 -4.56 116.55 113.24 1zdx n ASP 99 Ca 0.10 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.18 1zdx n ASP 99 Cb 0.53 -0.92 -0.06 0.00 -1.04 0.00 0.00 41.12 39.63 1zdx n ASP 99 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1zdx s ALA 100 N -1.92 3.23 0.02 -1.67 0.00 -1.22 -4.48 121.76 115.70 1zdx s ALA 100 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 1zdx s ALA 100 Cb 0.00 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 1zdx s ALA 100 CO 0.00 0.22 0.11 0.95 0.00 0.00 0.00 175.76 177.04 1zdx s THR 101 N -2.10 0.10 -0.37 0.00 -4.23 -0.79 -4.75 115.64 103.50 1zdx s THR 101 Ca 0.56 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1zdx s THR 101 Cb -0.10 -0.58 0.12 0.00 1.34 0.00 0.00 72.50 73.29 1zdx s THR 101 CO 0.18 -0.47 0.18 0.00 -0.54 0.00 0.00 174.62 173.96 1zdx s ALA 102 N -1.83 1.61 -0.21 3.99 0.00 -1.25 -0.96 121.76 123.11 1zdx s ALA 102 Ca -0.11 -2.05 -0.05 0.00 0.00 0.00 0.00 51.96 49.74 1zdx s ALA 102 Cb -0.06 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 1zdx s ALA 102 CO -0.01 -1.91 0.01 -1.58 0.00 0.00 0.00 175.76 172.27 1zdx s HIS 103 N 1.03 3.05 -0.52 0.00 5.04 -0.47 -4.80 115.29 118.61 1zdx s HIS 103 Ca 0.15 -0.46 -0.29 0.00 -1.54 0.00 0.00 55.06 52.92 1zdx s HIS 103 Cb -0.21 -2.11 0.03 0.00 0.04 0.00 0.00 32.58 30.33 1zdx s HIS 103 CO -0.10 -0.26 1.17 -1.17 -2.34 0.00 0.00 174.74 172.04 1zdx s LEU 104 N 1.09 3.55 -1.25 8.88 2.96 -1.26 -0.29 118.68 132.36 1zdx s LEU 104 Ca 0.03 0.32 -0.17 0.00 -0.22 0.00 0.00 54.13 54.09 1zdx s LEU 104 Cb -0.14 -3.39 0.10 0.00 0.50 0.00 0.00 46.19 43.26 1zdx s LEU 104 CO 0.02 -1.36 1.62 -0.62 -1.32 0.00 0.00 176.35 174.68 1zdx s ASP 105 N 2.74 6.89 0.54 3.68 -1.08 0.45 -4.83 116.67 125.06 1zdx s ASP 105 Ca 0.46 -2.55 0.23 0.00 -0.52 0.00 0.00 52.55 50.17 1zdx s ASP 105 Cb -0.07 -2.52 1.51 0.00 -1.46 0.00 0.00 42.92 40.37 1zdx s ASP 105 CO 0.29 -1.06 2.18 1.62 0.52 0.00 0.00 175.17 178.72 1zdx h VAL 106 N 5.37 0.76 -0.00 1.11 3.04 -1.93 0.27 116.25 124.88 1zdx h VAL 106 Ca 0.39 -0.11 -0.00 0.00 -1.01 0.00 0.00 66.70 65.97 1zdx h VAL 106 Cb 0.88 1.06 -0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1zdx h VAL 106 CO 1.39 0.03 0.00 1.23 -1.01 0.00 0.00 177.57 179.20 1zdx h GLY 107 N 0.13 0.00 -0.31 3.17 0.00 -1.92 -2.50 103.07 101.64 1zdx h GLY 107 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1zdx h GLY 107 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.36 1zdx n GLN 108 N -5.00 1.54 -4.13 4.80 -0.06 -1.12 -4.92 117.38 108.50 1zdx n GLN 108 Ca -0.08 -0.80 -0.29 0.00 -2.00 0.00 0.00 57.00 53.84 1zdx n GLN 108 Cb 0.11 -1.43 -0.05 0.00 -4.06 0.00 0.00 30.24 24.81 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 -0.01 -2.36 -4.24 3.69 6.02 -0.55 -4.91 117.38 115.03 1zdx n GLN 109 Ca 0.18 0.28 -0.28 0.00 -0.01 0.00 0.00 57.00 57.17 1zdx n GLN 109 Cb 0.29 -4.24 -0.09 0.00 1.02 0.00 0.00 30.24 27.21 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 -6.91 2.16 -0.39 -1.09 3.52 -0.02 -0.67 118.95 115.55 1zdx s ARG 110 Ca 0.09 -1.11 -0.03 0.00 -0.13 0.00 0.00 55.73 54.55 1zdx s ARG 110 Cb -0.05 -2.27 0.10 0.00 -1.56 0.00 0.00 34.95 31.17 1zdx s ARG 110 CO 0.94 0.48 0.17 -1.17 -0.81 0.00 0.00 175.30 174.90 1zdx s LEU 111 N -2.54 5.04 -0.84 -0.88 2.96 0.71 -0.41 118.68 122.72 1zdx s LEU 111 Ca 0.24 -1.91 -0.25 0.00 -0.22 0.00 0.00 54.13 51.99 1zdx s LEU 111 Cb -0.10 -1.81 -0.06 0.00 0.50 0.00 0.00 46.19 44.72 1zdx s LEU 111 CO 0.15 -0.50 2.04 0.20 -1.32 0.00 0.00 176.35 176.92 1zdx s ASN 112 N 1.71 4.90 -0.20 3.68 0.01 0.60 -1.37 114.94 124.27 1zdx s ASN 112 Ca 0.06 -0.40 -0.12 0.00 -0.71 0.00 0.00 52.86 51.69 1zdx s ASN 112 Cb -0.22 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.84 1zdx s ASN 112 CO -0.04 -2.93 0.24 -0.22 -1.51 0.00 0.00 177.10 172.65 1zdx s LEU 113 N 10.93 4.19 0.09 0.60 1.98 0.24 -1.37 118.68 135.34 1zdx s LEU 113 Ca 0.75 0.35 0.05 0.00 -2.89 0.00 0.00 54.13 52.39 1zdx s LEU 113 Cb -0.09 -2.27 -0.03 0.00 0.66 0.00 0.00 46.19 44.46 1zdx s LEU 113 CO 0.04 0.08 -0.14 -0.89 -1.89 0.00 0.00 176.35 173.55 1zdx s THR 114 N 0.73 1.20 -0.08 3.68 2.01 -0.13 -2.77 115.64 120.28 1zdx s THR 114 Ca 0.13 -1.51 -0.14 0.00 0.31 0.00 0.00 61.69 60.48 1zdx s THR 114 Cb -0.13 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 71.12 1zdx s THR 114 CO 0.03 -0.33 0.35 -0.63 -0.69 0.00 0.00 174.62 173.35 1zdx s ILE 115 N -1.73 0.02 0.50 1.82 1.01 -1.26 -1.89 121.20 119.68 1zdx s ILE 115 Ca 0.03 -0.21 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 1zdx s ILE 115 Cb -0.07 -0.57 -0.07 0.00 0.01 0.00 0.00 42.46 41.76 1zdx s ILE 115 CO 0.02 -0.11 1.11 -2.16 0.00 0.00 0.00 174.94 173.80 1zdx s PRO 116 N -0.50 3.60 0.63 2.79 0.04 -1.26 -4.91 135.00 135.39 1zdx s PRO 116 Ca -0.06 1.57 0.37 0.00 0.04 0.00 0.00 61.00 62.92 1zdx s PRO 116 Cb -0.04 -2.14 2.14 0.00 0.04 0.00 0.00 34.50 34.51 1zdx s PRO 116 CO 0.02 -0.63 2.31 1.96 0.04 0.00 0.00 177.00 180.70 1zdx h GLN 117 N 1.54 0.00 0.00 4.56 1.08 -1.99 -0.90 115.11 119.40 1zdx h GLN 117 Ca -0.50 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1zdx h GLN 117 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1zdx h GLN 117 CO 0.58 0.00 0.04 0.00 -0.95 0.00 0.00 178.83 178.50 1zdx h ALA 118 N 1.98 1.03 -0.55 3.87 0.00 -2.01 -2.66 119.26 120.93 1zdx h ALA 118 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.51 1zdx h ALA 118 Cb 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.49 1zdx h ALA 118 CO -0.00 -0.03 -0.74 1.19 0.00 0.00 0.00 179.25 179.66 1zdx n PHE 119 N -2.79 2.03 -3.92 0.00 3.01 -0.34 -4.96 117.46 110.49 1zdx n PHE 119 Ca -0.02 -2.03 -0.29 0.00 1.01 0.00 0.00 57.45 56.11 1zdx n PHE 119 Cb 0.09 -0.32 -0.16 0.00 -0.01 0.00 0.00 39.48 39.09 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 -3.50 1.57 0.12 -1.08 -1.94 -1.00 -1.78 119.30 111.69 1zdx s MET 120 Ca 0.47 -0.72 -0.27 0.00 -1.71 0.00 0.00 55.69 53.47 1zdx s MET 120 Cb 0.40 -2.28 -0.07 0.00 2.01 0.00 0.00 34.83 34.89 1zdx s MET 120 CO 0.01 -0.50 1.63 1.03 -0.01 0.00 0.00 175.02 177.19 1zdx h SER 121 N 8.05 -0.79 0.00 3.03 0.87 -1.69 -3.45 113.55 119.57 1zdx h SER 121 Ca -0.23 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1zdx h SER 121 Cb 1.10 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1zdx h SER 121 CO 0.42 -0.35 0.00 -0.46 -0.53 0.00 0.00 176.83 175.91 1zdx n ASN 122 N -5.38 0.00 0.00 6.23 2.04 -1.26 -5.02 115.26 111.86 1zdx n ASN 122 Ca -0.06 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.08 1zdx n ASN 122 Cb 0.30 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.55 1zdx n ASN 122 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1zdx n ARG 123 N -0.38 0.00 -0.97 -3.83 5.12 -1.26 -4.59 116.66 110.75 1zdx n ARG 123 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1zdx n ARG 123 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 0.00 0.00 0.00 7.54 0.00 -1.26 -5.14 120.51 121.65 1zdx n ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1zdx n ALA 124 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1zdx n ALA 124 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39