#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 0.05 0.00 1.61 -0.44 -1.26 -2.58 119.66 117.04 1zdx s GLN 26 Ca 0.00 0.35 0.00 0.00 -2.50 0.00 0.00 55.36 53.21 1zdx s GLN 26 Cb 0.00 -0.22 0.00 0.00 -1.64 0.00 0.00 33.01 31.15 1zdx s GLN 26 CO 0.00 -0.19 0.47 -0.85 0.50 0.00 0.00 175.29 175.22 1zdx n GLU 27 N 4.39 0.00 -3.68 1.67 0.28 -0.68 -4.93 120.64 117.69 1zdx n GLU 27 Ca -0.23 -0.20 -0.12 0.00 -0.16 0.00 0.00 57.16 56.44 1zdx n GLU 27 Cb 0.51 0.14 -0.13 0.00 1.43 0.00 0.00 31.44 33.39 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 -0.14 0.48 -1.84 1.43 -1.03 -5.01 118.68 112.58 1zdx s LEU 28 Ca 0.00 0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 53.53 1zdx s LEU 28 Cb 0.00 0.83 -0.07 0.00 0.03 0.00 0.00 46.19 46.98 1zdx s LEU 28 CO 0.00 -0.22 1.10 -2.16 0.23 0.00 0.00 176.35 175.30 1zdx s PRO 29 N 2.06 3.72 1.05 1.29 0.04 -1.26 -4.63 135.00 137.26 1zdx s PRO 29 Ca -0.03 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 1zdx s PRO 29 Cb -0.11 -2.22 0.22 0.00 0.04 0.00 0.00 34.50 32.42 1zdx s PRO 29 CO -0.09 -0.54 1.07 -1.25 0.04 0.00 0.00 177.00 176.23 1zdx s PRO 30 N -2.99 0.02 0.00 0.56 0.04 -1.26 -5.01 135.00 126.37 1zdx s PRO 30 Ca 0.66 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1zdx s PRO 30 Cb -0.23 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1zdx s PRO 30 CO 0.27 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.69 1zdx n GLY 31 N -0.51 -0.51 3.22 0.56 0.00 -1.17 -5.04 105.19 101.73 1zdx n GLY 31 Ca 0.05 -0.94 -0.21 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 -3.23 1.38 -0.02 2.61 -1.32 -1.26 -1.59 115.64 112.22 1zdx s THR 32 Ca 0.00 -1.40 0.03 0.00 -1.21 0.00 0.00 61.69 59.11 1zdx s THR 32 Cb 0.00 -1.29 -0.00 0.00 -1.51 0.00 0.00 72.50 69.70 1zdx s THR 32 CO 0.00 -0.14 -0.09 -0.72 -2.21 0.00 0.00 174.62 171.46 1zdx s TYR 33 N -1.20 0.91 -0.27 9.09 -0.85 -1.16 -4.91 117.35 118.95 1zdx s TYR 33 Ca 0.02 -0.20 -0.25 0.00 -0.52 0.00 0.00 57.07 56.12 1zdx s TYR 33 Cb -0.10 -0.62 0.00 0.00 0.38 0.00 0.00 41.96 41.62 1zdx s TYR 33 CO 0.03 -0.05 0.86 0.50 -1.52 0.00 0.00 175.55 175.37 1zdx s ARG 34 N -0.03 4.12 0.31 -3.49 6.06 -1.26 -1.16 118.95 123.50 1zdx s ARG 34 Ca 0.01 0.90 -0.16 0.00 -2.50 0.00 0.00 55.73 53.97 1zdx s ARG 34 Cb -0.06 -3.68 0.02 0.00 0.06 0.00 0.00 34.95 31.30 1zdx s ARG 34 CO 0.00 -0.61 0.66 0.14 -2.50 0.00 0.00 175.30 172.99 1zdx s VAL 35 N 2.99 0.00 -0.27 7.11 -7.23 0.03 -4.84 120.40 118.19 1zdx s VAL 35 Ca 0.36 -1.15 -0.06 0.00 -1.81 0.00 0.00 61.98 59.32 1zdx s VAL 35 Cb -0.15 -2.34 -0.00 0.00 0.56 0.00 0.00 36.38 34.45 1zdx s VAL 35 CO 0.09 0.00 0.05 1.51 -0.31 0.00 0.00 175.10 176.44 1zdx s ASP 36 N -3.01 4.94 -0.33 4.85 1.47 0.15 -1.30 116.67 123.42 1zdx s ASP 36 Ca 0.17 -0.54 -0.28 0.00 1.18 0.00 0.00 52.55 53.07 1zdx s ASP 36 Cb -0.04 -1.85 -0.02 0.00 -0.34 0.00 0.00 42.92 40.67 1zdx s ASP 36 CO 0.10 -0.12 1.81 -0.63 0.68 0.00 0.00 175.17 177.01 1zdx s ILE 37 N 1.51 3.46 -0.80 2.11 1.09 0.70 -0.25 121.20 129.03 1zdx s ILE 37 Ca 0.04 0.46 -0.01 0.00 -1.10 0.00 0.00 60.65 60.04 1zdx s ILE 37 Cb -0.16 -3.63 0.20 0.00 -1.06 0.00 0.00 42.46 37.80 1zdx s ILE 37 CO 0.01 -0.41 0.65 -0.31 -0.10 0.00 0.00 174.94 174.78 1zdx s TYR 38 N 7.01 3.72 0.02 3.97 1.51 -0.34 -0.50 117.35 132.74 1zdx s TYR 38 Ca 0.80 -3.00 -0.30 0.00 -1.01 0.00 0.00 57.07 53.56 1zdx s TYR 38 Cb -0.22 -3.15 -0.04 0.00 -0.11 0.00 0.00 41.96 38.44 1zdx s TYR 38 CO 0.33 -0.73 1.00 -1.17 -1.11 0.00 0.00 175.55 173.87 1zdx s LEU 39 N -1.05 4.38 -1.52 -1.29 2.96 -1.26 -1.37 118.68 119.53 1zdx s LEU 39 Ca 0.24 1.71 -0.15 0.00 -0.22 0.00 0.00 54.13 55.71 1zdx s LEU 39 Cb -0.10 -3.57 0.12 0.00 0.50 0.00 0.00 46.19 43.14 1zdx s LEU 39 CO -0.11 -0.26 0.70 0.59 -1.32 0.00 0.00 176.35 175.95 1zdx n ASN 40 N 3.77 -3.53 -3.81 3.68 3.02 0.05 -0.55 115.26 117.90 1zdx n ASN 40 Ca 0.06 -0.76 -0.24 0.00 -0.03 0.00 0.00 54.58 53.61 1zdx n ASN 40 Cb 0.50 -2.89 0.01 0.00 -0.61 0.00 0.00 39.78 36.79 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 -2.52 -0.98 -2.75 6.41 3.02 -1.25 -4.95 115.26 112.24 1zdx n ASN 41 Ca 0.05 -0.92 -0.09 0.00 -0.03 0.00 0.00 54.58 53.59 1zdx n ASN 41 Cb 0.51 -3.56 0.07 0.00 -0.61 0.00 0.00 39.78 36.18 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 -1.77 0.45 0.50 7.41 0.00 0.29 -5.13 105.19 106.94 1zdx n GLY 42 Ca -0.30 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.84 0.00 -0.07 1.61 9.36 -1.26 -4.35 117.16 123.30 1zdx n TYR 43 Ca 0.07 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.18 1zdx n TYR 43 Cb 0.67 -0.21 -0.05 0.00 -0.63 0.00 0.00 39.34 39.12 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 1.50 0.30 -3.57 2.98 2.81 0.34 -4.90 117.12 116.59 1zdx n MET 44 Ca 0.00 0.10 -0.13 0.00 -1.81 0.00 0.00 57.70 55.86 1zdx n MET 44 Cb 0.00 -1.12 -0.05 0.00 -0.71 0.00 0.00 33.22 31.34 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 -2.25 -1.24 -0.14 3.04 0.00 -1.21 -4.97 121.76 114.98 1zdx s ALA 45 Ca -0.18 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 1zdx s ALA 45 Cb 0.06 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.79 1zdx s ALA 45 CO 0.27 -0.58 0.11 0.99 0.00 0.00 0.00 175.76 176.54 1zdx s THR 46 N -3.04 -0.14 0.22 0.00 2.01 -1.26 -0.21 115.64 113.21 1zdx s THR 46 Ca -0.02 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.78 1zdx s THR 46 Cb -0.00 -0.48 0.07 0.00 0.01 0.00 0.00 72.50 72.10 1zdx s THR 46 CO -0.07 -0.14 1.00 0.00 -0.69 0.00 0.00 174.62 174.72 1zdx s ARG 47 N 2.19 1.49 0.53 4.92 1.70 -0.42 -4.99 118.95 124.36 1zdx s ARG 47 Ca 0.03 -0.96 -0.19 0.00 -0.47 0.00 0.00 55.73 54.14 1zdx s ARG 47 Cb -0.15 0.41 -0.07 0.00 -0.57 0.00 0.00 34.95 34.58 1zdx s ARG 47 CO -0.08 -0.70 1.08 0.16 -1.08 0.00 0.00 175.30 174.68 1zdx s ASP 48 N -3.37 5.99 -0.32 -2.89 1.47 -1.26 -0.79 116.67 115.50 1zdx s ASP 48 Ca 0.21 2.02 -0.02 0.00 1.18 0.00 0.00 52.55 55.94 1zdx s ASP 48 Cb -0.03 -2.57 0.12 0.00 -0.34 0.00 0.00 42.92 40.10 1zdx s ASP 48 CO 0.07 -1.03 0.17 -0.69 0.68 0.00 0.00 175.17 174.37 1zdx s VAL 49 N -1.95 0.04 -0.55 2.11 1.01 -0.31 -4.93 120.40 115.83 1zdx s VAL 49 Ca 0.69 -1.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 1zdx s VAL 49 Cb -0.19 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1zdx s VAL 49 CO 0.25 -0.84 2.03 -0.89 0.00 0.00 0.00 175.10 175.64 1zdx s THR 50 N 1.64 3.25 0.57 3.92 2.01 -1.26 -2.98 115.64 122.80 1zdx s THR 50 Ca 0.13 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.16 1zdx s THR 50 Cb -0.19 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 1zdx s THR 50 CO -0.20 -0.59 1.01 0.72 -0.69 0.00 0.00 174.62 174.87 1zdx s PHE 51 N 9.84 3.54 0.32 4.92 -0.71 -0.62 -0.86 117.98 134.41 1zdx s PHE 51 Ca 0.78 1.37 0.05 0.00 -1.04 0.00 0.00 56.93 58.09 1zdx s PHE 51 Cb -0.15 -2.76 -0.06 0.00 -1.21 0.00 0.00 43.02 38.84 1zdx s PHE 51 CO 0.23 -0.56 0.02 -0.80 -1.34 0.00 0.00 175.22 172.78 1zdx s ASN 52 N -3.66 2.59 0.06 1.98 0.01 -0.24 -3.07 114.94 112.61 1zdx s ASN 52 Ca 0.57 -1.32 -0.34 0.00 -0.71 0.00 0.00 52.86 51.06 1zdx s ASN 52 Cb -0.11 -0.13 -0.13 0.00 0.41 0.00 0.00 41.25 41.29 1zdx s ASN 52 CO 0.44 -0.52 1.71 0.41 -1.51 0.00 0.00 177.10 177.63 1zdx n THR 53 N -0.67 0.25 -1.42 1.60 -1.04 -1.26 -2.57 114.28 109.16 1zdx n THR 53 Ca -0.03 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1zdx n THR 53 Cb 0.66 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 1zdx n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zdx n GLY 54 N 3.84 5.36 3.37 3.41 0.00 -0.83 -4.78 105.19 115.56 1zdx n GLY 54 Ca 0.19 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1zdx n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zdx s ASP 55 N 1.08 -0.49 0.00 1.61 3.68 -1.11 -4.69 116.67 116.74 1zdx s ASP 55 Ca 0.00 0.95 0.00 0.00 2.13 0.00 0.00 52.55 55.63 1zdx s ASP 55 Cb 0.00 0.96 0.00 0.00 -1.45 0.00 0.00 42.92 42.43 1zdx s ASP 55 CO 0.00 -0.16 0.00 -1.20 0.13 0.00 0.00 175.17 173.94 1zdx n SER 56 N 2.86 0.00 -0.09 -0.34 7.64 -1.26 -4.69 113.62 117.75 1zdx n SER 56 Ca -0.14 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.66 1zdx n SER 56 Cb 0.57 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.27 0.00 1.43 5.08 -1.90 -1.58 114.58 117.34 1zdx h GLU 57 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1zdx h GLU 57 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1zdx h GLU 57 CO 0.00 -0.18 0.00 1.04 -1.00 0.00 0.00 179.01 178.87 1zdx n GLN 58 N -5.41 0.20 -0.43 2.33 6.02 -1.26 -3.96 117.38 114.87 1zdx n GLN 58 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1zdx n GLN 58 Cb 0.33 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1zdx n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1zdx n GLY 59 N 1.24 1.75 3.47 1.08 0.00 -0.60 -1.68 105.19 110.45 1zdx n GLY 59 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.30 2.53 0.01 -0.61 -4.36 -1.26 -1.96 121.20 112.25 1zdx s ILE 60 Ca 0.00 -2.18 0.01 0.00 -0.26 0.00 0.00 60.65 58.22 1zdx s ILE 60 Cb 0.00 -2.28 -0.01 0.00 1.25 0.00 0.00 42.46 41.42 1zdx s ILE 60 CO 0.00 -0.26 -0.03 0.68 0.24 0.00 0.00 174.94 175.57 1zdx s VAL 61 N -2.10 0.17 0.64 8.37 -7.23 -1.06 -4.57 120.40 114.62 1zdx s VAL 61 Ca 0.26 -0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 59.82 1zdx s VAL 61 Cb -0.07 -0.22 -0.01 0.00 0.56 0.00 0.00 36.38 36.65 1zdx s VAL 61 CO 0.13 -0.18 1.15 -2.16 -0.31 0.00 0.00 175.10 173.73 1zdx s PRO 62 N -0.65 2.78 -0.13 4.82 0.04 -1.26 -1.08 135.00 139.52 1zdx s PRO 62 Ca -0.06 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 1zdx s PRO 62 Cb -0.05 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1zdx s PRO 62 CO -0.00 -1.30 1.21 0.00 0.04 0.00 0.00 177.00 176.95 1zdx s LEU 64 N 2.98 2.27 0.04 0.00 1.02 -1.26 -4.71 118.68 119.01 1zdx s LEU 64 Ca 0.54 -0.61 0.02 0.00 0.02 0.00 0.00 54.13 54.09 1zdx s LEU 64 Cb -0.22 -0.63 -0.02 0.00 0.02 0.00 0.00 46.19 45.34 1zdx s LEU 64 CO 0.16 -0.02 -0.07 0.42 0.02 0.00 0.00 176.35 176.85 1zdx s THR 65 N -1.19 0.51 0.46 5.49 -4.23 -1.24 -0.42 115.64 115.02 1zdx s THR 65 Ca 0.01 -1.06 0.19 0.00 -1.18 0.00 0.00 61.69 59.65 1zdx s THR 65 Cb -0.10 -0.58 0.38 0.00 1.34 0.00 0.00 72.50 73.54 1zdx s THR 65 CO 0.03 -0.39 1.92 -0.09 -0.54 0.00 0.00 174.62 175.55 1zdx h ARG 66 N 4.52 0.29 0.59 3.99 2.43 -1.46 0.11 114.38 124.85 1zdx h ARG 66 Ca -0.35 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1zdx h ARG 66 Cb 1.20 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1zdx h ARG 66 CO 0.41 0.19 -0.28 0.00 -1.51 0.00 0.00 179.97 178.77 1zdx h ALA 67 N 1.65 -0.79 -0.97 2.80 0.00 -1.81 0.07 119.26 120.20 1zdx h ALA 67 Ca 0.36 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.23 1zdx h ALA 67 Cb 0.99 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1zdx h ALA 67 CO -0.09 -0.80 0.61 1.96 0.00 0.00 0.00 179.25 180.93 1zdx h GLN 68 N -1.09 0.75 0.23 0.00 1.08 -1.20 0.20 115.11 115.08 1zdx h GLN 68 Ca -0.08 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1zdx h GLN 68 Cb 0.66 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1zdx h GLN 68 CO 0.13 0.50 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.33 1zdx h LEU 69 N 0.77 -0.26 0.00 1.46 4.07 -0.95 -3.08 115.31 117.33 1zdx h LEU 69 Ca 0.51 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.48 1zdx h LEU 69 Cb 0.78 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1zdx h LEU 69 CO -0.28 -0.13 0.00 0.00 -1.08 0.00 0.00 178.44 176.94 1zdx n ALA 70 N -2.23 1.30 0.01 1.53 0.00 0.01 -0.49 120.51 120.64 1zdx n ALA 70 Ca -0.04 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1zdx n ALA 70 Cb 0.12 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 1zdx n ALA 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1zdx h SER 71 N 0.00 -0.06 0.00 0.00 0.87 -0.63 -3.20 113.55 110.52 1zdx h SER 71 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1zdx h SER 71 Cb 0.06 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1zdx h SER 71 CO 0.00 0.47 0.01 0.23 -0.53 0.00 0.00 176.83 177.01 1zdx n MET 72 N -4.87 0.11 -0.81 2.24 2.81 0.35 -4.77 117.12 112.19 1zdx n MET 72 Ca -0.09 0.60 0.00 0.00 -1.81 0.00 0.00 57.70 56.41 1zdx n MET 72 Cb 0.27 -1.86 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 1zdx n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1zdx n GLY 73 N -1.34 0.70 3.78 3.03 0.00 -1.16 -4.43 105.19 105.76 1zdx n GLY 73 Ca -0.01 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1zdx n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zdx s LEU 74 N 0.00 4.30 -1.11 0.99 1.98 -0.80 -0.38 118.68 123.65 1zdx s LEU 74 Ca 0.00 3.00 -0.15 0.00 -2.89 0.00 0.00 54.13 54.10 1zdx s LEU 74 Cb 0.00 -3.71 0.17 0.00 0.66 0.00 0.00 46.19 43.32 1zdx s LEU 74 CO 0.00 -0.89 1.30 0.21 -1.89 0.00 0.00 176.35 175.09 1zdx s ASN 75 N -0.23 6.97 0.50 3.68 3.84 -0.93 -4.36 114.94 124.41 1zdx s ASN 75 Ca 0.54 -2.79 0.32 0.00 0.21 0.00 0.00 52.86 51.13 1zdx s ASN 75 Cb -0.46 -2.38 1.74 0.00 -0.55 0.00 0.00 41.25 39.61 1zdx s ASN 75 CO 0.61 -0.78 1.97 0.71 -2.79 0.00 0.00 177.10 176.83 1zdx h THR 76 N 4.88 0.00 0.00 -5.21 1.35 -1.92 -1.11 112.91 110.90 1zdx h THR 76 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1zdx h THR 76 Cb 0.92 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1zdx h THR 76 CO 1.17 0.00 -1.05 0.00 -0.25 0.00 0.00 175.52 175.40 1zdx n ALA 77 N -1.91 3.07 0.17 6.62 0.00 -1.26 -3.27 120.51 123.94 1zdx n ALA 77 Ca -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.08 1zdx n ALA 77 Cb 0.09 -1.01 0.31 0.00 0.00 0.00 0.00 19.45 18.84 1zdx n ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1zdx h SER 78 N 0.00 0.00 -3.59 0.00 0.02 -1.53 -3.43 113.55 105.02 1zdx h SER 78 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1zdx h SER 78 Cb 0.82 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.23 1zdx h SER 78 CO 0.00 0.43 -0.02 -0.69 -1.14 0.00 0.00 176.83 175.42 1zdx s VAL 79 N -4.01 5.06 -0.42 2.27 1.01 -1.24 -4.99 120.40 118.07 1zdx s VAL 79 Ca -0.02 0.81 -0.27 0.00 0.00 0.00 0.00 61.98 62.50 1zdx s VAL 79 Cb 0.14 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1zdx s VAL 79 CO 0.73 0.04 2.36 0.00 0.00 0.00 0.00 175.10 178.24 1zdx n ALA 80 N 5.58 1.08 -0.48 5.51 0.00 -1.26 -2.79 120.51 128.15 1zdx n ALA 80 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1zdx n ALA 80 Cb 0.50 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.86 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 5.97 0.80 0.01 0.00 0.00 -1.26 -5.03 105.19 105.68 1zdx n GLY 81 Ca 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.14 1.36 0.00 1.61 0.00 -1.12 -4.77 117.12 114.05 1zdx n MET 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1zdx n MET 82 Cb 0.10 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.30 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 -2.36 0.06 0.00 6.12 6.94 -1.20 -1.83 115.26 122.98 1zdx n ASN 83 Ca -0.02 -0.39 0.00 0.00 -0.02 0.00 0.00 54.58 54.15 1zdx n ASN 83 Cb 0.53 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 1zdx n ASN 83 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1zdx n LEU 84 N -0.23 0.57 -4.94 -4.53 -0.00 -1.26 -5.06 117.00 101.54 1zdx n LEU 84 Ca 0.00 -0.57 -0.24 0.00 -0.00 0.00 0.00 56.01 55.20 1zdx n LEU 84 Cb 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.44 1zdx n LEU 84 CO 0.00 0.14 0.30 -0.76 -0.00 0.00 0.00 177.39 177.08 1zdx s LEU 85 N -0.04 3.66 0.78 1.47 1.43 -0.76 -5.10 118.68 120.12 1zdx s LEU 85 Ca 0.00 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1zdx s LEU 85 Cb 0.00 -3.28 0.06 0.00 0.03 0.00 0.00 46.19 43.00 1zdx s LEU 85 CO 0.00 -0.67 1.09 0.00 0.23 0.00 0.00 176.35 177.00 1zdx s ALA 86 N -2.58 2.27 -2.07 4.21 0.00 -1.26 -4.83 121.76 117.50 1zdx s ALA 86 Ca 0.48 -0.09 0.31 0.00 0.00 0.00 0.00 51.96 52.65 1zdx s ALA 86 Cb -0.10 -3.14 1.63 0.00 0.00 0.00 0.00 23.12 21.50 1zdx s ALA 86 CO 0.39 -1.68 2.07 -0.40 0.00 0.00 0.00 175.76 176.14 1zdx n ASP 87 N -3.42 0.41 -3.09 0.00 5.75 -1.26 -1.62 116.55 113.31 1zdx n ASP 87 Ca 0.07 -1.05 -0.20 0.00 -0.01 0.00 0.00 54.79 53.60 1zdx n ASP 87 Cb 0.55 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.59 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1zdx n ASP 88 N -0.72 -0.43 -4.25 -1.12 2.03 -1.26 -3.69 116.55 107.12 1zdx n ASP 88 Ca 0.22 -2.87 -0.17 0.00 0.52 0.00 0.00 54.79 52.49 1zdx n ASP 88 Cb 0.19 -0.09 -0.11 0.00 -0.72 0.00 0.00 41.12 40.39 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zdx s ALA 89 N -0.90 1.52 -0.75 -1.67 0.00 -1.22 -5.05 121.76 113.69 1zdx s ALA 89 Ca 0.35 -1.38 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 1zdx s ALA 89 Cb 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1zdx s ALA 89 CO -0.13 0.04 1.86 0.00 0.00 0.00 0.00 175.76 177.53 1zdx s VAL 91 N 9.24 3.52 -1.35 0.00 1.01 0.44 -4.95 120.40 128.32 1zdx s VAL 91 Ca 0.67 1.02 -0.13 0.00 0.00 0.00 0.00 61.98 63.54 1zdx s VAL 91 Cb -0.10 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1zdx s VAL 91 CO 0.11 0.04 2.43 -0.81 0.00 0.00 0.00 175.10 176.87 1zdx n PRO 92 N 4.63 2.86 -0.13 2.72 -0.04 -1.26 -4.40 135.00 139.38 1zdx n PRO 92 Ca 0.12 -2.21 -0.04 0.00 -0.04 0.00 0.00 63.50 61.33 1zdx n PRO 92 Cb 0.43 -2.96 0.04 0.00 -0.04 0.00 0.00 33.50 30.97 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 9.27 -0.02 -0.24 1.53 6.46 -1.92 0.43 115.31 130.82 1zdx h LEU 93 Ca 0.65 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.48 1zdx h LEU 93 Cb 0.46 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1zdx h LEU 93 CO 1.81 0.03 0.00 0.35 -0.62 0.00 0.00 178.44 180.00 1zdx n THR 94 N -5.12 1.06 -0.10 1.05 -2.24 -1.26 -0.17 114.28 107.50 1zdx n THR 94 Ca 0.04 0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.90 1zdx n THR 94 Cb 0.21 -1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 67.19 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 -1.72 1.57 0.10 4.28 -1.04 -0.56 -4.58 114.28 112.32 1zdx n THR 95 Ca 0.03 -0.52 -0.03 0.00 -2.04 0.00 0.00 64.05 61.48 1zdx n THR 95 Cb 0.16 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 1zdx n THR 95 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1zdx h MET 96 N -0.22 0.00 -4.48 -2.82 2.07 -0.45 -3.38 114.93 105.66 1zdx h MET 96 Ca -0.55 0.00 -0.70 0.00 -2.07 0.00 0.00 59.70 56.37 1zdx h MET 96 Cb 1.84 0.00 -0.32 0.00 -1.87 0.00 0.00 31.60 31.25 1zdx h MET 96 CO -0.12 0.78 -0.52 0.08 1.07 0.00 0.00 176.91 178.20 1zdx s VAL 97 N -3.00 3.62 0.51 -2.22 1.01 0.75 -4.96 120.40 116.11 1zdx s VAL 97 Ca 0.01 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 59.98 1zdx s VAL 97 Cb 0.10 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 1zdx s VAL 97 CO 0.78 -0.60 1.28 -1.58 0.00 0.00 0.00 175.10 174.98 1zdx s GLN 98 N 1.25 3.39 0.00 2.72 2.00 -1.26 -2.45 119.66 125.31 1zdx s GLN 98 Ca 0.05 2.05 0.00 0.00 -2.00 0.00 0.00 55.36 55.46 1zdx s GLN 98 Cb -0.23 -2.32 0.00 0.00 0.80 0.00 0.00 33.01 31.26 1zdx s GLN 98 CO -0.02 -0.93 0.00 -3.47 -0.50 0.00 0.00 175.29 170.37 1zdx n ASP 99 N -0.81 0.00 -4.75 6.67 -0.08 -1.26 -4.64 116.55 111.67 1zdx n ASP 99 Ca 0.09 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.96 1zdx n ASP 99 Cb 0.46 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.89 1zdx n ASP 99 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zdx s ALA 100 N -1.05 3.51 0.02 -1.67 0.00 -1.03 -4.76 121.76 116.79 1zdx s ALA 100 Ca 0.00 1.16 -0.05 0.00 0.00 0.00 0.00 51.96 53.07 1zdx s ALA 100 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1zdx s ALA 100 CO 0.00 -0.55 0.09 0.95 0.00 0.00 0.00 175.76 176.25 1zdx s THR 101 N -0.48 0.11 -0.45 0.00 -4.23 -1.16 -4.50 115.64 104.93 1zdx s THR 101 Ca 0.53 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 60.15 1zdx s THR 101 Cb -0.38 -0.64 0.18 0.00 1.34 0.00 0.00 72.50 73.00 1zdx s THR 101 CO 0.44 -0.51 0.38 0.00 -0.54 0.00 0.00 174.62 174.39 1zdx n ALA 102 N 1.13 2.92 -2.63 3.99 0.00 -1.25 -2.31 120.51 122.35 1zdx n ALA 102 Ca -0.21 -3.33 -0.42 0.00 0.00 0.00 0.00 53.44 49.48 1zdx n ALA 102 Cb 0.57 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 1zdx n ALA 102 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1zdx s HIS 103 N -0.26 3.23 -0.36 0.00 5.04 -0.60 -4.78 115.29 117.56 1zdx s HIS 103 Ca 0.32 0.97 -0.29 0.00 -1.54 0.00 0.00 55.06 54.52 1zdx s HIS 103 Cb 0.04 -3.22 0.02 0.00 0.04 0.00 0.00 32.58 29.46 1zdx s HIS 103 CO -0.19 -0.53 1.11 -1.17 -2.34 0.00 0.00 174.74 171.62 1zdx s LEU 104 N 3.00 3.85 -0.88 8.88 2.96 -1.26 -0.47 118.68 134.76 1zdx s LEU 104 Ca 0.35 0.92 -0.18 0.00 -0.22 0.00 0.00 54.13 55.00 1zdx s LEU 104 Cb -0.14 -3.54 0.15 0.00 0.50 0.00 0.00 46.19 43.15 1zdx s LEU 104 CO 0.11 -0.99 1.03 -0.62 -1.32 0.00 0.00 176.35 174.56 1zdx s ASP 105 N 1.96 6.62 0.00 3.68 -1.08 -0.16 -4.87 116.67 122.83 1zdx s ASP 105 Ca 0.47 -2.11 0.16 0.00 -0.52 0.00 0.00 52.55 50.55 1zdx s ASP 105 Cb -0.11 -2.36 0.76 0.00 -1.46 0.00 0.00 42.92 39.75 1zdx s ASP 105 CO 0.20 -0.98 1.45 0.52 0.52 0.00 0.00 175.17 176.88 1zdx n VAL 106 N 5.21 0.64 0.24 1.11 0.31 -1.26 -0.14 118.33 124.44 1zdx n VAL 106 Ca 0.19 0.16 -0.15 0.00 -0.01 0.00 0.00 64.34 64.54 1zdx n VAL 106 Cb 0.48 -0.90 -0.08 0.00 -0.91 0.00 0.00 33.84 32.43 1zdx n VAL 106 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1zdx h GLY 107 N 2.59 -0.64 -0.69 2.92 0.00 -1.96 -3.36 103.07 101.94 1zdx h GLY 107 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1zdx h GLY 107 CO 0.00 -0.23 -0.59 -0.18 0.00 0.00 0.00 176.54 175.53 1zdx n GLN 108 N -5.27 1.03 -3.71 4.80 -0.06 -1.13 -4.96 117.38 108.08 1zdx n GLN 108 Ca -0.11 -0.69 -0.26 0.00 -2.00 0.00 0.00 57.00 53.94 1zdx n GLN 108 Cb 0.30 -1.44 0.06 0.00 -4.06 0.00 0.00 30.24 25.09 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 -0.44 -6.85 -3.82 3.69 6.02 0.80 -4.92 117.38 111.85 1zdx n GLN 109 Ca 0.07 0.73 -0.37 0.00 -0.01 0.00 0.00 57.00 57.43 1zdx n GLN 109 Cb 0.41 -5.71 -0.13 0.00 1.02 0.00 0.00 30.24 25.83 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 -6.36 2.75 -0.97 -1.09 3.52 -0.41 -0.68 118.95 115.71 1zdx s ARG 110 Ca 0.56 -1.07 -0.24 0.00 -0.13 0.00 0.00 55.73 54.85 1zdx s ARG 110 Cb -0.26 -3.31 0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1zdx s ARG 110 CO 0.77 -0.55 1.44 -1.17 -0.81 0.00 0.00 175.30 174.98 1zdx s LEU 111 N 1.39 3.44 -0.05 -0.88 2.96 0.65 -0.98 118.68 125.21 1zdx s LEU 111 Ca -0.01 -1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 52.34 1zdx s LEU 111 Cb -0.18 -2.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.87 1zdx s LEU 111 CO 0.01 -1.60 1.84 0.20 -1.32 0.00 0.00 176.35 175.48 1zdx s ASN 112 N 4.89 6.42 -0.03 3.68 0.01 0.39 -1.20 114.94 129.11 1zdx s ASN 112 Ca 0.45 2.32 0.05 0.00 -0.71 0.00 0.00 52.86 54.97 1zdx s ASN 112 Cb -0.01 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1zdx s ASN 112 CO -0.06 -1.12 -0.17 -0.22 -1.51 0.00 0.00 177.10 174.02 1zdx s LEU 113 N 4.78 1.98 0.08 0.60 1.98 -0.47 -1.56 118.68 126.06 1zdx s LEU 113 Ca 0.82 -0.32 0.06 0.00 -2.89 0.00 0.00 54.13 51.81 1zdx s LEU 113 Cb -0.36 -0.90 -0.03 0.00 0.66 0.00 0.00 46.19 45.55 1zdx s LEU 113 CO 0.35 0.18 -0.17 -0.89 -1.89 0.00 0.00 176.35 173.93 1zdx s THR 114 N -0.21 1.39 -0.08 3.68 2.01 -0.98 -0.77 115.64 120.69 1zdx s THR 114 Ca 0.02 -1.37 -0.04 0.00 0.31 0.00 0.00 61.69 60.60 1zdx s THR 114 Cb -0.09 -1.29 0.04 0.00 0.01 0.00 0.00 72.50 71.17 1zdx s THR 114 CO 0.00 -0.12 0.19 -0.63 -0.69 0.00 0.00 174.62 173.38 1zdx s ILE 115 N -1.17 -0.03 0.53 1.82 1.01 -1.26 -3.00 121.20 119.10 1zdx s ILE 115 Ca 0.02 0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.59 1zdx s ILE 115 Cb -0.10 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 1zdx s ILE 115 CO 0.03 0.05 1.25 -2.16 0.00 0.00 0.00 174.94 174.11 1zdx s PRO 116 N 0.95 3.31 0.41 2.79 0.04 -1.26 -4.90 135.00 136.34 1zdx s PRO 116 Ca -0.07 1.96 0.13 0.00 0.04 0.00 0.00 61.00 63.06 1zdx s PRO 116 Cb -0.09 -2.22 0.97 0.00 0.04 0.00 0.00 34.50 33.21 1zdx s PRO 116 CO -0.05 -0.97 1.91 1.96 0.04 0.00 0.00 177.00 179.89 1zdx h GLN 117 N 1.51 0.49 -0.49 4.56 1.08 -1.99 -0.75 115.11 119.52 1zdx h GLN 117 Ca -0.50 -0.03 0.14 0.00 -1.45 0.00 0.00 58.65 56.81 1zdx h GLN 117 Cb 1.28 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 1zdx h GLN 117 CO 0.58 0.32 0.49 0.00 -0.95 0.00 0.00 178.83 179.28 1zdx h ALA 118 N 1.63 2.24 -0.82 3.87 0.00 -2.02 -1.87 119.26 122.30 1zdx h ALA 118 Ca 0.38 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.72 1zdx h ALA 118 Cb 0.76 0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.27 1zdx h ALA 118 CO -0.14 -0.75 0.14 1.19 0.00 0.00 0.00 179.25 179.70 1zdx n PHE 119 N -3.78 2.75 -4.13 0.00 3.01 -0.29 -4.86 117.46 110.17 1zdx n PHE 119 Ca 0.09 -2.47 -0.14 0.00 1.01 0.00 0.00 57.45 55.94 1zdx n PHE 119 Cb 0.69 -0.90 -0.11 0.00 -0.01 0.00 0.00 39.48 39.15 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 -3.63 0.71 -0.11 -1.08 -1.94 -0.70 -2.20 119.30 110.34 1zdx s MET 120 Ca 0.57 -0.98 -0.26 0.00 -1.71 0.00 0.00 55.69 53.31 1zdx s MET 120 Cb 0.46 -0.44 -0.27 0.00 2.01 0.00 0.00 34.83 36.58 1zdx s MET 120 CO 0.02 0.07 0.77 0.66 -0.01 0.00 0.00 175.02 176.53 1zdx h SER 121 N 4.00 0.15 -3.26 3.03 4.64 -0.96 -3.41 113.55 117.74 1zdx h SER 121 Ca -0.37 -0.96 0.00 0.00 -0.47 0.00 0.00 61.79 59.99 1zdx h SER 121 Cb 1.19 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1zdx h SER 121 CO 0.47 1.16 0.00 -3.20 -0.87 0.00 0.00 176.83 174.39 1zdx n ASN 122 N -4.43 0.00 0.00 4.97 4.05 -1.26 -5.07 115.26 113.52 1zdx n ASN 122 Ca -0.13 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.90 1zdx n ASN 122 Cb 0.61 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.62 1zdx n ASN 122 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1zdx n ARG 123 N -1.82 0.00 -3.01 1.20 3.00 -1.26 -4.83 116.66 109.94 1zdx n ARG 123 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.85 57.56 1zdx n ARG 123 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.49 1zdx n ARG 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1zdx n ALA 124 N 0.00 -2.01 0.68 7.54 0.00 -1.26 -5.12 120.51 120.33 1zdx n ALA 124 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.72 1zdx n ALA 124 Cb 0.00 -1.61 0.32 0.00 0.00 0.00 0.00 19.45 18.16 1zdx n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04