#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 2.00 -1.26 -2.32 119.66 119.64 1zdx s GLN 26 Ca 0.00 0.42 0.00 0.00 -2.00 0.00 0.00 55.36 53.78 1zdx s GLN 26 Cb 0.00 -0.46 0.00 0.00 0.80 0.00 0.00 33.01 33.35 1zdx s GLN 26 CO 0.00 -0.33 0.47 -0.85 -0.50 0.00 0.00 175.29 174.09 1zdx n GLU 27 N 5.31 0.00 -3.17 1.67 0.28 -0.21 -4.94 120.64 119.58 1zdx n GLU 27 Ca -0.03 -0.37 0.03 0.00 -0.16 0.00 0.00 57.16 56.63 1zdx n GLU 27 Cb 0.50 -0.25 -0.01 0.00 1.43 0.00 0.00 31.44 33.10 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 -1.37 0.55 -1.84 2.96 -1.07 -5.04 118.68 112.86 1zdx s LEU 28 Ca 0.00 0.71 -0.16 0.00 -0.22 0.00 0.00 54.13 54.47 1zdx s LEU 28 Cb 0.00 2.06 -0.06 0.00 0.50 0.00 0.00 46.19 48.69 1zdx s LEU 28 CO 0.00 -0.27 1.01 -2.16 -1.32 0.00 0.00 176.35 173.61 1zdx s PRO 29 N 2.83 3.75 1.16 0.98 0.04 -1.26 -4.51 135.00 137.99 1zdx s PRO 29 Ca 0.19 1.00 -0.16 0.00 0.04 0.00 0.00 61.00 62.07 1zdx s PRO 29 Cb -0.14 -2.10 0.27 0.00 0.04 0.00 0.00 34.50 32.56 1zdx s PRO 29 CO -0.22 -0.44 1.06 -1.25 0.04 0.00 0.00 177.00 176.19 1zdx s PRO 30 N -4.17 -0.88 0.00 0.56 0.04 -1.26 -5.02 135.00 124.27 1zdx s PRO 30 Ca 0.60 0.36 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1zdx s PRO 30 Cb -0.12 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1zdx s PRO 30 CO 0.35 -3.58 0.00 0.41 0.04 0.00 0.00 177.00 174.22 1zdx n GLY 31 N -0.25 -0.47 3.00 0.56 0.00 -1.06 -5.04 105.19 101.93 1zdx n GLY 31 Ca 0.08 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.51 0.70 -0.14 2.61 -1.32 -1.26 -0.49 115.64 112.23 1zdx s THR 32 Ca 0.00 -0.35 0.02 0.00 -1.21 0.00 0.00 61.69 60.15 1zdx s THR 32 Cb 0.00 -0.61 0.01 0.00 -1.51 0.00 0.00 72.50 70.40 1zdx s THR 32 CO 0.00 0.21 -0.19 -0.72 -2.21 0.00 0.00 174.62 171.71 1zdx s TYR 33 N -0.02 2.49 -0.18 9.09 -0.85 -0.73 -4.84 117.35 122.31 1zdx s TYR 33 Ca 0.01 -1.30 -0.29 0.00 -0.52 0.00 0.00 57.07 54.96 1zdx s TYR 33 Cb -0.06 -1.73 -0.04 0.00 0.38 0.00 0.00 41.96 40.52 1zdx s TYR 33 CO -0.00 -0.63 1.78 0.50 -1.52 0.00 0.00 175.55 175.69 1zdx s ARG 34 N 1.01 3.73 0.27 -3.49 6.06 -1.26 -0.74 118.95 124.53 1zdx s ARG 34 Ca -0.03 1.89 -0.14 0.00 -2.50 0.00 0.00 55.73 54.95 1zdx s ARG 34 Cb -0.15 -4.12 0.00 0.00 0.06 0.00 0.00 34.95 30.75 1zdx s ARG 34 CO -0.05 -1.39 0.53 0.14 -2.50 0.00 0.00 175.30 172.04 1zdx s VAL 35 N 5.64 0.00 -0.32 7.11 -7.23 -0.71 -4.89 120.40 120.01 1zdx s VAL 35 Ca 0.79 -1.33 -0.13 0.00 -1.81 0.00 0.00 61.98 59.50 1zdx s VAL 35 Cb -0.29 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 1zdx s VAL 35 CO 0.32 0.00 0.27 -1.81 -0.31 0.00 0.00 175.10 173.57 1zdx s ASP 36 N -3.02 6.09 -0.10 4.85 1.01 -0.51 -2.50 116.67 122.50 1zdx s ASP 36 Ca 0.21 -0.20 -0.29 0.00 0.71 0.00 0.00 52.55 52.98 1zdx s ASP 36 Cb -0.02 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 1zdx s ASP 36 CO 0.10 -0.20 1.53 -0.63 0.21 0.00 0.00 175.17 176.17 1zdx s ILE 37 N 1.83 3.81 -0.46 0.77 1.09 0.63 -0.18 121.20 128.69 1zdx s ILE 37 Ca 0.08 0.97 0.04 0.00 -1.10 0.00 0.00 60.65 60.64 1zdx s ILE 37 Cb -0.17 -3.64 0.12 0.00 -1.06 0.00 0.00 42.46 37.71 1zdx s ILE 37 CO 0.11 -0.10 0.20 -0.31 -0.10 0.00 0.00 174.94 174.73 1zdx s TYR 38 N 3.94 3.37 -0.11 3.97 1.51 0.24 -0.55 117.35 129.73 1zdx s TYR 38 Ca 0.67 -3.12 -0.26 0.00 -1.01 0.00 0.00 57.07 53.36 1zdx s TYR 38 Cb -0.29 -2.86 -0.02 0.00 -0.11 0.00 0.00 41.96 38.68 1zdx s TYR 38 CO 0.25 -0.81 0.84 -1.17 -1.11 0.00 0.00 175.55 173.55 1zdx s LEU 39 N 0.08 4.25 -1.41 -1.29 2.96 0.59 -0.55 118.68 123.31 1zdx s LEU 39 Ca 0.15 1.30 -0.00 0.00 -0.22 0.00 0.00 54.13 55.36 1zdx s LEU 39 Cb -0.24 -3.28 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1zdx s LEU 39 CO -0.03 -0.31 0.40 0.59 -1.32 0.00 0.00 176.35 175.69 1zdx n ASN 40 N 4.60 -0.25 0.00 3.68 3.02 -0.27 -1.13 115.26 124.91 1zdx n ASN 40 Ca 0.04 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1zdx n ASN 40 Cb 0.50 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.67 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 -2.98 -0.80 -4.15 6.41 3.02 -1.26 -5.01 115.26 110.48 1zdx n ASN 41 Ca -0.31 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 53.95 1zdx n ASN 41 Cb 0.69 -0.77 -0.16 0.00 -0.61 0.00 0.00 39.78 38.92 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 -2.00 1.06 0.30 7.41 0.00 -0.28 -5.04 107.32 108.77 1zdx s GLY 42 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 44.72 43.67 1zdx s GLY 42 CO 0.00 -0.28 1.22 2.98 0.00 0.00 0.00 173.10 177.02 1zdx n TYR 43 N 3.37 1.94 0.00 1.90 9.36 -1.26 -0.30 117.16 132.16 1zdx n TYR 43 Ca -0.19 0.58 0.00 0.00 3.32 0.00 0.00 57.90 61.61 1zdx n TYR 43 Cb 0.53 -2.37 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 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 0.89 0.00 -3.65 2.98 2.81 0.29 -4.82 117.12 115.61 1zdx n MET 44 Ca 0.08 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.87 1zdx n MET 44 Cb 0.34 -0.60 -0.03 0.00 -0.71 0.00 0.00 33.22 32.21 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 -1.13 -0.06 3.04 0.00 -1.22 -4.90 121.76 115.72 1zdx s ALA 45 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 1zdx s ALA 45 Cb 0.00 0.84 0.03 0.00 0.00 0.00 0.00 23.12 23.99 1zdx s ALA 45 CO 0.00 -0.80 0.04 0.99 0.00 0.00 0.00 175.76 175.99 1zdx s THR 46 N -3.84 0.08 0.38 0.00 2.01 -1.26 -0.27 115.64 112.74 1zdx s THR 46 Ca 0.06 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.25 1zdx s THR 46 Cb -0.01 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.23 1zdx s THR 46 CO -0.06 0.19 0.69 -0.13 -0.69 0.00 0.00 174.62 174.63 1zdx s ARG 47 N 2.09 2.17 0.12 4.92 0.52 -1.04 -5.00 118.95 122.73 1zdx s ARG 47 Ca 0.05 -1.58 -0.31 0.00 -0.52 0.00 0.00 55.73 53.37 1zdx s ARG 47 Cb -0.12 0.57 -0.07 0.00 0.52 0.00 0.00 34.95 35.84 1zdx s ARG 47 CO -0.04 -0.98 1.28 0.16 0.02 0.00 0.00 175.30 175.74 1zdx s ASP 48 N -3.14 6.96 -0.32 0.23 -4.77 -1.26 -1.74 116.67 112.64 1zdx s ASP 48 Ca 0.21 2.21 0.03 0.00 -3.30 0.00 0.00 52.55 51.71 1zdx s ASP 48 Cb -0.04 -2.59 0.09 0.00 -1.09 0.00 0.00 42.92 39.29 1zdx s ASP 48 CO 0.15 -0.53 0.01 -0.69 0.70 0.00 0.00 175.17 174.82 1zdx s VAL 49 N 0.76 2.16 -0.01 2.11 1.01 0.08 -4.89 120.40 121.61 1zdx s VAL 49 Ca 0.60 -2.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 1zdx s VAL 49 Cb -0.34 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 1zdx s VAL 49 CO 0.32 -0.46 1.44 -0.89 0.00 0.00 0.00 175.10 175.51 1zdx s THR 50 N 1.00 3.69 0.19 3.92 2.01 -1.26 -1.77 115.64 123.41 1zdx s THR 50 Ca 0.06 1.04 0.11 0.00 0.31 0.00 0.00 61.69 63.21 1zdx s THR 50 Cb -0.19 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1zdx s THR 50 CO -0.08 -0.02 -0.22 0.72 -0.69 0.00 0.00 174.62 174.33 1zdx s PHE 51 N 2.69 2.36 0.08 4.92 -0.71 0.36 0.11 117.98 127.79 1zdx s PHE 51 Ca 0.65 -0.34 0.04 0.00 -1.04 0.00 0.00 56.93 56.25 1zdx s PHE 51 Cb -0.31 -1.18 -0.03 0.00 -1.21 0.00 0.00 43.02 40.29 1zdx s PHE 51 CO 0.26 0.49 -0.12 0.54 -1.34 0.00 0.00 175.22 175.05 1zdx s ASN 52 N -2.64 1.55 0.31 1.98 2.20 -0.03 -2.56 114.94 115.74 1zdx s ASN 52 Ca 0.21 -0.68 -0.29 0.00 -0.94 0.00 0.00 52.86 51.16 1zdx s ASN 52 Cb -0.08 -0.03 -0.10 0.00 -2.00 0.00 0.00 41.25 39.04 1zdx s ASN 52 CO 0.10 -0.15 1.30 -0.89 -2.94 0.00 0.00 177.10 174.52 1zdx s THR 53 N -1.68 2.82 0.00 0.54 2.01 -1.26 -0.49 115.64 117.58 1zdx s THR 53 Ca 0.00 0.80 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1zdx s THR 53 Cb -0.08 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1zdx s THR 53 CO 0.02 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.74 1zdx n GLY 54 N 1.07 1.27 2.88 4.40 0.00 -0.21 -4.78 105.19 109.82 1zdx n GLY 54 Ca 0.01 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1zdx n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zdx s ASP 55 N 2.00 4.29 0.00 1.61 1.11 -1.26 -3.85 116.67 120.57 1zdx s ASP 55 Ca 0.00 -3.26 0.00 0.00 0.18 0.00 0.00 52.55 49.47 1zdx s ASP 55 Cb 0.00 -1.51 0.00 0.00 1.07 0.00 0.00 42.92 42.48 1zdx s ASP 55 CO 0.00 -0.18 0.00 -1.20 1.18 0.00 0.00 175.17 174.97 1zdx n SER 56 N 2.76 0.00 0.11 0.27 7.64 -1.26 -4.97 113.62 118.17 1zdx n SER 56 Ca 0.11 -0.40 -0.15 0.00 1.01 0.00 0.00 58.87 59.44 1zdx n SER 56 Cb 0.34 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.66 0.00 1.43 4.39 -1.90 -2.81 114.58 115.03 1zdx h GLU 57 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1zdx h GLU 57 Cb 0.00 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1zdx h GLU 57 CO 0.00 -0.44 -0.50 1.04 -1.16 0.00 0.00 179.01 177.95 1zdx n GLN 58 N -5.48 0.08 -0.29 2.33 3.00 -1.26 -0.21 117.38 115.55 1zdx n GLN 58 Ca -0.07 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1zdx n GLN 58 Cb 0.39 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.09 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 1.46 0.84 3.09 1.08 0.00 -0.98 -1.04 105.19 109.63 1zdx n GLY 59 Ca 0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 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 0.15 0.02 -0.61 -4.36 -1.25 -1.05 121.20 112.10 1zdx s ILE 60 Ca 0.00 -1.23 0.02 0.00 -0.26 0.00 0.00 60.65 59.18 1zdx s ILE 60 Cb 0.00 -0.94 -0.02 0.00 1.25 0.00 0.00 42.46 42.76 1zdx s ILE 60 CO 0.00 -0.68 -0.06 0.68 0.24 0.00 0.00 174.94 175.12 1zdx s VAL 61 N -2.74 0.44 0.64 8.37 -7.23 0.36 -4.65 120.40 115.59 1zdx s VAL 61 Ca -0.04 -0.73 -0.16 0.00 -1.81 0.00 0.00 61.98 59.23 1zdx s VAL 61 Cb -0.00 -0.47 -0.01 0.00 0.56 0.00 0.00 36.38 36.45 1zdx s VAL 61 CO -0.05 -0.21 1.14 -2.16 -0.31 0.00 0.00 175.10 173.51 1zdx s PRO 62 N -1.02 2.83 -0.55 4.82 0.04 -1.26 -0.85 135.00 139.01 1zdx s PRO 62 Ca -0.06 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 1zdx s PRO 62 Cb -0.07 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1zdx s PRO 62 CO 0.00 -1.25 1.12 0.00 0.04 0.00 0.00 177.00 176.91 1zdx s LEU 64 N 4.62 3.42 0.59 0.00 1.43 -1.26 -4.68 118.68 122.80 1zdx s LEU 64 Ca 0.42 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 1zdx s LEU 64 Cb -0.08 -1.85 0.09 0.00 0.03 0.00 0.00 46.19 44.37 1zdx s LEU 64 CO 0.26 0.13 0.81 0.42 0.23 0.00 0.00 176.35 178.20 1zdx s THR 65 N 0.62 2.18 0.10 5.49 -4.23 -1.25 -1.60 115.64 116.96 1zdx s THR 65 Ca -0.00 -0.94 -0.26 0.00 -1.18 0.00 0.00 61.69 59.31 1zdx s THR 65 Cb -0.14 -2.24 -0.10 0.00 1.34 0.00 0.00 72.50 71.36 1zdx s THR 65 CO 0.02 0.00 1.66 -0.09 -0.54 0.00 0.00 174.62 175.68 1zdx h ARG 66 N 0.10 -0.36 -0.15 3.99 9.65 -1.56 -2.46 114.38 123.58 1zdx h ARG 66 Ca -0.31 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 1zdx h ARG 66 Cb 1.28 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.94 1zdx h ARG 66 CO 0.41 -0.24 0.10 0.00 2.80 0.00 0.00 179.97 183.03 1zdx h ALA 67 N 0.42 0.19 -0.68 2.80 0.00 -1.80 -1.15 119.26 119.05 1zdx h ALA 67 Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1zdx h ALA 67 Cb 0.38 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 1zdx h ALA 67 CO -0.09 -0.32 0.29 1.96 0.00 0.00 0.00 179.25 181.09 1zdx h GLN 68 N 0.20 0.47 -0.12 0.00 1.08 -1.83 0.82 115.11 115.72 1zdx h GLN 68 Ca 0.05 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.10 1zdx h GLN 68 Cb -0.01 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1zdx h GLN 68 CO -0.01 0.31 -0.42 -0.07 -0.95 0.00 0.00 178.83 177.69 1zdx h LEU 69 N 0.49 0.58 -2.33 1.46 3.38 -1.09 -2.45 115.31 115.35 1zdx h LEU 69 Ca 0.35 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1zdx h LEU 69 Cb 0.44 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1zdx h LEU 69 CO -0.32 1.09 -0.04 0.00 0.09 0.00 0.00 178.44 179.26 1zdx h ALA 70 N 0.50 1.29 0.12 1.53 0.00 -0.83 -0.23 119.26 121.64 1zdx h ALA 70 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1zdx h ALA 70 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1zdx h ALA 70 CO 0.09 0.05 -0.06 0.77 0.00 0.00 0.00 179.25 180.10 1zdx h SER 71 N 0.00 -0.14 0.08 0.00 0.02 -0.40 -2.39 113.55 110.72 1zdx h SER 71 Ca -0.00 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1zdx h SER 71 Cb 0.15 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1zdx h SER 71 CO 0.01 0.40 0.00 1.15 -1.14 0.00 0.00 176.83 177.25 1zdx n MET 72 N -4.91 0.11 -0.03 3.45 0.00 -0.97 -4.84 117.12 109.93 1zdx n MET 72 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1zdx n MET 72 Cb 0.27 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.99 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 -0.75 0.98 3.77 3.17 0.00 -0.87 -4.51 105.19 106.98 1zdx n GLY 73 Ca 0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 4.39 -0.84 0.99 1.98 -0.15 -0.46 118.68 124.58 1zdx s LEU 74 Ca 0.00 2.80 -0.23 0.00 -2.89 0.00 0.00 54.13 53.81 1zdx s LEU 74 Cb 0.00 -3.65 0.06 0.00 0.66 0.00 0.00 46.19 43.26 1zdx s LEU 74 CO 0.00 -0.65 1.24 0.21 -1.89 0.00 0.00 176.35 175.26 1zdx s ASN 75 N -0.33 6.35 0.19 3.68 3.84 -0.33 -4.21 114.94 124.13 1zdx s ASN 75 Ca 0.51 -1.16 -0.13 0.00 0.21 0.00 0.00 52.86 52.29 1zdx s ASN 75 Cb -0.42 -2.50 0.22 0.00 -0.55 0.00 0.00 41.25 38.00 1zdx s ASN 75 CO 0.56 -1.52 1.69 0.71 -2.79 0.00 0.00 177.10 175.75 1zdx h THR 76 N 6.22 0.60 0.00 -5.21 1.35 -1.93 -2.81 112.91 111.14 1zdx h THR 76 Ca -0.06 -0.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.74 1zdx h THR 76 Cb 1.04 0.44 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1zdx h THR 76 CO 1.28 0.03 -0.05 0.00 -0.25 0.00 0.00 175.52 176.53 1zdx h ALA 77 N 1.46 1.62 0.00 6.62 0.00 -1.97 -1.19 119.26 125.81 1zdx h ALA 77 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1zdx h ALA 77 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1zdx h ALA 77 CO -0.42 0.06 0.00 0.66 0.00 0.00 0.00 179.25 179.54 1zdx h SER 78 N 0.00 0.00 -3.78 0.00 4.64 -1.87 -3.40 113.55 109.14 1zdx h SER 78 Ca -0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1zdx h SER 78 Cb 0.10 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.81 1zdx h SER 78 CO 0.01 0.00 -0.76 -0.69 -0.87 0.00 0.00 176.83 174.52 1zdx s VAL 79 N -4.09 2.27 -0.11 0.95 1.01 -0.45 -5.07 120.40 114.91 1zdx s VAL 79 Ca -0.05 -1.94 -0.29 0.00 0.00 0.00 0.00 61.98 59.70 1zdx s VAL 79 Cb 0.12 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 1zdx s VAL 79 CO 0.40 -0.29 2.12 0.00 0.00 0.00 0.00 175.10 177.33 1zdx n ALA 80 N 4.36 1.70 0.00 5.51 0.00 -1.26 -1.36 120.51 129.46 1zdx n ALA 80 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1zdx n ALA 80 Cb 0.42 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.05 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 0.79 0.14 0.00 0.00 -1.26 -4.97 105.19 105.13 1zdx n GLY 81 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 1zdx n GLY 81 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1zdx h MET 82 N 4.07 0.28 0.00 1.61 -1.53 -1.46 -3.42 114.93 114.48 1zdx h MET 82 Ca 0.00 -0.48 0.00 0.00 -3.44 0.00 0.00 59.70 55.78 1zdx h MET 82 Cb 0.00 0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.23 1zdx h MET 82 CO 0.00 1.22 0.04 -0.91 0.14 0.00 0.00 176.91 177.40 1zdx h ASN 83 N 0.08 0.00 -0.01 1.39 2.35 -1.77 -2.13 115.58 115.48 1zdx h ASN 83 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1zdx h ASN 83 Cb 2.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.41 1zdx h ASN 83 CO 0.10 0.00 -0.44 0.00 -1.65 0.00 0.00 177.43 175.44 1zdx n LEU 84 N -2.93 1.45 -4.82 1.61 -0.00 -1.26 -4.98 117.00 106.07 1zdx n LEU 84 Ca -0.03 -0.70 -0.33 0.00 -0.00 0.00 0.00 56.01 54.95 1zdx n LEU 84 Cb 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.47 1zdx n LEU 84 CO 0.18 0.29 0.67 -0.76 -0.00 0.00 0.00 177.39 177.76 1zdx s LEU 85 N -2.22 3.83 0.70 1.47 1.43 -0.80 -5.04 118.68 118.05 1zdx s LEU 85 Ca 0.12 1.70 -0.10 0.00 -1.03 0.00 0.00 54.13 54.82 1zdx s LEU 85 Cb 0.13 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.85 1zdx s LEU 85 CO 0.47 -0.50 1.06 0.00 0.23 0.00 0.00 176.35 177.61 1zdx s ALA 86 N -2.27 2.96 -1.04 4.21 0.00 -1.26 -4.67 121.76 119.69 1zdx s ALA 86 Ca 0.62 -0.54 0.18 0.00 0.00 0.00 0.00 51.96 52.22 1zdx s ALA 86 Cb -0.10 -2.88 0.76 0.00 0.00 0.00 0.00 23.12 20.90 1zdx s ALA 86 CO 0.19 -1.19 1.56 -0.25 0.00 0.00 0.00 175.76 176.07 1zdx n ASP 87 N -2.97 0.00 -2.67 0.00 8.00 -1.26 -1.82 116.55 115.83 1zdx n ASP 87 Ca 0.07 0.46 -0.02 0.00 0.71 0.00 0.00 54.79 56.00 1zdx n ASP 87 Cb 0.58 -0.48 0.05 0.00 -0.02 0.00 0.00 41.12 41.25 1zdx n ASP 87 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1zdx n ASP 88 N -1.48 1.89 -4.69 -2.24 9.92 -1.26 -4.34 116.55 114.35 1zdx n ASP 88 Ca 0.05 -2.21 -0.32 0.00 -0.53 0.00 0.00 54.79 51.77 1zdx n ASP 88 Cb 0.20 -0.46 -0.09 0.00 -0.64 0.00 0.00 41.12 40.14 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1zdx s ALA 89 N -3.58 3.30 -0.69 2.24 0.00 -1.12 -5.06 121.76 116.85 1zdx s ALA 89 Ca 0.30 -0.95 -0.26 0.00 0.00 0.00 0.00 51.96 51.05 1zdx s ALA 89 Cb 0.33 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1zdx s ALA 89 CO -0.04 0.65 1.91 0.00 0.00 0.00 0.00 175.76 178.28 1zdx s VAL 91 N 9.50 3.00 -1.28 0.00 1.01 -0.63 -4.93 120.40 127.08 1zdx s VAL 91 Ca 0.69 0.83 -0.15 0.00 0.00 0.00 0.00 61.98 63.35 1zdx s VAL 91 Cb -0.11 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1zdx s VAL 91 CO 0.15 0.07 2.22 -0.81 0.00 0.00 0.00 175.10 176.73 1zdx n PRO 92 N -0.05 2.56 -0.01 2.72 -0.04 -1.26 -4.61 135.00 134.30 1zdx n PRO 92 Ca 0.05 -2.31 -0.09 0.00 -0.04 0.00 0.00 63.50 61.10 1zdx n PRO 92 Cb 0.46 -3.11 -0.03 0.00 -0.04 0.00 0.00 33.50 30.78 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 10.58 -0.24 0.00 1.53 7.12 -1.91 0.38 115.31 132.78 1zdx h LEU 93 Ca 0.56 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.63 1zdx h LEU 93 Cb 0.59 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1zdx h LEU 93 CO 1.88 -0.10 0.00 0.35 -0.13 0.00 0.00 178.44 180.44 1zdx n THR 94 N -5.21 0.00 0.00 1.05 -2.24 -1.26 -1.92 114.28 104.70 1zdx n THR 94 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1zdx n THR 94 Cb 0.14 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.62 0.00 -0.00 4.28 -1.04 -1.05 -4.74 114.28 111.11 1zdx n THR 95 Ca 0.05 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.92 1zdx n THR 95 Cb 0.02 -0.47 -0.03 0.00 -1.82 0.00 0.00 70.33 68.04 1zdx n THR 95 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1zdx h MET 96 N 0.00 0.66 -4.89 -2.82 1.85 -1.02 -3.29 114.93 105.41 1zdx h MET 96 Ca 0.00 -0.52 -0.69 0.00 -0.61 0.00 0.00 59.70 57.88 1zdx h MET 96 Cb 0.40 0.10 -0.18 0.00 0.43 0.00 0.00 31.60 32.35 1zdx h MET 96 CO 0.00 1.14 0.56 0.08 -0.40 0.00 0.00 176.91 178.28 1zdx s VAL 97 N -3.76 4.78 0.73 -5.77 1.01 -0.81 -5.04 120.40 111.54 1zdx s VAL 97 Ca -0.09 -1.36 -0.15 0.00 0.00 0.00 0.00 61.98 60.39 1zdx s VAL 97 Cb 0.10 -4.67 0.04 0.00 0.00 0.00 0.00 36.38 31.84 1zdx s VAL 97 CO 0.88 -1.37 1.21 -1.58 0.00 0.00 0.00 175.10 174.24 1zdx s GLN 98 N 2.63 2.13 0.00 2.72 2.00 -1.24 -2.95 119.66 124.95 1zdx s GLN 98 Ca 0.25 1.76 0.00 0.00 -2.00 0.00 0.00 55.36 55.37 1zdx s GLN 98 Cb -0.11 -1.83 0.00 0.00 0.80 0.00 0.00 33.01 31.86 1zdx s GLN 98 CO -0.03 -1.84 0.00 -3.47 -0.50 0.00 0.00 175.29 169.45 1zdx n ASP 99 N -2.73 0.00 -4.76 6.67 -0.08 -1.26 -4.74 116.55 109.65 1zdx n ASP 99 Ca 0.13 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 53.06 1zdx n ASP 99 Cb 0.50 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.99 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 -0.08 2.57 0.17 -1.67 0.00 -1.15 -4.80 121.76 116.79 1zdx s ALA 100 Ca 0.00 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 1zdx s ALA 100 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1zdx s ALA 100 CO 0.00 -1.10 0.39 0.95 0.00 0.00 0.00 175.76 176.00 1zdx s THR 101 N -1.63 0.06 -0.41 0.00 -4.23 -1.07 -4.63 115.64 103.71 1zdx s THR 101 Ca 0.77 -1.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.32 1zdx s THR 101 Cb -0.29 -1.61 0.25 0.00 1.34 0.00 0.00 72.50 72.18 1zdx s THR 101 CO 0.32 -0.25 0.60 0.00 -0.54 0.00 0.00 174.62 174.75 1zdx n ALA 102 N -0.26 1.58 -2.59 3.99 0.00 -1.26 -2.02 120.51 119.95 1zdx n ALA 102 Ca -0.10 -2.96 -0.43 0.00 0.00 0.00 0.00 53.44 49.95 1zdx n ALA 102 Cb 0.63 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.77 2.89 -0.60 0.00 5.04 -0.58 -4.73 115.29 116.54 1zdx s HIS 103 Ca 0.34 0.64 -0.28 0.00 -1.54 0.00 0.00 55.06 54.23 1zdx s HIS 103 Cb 0.18 -4.17 0.02 0.00 0.04 0.00 0.00 32.58 28.66 1zdx s HIS 103 CO -0.14 -1.15 1.28 -1.17 -2.34 0.00 0.00 174.74 171.22 1zdx s LEU 104 N 4.09 3.39 -1.26 8.88 1.98 -1.26 -0.36 118.68 134.15 1zdx s LEU 104 Ca 0.43 0.08 -0.19 0.00 -2.89 0.00 0.00 54.13 51.57 1zdx s LEU 104 Cb -0.09 -3.04 0.06 0.00 0.66 0.00 0.00 46.19 43.79 1zdx s LEU 104 CO 0.28 -1.61 1.70 -0.62 -1.89 0.00 0.00 176.35 174.21 1zdx s ASP 105 N 3.55 6.75 0.55 3.68 -1.08 0.78 -4.83 116.67 126.07 1zdx s ASP 105 Ca 0.45 -2.29 0.24 0.00 -0.52 0.00 0.00 52.55 50.42 1zdx s ASP 105 Cb -0.09 -2.58 1.46 0.00 -1.46 0.00 0.00 42.92 40.25 1zdx s ASP 105 CO 0.24 -1.26 2.09 1.62 0.52 0.00 0.00 175.17 178.38 1zdx h VAL 106 N 5.76 0.73 -0.43 1.11 3.04 -1.92 -0.00 116.25 124.53 1zdx h VAL 106 Ca 0.41 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 66.03 1zdx h VAL 106 Cb 0.89 0.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.02 1zdx h VAL 106 CO 1.45 0.00 -0.01 1.23 -1.01 0.00 0.00 177.57 179.23 1zdx h GLY 107 N 0.00 0.75 -1.15 3.17 0.00 -1.95 -3.08 103.07 100.81 1zdx h GLY 107 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1zdx h GLY 107 CO -0.00 0.45 0.00 -0.18 0.00 0.00 0.00 176.54 176.81 1zdx n GLN 108 N -4.23 2.86 -4.16 4.80 -0.06 -0.99 -4.99 117.38 110.61 1zdx n GLN 108 Ca 0.02 -1.99 -0.29 0.00 -2.00 0.00 0.00 57.00 52.74 1zdx n GLN 108 Cb 0.29 -1.24 -0.06 0.00 -4.06 0.00 0.00 30.24 25.16 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 0.42 -1.87 -4.05 3.69 6.02 -0.14 -4.93 117.38 116.51 1zdx n GLN 109 Ca 0.10 0.22 -0.31 0.00 -0.01 0.00 0.00 57.00 57.00 1zdx n GLN 109 Cb 0.41 -3.94 -0.16 0.00 1.02 0.00 0.00 30.24 27.57 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 -7.04 2.40 -0.93 -1.09 3.52 -0.45 -1.42 118.95 113.94 1zdx s ARG 110 Ca 0.02 -0.88 -0.24 0.00 -0.13 0.00 0.00 55.73 54.50 1zdx s ARG 110 Cb -0.01 -2.49 0.04 0.00 -1.56 0.00 0.00 34.95 30.93 1zdx s ARG 110 CO 0.95 -0.35 1.41 -1.17 -0.81 0.00 0.00 175.30 175.33 1zdx s LEU 111 N 1.33 3.39 0.24 -0.88 2.96 0.75 -0.16 118.68 126.31 1zdx s LEU 111 Ca 0.00 -1.13 -0.31 0.00 -0.22 0.00 0.00 54.13 52.47 1zdx s LEU 111 Cb -0.15 -2.57 -0.12 0.00 0.50 0.00 0.00 46.19 43.85 1zdx s LEU 111 CO -0.10 -1.63 1.66 0.59 -1.32 0.00 0.00 176.35 175.56 1zdx n ASN 112 N 9.13 3.86 -3.90 3.68 3.02 0.52 -0.59 115.26 130.97 1zdx n ASN 112 Ca 0.24 1.10 -0.15 0.00 -0.03 0.00 0.00 54.58 55.74 1zdx n ASN 112 Cb 0.50 -1.57 -0.15 0.00 -0.61 0.00 0.00 39.78 37.96 1zdx n ASN 112 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1zdx s LEU 113 N 0.54 1.81 0.02 3.41 1.98 0.29 -1.53 118.68 125.20 1zdx s LEU 113 Ca 0.71 -0.05 0.02 0.00 -2.89 0.00 0.00 54.13 51.93 1zdx s LEU 113 Cb -0.52 -0.17 -0.02 0.00 0.66 0.00 0.00 46.19 46.14 1zdx s LEU 113 CO 0.39 0.00 -0.08 -0.89 -1.89 0.00 0.00 176.35 173.88 1zdx s THR 114 N 0.19 0.61 -0.03 3.68 2.01 -0.86 -1.12 115.64 120.12 1zdx s THR 114 Ca -0.02 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 1zdx s THR 114 Cb -0.04 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 71.90 1zdx s THR 114 CO -0.00 -0.11 0.07 -0.63 -0.69 0.00 0.00 174.62 173.25 1zdx s ILE 115 N -0.78 -0.03 0.31 1.82 1.01 -1.26 -2.61 121.20 119.66 1zdx s ILE 115 Ca -0.03 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 1zdx s ILE 115 Cb -0.06 -0.12 -0.11 0.00 0.01 0.00 0.00 42.46 42.18 1zdx s ILE 115 CO 0.00 0.04 1.51 -2.16 0.00 0.00 0.00 174.94 174.33 1zdx s PRO 116 N 0.54 4.17 0.28 2.79 0.04 -1.26 -4.89 135.00 136.66 1zdx s PRO 116 Ca -0.04 2.49 0.16 0.00 0.04 0.00 0.00 61.00 63.65 1zdx s PRO 116 Cb -0.06 -3.03 0.86 0.00 0.04 0.00 0.00 34.50 32.31 1zdx s PRO 116 CO -0.02 -0.52 1.44 1.04 0.04 0.00 0.00 177.00 178.98 1zdx n GLN 117 N 1.59 0.10 -0.23 4.56 1.13 -1.26 -0.67 117.38 122.59 1zdx n GLN 117 Ca 0.05 0.59 -0.06 0.00 -1.94 0.00 0.00 57.00 55.64 1zdx n GLN 117 Cb 0.39 -1.95 0.05 0.00 0.11 0.00 0.00 30.24 28.84 1zdx n GLN 117 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1zdx h ALA 118 N 1.70 0.84 -0.81 -1.58 0.00 -2.02 -3.25 119.26 114.14 1zdx h ALA 118 Ca 0.00 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.31 1zdx h ALA 118 Cb 0.21 -0.27 -0.24 0.00 0.00 0.00 0.00 17.79 17.50 1zdx h ALA 118 CO 0.00 0.30 0.68 1.19 0.00 0.00 0.00 179.25 181.42 1zdx n PHE 119 N -4.59 2.59 -4.46 0.00 3.01 0.15 -4.87 117.46 109.29 1zdx n PHE 119 Ca 0.05 -2.47 -0.20 0.00 1.01 0.00 0.00 57.45 55.84 1zdx n PHE 119 Cb 0.05 -1.20 -0.15 0.00 -0.01 0.00 0.00 39.48 38.17 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 -3.02 0.92 0.09 -1.08 -1.94 -1.23 -1.19 119.30 111.85 1zdx s MET 120 Ca 0.51 -0.37 0.06 0.00 -1.71 0.00 0.00 55.69 54.18 1zdx s MET 120 Cb 0.41 -0.88 -0.03 0.00 2.01 0.00 0.00 34.83 36.34 1zdx s MET 120 CO 0.01 0.21 -0.15 -1.12 -0.01 0.00 0.00 175.02 173.95 1zdx s SER 121 N -0.14 1.92 0.92 3.03 0.01 0.39 -4.66 113.70 115.15 1zdx s SER 121 Ca 0.02 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1zdx s SER 121 Cb -0.05 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1zdx s SER 121 CO -0.00 -0.07 0.00 0.59 0.41 0.00 0.00 173.24 174.16 1zdx n ASN 122 N 1.02 -0.02 0.10 2.44 3.02 -1.26 -3.80 115.26 116.76 1zdx n ASN 122 Ca -0.19 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.39 1zdx n ASN 122 Cb 0.55 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.71 1zdx n ASN 122 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1zdx h ARG 123 N 0.00 0.00 -6.50 3.52 2.47 -1.97 -3.48 114.38 108.41 1zdx h ARG 123 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 1zdx h ARG 123 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.26 1zdx h ARG 123 CO 0.00 0.31 -0.88 0.00 0.56 0.00 0.00 179.97 179.96 1zdx n ALA 124 N -2.27 -1.98 -0.89 0.04 0.00 -1.25 -5.10 120.51 109.06 1zdx n ALA 124 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1zdx n ALA 124 Cb 0.73 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1zdx n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04