#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 1.45 0.00 1.61 1.03 -1.26 -4.74 119.66 117.75 1zdx s GLN 26 Ca 0.00 -0.68 0.00 0.00 0.04 0.00 0.00 55.36 54.72 1zdx s GLN 26 Cb 0.00 0.57 0.00 0.00 0.03 0.00 0.00 33.01 33.61 1zdx s GLN 26 CO 0.00 -0.65 0.28 -0.85 -2.54 0.00 0.00 175.29 171.53 1zdx n GLU 27 N -0.41 0.00 -3.67 9.60 0.28 0.02 -4.97 120.64 121.49 1zdx n GLU 27 Ca -0.10 -0.05 -0.09 0.00 -0.16 0.00 0.00 57.16 56.75 1zdx n GLU 27 Cb 0.62 -0.04 -0.09 0.00 1.43 0.00 0.00 31.44 33.36 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 -0.49 0.83 -1.84 1.43 -0.16 -4.99 118.68 113.46 1zdx s LEU 28 Ca 0.00 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.02 1zdx s LEU 28 Cb 0.00 1.49 0.09 0.00 0.03 0.00 0.00 46.19 47.80 1zdx s LEU 28 CO 0.00 -0.22 1.09 -2.16 0.23 0.00 0.00 176.35 175.29 1zdx s PRO 29 N 2.09 1.78 1.12 1.29 0.04 -1.26 -4.53 135.00 135.53 1zdx s PRO 29 Ca -0.06 1.00 -0.19 0.00 0.04 0.00 0.00 61.00 61.80 1zdx s PRO 29 Cb -0.10 -1.85 0.27 0.00 0.04 0.00 0.00 34.50 32.86 1zdx s PRO 29 CO -0.14 -1.93 1.19 -0.35 0.04 0.00 0.00 177.00 175.82 1zdx n PRO 30 N -3.70 -2.36 0.00 0.56 -0.04 -1.26 -5.00 135.00 123.20 1zdx n PRO 30 Ca 0.08 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1zdx n PRO 30 Cb 0.54 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1zdx n PRO 30 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1zdx n GLY 31 N -4.30 -0.24 2.90 0.55 0.00 -1.11 -5.04 105.19 97.95 1zdx n GLY 31 Ca 0.16 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.00 0.22 -0.03 2.61 -1.32 -1.26 -1.09 115.64 110.76 1zdx s THR 32 Ca 0.00 -0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.43 1zdx s THR 32 Cb 0.00 -0.21 0.00 0.00 -1.51 0.00 0.00 72.50 70.78 1zdx s THR 32 CO 0.00 0.08 -0.12 -0.72 -2.21 0.00 0.00 174.62 171.65 1zdx s TYR 33 N 0.17 1.23 -0.48 9.09 -0.85 -0.88 -4.93 117.35 120.70 1zdx s TYR 33 Ca -0.01 -0.32 -0.22 0.00 -0.52 0.00 0.00 57.07 55.99 1zdx s TYR 33 Cb -0.04 -0.85 0.03 0.00 0.38 0.00 0.00 41.96 41.49 1zdx s TYR 33 CO -0.00 -0.12 0.75 0.50 -1.52 0.00 0.00 175.55 175.16 1zdx s ARG 34 N 0.10 3.31 0.22 -3.49 3.00 -1.26 -0.73 118.95 120.11 1zdx s ARG 34 Ca -0.03 -0.34 -0.06 0.00 -1.00 0.00 0.00 55.73 54.30 1zdx s ARG 34 Cb -0.09 -3.99 -0.02 0.00 0.00 0.00 0.00 34.95 30.84 1zdx s ARG 34 CO 0.01 -1.18 0.29 0.14 0.00 0.00 0.00 175.30 174.55 1zdx s VAL 35 N 3.20 0.00 -0.28 7.11 -7.23 -0.85 -4.87 120.40 117.47 1zdx s VAL 35 Ca 0.26 -1.73 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 1zdx s VAL 35 Cb -0.14 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 1zdx s VAL 35 CO 0.19 -0.00 0.41 -1.81 -0.31 0.00 0.00 175.10 173.58 1zdx s ASP 36 N -3.09 6.29 -0.46 4.85 1.01 -0.41 -2.53 116.67 122.33 1zdx s ASP 36 Ca 0.31 0.25 -0.28 0.00 0.71 0.00 0.00 52.55 53.55 1zdx s ASP 36 Cb 0.04 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 1zdx s ASP 36 CO 0.11 -0.25 1.77 -0.63 0.21 0.00 0.00 175.17 176.37 1zdx s ILE 37 N 2.15 3.49 -0.54 0.77 1.09 0.65 -0.23 121.20 128.58 1zdx s ILE 37 Ca 0.16 0.43 -0.11 0.00 -1.10 0.00 0.00 60.65 60.03 1zdx s ILE 37 Cb -0.16 -3.84 0.14 0.00 -1.06 0.00 0.00 42.46 37.53 1zdx s ILE 37 CO 0.10 -0.66 0.44 -0.31 -0.10 0.00 0.00 174.94 174.41 1zdx s TYR 38 N 7.56 3.41 -0.19 3.97 1.51 -0.15 -0.40 117.35 133.05 1zdx s TYR 38 Ca 0.72 -1.78 -0.17 0.00 -1.01 0.00 0.00 57.07 54.83 1zdx s TYR 38 Cb -0.17 -3.60 -0.04 0.00 -0.11 0.00 0.00 41.96 38.04 1zdx s TYR 38 CO 0.28 -0.99 0.44 -1.17 -1.11 0.00 0.00 175.55 173.00 1zdx s LEU 39 N 1.21 4.16 -1.33 -1.29 0.20 0.02 -0.73 118.68 120.92 1zdx s LEU 39 Ca 0.07 0.59 -0.06 0.00 0.69 0.00 0.00 54.13 55.41 1zdx s LEU 39 Cb -0.25 -2.59 -0.00 0.00 -0.43 0.00 0.00 46.19 42.92 1zdx s LEU 39 CO -0.01 -0.10 0.52 0.59 -0.29 0.00 0.00 176.35 177.06 1zdx n ASN 40 N 4.51 -1.64 -0.94 3.68 3.02 -0.27 -2.06 115.26 121.56 1zdx n ASN 40 Ca -0.07 -1.01 -0.12 0.00 -0.03 0.00 0.00 54.58 53.34 1zdx n ASN 40 Cb 0.51 -3.12 -0.05 0.00 -0.61 0.00 0.00 39.78 36.51 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 -2.89 -4.98 -4.01 6.41 3.02 -1.26 -4.99 115.26 106.56 1zdx n ASN 41 Ca -0.25 0.30 -0.22 0.00 -0.03 0.00 0.00 54.58 54.39 1zdx n ASN 41 Cb 0.66 -3.56 -0.16 0.00 -0.61 0.00 0.00 39.78 36.11 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 -2.65 0.61 0.33 7.41 0.00 -0.87 -5.07 107.32 107.07 1zdx s GLY 42 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.06 1zdx s GLY 42 CO 0.00 -0.06 1.55 2.98 0.00 0.00 0.00 173.10 177.56 1zdx n TYR 43 N 3.38 2.92 -0.00 1.90 9.36 -1.26 -0.80 117.16 132.66 1zdx n TYR 43 Ca -0.19 0.34 -0.00 0.00 3.32 0.00 0.00 57.90 61.37 1zdx n TYR 43 Cb 0.54 -2.57 -0.00 0.00 -0.63 0.00 0.00 39.34 36.68 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 1.36 0.01 -3.92 2.98 2.81 0.46 -4.86 117.12 115.96 1zdx n MET 44 Ca 0.05 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.86 1zdx n MET 44 Cb 0.38 -0.71 -0.04 0.00 -0.71 0.00 0.00 33.22 32.14 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 -2.01 -0.72 -0.14 3.04 0.00 -1.22 -5.02 121.76 115.69 1zdx s ALA 45 Ca -0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 1zdx s ALA 45 Cb 0.00 0.96 0.07 0.00 0.00 0.00 0.00 23.12 24.15 1zdx s ALA 45 CO 0.01 -0.93 0.31 0.99 0.00 0.00 0.00 175.76 176.13 1zdx s THR 46 N -3.96 -0.38 0.11 0.00 2.01 -1.26 -0.25 115.64 111.90 1zdx s THR 46 Ca 0.16 0.22 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 1zdx s THR 46 Cb -0.03 -0.49 0.08 0.00 0.01 0.00 0.00 72.50 72.06 1zdx s THR 46 CO 0.07 0.09 1.06 -2.11 -0.69 0.00 0.00 174.62 173.04 1zdx n ARG 47 N 5.12 0.48 -2.36 4.92 -4.01 -1.05 -4.98 116.66 114.78 1zdx n ARG 47 Ca -0.11 -1.20 -0.43 0.00 -1.04 0.00 0.00 57.85 55.07 1zdx n ARG 47 Cb 0.50 1.70 -0.02 0.00 -3.04 0.00 0.00 32.46 31.60 1zdx n ARG 47 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 1zdx s ASP 48 N -3.45 6.36 -0.55 2.89 -1.08 -1.26 -2.01 116.67 117.57 1zdx s ASP 48 Ca 0.24 0.84 -0.17 0.00 -0.52 0.00 0.00 52.55 52.95 1zdx s ASP 48 Cb -0.02 -2.54 0.12 0.00 -1.46 0.00 0.00 42.92 39.02 1zdx s ASP 48 CO 0.03 -1.41 0.53 -0.69 0.52 0.00 0.00 175.17 174.15 1zdx s VAL 49 N 5.36 5.14 0.36 1.11 1.01 0.09 -4.90 120.40 128.57 1zdx s VAL 49 Ca 0.61 -1.37 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 1zdx s VAL 49 Cb -0.14 -4.35 -0.10 0.00 0.00 0.00 0.00 36.38 31.79 1zdx s VAL 49 CO 0.32 -0.90 1.29 -0.89 0.00 0.00 0.00 175.10 174.92 1zdx s THR 50 N 1.81 2.73 0.07 3.92 2.01 -1.26 -2.08 115.64 122.85 1zdx s THR 50 Ca 0.05 0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.77 1zdx s THR 50 Cb -0.28 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1zdx s THR 50 CO 0.04 0.14 -0.10 0.72 -0.69 0.00 0.00 174.62 174.73 1zdx s PHE 51 N -1.21 0.93 0.22 4.92 -0.71 -0.25 0.12 117.98 122.00 1zdx s PHE 51 Ca 0.52 -0.59 0.04 0.00 -1.04 0.00 0.00 56.93 55.86 1zdx s PHE 51 Cb -0.38 -0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 40.85 1zdx s PHE 51 CO 0.50 -0.04 -0.02 -0.80 -1.34 0.00 0.00 175.22 173.52 1zdx s ASN 52 N -2.07 1.89 -0.33 1.98 0.01 -0.55 -2.73 114.94 113.14 1zdx s ASN 52 Ca -0.01 -1.19 -0.29 0.00 -0.71 0.00 0.00 52.86 50.66 1zdx s ASN 52 Cb -0.06 -0.01 0.02 0.00 0.41 0.00 0.00 41.25 41.61 1zdx s ASN 52 CO 0.00 -0.48 1.09 -0.89 -1.51 0.00 0.00 177.10 175.32 1zdx s THR 53 N -3.38 4.47 0.00 1.60 2.01 -1.26 -1.34 115.64 117.74 1zdx s THR 53 Ca 0.27 1.68 0.00 0.00 0.31 0.00 0.00 61.69 63.95 1zdx s THR 53 Cb 0.05 -4.41 0.00 0.00 0.01 0.00 0.00 72.50 68.15 1zdx s THR 53 CO 0.08 -0.51 0.00 0.61 -0.69 0.00 0.00 174.62 174.11 1zdx n GLY 54 N 3.95 4.72 2.58 4.40 0.00 -0.51 -4.93 105.19 115.40 1zdx n GLY 54 Ca 0.12 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 1zdx n GLY 54 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1zdx s ASP 55 N 1.41 1.20 0.11 1.61 1.47 -1.26 -4.45 116.67 116.75 1zdx s ASP 55 Ca 0.00 -2.22 -0.00 0.00 1.18 0.00 0.00 52.55 51.51 1zdx s ASP 55 Cb 0.00 0.24 0.00 0.00 -0.34 0.00 0.00 42.92 42.82 1zdx s ASP 55 CO 0.00 -0.21 0.14 -1.20 0.68 0.00 0.00 175.17 174.58 1zdx n SER 56 N 3.55 -0.39 -0.38 2.11 7.64 -1.26 -4.95 113.62 119.93 1zdx n SER 56 Ca 0.19 -1.59 -0.04 0.00 1.01 0.00 0.00 58.87 58.43 1zdx n SER 56 Cb 0.46 0.74 -0.00 0.00 -1.01 0.00 0.00 64.21 64.40 1zdx n SER 56 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1zdx n GLU 57 N -0.18 -0.29 0.07 1.43 -0.58 -1.26 -1.82 120.64 118.00 1zdx n GLU 57 Ca 0.01 1.49 0.09 0.00 -0.42 0.00 0.00 57.16 58.32 1zdx n GLU 57 Cb 0.18 -2.20 -0.04 0.00 -0.57 0.00 0.00 31.44 28.81 1zdx n GLU 57 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1zdx n GLN 58 N -5.36 0.62 0.00 3.49 3.00 -1.26 -4.58 117.38 113.29 1zdx n GLN 58 Ca 0.07 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1zdx n GLN 58 Cb 0.35 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 28.81 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 1.24 1.04 2.89 1.08 0.00 -0.76 -0.80 105.19 109.89 1zdx n GLY 59 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.01 -0.11 -0.61 -4.36 -1.26 -1.43 121.20 111.42 1zdx s ILE 60 Ca 0.00 0.02 0.03 0.00 -0.26 0.00 0.00 60.65 60.44 1zdx s ILE 60 Cb 0.00 -0.05 0.01 0.00 1.25 0.00 0.00 42.46 43.66 1zdx s ILE 60 CO 0.00 0.01 -0.21 0.68 0.24 0.00 0.00 174.94 175.66 1zdx s VAL 61 N 0.12 1.89 0.73 8.37 -7.23 -0.45 -4.77 120.40 119.07 1zdx s VAL 61 Ca -0.01 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.12 1zdx s VAL 61 Cb -0.01 -1.67 0.04 0.00 0.56 0.00 0.00 36.38 35.30 1zdx s VAL 61 CO -0.00 0.52 1.16 -2.84 -0.31 0.00 0.00 175.10 173.63 1zdx s PRO 62 N 0.67 2.23 -1.18 4.82 0.02 -1.26 -1.48 135.00 138.82 1zdx s PRO 62 Ca -0.12 1.57 -0.18 0.00 0.02 0.00 0.00 61.00 62.30 1zdx s PRO 62 Cb -0.16 -1.86 0.10 0.00 0.02 0.00 0.00 34.50 32.59 1zdx s PRO 62 CO 0.02 -1.72 1.54 0.00 -0.33 0.00 0.00 177.00 176.51 1zdx s LEU 64 N 3.55 4.06 0.52 0.00 1.02 -1.26 -4.80 118.68 121.76 1zdx s LEU 64 Ca 0.47 0.55 0.06 0.00 0.02 0.00 0.00 54.13 55.23 1zdx s LEU 64 Cb 0.00 -2.68 0.05 0.00 0.02 0.00 0.00 46.19 43.58 1zdx s LEU 64 CO 0.00 -0.28 0.71 0.42 0.02 0.00 0.00 176.35 177.23 1zdx s THR 65 N 2.22 2.64 0.33 5.49 -4.23 -1.24 -2.34 115.64 118.51 1zdx s THR 65 Ca 0.22 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 1zdx s THR 65 Cb -0.16 -2.76 0.26 0.00 1.34 0.00 0.00 72.50 71.19 1zdx s THR 65 CO 0.09 0.00 1.99 0.03 -0.54 0.00 0.00 174.62 176.19 1zdx h ARG 66 N 0.28 0.93 0.91 3.99 2.47 -1.75 -0.12 114.38 121.09 1zdx h ARG 66 Ca -0.38 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.24 1zdx h ARG 66 Cb 1.28 -0.21 0.01 0.00 -1.65 0.00 0.00 29.97 29.40 1zdx h ARG 66 CO 0.45 0.62 -0.44 0.00 0.56 0.00 0.00 179.97 181.16 1zdx h ALA 67 N 1.56 -1.31 -0.57 0.04 0.00 -1.80 -2.79 119.26 114.38 1zdx h ALA 67 Ca 0.26 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1zdx h ALA 67 Cb -0.10 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1zdx h ALA 67 CO -0.06 -1.22 0.17 1.96 0.00 0.00 0.00 179.25 180.10 1zdx h GLN 68 N -1.24 0.31 0.12 0.00 1.08 -1.64 0.25 115.11 113.99 1zdx h GLN 68 Ca -0.12 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 1zdx h GLN 68 Cb 0.94 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 1zdx h GLN 68 CO 0.21 0.21 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.17 1zdx h LEU 69 N 0.32 -0.14 -2.31 1.46 3.38 -1.15 -2.64 115.31 114.23 1zdx h LEU 69 Ca 0.29 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1zdx h LEU 69 Cb 0.38 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1zdx h LEU 69 CO -0.33 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.50 1zdx h ALA 70 N 0.18 1.00 -0.55 1.53 0.00 -1.17 -1.13 119.26 119.12 1zdx h ALA 70 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1zdx h ALA 70 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1zdx h ALA 70 CO 0.03 0.00 0.23 0.77 0.00 0.00 0.00 179.25 180.28 1zdx h SER 71 N 0.00 0.74 0.46 0.00 0.02 -0.16 -1.35 113.55 113.27 1zdx h SER 71 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1zdx h SER 71 Cb 0.17 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1zdx h SER 71 CO 0.00 0.70 0.00 0.23 -1.14 0.00 0.00 176.83 176.62 1zdx n MET 72 N -4.53 0.02 -0.92 3.45 2.81 -0.54 -4.84 117.12 112.58 1zdx n MET 72 Ca 0.03 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 1zdx n MET 72 Cb 0.15 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 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 -0.18 0.43 3.73 3.03 0.00 -0.51 -4.30 105.19 107.39 1zdx n GLY 73 Ca 0.03 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 4.36 -1.05 0.99 1.98 -0.56 -0.07 118.68 124.33 1zdx s LEU 74 Ca 0.00 2.86 -0.20 0.00 -2.89 0.00 0.00 54.13 53.90 1zdx s LEU 74 Cb 0.00 -3.61 0.09 0.00 0.66 0.00 0.00 46.19 43.33 1zdx s LEU 74 CO 0.00 -0.94 1.40 0.21 -1.89 0.00 0.00 176.35 175.13 1zdx s ASN 75 N 1.00 6.63 0.40 3.68 3.84 0.39 -4.12 114.94 126.75 1zdx s ASN 75 Ca 0.71 -1.89 0.07 0.00 0.21 0.00 0.00 52.86 51.96 1zdx s ASN 75 Cb -0.49 -2.51 0.83 0.00 -0.55 0.00 0.00 41.25 38.54 1zdx s ASN 75 CO 0.36 -1.27 2.03 0.71 -2.79 0.00 0.00 177.10 176.14 1zdx h THR 76 N 6.17 1.12 0.00 -5.21 1.35 -1.91 -2.35 112.91 112.08 1zdx h THR 76 Ca 0.23 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1zdx h THR 76 Cb 0.98 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1zdx h THR 76 CO 1.33 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 176.72 1zdx h ALA 77 N 1.71 1.00 0.00 6.62 0.00 -1.96 -2.29 119.26 124.34 1zdx h ALA 77 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1zdx h ALA 77 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1zdx h ALA 77 CO -0.02 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.66 1zdx n SER 78 N -2.53 0.28 -3.73 0.00 7.64 -0.88 -4.68 113.62 109.72 1zdx n SER 78 Ca 0.04 0.57 -0.26 0.00 1.01 0.00 0.00 58.87 60.23 1zdx n SER 78 Cb 0.38 -0.63 -0.17 0.00 -1.01 0.00 0.00 64.21 62.78 1zdx n SER 78 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1zdx s VAL 79 N -3.14 0.40 0.72 0.44 0.11 -0.86 -5.04 120.40 113.02 1zdx s VAL 79 Ca 0.05 -0.26 -0.16 0.00 -2.93 0.00 0.00 61.98 58.68 1zdx s VAL 79 Cb 0.09 -0.80 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 1zdx s VAL 79 CO 0.30 -0.05 1.02 0.00 -3.33 0.00 0.00 175.10 173.04 1zdx n ALA 80 N 5.11 -0.09 -1.00 1.54 0.00 -1.26 -2.69 120.51 122.11 1zdx n ALA 80 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1zdx n ALA 80 Cb 0.48 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 1.02 0.30 0.12 0.00 0.00 -1.26 -4.88 105.19 100.50 1zdx n GLY 81 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.39 0.61 0.00 1.61 0.00 -1.10 -4.53 117.12 112.32 1zdx n MET 82 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 57.70 57.89 1zdx n MET 82 Cb 0.20 -1.49 0.29 0.00 0.00 0.00 0.00 33.22 32.22 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 -3.24 0.00 -0.02 6.12 0.23 -1.26 -1.81 115.26 115.28 1zdx n ASN 83 Ca -0.44 -0.39 0.00 0.00 -0.53 0.00 0.00 54.58 53.22 1zdx n ASN 83 Cb 0.96 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.66 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 -0.94 0.70 -4.78 -4.53 -0.00 -1.26 -5.03 117.00 101.15 1zdx n LEU 84 Ca 0.07 -0.82 -0.37 0.00 -0.00 0.00 0.00 56.01 54.89 1zdx n LEU 84 Cb 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.39 1zdx n LEU 84 CO 0.06 0.17 0.65 -0.76 -0.00 0.00 0.00 177.39 177.51 1zdx s LEU 85 N -0.77 4.33 0.73 1.47 1.43 -0.75 -5.04 118.68 120.08 1zdx s LEU 85 Ca 0.01 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 1zdx s LEU 85 Cb 0.01 -4.02 0.04 0.00 0.03 0.00 0.00 46.19 42.24 1zdx s LEU 85 CO 0.02 -0.09 1.10 0.00 0.23 0.00 0.00 176.35 177.61 1zdx s ALA 86 N -1.62 2.32 -1.98 4.21 0.00 -1.26 -4.72 121.76 118.72 1zdx s ALA 86 Ca 0.50 0.40 0.16 0.00 0.00 0.00 0.00 51.96 53.02 1zdx s ALA 86 Cb -0.19 -3.30 0.96 0.00 0.00 0.00 0.00 23.12 20.59 1zdx s ALA 86 CO 0.24 -1.59 1.38 -0.25 0.00 0.00 0.00 175.76 175.53 1zdx n ASP 87 N -3.08 0.00 -1.96 0.00 10.43 -1.26 -1.72 116.55 118.96 1zdx n ASP 87 Ca 0.10 -0.48 -0.04 0.00 2.57 0.00 0.00 54.79 56.93 1zdx n ASP 87 Cb 0.52 -0.01 0.06 0.00 1.84 0.00 0.00 41.12 43.54 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1zdx n ASP 88 N -1.01 2.33 -4.76 -2.24 5.75 -1.26 -4.13 116.55 111.22 1zdx n ASP 88 Ca 0.12 -2.77 -0.33 0.00 -0.01 0.00 0.00 54.79 51.79 1zdx n ASP 88 Cb 0.06 -0.41 -0.07 0.00 -1.03 0.00 0.00 41.12 39.66 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1zdx s ALA 89 N -2.80 3.53 -1.10 2.12 0.00 -0.70 -5.01 121.76 117.79 1zdx s ALA 89 Ca 0.37 -0.86 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 1zdx s ALA 89 Cb 0.37 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1zdx s ALA 89 CO -0.05 0.67 1.78 0.00 0.00 0.00 0.00 175.76 178.16 1zdx n VAL 91 N 7.28 3.59 -1.99 0.00 0.31 -0.99 -4.87 118.33 121.67 1zdx n VAL 91 Ca 0.42 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.98 1zdx n VAL 91 Cb 0.47 -1.69 -0.07 0.00 -0.91 0.00 0.00 33.84 31.65 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 -0.82 1.41 -0.19 5.55 -0.04 -1.26 -4.76 135.00 134.89 1zdx n PRO 92 Ca 0.09 -2.36 -0.09 0.00 -0.04 0.00 0.00 63.50 61.10 1zdx n PRO 92 Cb 0.44 -3.75 0.01 0.00 -0.04 0.00 0.00 33.50 30.16 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 18.31 0.83 0.00 1.53 7.12 -1.89 -1.94 115.31 139.28 1zdx h LEU 93 Ca 0.20 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 57.95 1zdx h LEU 93 Cb 0.94 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1zdx h LEU 93 CO 1.21 0.88 -1.44 0.35 -0.13 0.00 0.00 178.44 179.31 1zdx n THR 94 N -4.38 0.00 -0.02 1.05 -2.24 -1.26 -3.27 114.28 104.15 1zdx n THR 94 Ca 0.02 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.57 1zdx n THR 94 Cb 0.26 0.56 -0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1zdx n THR 94 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1zdx h THR 95 N 0.00 0.00 0.00 4.28 2.02 -1.93 -3.40 112.91 113.88 1zdx h THR 95 Ca 0.00 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1zdx h THR 95 Cb 0.72 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1zdx h THR 95 CO 0.00 0.00 -0.01 0.24 0.37 0.00 0.00 175.52 176.12 1zdx h MET 96 N -1.02 0.00 -4.77 6.66 2.07 -1.52 -3.37 114.93 112.99 1zdx h MET 96 Ca -0.01 0.00 -0.68 0.00 -2.07 0.00 0.00 59.70 56.94 1zdx h MET 96 Cb 0.05 0.00 -0.31 0.00 -1.87 0.00 0.00 31.60 29.46 1zdx h MET 96 CO 0.01 0.01 -0.68 0.08 1.07 0.00 0.00 176.91 177.40 1zdx s VAL 97 N -3.67 3.20 0.85 -2.22 1.01 -1.20 -4.97 120.40 113.40 1zdx s VAL 97 Ca 0.01 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.63 1zdx s VAL 97 Cb 0.09 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.77 1zdx s VAL 97 CO 0.55 -0.08 1.12 -1.58 0.00 0.00 0.00 175.10 175.10 1zdx s GLN 98 N 1.31 1.62 0.00 2.72 2.00 -1.26 -3.63 119.66 122.42 1zdx s GLN 98 Ca -0.04 1.35 0.00 0.00 -2.00 0.00 0.00 55.36 54.67 1zdx s GLN 98 Cb -0.19 -1.81 0.00 0.00 0.80 0.00 0.00 33.01 31.81 1zdx s GLN 98 CO -0.00 -2.15 0.00 -3.47 -0.50 0.00 0.00 175.29 169.17 1zdx n ASP 99 N -3.88 0.00 -4.74 6.67 -0.08 -1.26 -4.51 116.55 108.74 1zdx n ASP 99 Ca 0.10 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.04 1zdx n ASP 99 Cb 0.53 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.05 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 0.00 2.32 0.09 -1.67 0.00 -1.24 -4.80 121.76 116.46 1zdx s ALA 100 Ca 0.00 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.75 1zdx s ALA 100 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1zdx s ALA 100 CO 0.00 -1.53 0.15 0.95 0.00 0.00 0.00 175.76 175.33 1zdx s THR 101 N -1.93 0.15 -0.35 0.00 -4.23 -1.05 -4.82 115.64 103.42 1zdx s THR 101 Ca 0.74 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1zdx s THR 101 Cb -0.28 -1.41 0.13 0.00 1.34 0.00 0.00 72.50 72.28 1zdx s THR 101 CO 0.41 -0.70 0.19 0.00 -0.54 0.00 0.00 174.62 173.98 1zdx s ALA 102 N -3.88 1.22 -0.31 3.99 0.00 -1.26 -1.98 121.76 119.53 1zdx s ALA 102 Ca 0.06 -1.86 -0.03 0.00 0.00 0.00 0.00 51.96 50.14 1zdx s ALA 102 Cb 0.05 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.59 1zdx s ALA 102 CO -0.10 -1.96 0.02 -1.58 0.00 0.00 0.00 175.76 172.14 1zdx s HIS 103 N 1.17 3.26 -0.57 0.00 5.04 0.41 -4.80 115.29 119.80 1zdx s HIS 103 Ca 0.15 -1.78 -0.28 0.00 -1.54 0.00 0.00 55.06 51.61 1zdx s HIS 103 Cb -0.21 -2.15 0.03 0.00 0.04 0.00 0.00 32.58 30.29 1zdx s HIS 103 CO -0.09 -0.79 1.24 -1.17 -2.34 0.00 0.00 174.74 171.59 1zdx s LEU 104 N 1.28 3.44 -0.98 8.88 1.98 -1.26 -0.40 118.68 131.62 1zdx s LEU 104 Ca -0.04 0.15 -0.24 0.00 -2.89 0.00 0.00 54.13 51.11 1zdx s LEU 104 Cb -0.20 -3.15 0.05 0.00 0.66 0.00 0.00 46.19 43.55 1zdx s LEU 104 CO -0.00 -1.53 1.44 -0.62 -1.89 0.00 0.00 176.35 173.75 1zdx s ASP 105 N 3.27 6.43 0.53 3.68 3.68 0.56 -4.87 116.67 129.95 1zdx s ASP 105 Ca 0.45 -1.30 0.23 0.00 2.13 0.00 0.00 52.55 54.06 1zdx s ASP 105 Cb -0.08 -2.57 1.46 0.00 -1.45 0.00 0.00 42.92 40.28 1zdx s ASP 105 CO 0.25 -1.57 2.14 1.62 0.13 0.00 0.00 175.17 177.74 1zdx h VAL 106 N 6.71 0.75 -0.32 1.11 3.04 -1.93 0.57 116.25 126.17 1zdx h VAL 106 Ca 0.14 -0.25 -0.11 0.00 -1.01 0.00 0.00 66.70 65.47 1zdx h VAL 106 Cb 1.02 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1zdx h VAL 106 CO 1.41 0.06 -0.26 1.23 -1.01 0.00 0.00 177.57 179.00 1zdx h GLY 107 N 0.30 0.69 -0.61 3.17 0.00 -1.94 -2.86 103.07 101.82 1zdx h GLY 107 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1zdx h GLY 107 CO 0.01 0.54 0.00 -0.18 0.00 0.00 0.00 176.54 176.91 1zdx n GLN 108 N -4.10 2.43 -3.99 4.80 -0.06 -1.22 -5.00 117.38 110.24 1zdx n GLN 108 Ca -0.00 -2.24 -0.34 0.00 -2.00 0.00 0.00 57.00 52.41 1zdx n GLN 108 Cb 0.43 -1.40 -0.01 0.00 -4.06 0.00 0.00 30.24 25.21 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 -0.60 -1.44 -3.86 3.69 6.02 -0.57 -4.90 117.38 115.72 1zdx n GLN 109 Ca 0.12 0.26 -0.29 0.00 -0.01 0.00 0.00 57.00 57.09 1zdx n GLN 109 Cb 0.55 -3.67 -0.16 0.00 1.02 0.00 0.00 30.24 27.98 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 -6.82 1.24 -0.96 -1.09 3.52 0.09 -1.29 118.95 113.63 1zdx s ARG 110 Ca 0.27 -0.64 -0.24 0.00 -0.13 0.00 0.00 55.73 54.99 1zdx s ARG 110 Cb -0.12 -2.22 0.04 0.00 -1.56 0.00 0.00 34.95 31.08 1zdx s ARG 110 CO 0.93 -0.55 1.46 -1.17 -0.81 0.00 0.00 175.30 175.16 1zdx s LEU 111 N 1.63 3.41 -0.16 -0.88 2.96 0.69 -0.32 118.68 126.00 1zdx s LEU 111 Ca -0.02 -1.20 -0.29 0.00 -0.22 0.00 0.00 54.13 52.41 1zdx s LEU 111 Cb -0.17 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.90 1zdx s LEU 111 CO -0.07 -1.67 2.00 0.20 -1.32 0.00 0.00 176.35 175.49 1zdx s ASN 112 N 5.04 5.92 -0.04 3.68 0.01 0.47 -0.98 114.94 129.05 1zdx s ASN 112 Ca 0.46 1.98 0.03 0.00 -0.71 0.00 0.00 52.86 54.62 1zdx s ASN 112 Cb -0.02 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1zdx s ASN 112 CO -0.05 -1.57 -0.12 -0.22 -1.51 0.00 0.00 177.10 173.63 1zdx s LEU 113 N 6.60 1.78 0.03 0.60 1.98 0.09 -0.44 118.68 129.33 1zdx s LEU 113 Ca 0.90 -0.25 0.02 0.00 -2.89 0.00 0.00 54.13 51.90 1zdx s LEU 113 Cb -0.33 -0.72 -0.02 0.00 0.66 0.00 0.00 46.19 45.78 1zdx s LEU 113 CO 0.35 0.08 -0.07 -0.89 -1.89 0.00 0.00 176.35 173.94 1zdx s THR 114 N 0.26 0.49 -0.08 3.68 2.01 -0.84 -1.11 115.64 120.05 1zdx s THR 114 Ca -0.06 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 1zdx s THR 114 Cb -0.11 -0.54 0.03 0.00 0.01 0.00 0.00 72.50 71.89 1zdx s THR 114 CO 0.02 -0.31 0.30 -0.63 -0.69 0.00 0.00 174.62 173.31 1zdx s ILE 115 N -1.17 0.02 0.38 1.82 1.01 -1.26 -2.52 121.20 119.48 1zdx s ILE 115 Ca -0.08 -0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.15 1zdx s ILE 115 Cb -0.09 -0.47 -0.09 0.00 0.01 0.00 0.00 42.46 41.82 1zdx s ILE 115 CO 0.00 -0.08 1.26 -2.16 0.00 0.00 0.00 174.94 173.96 1zdx s PRO 116 N -0.28 4.13 0.65 2.79 0.04 -1.26 -4.90 135.00 136.16 1zdx s PRO 116 Ca -0.04 2.07 0.42 0.00 0.04 0.00 0.00 61.00 63.49 1zdx s PRO 116 Cb -0.03 -2.84 2.27 0.00 0.04 0.00 0.00 34.50 33.93 1zdx s PRO 116 CO 0.01 -0.33 2.33 1.96 0.04 0.00 0.00 177.00 181.01 1zdx h GLN 117 N 2.91 0.00 -0.05 4.56 1.08 -1.99 -0.20 115.11 121.42 1zdx h GLN 117 Ca -0.49 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 56.73 1zdx h GLN 117 Cb 1.24 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1zdx h GLN 117 CO 0.63 0.00 0.06 0.00 -0.95 0.00 0.00 178.83 178.58 1zdx h ALA 118 N 2.00 1.60 -0.82 3.87 0.00 -2.02 -1.87 119.26 122.03 1zdx h ALA 118 Ca -0.00 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1zdx h ALA 118 Cb 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.51 1zdx h ALA 118 CO 0.00 -0.09 0.03 1.19 0.00 0.00 0.00 179.25 180.38 1zdx n PHE 119 N -3.81 2.78 -5.08 0.00 3.01 -0.09 -4.93 117.46 109.34 1zdx n PHE 119 Ca -0.02 -2.49 -0.30 0.00 1.01 0.00 0.00 57.45 55.66 1zdx n PHE 119 Cb 0.16 -0.85 -0.17 0.00 -0.01 0.00 0.00 39.48 38.61 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 -3.65 2.62 -0.50 -1.08 -1.94 -0.70 -0.46 119.30 113.58 1zdx s MET 120 Ca 0.56 -0.78 -0.06 0.00 -1.71 0.00 0.00 55.69 53.70 1zdx s MET 120 Cb 0.45 -2.06 0.13 0.00 2.01 0.00 0.00 34.83 35.37 1zdx s MET 120 CO 0.02 0.19 0.35 0.45 -0.01 0.00 0.00 175.02 176.01 1zdx s SER 121 N 0.29 5.55 0.56 3.03 0.15 0.90 -4.72 113.70 119.46 1zdx s SER 121 Ca -0.14 -2.17 0.00 0.00 0.70 0.00 0.00 55.95 54.34 1zdx s SER 121 Cb -0.16 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1zdx s SER 121 CO 0.07 -0.58 0.00 0.59 1.20 0.00 0.00 173.24 174.51 1zdx n ASN 122 N 4.50 -7.38 -2.65 5.45 3.02 -1.26 -4.18 115.26 112.76 1zdx n ASN 122 Ca -0.02 0.95 -0.26 0.00 -0.03 0.00 0.00 54.58 55.21 1zdx n ASN 122 Cb 0.41 -2.66 -0.08 0.00 -0.61 0.00 0.00 39.78 36.83 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 -3.32 2.89 -4.08 3.52 1.74 -1.26 -4.69 116.66 111.46 1zdx n ARG 123 Ca 0.01 -2.02 -0.31 0.00 -0.77 0.00 0.00 57.85 54.75 1zdx n ARG 123 Cb 0.40 -2.31 -0.02 0.00 -1.02 0.00 0.00 32.46 29.52 1zdx n ARG 123 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zdx n ALA 124 N 2.14 -1.54 0.83 7.54 0.00 -1.26 -5.07 120.51 123.15 1zdx n ALA 124 Ca 0.55 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.98 1zdx n ALA 124 Cb 0.57 -2.89 0.39 0.00 0.00 0.00 0.00 19.45 17.52 1zdx n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04