#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 4.26 0.00 1.61 -1.52 -1.26 -4.25 119.66 118.50 1zdx s GLN 26 Ca 0.00 1.92 0.00 0.00 -1.95 0.00 0.00 55.36 55.33 1zdx s GLN 26 Cb 0.00 -3.68 0.00 0.00 -0.22 0.00 0.00 33.01 29.11 1zdx s GLN 26 CO 0.00 -0.63 0.78 -0.85 -0.25 0.00 0.00 175.29 174.33 1zdx n GLU 27 N 5.88 0.00 -3.67 2.91 0.28 -0.13 -4.95 120.64 120.95 1zdx n GLU 27 Ca 0.14 -0.63 -0.15 0.00 -0.16 0.00 0.00 57.16 56.36 1zdx n GLU 27 Cb 0.44 -0.33 -0.14 0.00 1.43 0.00 0.00 31.44 32.83 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 -0.12 0.73 -1.84 1.43 -0.33 -5.00 118.68 113.55 1zdx s LEU 28 Ca 0.00 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.42 1zdx s LEU 28 Cb 0.00 0.47 0.04 0.00 0.03 0.00 0.00 46.19 46.73 1zdx s LEU 28 CO 0.00 -0.24 1.10 -2.16 0.23 0.00 0.00 176.35 175.29 1zdx s PRO 29 N 2.27 2.41 1.04 1.29 0.04 -1.26 -4.64 135.00 136.15 1zdx s PRO 29 Ca 0.01 1.28 -0.14 0.00 0.04 0.00 0.00 61.00 62.20 1zdx s PRO 29 Cb -0.12 -1.91 0.21 0.00 0.04 0.00 0.00 34.50 32.72 1zdx s PRO 29 CO -0.07 -1.54 1.10 -1.25 0.04 0.00 0.00 177.00 175.28 1zdx s PRO 30 N -4.57 0.06 0.00 0.56 0.04 -1.26 -5.00 135.00 124.83 1zdx s PRO 30 Ca 0.64 0.37 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1zdx s PRO 30 Cb -0.19 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1zdx s PRO 30 CO 0.50 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 175.01 1zdx n GLY 31 N -1.10 -0.64 3.14 0.56 0.00 -1.14 -5.04 105.19 100.97 1zdx n GLY 31 Ca 0.07 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 0.03 -0.05 2.61 -1.32 -1.26 -2.02 115.64 109.63 1zdx s THR 32 Ca 0.00 -0.25 0.01 0.00 -1.21 0.00 0.00 61.69 60.24 1zdx s THR 32 Cb 0.00 -0.41 0.02 0.00 -1.51 0.00 0.00 72.50 70.60 1zdx s THR 32 CO 0.00 -0.14 -0.06 -0.72 -2.21 0.00 0.00 174.62 171.49 1zdx s TYR 33 N -0.50 0.89 -0.35 9.09 -0.85 -0.91 -4.92 117.35 119.81 1zdx s TYR 33 Ca -0.06 -0.28 -0.29 0.00 -0.52 0.00 0.00 57.07 55.92 1zdx s TYR 33 Cb -0.04 -0.76 0.01 0.00 0.38 0.00 0.00 41.96 41.56 1zdx s TYR 33 CO 0.01 -0.22 1.23 0.50 -1.52 0.00 0.00 175.55 175.56 1zdx s ARG 34 N 0.93 3.88 0.31 -3.49 6.06 -1.26 -0.60 118.95 124.78 1zdx s ARG 34 Ca -0.11 1.06 -0.11 0.00 -2.50 0.00 0.00 55.73 54.07 1zdx s ARG 34 Cb -0.14 -3.87 0.01 0.00 0.06 0.00 0.00 34.95 31.01 1zdx s ARG 34 CO 0.00 -1.17 0.57 0.14 -2.50 0.00 0.00 175.30 172.34 1zdx s VAL 35 N 4.34 0.00 -0.24 7.11 -7.23 -0.71 -4.88 120.40 118.80 1zdx s VAL 35 Ca 0.53 -1.34 -0.08 0.00 -1.81 0.00 0.00 61.98 59.28 1zdx s VAL 35 Cb -0.14 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1zdx s VAL 35 CO 0.24 0.00 0.08 -1.81 -0.31 0.00 0.00 175.10 173.29 1zdx s ASP 36 N -3.08 5.31 -0.29 4.85 1.01 -0.68 -1.84 116.67 121.94 1zdx s ASP 36 Ca 0.22 -0.13 -0.29 0.00 0.71 0.00 0.00 52.55 53.06 1zdx s ASP 36 Cb -0.02 -1.95 0.01 0.00 1.01 0.00 0.00 42.92 41.98 1zdx s ASP 36 CO 0.13 0.01 1.07 -0.63 0.21 0.00 0.00 175.17 175.96 1zdx s ILE 37 N 1.34 4.54 -0.25 0.77 1.09 0.77 -0.28 121.20 129.18 1zdx s ILE 37 Ca 0.05 1.80 0.02 0.00 -1.10 0.00 0.00 60.65 61.43 1zdx s ILE 37 Cb -0.15 -4.38 0.05 0.00 -1.06 0.00 0.00 42.46 36.93 1zdx s ILE 37 CO 0.04 -0.40 -0.11 -0.31 -0.10 0.00 0.00 174.94 174.06 1zdx s TYR 38 N 3.55 3.20 -0.18 3.97 1.51 -0.10 -1.07 117.35 128.23 1zdx s TYR 38 Ca 0.45 -2.18 -0.06 0.00 -1.01 0.00 0.00 57.07 54.27 1zdx s TYR 38 Cb -0.13 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1zdx s TYR 38 CO 0.13 -0.86 0.03 -1.17 -1.11 0.00 0.00 175.55 172.57 1zdx s LEU 39 N 1.14 3.54 -1.57 -1.29 2.96 0.14 -0.18 118.68 123.43 1zdx s LEU 39 Ca -0.07 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.69 1zdx s LEU 39 Cb -0.19 -1.89 0.09 0.00 0.50 0.00 0.00 46.19 44.70 1zdx s LEU 39 CO -0.06 0.14 0.70 0.59 -1.32 0.00 0.00 176.35 176.40 1zdx n ASN 40 N 3.77 -2.54 -2.07 3.68 3.02 -1.16 -1.10 115.26 118.85 1zdx n ASN 40 Ca -0.17 -0.97 -0.10 0.00 -0.03 0.00 0.00 54.58 53.31 1zdx n ASN 40 Cb 0.52 -3.07 0.04 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 -2.80 -3.18 -3.63 6.41 5.03 -1.26 -5.06 115.26 110.77 1zdx n ASN 41 Ca -0.06 -0.28 -0.11 0.00 0.87 0.00 0.00 54.58 55.00 1zdx n ASN 41 Cb 0.56 -2.70 -0.07 0.00 -1.02 0.00 0.00 39.78 36.55 1zdx n ASN 41 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1zdx s GLY 42 N -3.38 -0.54 0.51 7.41 0.00 -0.26 -5.15 107.32 105.91 1zdx s GLY 42 Ca 0.16 2.25 -0.21 0.00 0.00 0.00 0.00 44.72 46.91 1zdx s GLY 42 CO 0.35 2.02 0.99 2.98 0.00 0.00 0.00 173.10 179.45 1zdx n TYR 43 N 3.30 1.03 0.02 1.90 4.19 -1.26 0.28 117.16 126.61 1zdx n TYR 43 Ca -0.16 0.49 0.00 0.00 3.31 0.00 0.00 57.90 61.53 1zdx n TYR 43 Cb 0.57 -2.19 0.00 0.00 0.49 0.00 0.00 39.34 38.20 1zdx n TYR 43 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 1zdx n MET 44 N -0.40 0.00 -4.08 2.98 2.81 -0.23 -4.78 117.12 113.41 1zdx n MET 44 Ca 0.11 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.90 1zdx n MET 44 Cb 0.43 -0.25 -0.09 0.00 -0.71 0.00 0.00 33.22 32.61 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 -2.00 0.53 -0.09 3.04 0.00 -1.22 -4.94 121.76 117.09 1zdx s ALA 45 Ca 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 51.96 50.66 1zdx s ALA 45 Cb 0.00 0.93 0.04 0.00 0.00 0.00 0.00 23.12 24.09 1zdx s ALA 45 CO 0.00 -0.57 0.21 0.99 0.00 0.00 0.00 175.76 176.39 1zdx s THR 46 N -4.03 -0.04 -0.07 0.00 2.01 -1.26 -0.16 115.64 112.09 1zdx s THR 46 Ca 0.23 0.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.06 1zdx s THR 46 Cb 0.06 -0.32 0.12 0.00 0.01 0.00 0.00 72.50 72.37 1zdx s THR 46 CO 0.03 0.06 1.37 0.00 -0.69 0.00 0.00 174.62 175.38 1zdx s ARG 47 N 1.08 0.15 -0.72 4.92 1.70 -0.77 -5.01 118.95 120.30 1zdx s ARG 47 Ca -0.08 -0.09 -0.26 0.00 -0.47 0.00 0.00 55.73 54.83 1zdx s ARG 47 Cb -0.10 0.05 -0.01 0.00 -0.57 0.00 0.00 34.95 34.33 1zdx s ARG 47 CO -0.07 -0.07 1.69 -0.51 -1.08 0.00 0.00 175.30 175.26 1zdx s ASP 48 N -3.36 5.59 -0.67 -2.89 1.01 -1.26 -1.73 116.67 113.36 1zdx s ASP 48 Ca 0.21 -0.18 -0.24 0.00 0.71 0.00 0.00 52.55 53.06 1zdx s ASP 48 Cb 0.04 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.48 1zdx s ASP 48 CO -0.04 -2.22 1.04 -0.69 0.21 0.00 0.00 175.17 173.47 1zdx s VAL 49 N 8.01 4.17 0.15 -1.27 1.01 0.23 -4.77 120.40 127.93 1zdx s VAL 49 Ca 0.57 -0.09 -0.32 0.00 0.00 0.00 0.00 61.98 62.14 1zdx s VAL 49 Cb -0.09 -4.73 -0.12 0.00 0.00 0.00 0.00 36.38 31.44 1zdx s VAL 49 CO 0.13 -1.52 1.77 0.41 0.00 0.00 0.00 175.10 175.89 1zdx n THR 50 N 6.07 0.21 -4.40 3.92 -1.04 -1.26 -2.13 114.28 115.65 1zdx n THR 50 Ca -0.01 -0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 61.72 1zdx n THR 50 Cb 0.47 -1.99 -0.09 0.00 -1.82 0.00 0.00 70.33 66.90 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 2.03 2.46 0.34 -1.42 -0.71 -0.85 0.16 117.98 119.99 1zdx s PHE 51 Ca 0.80 -0.31 0.06 0.00 -1.04 0.00 0.00 56.93 56.44 1zdx s PHE 51 Cb -0.53 -1.12 -0.07 0.00 -1.21 0.00 0.00 43.02 40.10 1zdx s PHE 51 CO 0.36 0.66 0.00 -0.80 -1.34 0.00 0.00 175.22 174.10 1zdx s ASN 52 N -3.59 2.98 0.17 1.98 -0.87 0.09 -2.88 114.94 112.82 1zdx s ASN 52 Ca 0.31 -1.31 -0.34 0.00 -1.57 0.00 0.00 52.86 49.95 1zdx s ASN 52 Cb -0.05 -0.21 -0.14 0.00 -0.02 0.00 0.00 41.25 40.83 1zdx s ASN 52 CO 0.17 -0.46 1.54 0.41 -2.57 0.00 0.00 177.10 176.19 1zdx n THR 53 N -0.74 0.13 -0.79 1.60 -1.04 -1.26 -1.41 114.28 110.77 1zdx n THR 53 Ca -0.04 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1zdx n THR 53 Cb 0.66 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 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 3.17 2.27 2.67 3.41 0.00 -0.91 -4.64 105.19 111.17 1zdx n GLY 54 Ca 0.16 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 1.66 0.01 1.61 1.01 -1.26 -3.86 116.67 117.84 1zdx s ASP 55 Ca 0.00 -0.20 -0.11 0.00 0.71 0.00 0.00 52.55 52.95 1zdx s ASP 55 Cb 0.00 -0.25 0.04 0.00 1.01 0.00 0.00 42.92 43.72 1zdx s ASP 55 CO 0.00 -0.27 0.53 -1.20 0.21 0.00 0.00 175.17 174.43 1zdx n SER 56 N 5.25 -0.58 -0.24 0.27 7.64 -1.26 -4.70 113.62 120.00 1zdx n SER 56 Ca -0.05 -1.18 0.03 0.00 1.01 0.00 0.00 58.87 58.68 1zdx n SER 56 Cb 0.50 0.91 0.13 0.00 -1.01 0.00 0.00 64.21 64.73 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 0.07 0.00 1.43 4.39 -1.91 -1.81 114.58 116.75 1zdx h GLU 57 Ca -0.10 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1zdx h GLU 57 Cb 0.51 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1zdx h GLU 57 CO 0.14 0.05 -0.49 1.04 -1.16 0.00 0.00 179.01 178.58 1zdx n GLN 58 N -5.37 0.14 -0.30 2.33 3.00 -1.26 -4.50 117.38 111.43 1zdx n GLN 58 Ca 0.12 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1zdx n GLN 58 Cb 0.43 -1.59 0.00 0.00 0.00 0.00 0.00 30.24 29.07 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 1.42 0.83 3.23 1.08 0.00 -0.68 -0.96 105.19 110.11 1zdx n GLY 59 Ca 0.05 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1zdx n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1zdx s ILE 60 N -2.00 0.10 0.04 -0.61 -4.36 -1.25 -2.14 121.20 110.98 1zdx s ILE 60 Ca 0.00 -0.86 0.02 0.00 -0.26 0.00 0.00 60.65 59.55 1zdx s ILE 60 Cb 0.00 -1.09 -0.02 0.00 1.25 0.00 0.00 42.46 42.60 1zdx s ILE 60 CO 0.00 -0.47 -0.08 0.68 0.24 0.00 0.00 174.94 175.30 1zdx s VAL 61 N -3.12 0.59 0.67 8.37 -7.23 -0.50 -4.34 120.40 114.84 1zdx s VAL 61 Ca -0.01 -0.95 -0.13 0.00 -1.81 0.00 0.00 61.98 59.07 1zdx s VAL 61 Cb 0.01 -0.62 0.00 0.00 0.56 0.00 0.00 36.38 36.34 1zdx s VAL 61 CO -0.07 -0.27 1.08 -2.16 -0.31 0.00 0.00 175.10 173.38 1zdx s PRO 62 N -1.33 2.84 -1.40 4.82 0.04 -1.26 -0.73 135.00 137.98 1zdx s PRO 62 Ca -0.07 1.22 -0.13 0.00 0.04 0.00 0.00 61.00 62.07 1zdx s PRO 62 Cb -0.09 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.57 1zdx s PRO 62 CO 0.00 -1.20 2.10 0.00 0.04 0.00 0.00 177.00 177.94 1zdx s LEU 64 N 1.47 4.34 0.47 0.00 1.02 -1.26 -4.86 118.68 119.86 1zdx s LEU 64 Ca 0.45 1.65 0.03 0.00 0.02 0.00 0.00 54.13 56.28 1zdx s LEU 64 Cb 0.12 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 42.73 1zdx s LEU 64 CO -0.05 -0.31 0.01 0.42 0.02 0.00 0.00 176.35 176.44 1zdx s THR 65 N 1.22 1.48 0.21 5.49 -4.23 -1.26 -0.38 115.64 118.17 1zdx s THR 65 Ca 0.52 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.94 1zdx s THR 65 Cb -0.21 -2.48 0.15 0.00 1.34 0.00 0.00 72.50 71.31 1zdx s THR 65 CO 0.26 0.00 1.82 -0.09 -0.54 0.00 0.00 174.62 176.07 1zdx h ARG 66 N 1.51 0.74 0.28 3.99 2.43 -1.61 -1.15 114.38 120.57 1zdx h ARG 66 Ca -0.44 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1zdx h ARG 66 Cb 1.29 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1zdx h ARG 66 CO 0.77 0.49 -0.18 0.00 -1.51 0.00 0.00 179.97 179.54 1zdx h ALA 67 N 1.35 -0.43 -0.64 2.80 0.00 -1.80 0.04 119.26 120.57 1zdx h ALA 67 Ca 0.31 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1zdx h ALA 67 Cb 0.16 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1zdx h ALA 67 CO -0.17 -0.76 0.43 1.96 0.00 0.00 0.00 179.25 180.71 1zdx h GLN 68 N -0.45 0.40 0.04 0.00 1.08 -1.57 0.16 115.11 114.78 1zdx h GLN 68 Ca -0.03 -0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 56.98 1zdx h GLN 68 Cb 0.38 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1zdx h GLN 68 CO 0.02 0.26 -0.89 -0.07 -0.95 0.00 0.00 178.83 177.21 1zdx h LEU 69 N 0.41 0.13 -2.36 1.46 3.38 -1.11 -3.20 115.31 114.03 1zdx h LEU 69 Ca 0.30 -0.78 0.03 0.00 0.09 0.00 0.00 57.88 57.51 1zdx h LEU 69 Cb 0.62 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1zdx h LEU 69 CO -0.08 1.37 0.12 0.00 0.09 0.00 0.00 178.44 179.93 1zdx h ALA 70 N -0.18 1.63 0.68 1.53 0.00 -0.62 -1.80 119.26 120.50 1zdx h ALA 70 Ca -0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1zdx h ALA 70 Cb 1.36 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1zdx h ALA 70 CO -0.05 -0.17 -0.33 1.03 0.00 0.00 0.00 179.25 179.74 1zdx h SER 71 N 0.00 -0.77 0.00 0.00 0.87 -0.74 -2.92 113.55 109.98 1zdx h SER 71 Ca 0.05 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1zdx h SER 71 Cb 0.28 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1zdx h SER 71 CO -0.00 -0.52 0.00 1.15 -0.53 0.00 0.00 176.83 176.93 1zdx n MET 72 N -4.61 0.21 -0.71 2.24 0.00 -0.91 -4.65 117.12 108.69 1zdx n MET 72 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.59 1zdx n MET 72 Cb 0.36 -1.10 0.00 0.00 0.00 0.00 0.00 33.22 32.48 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 -0.35 0.63 3.77 3.17 0.00 -1.02 -4.60 105.19 106.79 1zdx n GLY 73 Ca 0.01 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 4.16 -0.85 0.99 1.98 -0.73 -2.28 118.68 121.95 1zdx s LEU 74 Ca 0.00 2.91 -0.19 0.00 -2.89 0.00 0.00 54.13 53.96 1zdx s LEU 74 Cb 0.00 -3.89 0.12 0.00 0.66 0.00 0.00 46.19 43.09 1zdx s LEU 74 CO 0.00 -1.09 1.05 0.21 -1.89 0.00 0.00 176.35 174.63 1zdx s ASN 75 N -0.47 6.52 0.51 3.68 3.84 -0.16 -4.27 114.94 124.59 1zdx s ASN 75 Ca 0.59 -1.85 0.17 0.00 0.21 0.00 0.00 52.86 51.98 1zdx s ASN 75 Cb -0.44 -2.39 1.26 0.00 -0.55 0.00 0.00 41.25 39.14 1zdx s ASN 75 CO 0.57 -1.11 2.13 0.71 -2.79 0.00 0.00 177.10 176.60 1zdx h THR 76 N 5.81 0.99 0.00 -5.21 1.35 -1.93 -2.29 112.91 111.63 1zdx h THR 76 Ca 0.04 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1zdx h THR 76 Cb 1.04 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1zdx h THR 76 CO 1.10 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 176.41 1zdx h ALA 77 N 1.97 1.00 0.00 6.62 0.00 -1.96 -2.87 119.26 124.02 1zdx h ALA 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zdx h ALA 77 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1zdx h ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.02 1zdx h SER 78 N 0.00 0.00 -3.65 0.00 0.02 -1.74 -3.43 113.55 104.76 1zdx h SER 78 Ca 0.00 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.31 1zdx h SER 78 Cb 0.69 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.84 1zdx h SER 78 CO 0.00 0.00 -0.77 -0.69 -1.14 0.00 0.00 176.83 174.23 1zdx s VAL 79 N -3.41 1.84 -0.28 2.27 1.01 -1.09 -5.04 120.40 115.70 1zdx s VAL 79 Ca 0.03 -1.69 -0.36 0.00 0.00 0.00 0.00 61.98 59.96 1zdx s VAL 79 Cb 0.09 -2.17 -0.12 0.00 0.00 0.00 0.00 36.38 34.18 1zdx s VAL 79 CO 0.42 -0.31 2.04 0.00 0.00 0.00 0.00 175.10 177.26 1zdx n ALA 80 N 4.50 0.83 0.00 5.51 0.00 -1.26 -1.11 120.51 128.99 1zdx n ALA 80 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1zdx n ALA 80 Cb 0.43 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 5.63 1.59 0.10 0.00 0.00 -1.26 -4.95 105.19 106.30 1zdx n GLY 81 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.65 0.73 0.00 1.61 0.00 -0.26 -4.54 117.12 114.01 1zdx n MET 82 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1zdx n MET 82 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 33.22 31.77 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 -3.01 0.06 0.00 6.12 0.23 -1.22 -2.54 115.26 114.89 1zdx n ASN 83 Ca -0.37 -1.60 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 1zdx n ASN 83 Cb 0.96 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.64 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 -0.46 0.89 -4.87 -4.53 -0.00 -1.26 -5.07 117.00 101.70 1zdx n LEU 84 Ca 0.00 -0.89 -0.22 0.00 -0.00 0.00 0.00 56.01 54.90 1zdx n LEU 84 Cb 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.41 1zdx n LEU 84 CO 0.00 0.22 0.00 -1.48 -0.00 0.00 0.00 177.39 176.14 1zdx s LEU 85 N -0.36 3.26 0.57 1.47 0.05 -1.05 -5.11 118.68 117.51 1zdx s LEU 85 Ca 0.00 -0.85 -0.15 0.00 0.05 0.00 0.00 54.13 53.18 1zdx s LEU 85 Cb 0.00 -1.86 -0.05 0.00 -2.05 0.00 0.00 46.19 42.23 1zdx s LEU 85 CO 0.00 -0.73 1.03 0.00 -0.55 0.00 0.00 176.35 176.10 1zdx s ALA 86 N -2.53 2.89 -1.17 1.48 0.00 -1.26 -4.90 121.76 116.27 1zdx s ALA 86 Ca 0.46 0.24 0.17 0.00 0.00 0.00 0.00 51.96 52.83 1zdx s ALA 86 Cb -0.02 -3.17 0.77 0.00 0.00 0.00 0.00 23.12 20.70 1zdx s ALA 86 CO 0.27 -0.61 1.52 -0.40 0.00 0.00 0.00 175.76 176.54 1zdx n ASP 87 N -2.01 0.00 -2.31 0.00 3.85 -1.26 -2.29 116.55 112.54 1zdx n ASP 87 Ca 0.08 0.31 -0.07 0.00 -0.71 0.00 0.00 54.79 54.40 1zdx n ASP 87 Cb 0.53 -0.41 0.05 0.00 -1.35 0.00 0.00 41.12 39.94 1zdx n ASP 87 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1zdx n ASP 88 N -1.41 2.62 -4.46 -1.12 8.00 -1.26 -2.99 116.55 115.92 1zdx n ASP 88 Ca 0.06 -2.70 -0.34 0.00 0.71 0.00 0.00 54.79 52.52 1zdx n ASP 88 Cb 0.17 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zdx s ALA 89 N -3.34 2.95 -0.38 2.24 0.00 -0.97 -5.00 121.76 117.27 1zdx s ALA 89 Ca 0.36 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 1zdx s ALA 89 Cb 0.36 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 1zdx s ALA 89 CO -0.03 0.11 2.27 0.00 0.00 0.00 0.00 175.76 178.12 1zdx s VAL 91 N 8.57 4.18 -1.24 0.00 1.01 0.48 -4.96 120.40 128.45 1zdx s VAL 91 Ca 1.07 1.91 -0.13 0.00 0.00 0.00 0.00 61.98 64.83 1zdx s VAL 91 Cb -0.62 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.49 1zdx s VAL 91 CO 0.41 0.34 2.32 -0.81 0.00 0.00 0.00 175.10 177.36 1zdx n PRO 92 N 2.34 2.61 0.00 2.72 -0.04 -1.26 -4.72 135.00 136.65 1zdx n PRO 92 Ca 0.01 -2.11 0.05 0.00 -0.04 0.00 0.00 63.50 61.41 1zdx n PRO 92 Cb 0.48 -2.92 0.22 0.00 -0.04 0.00 0.00 33.50 31.24 1zdx n PRO 92 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1zdx n LEU 93 N 5.44 0.00 -0.70 1.53 -0.00 -1.26 -0.94 117.00 121.07 1zdx n LEU 93 Ca 0.57 0.45 0.06 0.00 -0.00 0.00 0.00 56.01 57.09 1zdx n LEU 93 Cb 0.30 -0.45 0.16 0.00 -0.00 0.00 0.00 43.42 43.43 1zdx n LEU 93 CO 0.88 -0.29 0.62 0.35 -0.00 0.00 0.00 177.39 178.95 1zdx n THR 94 N -1.45 0.86 0.00 1.96 -2.24 -1.26 -4.09 114.28 108.07 1zdx n THR 94 Ca 0.03 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1zdx n THR 94 Cb 0.11 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.66 0.00 1.05 4.28 -1.04 -0.49 -4.64 114.28 114.10 1zdx n THR 95 Ca 0.12 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.27 1zdx n THR 95 Cb 0.43 -0.40 0.61 0.00 -1.82 0.00 0.00 70.33 69.15 1zdx n THR 95 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1zdx n MET 96 N -2.13 0.13 -3.72 -2.82 2.81 -0.12 -4.31 117.12 106.96 1zdx n MET 96 Ca 0.00 0.03 -0.30 0.00 -1.81 0.00 0.00 57.70 55.63 1zdx n MET 96 Cb 0.18 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.04 1zdx n MET 96 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1zdx s VAL 97 N -2.86 0.85 0.85 2.03 1.01 -1.26 -4.99 120.40 116.03 1zdx s VAL 97 Ca 0.17 -1.43 -0.13 0.00 0.00 0.00 0.00 61.98 60.60 1zdx s VAL 97 Cb 0.18 -1.64 0.07 0.00 0.00 0.00 0.00 36.38 34.98 1zdx s VAL 97 CO 0.47 -0.69 0.91 1.67 0.00 0.00 0.00 175.10 177.46 1zdx n GLN 98 N 4.80 -0.04 0.00 2.72 -0.06 -1.26 -3.79 117.38 119.74 1zdx n GLN 98 Ca -0.01 0.06 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 1zdx n GLN 98 Cb 0.42 -2.21 0.00 0.00 -4.06 0.00 0.00 30.24 24.39 1zdx n GLN 98 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1zdx n ASP 99 N -2.60 0.00 -4.73 1.69 2.03 -1.26 -4.65 116.55 107.03 1zdx n ASP 99 Ca 0.11 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.07 1zdx n ASP 99 Cb 0.51 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.99 1zdx n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zdx s ALA 100 N 0.00 2.26 0.12 -1.67 0.00 -1.25 -4.81 121.76 116.42 1zdx s ALA 100 Ca 0.00 1.02 -0.06 0.00 0.00 0.00 0.00 51.96 52.92 1zdx s ALA 100 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1zdx s ALA 100 CO 0.00 -1.69 0.18 0.95 0.00 0.00 0.00 175.76 175.20 1zdx s THR 101 N -1.71 0.11 -0.45 0.00 -4.23 -1.08 -4.68 115.64 103.61 1zdx s THR 101 Ca 0.78 -1.48 0.05 0.00 -1.18 0.00 0.00 61.69 59.87 1zdx s THR 101 Cb -0.32 -1.69 0.18 0.00 1.34 0.00 0.00 72.50 72.00 1zdx s THR 101 CO 0.42 -0.52 0.51 0.00 -0.54 0.00 0.00 174.62 174.49 1zdx s ALA 102 N -3.95 -0.43 -0.28 3.99 0.00 -1.26 -2.14 121.76 117.69 1zdx s ALA 102 Ca 0.14 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 1zdx s ALA 102 Cb 0.05 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.97 1zdx s ALA 102 CO -0.04 -2.12 0.19 -1.58 0.00 0.00 0.00 175.76 172.21 1zdx s HIS 103 N 0.67 3.21 -0.36 0.00 5.04 0.83 -4.77 115.29 119.91 1zdx s HIS 103 Ca 0.29 0.07 -0.29 0.00 -1.54 0.00 0.00 55.06 53.59 1zdx s HIS 103 Cb -0.01 -2.38 0.02 0.00 0.04 0.00 0.00 32.58 30.25 1zdx s HIS 103 CO -0.11 -0.18 1.07 -1.17 -2.34 0.00 0.00 174.74 172.01 1zdx s LEU 104 N 1.75 3.88 -0.85 8.88 2.96 -1.26 -0.45 118.68 133.58 1zdx s LEU 104 Ca 0.07 0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 54.68 1zdx s LEU 104 Cb -0.16 -3.51 0.15 0.00 0.50 0.00 0.00 46.19 43.17 1zdx s LEU 104 CO 0.11 -0.95 0.97 -0.62 -1.32 0.00 0.00 176.35 174.53 1zdx s ASP 105 N 1.84 6.60 0.40 3.68 3.68 0.50 -4.89 116.67 128.49 1zdx s ASP 105 Ca 0.45 -2.12 0.08 0.00 2.13 0.00 0.00 52.55 53.09 1zdx s ASP 105 Cb -0.11 -2.33 0.85 0.00 -1.45 0.00 0.00 42.92 39.88 1zdx s ASP 105 CO 0.19 -0.94 2.04 0.58 0.13 0.00 0.00 175.17 177.16 1zdx h VAL 106 N 5.55 1.07 0.21 1.11 2.07 -1.94 0.18 116.25 124.50 1zdx h VAL 106 Ca 0.07 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1zdx h VAL 106 Cb 1.04 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1zdx h VAL 106 CO 1.01 0.11 -0.47 1.23 0.02 0.00 0.00 177.57 179.46 1zdx h GLY 107 N 0.58 -1.03 -1.56 2.17 0.00 -1.95 -2.41 103.07 98.87 1zdx h GLY 107 Ca 0.19 0.56 0.00 0.00 0.00 0.00 0.00 47.33 48.08 1zdx h GLY 107 CO -0.05 -0.29 0.00 -0.18 0.00 0.00 0.00 176.54 176.02 1zdx n GLN 108 N -5.50 2.11 -3.79 4.80 -0.06 -1.22 -4.96 117.38 108.76 1zdx n GLN 108 Ca -0.09 -1.67 -0.27 0.00 -2.00 0.00 0.00 57.00 52.97 1zdx n GLN 108 Cb 0.41 -1.44 0.02 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 0.89 -2.75 -3.82 3.69 6.02 -0.29 -4.94 117.38 116.18 1zdx n GLN 109 Ca 0.17 0.47 -0.29 0.00 -0.01 0.00 0.00 57.00 57.34 1zdx n GLN 109 Cb 0.46 -4.49 -0.16 0.00 1.02 0.00 0.00 30.24 27.07 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 -6.20 1.05 -1.13 -1.09 3.52 0.49 -1.68 118.95 113.91 1zdx s ARG 110 Ca 0.20 -0.70 -0.21 0.00 -0.13 0.00 0.00 55.73 54.88 1zdx s ARG 110 Cb -0.07 -2.31 0.05 0.00 -1.56 0.00 0.00 34.95 31.06 1zdx s ARG 110 CO 0.86 -0.65 1.59 -1.17 -0.81 0.00 0.00 175.30 175.12 1zdx s LEU 111 N 1.65 3.61 0.15 -0.88 2.96 0.61 -0.37 118.68 126.42 1zdx s LEU 111 Ca -0.02 -1.81 -0.33 0.00 -0.22 0.00 0.00 54.13 51.74 1zdx s LEU 111 Cb -0.18 -2.57 -0.13 0.00 0.50 0.00 0.00 46.19 43.81 1zdx s LEU 111 CO -0.08 -1.46 1.64 0.59 -1.32 0.00 0.00 176.35 175.72 1zdx n ASN 112 N 9.01 3.36 -4.03 3.68 3.02 0.40 -0.92 115.26 129.78 1zdx n ASN 112 Ca 0.40 1.07 -0.09 0.00 -0.03 0.00 0.00 54.58 55.93 1zdx n ASN 112 Cb 0.49 -1.46 -0.09 0.00 -0.61 0.00 0.00 39.78 38.11 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 1.25 1.72 -0.03 3.41 2.96 0.75 -0.12 118.68 128.61 1zdx s LEU 113 Ca 0.79 -0.97 -0.21 0.00 -0.22 0.00 0.00 54.13 53.52 1zdx s LEU 113 Cb -0.63 0.61 0.04 0.00 0.50 0.00 0.00 46.19 46.71 1zdx s LEU 113 CO 0.37 -0.73 0.45 -0.89 -1.32 0.00 0.00 176.35 174.23 1zdx s THR 114 N -3.96 0.03 -0.03 3.68 2.01 -0.91 -2.99 115.64 113.47 1zdx s THR 114 Ca 0.14 -0.29 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 1zdx s THR 114 Cb 0.06 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.84 1zdx s THR 114 CO -0.04 -0.16 0.06 -0.63 -0.69 0.00 0.00 174.62 173.16 1zdx s ILE 115 N -1.22 -0.03 0.63 1.82 1.01 -1.26 -2.62 121.20 119.53 1zdx s ILE 115 Ca -0.12 0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.49 1zdx s ILE 115 Cb -0.03 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.31 1zdx s ILE 115 CO 0.06 0.05 1.10 -2.16 0.00 0.00 0.00 174.94 173.99 1zdx s PRO 116 N 0.63 2.95 0.39 2.79 0.04 -1.26 -4.88 135.00 135.65 1zdx s PRO 116 Ca -0.05 1.39 0.13 0.00 0.04 0.00 0.00 61.00 62.51 1zdx s PRO 116 Cb -0.07 -1.97 0.96 0.00 0.04 0.00 0.00 34.50 33.45 1zdx s PRO 116 CO -0.02 -1.13 1.86 1.96 0.04 0.00 0.00 177.00 179.71 1zdx h GLN 117 N 0.24 0.52 0.00 4.56 1.08 -1.99 -0.60 115.11 118.93 1zdx h GLN 117 Ca -0.47 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1zdx h GLN 117 Cb 1.24 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1zdx h GLN 117 CO 0.55 0.35 -0.00 0.00 -0.95 0.00 0.00 178.83 178.77 1zdx h ALA 118 N 1.61 1.05 -0.72 3.87 0.00 -2.01 -2.40 119.26 120.67 1zdx h ALA 118 Ca 0.45 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.86 1zdx h ALA 118 Cb 0.94 -0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.40 1zdx h ALA 118 CO -0.19 0.00 -0.27 1.19 0.00 0.00 0.00 179.25 179.98 1zdx n PHE 119 N -3.16 2.49 -4.52 0.00 3.01 -0.23 -4.85 117.46 110.19 1zdx n PHE 119 Ca -0.03 -2.29 -0.22 0.00 1.01 0.00 0.00 57.45 55.93 1zdx n PHE 119 Cb 0.09 -0.64 -0.14 0.00 -0.01 0.00 0.00 39.48 38.78 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 -3.58 1.09 -0.09 -1.08 -1.94 -0.90 -0.99 119.30 111.80 1zdx s MET 120 Ca 0.53 -0.67 -0.24 0.00 -1.71 0.00 0.00 55.69 53.60 1zdx s MET 120 Cb 0.43 -1.09 -0.20 0.00 2.01 0.00 0.00 34.83 35.98 1zdx s MET 120 CO 0.02 0.28 0.83 1.03 -0.01 0.00 0.00 175.02 177.17 1zdx h SER 121 N 5.30 -0.04 0.00 3.03 0.87 -1.71 -3.42 113.55 117.57 1zdx h SER 121 Ca -0.37 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 59.54 1zdx h SER 121 Cb 1.17 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1zdx h SER 121 CO 0.46 0.70 0.00 -0.46 -0.53 0.00 0.00 176.83 177.00 1zdx n ASN 122 N -4.75 -1.31 -4.32 6.23 0.23 -1.26 -5.06 115.26 105.02 1zdx n ASN 122 Ca -0.08 0.59 -0.20 0.00 -0.53 0.00 0.00 54.58 54.36 1zdx n ASN 122 Cb 0.34 1.53 -0.11 0.00 -2.08 0.00 0.00 39.78 39.46 1zdx n ASN 122 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1zdx s ARG 123 N -1.91 1.23 -0.18 -3.83 0.52 -1.26 -5.12 118.95 108.40 1zdx s ARG 123 Ca 0.00 -1.42 -0.02 0.00 -0.52 0.00 0.00 55.73 53.77 1zdx s ARG 123 Cb 0.00 -1.18 -0.00 0.00 0.52 0.00 0.00 34.95 34.29 1zdx s ARG 123 CO 0.00 0.23 -0.11 0.00 0.02 0.00 0.00 175.30 175.44 1zdx s ALA 124 N -2.32 2.64 0.00 2.13 0.00 -1.26 -4.56 121.76 118.38 1zdx s ALA 124 Ca 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1zdx s ALA 124 Cb -0.04 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1zdx s ALA 124 CO 0.06 -0.17 0.06 0.54 0.00 0.00 0.00 175.76 176.25