#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxb s SER 2 N 0.00 -0.44 -0.27 1.61 1.04 -1.26 -5.02 113.70 109.37 1wxb s SER 2 Ca 0.00 0.83 -0.00 0.00 0.48 0.00 0.00 55.95 57.26 1wxb s SER 2 Cb 0.00 0.83 0.00 0.00 0.10 0.00 0.00 66.02 66.95 1wxb s SER 2 CO 0.00 -0.15 0.01 -1.20 0.98 0.00 0.00 173.24 172.88 1wxb n SER 3 N 2.98 -7.84 0.00 7.02 7.64 -1.26 -5.00 113.62 117.16 1wxb n SER 3 Ca -0.14 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1wxb n SER 3 Cb 0.57 -4.81 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 1wxb n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wxb n GLY 4 N 0.78 3.92 3.32 0.23 0.00 -1.26 -5.03 105.19 107.15 1wxb n GLY 4 Ca 0.00 -1.38 -0.46 0.00 0.00 0.00 0.00 46.02 44.18 1wxb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wxb s SER 5 N 0.00 6.21 0.00 1.61 1.04 -1.26 -4.75 113.70 116.55 1wxb s SER 5 Ca 0.00 -1.74 0.00 0.00 0.48 0.00 0.00 55.95 54.69 1wxb s SER 5 Cb 0.00 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1wxb s SER 5 CO 0.00 -0.91 0.00 -1.20 0.98 0.00 0.00 173.24 172.11 1wxb n SER 6 N 5.45 0.00 0.00 7.02 7.64 -1.26 -4.86 113.62 127.61 1wxb n SER 6 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1wxb n SER 6 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1wxb n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wxb n GLY 7 N 0.00 -2.10 3.45 0.23 0.00 -1.26 -5.06 105.19 100.46 1wxb n GLY 7 Ca 0.00 -2.17 -0.25 0.00 0.00 0.00 0.00 46.02 43.59 1wxb n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wxb s LYS 8 N -0.66 1.62 0.30 1.61 2.20 -1.26 -5.14 119.74 118.41 1wxb s LYS 8 Ca 0.00 -1.67 0.04 0.00 -0.36 0.00 0.00 55.97 53.97 1wxb s LYS 8 Cb 0.00 -1.80 -0.03 0.00 -1.51 0.00 0.00 37.83 34.49 1wxb s LYS 8 CO 0.00 0.36 0.19 0.71 -0.36 0.00 0.00 175.35 176.25 1wxb s TYR 9 N -2.18 1.59 -0.03 4.03 1.51 -1.26 -3.42 117.35 117.59 1wxb s TYR 9 Ca 0.26 -1.46 -0.01 0.00 -1.01 0.00 0.00 57.07 54.86 1wxb s TYR 9 Cb -0.06 -0.79 0.03 0.00 -0.11 0.00 0.00 41.96 41.03 1wxb s TYR 9 CO 0.13 -0.64 0.05 0.54 -1.11 0.00 0.00 175.55 174.53 1wxb s VAL 10 N -3.62 -0.05 -0.48 0.71 0.11 -1.09 -3.93 120.40 112.06 1wxb s VAL 10 Ca 0.37 0.18 -0.17 0.00 -2.93 0.00 0.00 61.98 59.43 1wxb s VAL 10 Cb 0.04 -0.11 0.06 0.00 -1.53 0.00 0.00 36.38 34.84 1wxb s VAL 10 CO 0.20 0.08 0.51 -0.75 -3.33 0.00 0.00 175.10 171.80 1wxb s LYS 11 N 0.97 3.07 0.32 1.54 2.20 -1.26 -1.82 119.74 124.75 1wxb s LYS 11 Ca -0.08 -1.02 -0.27 0.00 -0.36 0.00 0.00 55.97 54.24 1wxb s LYS 11 Cb -0.11 -4.08 -0.14 0.00 -1.51 0.00 0.00 37.83 31.99 1wxb s LYS 11 CO -0.03 -1.08 0.93 -0.89 -0.36 0.00 0.00 175.35 173.92 1wxb n ILE 12 N 5.44 2.04 -0.09 5.43 2.08 0.68 -3.83 119.36 131.10 1wxb n ILE 12 Ca -0.09 -0.50 -0.11 0.00 0.56 0.00 0.00 62.75 62.61 1wxb n ILE 12 Cb 0.45 -0.91 -0.10 0.00 -0.75 0.00 0.00 39.64 38.33 1wxb n ILE 12 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1wxb n LEU 13 N 1.17 1.68 -4.18 1.39 4.77 -0.60 -2.74 117.00 118.49 1wxb n LEU 13 Ca 0.10 -0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.78 1wxb n LEU 13 Cb 0.33 -0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 41.05 1wxb n LEU 13 CO 0.59 0.63 -0.50 -0.31 -1.33 0.00 0.00 177.39 176.47 1wxb s TYR 14 N -2.38 1.58 -0.11 -1.77 2.02 -1.26 -4.62 117.35 110.82 1wxb s TYR 14 Ca -0.18 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 55.90 1wxb s TYR 14 Cb 0.06 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.60 1wxb s TYR 14 CO 0.52 0.01 1.43 0.16 -1.57 0.00 0.00 175.55 176.10 1wxb s ASP 15 N -0.70 6.83 0.09 2.29 1.47 -1.26 -4.44 116.67 120.94 1wxb s ASP 15 Ca 0.06 1.95 0.10 0.00 1.18 0.00 0.00 52.55 55.84 1wxb s ASP 15 Cb -0.07 -2.54 -0.03 0.00 -0.34 0.00 0.00 42.92 39.93 1wxb s ASP 15 CO 0.00 -0.82 -0.26 0.12 0.68 0.00 0.00 175.17 174.89 1wxb s PHE 16 N 3.60 2.24 -0.12 2.11 2.19 -1.18 -4.91 117.98 121.92 1wxb s PHE 16 Ca 0.63 -0.40 -0.00 0.00 0.33 0.00 0.00 56.93 57.49 1wxb s PHE 16 Cb -0.27 -1.28 -0.02 0.00 -1.31 0.00 0.00 43.02 40.14 1wxb s PHE 16 CO 0.22 0.23 -0.11 0.99 1.83 0.00 0.00 175.22 178.38 1wxb s THR 17 N -0.95 3.31 -0.25 0.12 2.01 -1.26 -2.08 115.64 116.54 1wxb s THR 17 Ca 0.12 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 1wxb s THR 17 Cb -0.10 -2.39 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 1wxb s THR 17 CO 0.04 0.54 1.27 0.00 -0.69 0.00 0.00 174.62 175.78 1wxb s ALA 18 N 0.04 3.48 -0.15 7.40 0.00 -1.26 -4.88 121.76 126.39 1wxb s ALA 18 Ca -0.03 0.21 0.15 0.00 0.00 0.00 0.00 51.96 52.29 1wxb s ALA 18 Cb -0.14 -3.71 0.05 0.00 0.00 0.00 0.00 23.12 19.32 1wxb s ALA 18 CO 0.04 -1.54 1.42 0.07 0.00 0.00 0.00 175.76 175.75 1wxb h ARG 19 N 8.82 0.00 0.00 0.00 0.11 -1.94 -3.47 114.38 117.90 1wxb h ARG 19 Ca -0.26 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.52 1wxb h ARG 19 Cb 1.10 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.10 1wxb h ARG 19 CO 1.01 0.50 -0.22 0.09 0.10 0.00 0.00 179.97 181.45 1wxb n ASN 20 N -3.22 -0.98 0.16 0.08 3.02 -1.26 -5.03 115.26 108.02 1wxb n ASN 20 Ca 0.02 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.85 1wxb n ASN 20 Cb 0.74 1.94 0.25 0.00 -0.61 0.00 0.00 39.78 42.10 1wxb n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wxb h ALA 21 N 1.94 1.15 0.00 5.41 0.00 -1.96 -1.93 119.26 123.87 1wxb h ALA 21 Ca -0.22 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1wxb h ALA 21 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wxb h ALA 21 CO 0.31 0.64 0.00 -1.71 0.00 0.00 0.00 179.25 178.49 1wxb n ASN 22 N -3.92 0.42 -4.55 0.00 5.15 -1.26 -4.49 115.26 106.60 1wxb n ASN 22 Ca -0.01 0.66 -0.27 0.00 -0.60 0.00 0.00 54.58 54.36 1wxb n ASN 22 Cb 0.52 -0.73 -0.10 0.00 -0.53 0.00 0.00 39.78 38.95 1wxb n ASN 22 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1wxb s GLU 23 N -3.32 1.99 -0.12 1.20 0.41 -0.73 0.20 118.70 118.33 1wxb s GLU 23 Ca 0.01 -1.32 0.00 0.00 -0.41 0.00 0.00 54.97 53.26 1wxb s GLU 23 Cb 0.06 -2.11 -0.02 0.00 -1.78 0.00 0.00 34.13 30.28 1wxb s GLU 23 CO 0.22 0.43 -0.13 -1.17 -0.49 0.00 0.00 175.26 174.11 1wxb s LEU 24 N -2.85 2.71 -0.31 1.80 2.96 -1.08 -4.50 118.68 117.42 1wxb s LEU 24 Ca 0.25 -0.31 -0.28 0.00 -0.22 0.00 0.00 54.13 53.56 1wxb s LEU 24 Cb -0.09 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 45.02 1wxb s LEU 24 CO 0.15 0.19 1.01 -0.94 -1.32 0.00 0.00 176.35 175.44 1wxb s SER 25 N 0.21 6.90 0.45 3.68 1.04 -1.26 -4.28 113.70 120.44 1wxb s SER 25 Ca -0.08 1.01 0.03 0.00 0.48 0.00 0.00 55.95 57.39 1wxb s SER 25 Cb -0.15 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 1wxb s SER 25 CO 0.05 -0.80 0.05 0.68 0.98 0.00 0.00 173.24 174.21 1wxb s VAL 26 N 3.45 1.03 0.27 5.02 -7.23 -0.88 -4.93 120.40 117.13 1wxb s VAL 26 Ca 0.43 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1wxb s VAL 26 Cb -0.13 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 1wxb s VAL 26 CO 0.14 0.00 0.06 -0.22 -0.31 0.00 0.00 175.10 174.77 1wxb s LEU 27 N -3.73 1.92 0.08 1.32 2.96 -1.26 -3.09 118.68 116.88 1wxb s LEU 27 Ca 0.17 -1.34 -0.30 0.00 -0.22 0.00 0.00 54.13 52.45 1wxb s LEU 27 Cb 0.03 -0.15 -0.05 0.00 0.50 0.00 0.00 46.19 46.52 1wxb s LEU 27 CO 0.10 -0.64 1.00 -0.75 -1.32 0.00 0.00 176.35 174.73 1wxb s LYS 28 N -3.96 4.63 0.00 1.98 2.20 -1.26 -3.16 119.74 120.17 1wxb s LYS 28 Ca 0.35 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 1wxb s LYS 28 Cb 0.08 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1wxb s LYS 28 CO 0.13 0.09 0.00 -3.47 -0.36 0.00 0.00 175.35 171.74 1wxb n ASP 29 N 3.13 -1.19 -4.80 1.43 2.03 -1.11 -4.95 116.55 111.10 1wxb n ASP 29 Ca 0.04 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.13 1wxb n ASP 29 Cb 0.49 -0.49 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 1wxb n ASP 29 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1wxb s GLU 30 N -3.74 2.47 -0.16 -0.67 2.02 -1.19 -4.93 118.70 112.49 1wxb s GLU 30 Ca 0.00 -1.54 -0.02 0.00 0.02 0.00 0.00 54.97 53.43 1wxb s GLU 30 Cb 0.00 -2.27 0.05 0.00 0.10 0.00 0.00 34.13 32.01 1wxb s GLU 30 CO 0.00 -0.02 0.01 0.08 0.02 0.00 0.00 175.26 175.34 1wxb s VAL 31 N -2.44 0.65 0.43 2.63 1.01 -1.26 -0.23 120.40 121.18 1wxb s VAL 31 Ca 0.42 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1wxb s VAL 31 Cb -0.02 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1wxb s VAL 31 CO 0.25 -0.03 0.42 -0.76 0.00 0.00 0.00 175.10 174.98 1wxb s LEU 32 N 1.82 3.39 -0.24 3.92 2.01 -0.76 -4.95 118.68 123.87 1wxb s LEU 32 Ca 0.01 -0.73 -0.11 0.00 0.01 0.00 0.00 54.13 53.31 1wxb s LEU 32 Cb -0.16 -2.09 -0.05 0.00 0.01 0.00 0.00 46.19 43.91 1wxb s LEU 32 CO -0.07 -0.71 0.19 -0.70 1.01 0.00 0.00 176.35 176.06 1wxb s GLU 33 N -4.19 4.06 -0.21 1.70 -6.30 -1.14 -2.66 118.70 109.96 1wxb s GLU 33 Ca 0.49 -0.23 -0.19 0.00 -2.50 0.00 0.00 54.97 52.53 1wxb s GLU 33 Cb -0.04 -3.55 -0.03 0.00 0.00 0.00 0.00 34.13 30.51 1wxb s GLU 33 CO 0.29 0.02 0.57 0.54 0.02 0.00 0.00 175.26 176.69 1wxb s VAL 34 N 1.17 5.06 -0.10 3.70 0.11 -1.22 -1.52 120.40 127.60 1wxb s VAL 34 Ca 0.08 1.04 0.00 0.00 -2.93 0.00 0.00 61.98 60.18 1wxb s VAL 34 Cb -0.14 -3.88 -0.06 0.00 -1.53 0.00 0.00 36.38 30.76 1wxb s VAL 34 CO 0.06 0.13 -0.09 0.18 -3.33 0.00 0.00 175.10 172.05 1wxb n LEU 35 N 5.05 2.90 -4.06 2.54 4.77 -1.13 -4.70 117.00 122.36 1wxb n LEU 35 Ca -0.03 -0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 1wxb n LEU 35 Cb 0.50 -0.34 -0.17 0.00 -2.33 0.00 0.00 43.42 41.08 1wxb n LEU 35 CO 0.42 0.65 -0.49 -1.61 -1.33 0.00 0.00 177.39 175.03 1wxb s GLU 36 N -2.20 2.08 0.34 3.23 2.02 -1.22 -5.04 118.70 117.92 1wxb s GLU 36 Ca -0.13 -0.53 0.05 0.00 0.02 0.00 0.00 54.97 54.38 1wxb s GLU 36 Cb 0.03 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 32.52 1wxb s GLU 36 CO 0.22 0.00 0.35 -0.40 0.02 0.00 0.00 175.26 175.45 1wxb n ASP 37 N 3.97 -0.91 0.00 -0.19 5.75 -1.26 -1.96 116.55 121.94 1wxb n ASP 37 Ca -0.20 -3.09 0.00 0.00 -0.01 0.00 0.00 54.79 51.49 1wxb n ASP 37 Cb 0.52 1.94 0.00 0.00 -1.03 0.00 0.00 41.12 42.55 1wxb n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wxb n GLY 38 N -0.61 0.45 3.62 6.12 0.00 -1.26 -5.05 105.19 108.45 1wxb n GLY 38 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1wxb n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wxb s ARG 39 N -0.87 2.04 0.03 1.61 3.52 -1.26 -5.06 118.95 118.96 1wxb s ARG 39 Ca 0.00 -1.76 -0.05 0.00 -0.13 0.00 0.00 55.73 53.79 1wxb s ARG 39 Cb 0.00 -1.91 -0.01 0.00 -1.56 0.00 0.00 34.95 31.47 1wxb s ARG 39 CO 0.00 0.15 1.09 1.96 -0.81 0.00 0.00 175.30 177.69 1wxb h GLN 40 N 1.85 -0.02 -5.48 5.12 4.20 -1.97 -3.37 115.11 115.45 1wxb h GLN 40 Ca -0.43 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.69 1wxb h GLN 40 Cb 1.25 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.93 1wxb h GLN 40 CO 0.67 -0.01 -0.37 -1.58 -0.67 0.00 0.00 178.83 176.87 1wxb s TRP 41 N -3.43 3.47 0.42 2.96 0.52 -1.26 -3.88 118.94 117.75 1wxb s TRP 41 Ca -0.02 0.55 -0.03 0.00 0.02 0.00 0.00 56.10 56.62 1wxb s TRP 41 Cb 0.02 -2.27 -0.04 0.00 -1.15 0.00 0.00 33.47 30.03 1wxb s TRP 41 CO 0.11 0.30 0.69 -1.58 0.02 0.00 0.00 176.95 176.49 1wxb s TRP 42 N 0.26 3.53 -0.45 -1.98 0.51 -0.86 -4.80 118.94 115.17 1wxb s TRP 42 Ca 0.15 0.64 -0.06 0.00 -2.12 0.00 0.00 56.10 54.70 1wxb s TRP 42 Cb -0.13 -2.14 0.12 0.00 -0.81 0.00 0.00 33.47 30.51 1wxb s TRP 42 CO 0.03 -0.11 0.29 0.21 -0.51 0.00 0.00 176.95 176.86 1wxb s LYS 43 N -4.51 2.27 0.43 4.98 2.20 -0.83 -1.77 119.74 122.51 1wxb s LYS 43 Ca 0.44 -1.80 0.04 0.00 -0.36 0.00 0.00 55.97 54.29 1wxb s LYS 43 Cb -0.10 -3.78 0.01 0.00 -1.51 0.00 0.00 37.83 32.45 1wxb s LYS 43 CO 0.41 -1.14 0.61 -0.51 -0.36 0.00 0.00 175.35 174.35 1wxb s LEU 44 N 1.24 3.67 -0.03 5.43 2.01 -0.67 -2.85 118.68 127.48 1wxb s LEU 44 Ca 0.07 -0.08 0.01 0.00 0.01 0.00 0.00 54.13 54.13 1wxb s LEU 44 Cb -0.25 -2.86 0.03 0.00 0.01 0.00 0.00 46.19 43.12 1wxb s LEU 44 CO -0.02 -0.73 -0.01 -0.60 1.01 0.00 0.00 176.35 176.00 1wxb s ARG 45 N -4.44 0.44 0.77 1.70 3.52 -0.58 -1.63 118.95 118.75 1wxb s ARG 45 Ca 0.51 0.03 -0.12 0.00 -0.13 0.00 0.00 55.73 56.02 1wxb s ARG 45 Cb -0.10 -0.59 0.06 0.00 -1.56 0.00 0.00 34.95 32.76 1wxb s ARG 45 CO 0.35 -0.13 1.11 -1.54 -0.81 0.00 0.00 175.30 174.28 1wxb s SER 46 N 1.02 4.77 0.09 -2.12 1.04 0.15 -2.89 113.70 115.77 1wxb s SER 46 Ca -0.10 1.14 0.17 0.00 0.48 0.00 0.00 55.95 57.64 1wxb s SER 46 Cb -0.14 -1.85 0.71 0.00 0.10 0.00 0.00 66.02 64.85 1wxb s SER 46 CO -0.01 -1.77 1.52 0.54 0.98 0.00 0.00 173.24 174.50 1wxb n ARG 47 N -3.28 0.07 0.15 4.02 5.12 -1.26 -1.45 116.66 120.02 1wxb n ARG 47 Ca 0.07 0.34 0.13 0.00 -1.93 0.00 0.00 57.85 56.46 1wxb n ARG 47 Cb 0.57 -1.64 0.37 0.00 -1.16 0.00 0.00 32.46 30.61 1wxb n ARG 47 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1wxb h SER 48 N 0.00 0.00 0.00 0.55 0.87 -2.03 -3.46 113.55 109.48 1wxb h SER 48 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wxb h SER 48 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1wxb h SER 48 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1wxb n GLY 49 N 1.02 0.87 3.81 5.77 0.00 -0.53 -5.08 105.19 111.05 1wxb n GLY 49 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1wxb n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wxb s GLN 50 N -0.87 4.22 -0.07 1.61 -1.52 -1.25 -4.87 119.66 116.91 1wxb s GLN 50 Ca 0.00 0.77 0.02 0.00 -1.95 0.00 0.00 55.36 54.20 1wxb s GLN 50 Cb 0.00 -3.12 0.01 0.00 -0.22 0.00 0.00 33.01 29.69 1wxb s GLN 50 CO 0.00 0.55 -0.13 0.00 -0.25 0.00 0.00 175.29 175.46 1wxb s ALA 51 N -1.26 1.37 0.22 6.09 0.00 -1.26 0.35 121.76 127.26 1wxb s ALA 51 Ca 0.34 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1wxb s ALA 51 Cb -0.19 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 1wxb s ALA 51 CO 0.20 0.09 0.41 0.20 0.00 0.00 0.00 175.76 176.66 1wxb s GLY 52 N 0.71 0.51 0.19 0.00 0.00 -0.64 -4.80 107.32 103.29 1wxb s GLY 52 Ca -0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 44.72 43.70 1wxb s GLY 52 CO 0.03 -0.70 0.40 -0.19 0.00 0.00 0.00 173.10 172.64 1wxb s TYR 53 N -4.00 3.48 0.21 1.90 2.02 0.53 -1.66 117.35 119.83 1wxb s TYR 53 Ca 0.21 0.41 -0.14 0.00 -0.37 0.00 0.00 57.07 57.18 1wxb s TYR 53 Cb 0.01 -1.91 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 1wxb s TYR 53 CO 0.05 0.38 0.47 0.14 -1.57 0.00 0.00 175.55 175.03 1wxb s VAL 54 N -1.83 0.02 0.51 0.71 -7.23 -0.73 -2.64 120.40 109.22 1wxb s VAL 54 Ca 0.39 -1.14 -0.19 0.00 -1.81 0.00 0.00 61.98 59.23 1wxb s VAL 54 Cb -0.11 -1.88 -0.08 0.00 0.56 0.00 0.00 36.38 34.87 1wxb s VAL 54 CO 0.28 -0.10 1.04 -2.16 -0.31 0.00 0.00 175.10 173.85 1wxb s PRO 55 N -3.95 3.72 0.08 4.82 0.04 -1.26 -2.03 135.00 136.43 1wxb s PRO 55 Ca 0.16 1.32 0.23 0.00 0.04 0.00 0.00 61.00 62.75 1wxb s PRO 55 Cb -0.00 -2.08 0.11 0.00 0.04 0.00 0.00 34.50 32.56 1wxb s PRO 55 CO 0.03 -0.49 1.09 0.00 0.04 0.00 0.00 177.00 177.66 1wxb n ASN 57 N -2.09 0.28 -0.05 0.00 0.23 -1.26 -1.61 115.26 110.76 1wxb n ASN 57 Ca 0.02 0.60 -0.04 0.00 -0.53 0.00 0.00 54.58 54.62 1wxb n ASN 57 Cb 0.45 -0.65 -0.09 0.00 -2.08 0.00 0.00 39.78 37.42 1wxb n ASN 57 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 1wxb n ILE 58 N -1.84 0.69 -0.74 1.53 -5.35 -1.24 -4.99 119.36 107.41 1wxb n ILE 58 Ca 0.01 -0.46 -0.29 0.00 -0.27 0.00 0.00 62.75 61.75 1wxb n ILE 58 Cb 0.11 -0.59 0.24 0.00 -1.74 0.00 0.00 39.64 37.66 1wxb n ILE 58 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1wxb s LEU 59 N -4.72 0.78 0.00 7.28 1.43 -0.63 -1.55 118.68 121.27 1wxb s LEU 59 Ca -0.05 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1wxb s LEU 59 Cb 0.04 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1wxb s LEU 59 CO 0.47 -4.05 0.00 0.61 0.23 0.00 0.00 176.35 173.61 1wxb n GLY 60 N 0.20 3.99 3.38 -3.19 0.00 -1.25 -4.77 105.19 103.55 1wxb n GLY 60 Ca 0.05 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1wxb n GLY 60 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wxb s GLU 61 N 3.06 2.03 -0.12 1.61 2.12 -1.26 -4.56 118.70 121.58 1wxb s GLU 61 Ca 0.00 -0.98 0.02 0.00 0.36 0.00 0.00 54.97 54.37 1wxb s GLU 61 Cb 0.00 -2.10 0.01 0.00 0.26 0.00 0.00 34.13 32.30 1wxb s GLU 61 CO 0.00 0.54 -0.20 0.00 -0.54 0.00 0.00 175.26 175.07 1wxb s ALA 62 N -0.78 2.02 -0.17 6.30 0.00 -1.25 -4.41 121.76 123.47 1wxb s ALA 62 Ca 0.12 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 1wxb s ALA 62 Cb -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1wxb s ALA 62 CO 0.02 -0.00 0.12 0.45 0.00 0.00 0.00 175.76 176.35 1wxb n SER 63 N 4.04 -4.81 -4.42 0.00 2.88 -1.26 -4.75 113.62 105.29 1wxb n SER 63 Ca -0.20 0.50 -0.34 0.00 -1.33 0.00 0.00 58.87 57.50 1wxb n SER 63 Cb 0.52 -3.04 0.09 0.00 -0.75 0.00 0.00 64.21 61.03 1wxb n SER 63 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxb n GLY 64 N 0.02 -1.88 3.55 0.46 0.00 -1.26 -4.82 105.19 101.26 1wxb n GLY 64 Ca 0.02 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 1wxb n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wxb s PRO 65 N -3.19 2.94 -0.02 1.61 0.04 -1.26 -4.40 135.00 130.72 1wxb s PRO 65 Ca 0.60 0.04 -0.00 0.00 0.04 0.00 0.00 61.00 61.68 1wxb s PRO 65 Cb -0.27 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 29.84 1wxb s PRO 65 CO 0.64 -2.49 0.00 0.45 0.04 0.00 0.00 177.00 175.64 1wxb n SER 66 N 11.10 -6.71 -3.50 6.66 2.88 -1.26 -5.01 113.62 117.78 1wxb n SER 66 Ca 0.15 0.52 -0.11 0.00 -1.33 0.00 0.00 58.87 58.11 1wxb n SER 66 Cb 0.50 -1.82 -0.03 0.00 -0.75 0.00 0.00 64.21 62.12 1wxb n SER 66 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wxb s SER 67 N -0.94 -0.45 0.00 -3.46 0.01 -1.26 -5.29 113.70 102.31 1wxb s SER 67 Ca -0.00 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1wxb s SER 67 Cb 0.00 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1wxb s SER 67 CO 0.05 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.66