#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxb n SER 2 N 0.00 2.98 -4.73 1.61 2.88 -1.26 -4.92 113.62 110.18 1wxb n SER 2 Ca 0.00 1.16 -0.41 0.00 -1.33 0.00 0.00 58.87 58.29 1wxb n SER 2 Cb 0.00 -1.47 -0.04 0.00 -0.75 0.00 0.00 64.21 61.95 1wxb n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wxb s SER 3 N 0.21 7.30 -0.03 -3.46 0.01 -1.26 -5.04 113.70 111.42 1wxb s SER 3 Ca 0.65 2.02 0.03 0.00 1.31 0.00 0.00 55.95 59.96 1wxb s SER 3 Cb -0.60 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.03 1wxb s SER 3 CO 0.52 -0.21 -0.13 -0.83 0.41 0.00 0.00 173.24 173.00 1wxb s GLY 4 N 0.05 0.72 0.25 3.44 0.00 -1.26 -4.96 107.32 105.56 1wxb s GLY 4 Ca 0.50 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1wxb s GLY 4 CO 0.33 -0.23 0.00 -1.26 0.00 0.00 0.00 173.10 171.94 1wxb n SER 5 N 3.20 -2.25 -4.28 1.64 2.88 -1.26 -5.14 113.62 108.42 1wxb n SER 5 Ca -0.18 0.68 -0.36 0.00 -1.33 0.00 0.00 58.87 57.68 1wxb n SER 5 Cb 0.54 2.30 0.05 0.00 -0.75 0.00 0.00 64.21 66.35 1wxb n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wxb n SER 6 N -3.18 -3.27 -4.64 -3.46 3.41 -1.26 -4.99 113.62 96.23 1wxb n SER 6 Ca 0.00 0.45 -0.23 0.00 -0.26 0.00 0.00 58.87 58.83 1wxb n SER 6 Cb 0.00 -1.00 -0.07 0.00 -0.26 0.00 0.00 64.21 62.87 1wxb n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wxb s GLY 7 N -1.30 1.77 0.47 5.00 0.00 -1.26 -5.13 107.32 106.86 1wxb s GLY 7 Ca 0.55 -1.74 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 1wxb s GLY 7 CO 0.68 -1.77 0.74 -1.59 0.00 0.00 0.00 173.10 171.17 1wxb s LYS 8 N -3.69 3.39 0.27 2.90 -2.85 -1.26 -5.11 119.74 113.39 1wxb s LYS 8 Ca 0.33 -0.01 0.03 0.00 -1.00 0.00 0.00 55.97 55.32 1wxb s LYS 8 Cb -0.05 -2.44 -0.06 0.00 -2.06 0.00 0.00 37.83 33.23 1wxb s LYS 8 CO 0.20 -0.21 0.04 0.71 0.10 0.00 0.00 175.35 176.18 1wxb s TYR 9 N -2.67 1.70 -0.04 1.78 2.02 -1.26 -3.93 117.35 114.94 1wxb s TYR 9 Ca 0.47 -0.98 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 1wxb s TYR 9 Cb -0.10 -1.03 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 1wxb s TYR 9 CO 0.42 -0.08 -0.10 0.54 -1.57 0.00 0.00 175.55 174.77 1wxb s VAL 10 N -3.44 0.89 -0.22 0.71 0.11 -0.41 -2.64 120.40 115.41 1wxb s VAL 10 Ca 0.33 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 58.89 1wxb s VAL 10 Cb 0.07 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 1wxb s VAL 10 CO 0.12 0.29 0.16 -0.75 -3.33 0.00 0.00 175.10 171.58 1wxb s LYS 11 N 0.42 4.13 -0.22 1.54 2.36 0.16 -0.53 119.74 127.60 1wxb s LYS 11 Ca -0.08 -0.23 -0.29 0.00 -2.55 0.00 0.00 55.97 52.82 1wxb s LYS 11 Cb -0.12 -3.49 -0.02 0.00 -1.05 0.00 0.00 37.83 33.15 1wxb s LYS 11 CO 0.01 0.16 1.53 0.42 1.55 0.00 0.00 175.35 179.02 1wxb s ILE 12 N 0.76 3.82 -0.25 5.43 -1.09 0.12 -1.94 121.20 128.05 1wxb s ILE 12 Ca 0.08 0.94 0.18 0.00 -2.23 0.00 0.00 60.65 59.62 1wxb s ILE 12 Cb -0.12 -3.81 0.14 0.00 -1.58 0.00 0.00 42.46 37.08 1wxb s ILE 12 CO 0.02 -0.31 1.43 -0.07 -1.23 0.00 0.00 174.94 174.78 1wxb h LEU 13 N 11.29 0.00 -7.57 2.97 3.38 -1.01 0.35 115.31 124.73 1wxb h LEU 13 Ca -0.32 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 1wxb h LEU 13 Cb 1.14 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.63 1wxb h LEU 13 CO 1.00 0.31 -0.50 -0.31 0.09 0.00 0.00 178.44 179.03 1wxb s TYR 14 N -3.06 -0.17 -0.08 1.13 2.02 -1.26 -4.72 117.35 111.21 1wxb s TYR 14 Ca 0.04 0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 56.86 1wxb s TYR 14 Cb 0.07 0.05 -0.05 0.00 -0.40 0.00 0.00 41.96 41.63 1wxb s TYR 14 CO 0.73 -0.12 1.66 0.16 -1.57 0.00 0.00 175.55 176.41 1wxb s ASP 15 N -0.09 6.61 0.06 2.29 1.47 -1.26 -4.41 116.67 121.33 1wxb s ASP 15 Ca -0.02 2.16 0.07 0.00 1.18 0.00 0.00 52.55 55.94 1wxb s ASP 15 Cb -0.02 -2.53 -0.03 0.00 -0.34 0.00 0.00 42.92 39.99 1wxb s ASP 15 CO 0.00 -0.99 -0.18 0.12 0.68 0.00 0.00 175.17 174.81 1wxb s PHE 16 N 4.26 2.56 -0.10 2.11 5.36 0.08 -4.88 117.98 127.38 1wxb s PHE 16 Ca 0.74 -0.25 0.03 0.00 -0.96 0.00 0.00 56.93 56.49 1wxb s PHE 16 Cb -0.32 -1.44 0.00 0.00 -0.34 0.00 0.00 43.02 40.93 1wxb s PHE 16 CO 0.30 0.29 -0.21 0.99 -1.46 0.00 0.00 175.22 175.12 1wxb s THR 17 N -0.98 1.87 -0.24 0.12 2.01 -1.26 -0.60 115.64 116.55 1wxb s THR 17 Ca 0.16 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 1wxb s THR 17 Cb -0.11 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1wxb s THR 17 CO 0.07 0.52 1.79 0.00 -0.69 0.00 0.00 174.62 176.30 1wxb s ALA 18 N 0.51 3.08 -2.61 7.40 0.00 -1.23 -4.81 121.76 124.09 1wxb s ALA 18 Ca -0.16 0.50 0.22 0.00 0.00 0.00 0.00 51.96 52.52 1wxb s ALA 18 Cb -0.17 -3.94 0.22 0.00 0.00 0.00 0.00 23.12 19.23 1wxb s ALA 18 CO 0.06 -2.27 1.22 0.54 0.00 0.00 0.00 175.76 175.30 1wxb n ARG 19 N 8.07 2.08 -4.11 0.00 5.12 -1.26 -4.92 116.66 121.65 1wxb n ARG 19 Ca 0.22 -1.87 -0.13 0.00 -1.93 0.00 0.00 57.85 54.14 1wxb n ARG 19 Cb 0.45 -1.43 -0.06 0.00 -1.16 0.00 0.00 32.46 30.26 1wxb n ARG 19 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1wxb s ASN 20 N -1.72 0.47 0.25 0.55 0.01 -1.26 -5.04 114.94 108.20 1wxb s ASN 20 Ca 0.27 -1.31 0.04 0.00 -0.71 0.00 0.00 52.86 51.15 1wxb s ASN 20 Cb 0.19 0.56 0.31 0.00 0.41 0.00 0.00 41.25 42.72 1wxb s ASN 20 CO 0.27 -1.11 1.61 0.00 -1.51 0.00 0.00 177.10 176.36 1wxb h ALA 21 N 2.29 0.94 -0.51 0.60 0.00 -2.01 -2.93 119.26 117.64 1wxb h ALA 21 Ca -0.29 -0.48 -0.38 0.00 0.00 0.00 0.00 54.91 53.75 1wxb h ALA 21 Cb 1.24 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 1wxb h ALA 21 CO 0.41 0.67 0.42 0.09 0.00 0.00 0.00 179.25 180.84 1wxb n ASN 22 N -3.95 6.52 -3.94 0.00 3.02 -1.26 -4.85 115.26 110.80 1wxb n ASN 22 Ca -0.02 -3.13 -0.09 0.00 -0.03 0.00 0.00 54.58 51.31 1wxb n ASN 22 Cb 0.56 -1.10 -0.09 0.00 -0.61 0.00 0.00 39.78 38.53 1wxb n ASN 22 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1wxb s GLU 23 N -1.86 0.64 -0.01 3.52 2.02 -1.11 -3.05 118.70 118.86 1wxb s GLU 23 Ca 0.40 -0.87 0.07 0.00 0.02 0.00 0.00 54.97 54.60 1wxb s GLU 23 Cb 0.29 0.25 -0.02 0.00 0.10 0.00 0.00 34.13 34.75 1wxb s GLU 23 CO -0.06 -0.16 -0.23 -1.17 0.02 0.00 0.00 175.26 173.66 1wxb s LEU 24 N -2.38 2.07 -0.26 1.80 2.96 -1.20 -4.47 118.68 117.19 1wxb s LEU 24 Ca -0.01 -0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 1wxb s LEU 24 Cb 0.01 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1wxb s LEU 24 CO -0.07 0.27 0.36 -0.94 -1.32 0.00 0.00 176.35 174.65 1wxb s SER 25 N -0.66 6.25 0.12 3.68 1.04 -1.26 -3.57 113.70 119.29 1wxb s SER 25 Ca 0.09 0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.77 1wxb s SER 25 Cb -0.09 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 1wxb s SER 25 CO -0.00 -0.16 0.10 0.68 0.98 0.00 0.00 173.24 174.83 1wxb s VAL 26 N 1.97 0.11 0.55 5.02 -7.23 0.23 -4.92 120.40 116.14 1wxb s VAL 26 Ca 0.15 -1.76 0.06 0.00 -1.81 0.00 0.00 61.98 58.61 1wxb s VAL 26 Cb -0.16 -1.90 0.05 0.00 0.56 0.00 0.00 36.38 34.93 1wxb s VAL 26 CO 0.10 -0.51 0.45 -0.76 -0.31 0.00 0.00 175.10 174.07 1wxb s LEU 27 N -3.01 2.71 0.13 1.32 1.43 -1.26 -0.74 118.68 119.26 1wxb s LEU 27 Ca 0.20 -1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 51.88 1wxb s LEU 27 Cb 0.07 -1.20 -0.07 0.00 0.03 0.00 0.00 46.19 45.01 1wxb s LEU 27 CO -0.01 -1.15 0.63 -0.75 0.23 0.00 0.00 176.35 175.30 1wxb s LYS 28 N -4.33 4.23 0.00 1.70 2.20 -1.26 -3.52 119.74 118.75 1wxb s LYS 28 Ca 0.36 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 1wxb s LYS 28 Cb -0.03 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1wxb s LYS 28 CO 0.23 0.55 0.00 -0.25 -0.36 0.00 0.00 175.35 175.52 1wxb n ASP 29 N 1.35 0.00 -4.71 1.43 8.00 0.12 -4.91 116.55 117.83 1wxb n ASP 29 Ca -0.07 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.14 1wxb n ASP 29 Cb 0.51 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.76 1wxb n ASP 29 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wxb s GLU 30 N -0.24 0.94 -0.17 -1.24 8.01 -1.23 -4.71 118.70 120.06 1wxb s GLU 30 Ca 0.00 0.62 -0.02 0.00 0.01 0.00 0.00 54.97 55.57 1wxb s GLU 30 Cb 0.00 -1.79 0.05 0.00 -4.31 0.00 0.00 34.13 28.09 1wxb s GLU 30 CO 0.00 -2.41 0.02 0.08 0.01 0.00 0.00 175.26 172.96 1wxb s VAL 31 N -3.00 0.54 0.40 2.63 1.01 -1.26 0.13 120.40 120.85 1wxb s VAL 31 Ca 0.64 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1wxb s VAL 31 Cb -0.18 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1wxb s VAL 31 CO 0.57 -0.11 0.42 -0.76 0.00 0.00 0.00 175.10 175.22 1wxb s LEU 32 N 1.86 3.54 -0.18 3.92 2.01 0.31 -4.90 118.68 125.24 1wxb s LEU 32 Ca 0.00 -0.58 -0.10 0.00 0.01 0.00 0.00 54.13 53.47 1wxb s LEU 32 Cb -0.16 -2.28 -0.05 0.00 0.01 0.00 0.00 46.19 43.71 1wxb s LEU 32 CO -0.07 -0.61 0.14 -0.70 1.01 0.00 0.00 176.35 176.12 1wxb s GLU 33 N -4.16 4.04 -0.05 1.70 2.12 -1.24 -1.29 118.70 119.82 1wxb s GLU 33 Ca 0.48 -0.19 -0.20 0.00 0.36 0.00 0.00 54.97 55.42 1wxb s GLU 33 Cb -0.06 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 1wxb s GLU 33 CO 0.29 0.40 0.57 0.54 -0.54 0.00 0.00 175.26 176.52 1wxb s VAL 34 N 0.07 5.03 -0.07 3.70 0.11 -1.25 -1.73 120.40 126.26 1wxb s VAL 34 Ca 0.10 1.18 -0.03 0.00 -2.93 0.00 0.00 61.98 60.30 1wxb s VAL 34 Cb -0.11 -3.91 -0.03 0.00 -1.53 0.00 0.00 36.38 30.80 1wxb s VAL 34 CO -0.00 0.36 -0.08 0.18 -3.33 0.00 0.00 175.10 172.22 1wxb n LEU 35 N 3.22 0.88 -4.19 2.54 4.77 -0.47 -4.86 117.00 118.88 1wxb n LEU 35 Ca -0.06 0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.67 1wxb n LEU 35 Cb 0.51 -0.20 -0.17 0.00 -2.33 0.00 0.00 43.42 41.23 1wxb n LEU 35 CO 0.44 0.21 -0.55 -1.61 -1.33 0.00 0.00 177.39 174.55 1wxb s GLU 36 N -2.12 2.97 0.27 3.23 0.41 -1.10 -4.99 118.70 117.36 1wxb s GLU 36 Ca -0.09 -0.85 0.03 0.00 -0.41 0.00 0.00 54.97 53.64 1wxb s GLU 36 Cb 0.03 -2.30 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 1wxb s GLU 36 CO 0.12 0.11 0.18 0.16 -0.49 0.00 0.00 175.26 175.35 1wxb s ASP 37 N 0.50 0.98 0.00 -0.19 -4.77 -1.26 -1.57 116.67 110.36 1wxb s ASP 37 Ca -0.15 -1.54 0.00 0.00 -3.30 0.00 0.00 52.55 47.56 1wxb s ASP 37 Cb -0.17 0.42 0.00 0.00 -1.09 0.00 0.00 42.92 42.08 1wxb s ASP 37 CO 0.05 -0.91 0.00 0.61 0.70 0.00 0.00 175.17 175.62 1wxb n GLY 38 N -0.46 0.79 3.76 2.12 0.00 -1.26 -5.05 105.19 105.09 1wxb n GLY 38 Ca 0.03 0.00 -0.23 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 -0.97 2.47 0.10 1.61 3.00 -1.26 -5.04 118.95 118.86 1wxb s ARG 39 Ca 0.00 -1.46 -0.25 0.00 -1.00 0.00 0.00 55.73 53.03 1wxb s ARG 39 Cb 0.00 -2.26 -0.08 0.00 0.00 0.00 0.00 34.95 32.61 1wxb s ARG 39 CO 0.00 0.14 1.41 1.96 0.00 0.00 0.00 175.30 178.82 1wxb h GLN 40 N 1.51 -0.23 -5.38 5.12 1.08 -1.97 -3.37 115.11 111.87 1wxb h GLN 40 Ca -0.44 0.02 -0.61 0.00 -1.45 0.00 0.00 58.65 56.16 1wxb h GLN 40 Cb 1.25 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 28.63 1wxb h GLN 40 CO 0.62 -0.15 -0.46 -1.58 -0.95 0.00 0.00 178.83 176.31 1wxb s TRP 41 N -4.97 3.45 0.47 2.96 0.52 -1.26 -3.84 118.94 116.27 1wxb s TRP 41 Ca -0.10 0.42 -0.04 0.00 0.02 0.00 0.00 56.10 56.40 1wxb s TRP 41 Cb 0.07 -2.16 -0.03 0.00 -1.15 0.00 0.00 33.47 30.20 1wxb s TRP 41 CO 0.46 0.36 0.75 -1.58 0.02 0.00 0.00 176.95 176.96 1wxb s TRP 42 N 0.14 3.48 -0.42 -1.98 0.51 -0.89 -4.83 118.94 114.95 1wxb s TRP 42 Ca 0.11 0.65 -0.03 0.00 -2.12 0.00 0.00 56.10 54.71 1wxb s TRP 42 Cb -0.12 -2.28 0.11 0.00 -0.81 0.00 0.00 33.47 30.37 1wxb s TRP 42 CO 0.00 -0.28 0.22 0.21 -0.51 0.00 0.00 176.95 176.59 1wxb s LYS 43 N -4.68 2.05 0.38 4.98 2.20 -0.61 -2.38 119.74 121.68 1wxb s LYS 43 Ca 0.47 -1.84 0.07 0.00 -0.36 0.00 0.00 55.97 54.31 1wxb s LYS 43 Cb -0.10 -3.61 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1wxb s LYS 43 CO 0.43 -1.09 0.45 -0.51 -0.36 0.00 0.00 175.35 174.27 1wxb s LEU 44 N 1.11 3.70 -0.10 5.43 2.01 -0.92 -1.37 118.68 128.54 1wxb s LEU 44 Ca 0.08 -0.42 -0.01 0.00 0.01 0.00 0.00 54.13 53.80 1wxb s LEU 44 Cb -0.23 -2.50 0.03 0.00 0.01 0.00 0.00 46.19 43.50 1wxb s LEU 44 CO -0.04 -0.56 -0.06 -0.60 1.01 0.00 0.00 176.35 176.11 1wxb s ARG 45 N -4.18 1.28 0.25 1.70 3.52 -0.70 -1.79 118.95 119.02 1wxb s ARG 45 Ca 0.48 -0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.63 1wxb s ARG 45 Cb -0.08 -1.42 -0.10 0.00 -1.56 0.00 0.00 34.95 31.80 1wxb s ARG 45 CO 0.30 -0.27 1.33 0.45 -0.81 0.00 0.00 175.30 176.30 1wxb s SER 46 N 1.77 6.81 0.65 -2.12 0.15 0.53 -3.60 113.70 117.90 1wxb s SER 46 Ca 0.05 2.55 0.22 0.00 0.70 0.00 0.00 55.95 59.46 1wxb s SER 46 Cb -0.12 -2.63 1.14 0.00 -1.71 0.00 0.00 66.02 62.70 1wxb s SER 46 CO -0.07 -0.56 1.64 0.08 1.20 0.00 0.00 173.24 175.53 1wxb h ARG 47 N 4.66 0.00 0.00 5.44 -0.00 -1.90 1.60 114.38 124.18 1wxb h ARG 47 Ca -0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.48 1wxb h ARG 47 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.18 1wxb h ARG 47 CO 0.74 0.00 -0.18 0.77 -0.00 0.00 0.00 179.97 181.30 1wxb h SER 48 N 0.00 0.00 0.00 0.08 0.02 -1.99 -3.45 113.55 108.20 1wxb h SER 48 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1wxb h SER 48 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1wxb h SER 48 CO -0.00 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 1wxb n GLY 49 N -0.45 1.95 3.25 -3.77 0.00 0.54 -5.12 105.19 101.59 1wxb n GLY 49 Ca -0.01 0.00 -0.32 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 -0.44 3.08 -0.15 1.61 -1.52 -1.05 -4.93 119.66 116.26 1wxb s GLN 50 Ca 0.00 -0.85 -0.01 0.00 -1.95 0.00 0.00 55.36 52.55 1wxb s GLN 50 Cb 0.00 -2.34 -0.01 0.00 -0.22 0.00 0.00 33.01 30.43 1wxb s GLN 50 CO 0.00 0.20 -0.11 0.00 -0.25 0.00 0.00 175.29 175.12 1wxb s ALA 51 N 0.32 2.68 0.32 6.09 0.00 -1.26 0.20 121.76 130.10 1wxb s ALA 51 Ca -0.17 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 1wxb s ALA 51 Cb -0.17 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.64 1wxb s ALA 51 CO 0.08 0.13 0.52 0.20 0.00 0.00 0.00 175.76 176.69 1wxb s GLY 52 N 0.55 1.07 0.05 0.00 0.00 -0.74 -4.85 107.32 103.39 1wxb s GLY 52 Ca -0.07 -1.24 0.02 0.00 0.00 0.00 0.00 44.72 43.42 1wxb s GLY 52 CO 0.03 -0.81 0.09 -0.19 0.00 0.00 0.00 173.10 172.22 1wxb s TYR 53 N -3.21 3.24 0.19 1.90 2.02 -1.17 -2.18 117.35 118.14 1wxb s TYR 53 Ca 0.26 0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 56.97 1wxb s TYR 53 Cb -0.01 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 1wxb s TYR 53 CO 0.16 0.53 0.41 0.14 -1.57 0.00 0.00 175.55 175.22 1wxb s VAL 54 N -1.32 0.04 0.34 0.71 -7.23 -1.00 -3.25 120.40 108.70 1wxb s VAL 54 Ca 0.27 -1.16 -0.26 0.00 -1.81 0.00 0.00 61.98 59.02 1wxb s VAL 54 Cb -0.12 -1.81 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 1wxb s VAL 54 CO 0.19 -0.17 1.07 -2.16 -0.31 0.00 0.00 175.10 173.71 1wxb s PRO 55 N -3.94 4.38 0.00 4.82 0.04 -1.26 -2.10 135.00 136.94 1wxb s PRO 55 Ca 0.15 1.63 0.27 0.00 0.04 0.00 0.00 61.00 63.10 1wxb s PRO 55 Cb 0.01 -2.83 1.53 0.00 0.04 0.00 0.00 34.50 33.24 1wxb s PRO 55 CO 0.01 0.02 1.99 0.00 0.04 0.00 0.00 177.00 179.07 1wxb h ASN 57 N 0.40 0.00 0.00 0.00 4.21 -1.91 -3.04 115.58 115.24 1wxb h ASN 57 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1wxb h ASN 57 Cb 0.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1wxb h ASN 57 CO 0.00 0.37 -1.88 2.30 -1.29 0.00 0.00 177.43 176.93 1wxb n ILE 58 N -3.40 0.00 -1.54 2.81 -5.35 -1.17 -4.97 119.36 105.75 1wxb n ILE 58 Ca 0.01 -0.44 -0.33 0.00 -0.27 0.00 0.00 62.75 61.71 1wxb n ILE 58 Cb 0.55 0.08 0.07 0.00 -1.74 0.00 0.00 39.64 38.61 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 -4.34 3.29 -0.14 7.28 1.43 -1.15 -0.37 118.68 124.68 1wxb s LEU 59 Ca -0.07 2.09 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 1wxb s LEU 59 Cb 0.13 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.85 1wxb s LEU 59 CO 0.84 -1.95 0.59 -0.83 0.23 0.00 0.00 176.35 175.24 1wxb s GLY 60 N -2.54 -0.46 -0.03 -3.19 0.00 -0.82 -4.78 107.32 95.50 1wxb s GLY 60 Ca 0.68 1.42 -0.30 0.00 0.00 0.00 0.00 44.72 46.52 1wxb s GLY 60 CO 0.45 1.14 1.99 -1.83 0.00 0.00 0.00 173.10 174.86 1wxb s GLU 61 N -0.37 3.91 -0.20 2.90 -1.05 -1.26 0.40 118.70 123.03 1wxb s GLU 61 Ca -0.05 2.43 -0.20 0.00 -0.15 0.00 0.00 54.97 57.00 1wxb s GLU 61 Cb -0.03 -4.19 -0.03 0.00 -0.44 0.00 0.00 34.13 29.44 1wxb s GLU 61 CO 0.04 -1.21 0.59 0.00 0.95 0.00 0.00 175.26 175.63 1wxb s ALA 62 N 5.29 3.55 -0.22 -0.84 0.00 -1.08 -4.69 121.76 123.76 1wxb s ALA 62 Ca 0.89 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 52.40 1wxb s ALA 62 Cb -0.39 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1wxb s ALA 62 CO 0.39 -0.53 -0.31 0.43 0.00 0.00 0.00 175.76 175.74 1wxb n SER 63 N 4.98 1.72 0.00 0.00 7.64 -1.26 -4.53 113.62 122.18 1wxb n SER 63 Ca -0.03 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1wxb n SER 63 Cb 0.50 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1wxb n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wxb n GLY 64 N 1.54 1.76 3.56 0.23 0.00 -1.26 -4.63 105.19 106.38 1wxb n GLY 64 Ca -0.41 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.43 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 -3.27 3.00 -0.39 1.61 0.04 -1.26 -4.23 135.00 130.50 1wxb s PRO 65 Ca 0.00 -0.29 -0.22 0.00 0.04 0.00 0.00 61.00 60.53 1wxb s PRO 65 Cb 0.00 -4.77 0.03 0.00 0.04 0.00 0.00 34.50 29.80 1wxb s PRO 65 CO 0.00 -2.62 0.51 0.45 0.04 0.00 0.00 177.00 175.38 1wxb n SER 66 N 11.22 -6.86 -4.92 6.66 2.88 -1.26 -4.97 113.62 116.36 1wxb n SER 66 Ca 0.25 0.34 -0.26 0.00 -1.33 0.00 0.00 58.87 57.86 1wxb n SER 66 Cb 0.50 -3.55 0.02 0.00 -0.75 0.00 0.00 64.21 60.43 1wxb n SER 66 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wxb s SER 67 N -1.91 5.74 0.00 -3.46 1.04 -1.26 -5.26 113.70 108.59 1wxb s SER 67 Ca 0.26 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1wxb s SER 67 Cb -0.04 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1wxb s SER 67 CO 0.74 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.64