#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 2.42 -0.06 1.61 0.15 -1.26 -4.99 113.70 111.57 1wxb s SER 2 Ca 0.00 -3.29 -0.05 0.00 0.70 0.00 0.00 55.95 53.31 1wxb s SER 2 Cb 0.00 -0.78 0.01 0.00 -1.71 0.00 0.00 66.02 63.54 1wxb s SER 2 CO 0.00 -0.15 0.09 -1.20 1.20 0.00 0.00 173.24 173.18 1wxb n SER 3 N 2.61 -6.33 0.00 5.45 7.64 -1.26 -4.95 113.62 116.77 1wxb n SER 3 Ca 0.27 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1wxb n SER 3 Cb 0.44 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 1.09 -1.84 2.80 0.23 0.00 -1.26 -5.15 105.19 101.05 1wxb n GLY 4 Ca -0.01 0.81 -0.23 0.00 0.00 0.00 0.00 46.02 46.59 1wxb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wxb s SER 5 N 0.00 1.56 -0.36 1.61 0.15 -1.26 -5.07 113.70 110.33 1wxb s SER 5 Ca 0.00 -0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.52 1wxb s SER 5 Cb 0.00 -0.48 0.19 0.00 -1.71 0.00 0.00 66.02 64.02 1wxb s SER 5 CO 0.00 -0.17 0.88 -0.94 1.20 0.00 0.00 173.24 174.21 1wxb s SER 6 N 1.82 -0.82 -0.76 5.45 1.04 -1.26 -5.11 113.70 114.07 1wxb s SER 6 Ca 0.03 -0.43 -0.22 0.00 0.48 0.00 0.00 55.95 55.81 1wxb s SER 6 Cb -0.12 1.05 0.09 0.00 0.10 0.00 0.00 66.02 67.13 1wxb s SER 6 CO -0.05 -0.09 1.04 -0.83 0.98 0.00 0.00 173.24 174.29 1wxb s GLY 7 N 1.89 1.51 0.31 7.32 0.00 -1.26 -5.01 107.32 112.08 1wxb s GLY 7 Ca 0.15 -2.11 0.07 0.00 0.00 0.00 0.00 44.72 42.83 1wxb s GLY 7 CO -0.12 2.10 0.33 1.25 0.00 0.00 0.00 173.10 176.66 1wxb s LYS 8 N 3.77 2.93 0.20 2.90 2.20 -1.26 -5.06 119.74 125.42 1wxb s LYS 8 Ca 0.27 -1.13 -0.07 0.00 -0.36 0.00 0.00 55.97 54.68 1wxb s LYS 8 Cb -0.12 -2.62 -0.02 0.00 -1.51 0.00 0.00 37.83 33.55 1wxb s LYS 8 CO 0.04 0.17 0.28 0.71 -0.36 0.00 0.00 175.35 176.19 1wxb s TYR 9 N -2.21 0.66 0.00 4.03 2.02 -1.26 -3.04 117.35 117.56 1wxb s TYR 9 Ca 0.40 -0.98 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 1wxb s TYR 9 Cb -0.07 -0.17 -0.00 0.00 -0.40 0.00 0.00 41.96 41.31 1wxb s TYR 9 CO 0.28 -0.77 -0.03 0.54 -1.57 0.00 0.00 175.55 174.00 1wxb s VAL 10 N -4.05 0.25 -0.25 0.71 0.11 0.02 -3.59 120.40 113.60 1wxb s VAL 10 Ca 0.26 -0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 1wxb s VAL 10 Cb 0.04 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 1wxb s VAL 10 CO 0.07 0.03 0.19 -0.75 -3.33 0.00 0.00 175.10 171.31 1wxb s LYS 11 N -0.17 4.05 -0.37 1.54 2.20 -1.26 -0.80 119.74 124.93 1wxb s LYS 11 Ca 0.00 -0.24 -0.28 0.00 -0.36 0.00 0.00 55.97 55.09 1wxb s LYS 11 Cb -0.02 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1wxb s LYS 11 CO -0.00 -0.01 1.70 0.42 -0.36 0.00 0.00 175.35 177.10 1wxb s ILE 12 N 1.26 3.58 -0.01 5.43 -1.09 0.57 -3.04 121.20 127.88 1wxb s ILE 12 Ca 0.08 0.57 0.20 0.00 -2.23 0.00 0.00 60.65 59.28 1wxb s ILE 12 Cb -0.14 -3.82 0.17 0.00 -1.58 0.00 0.00 42.46 37.09 1wxb s ILE 12 CO 0.06 -0.55 1.66 -0.07 -1.23 0.00 0.00 174.94 174.81 1wxb h LEU 13 N 13.50 0.00 -7.58 2.97 3.38 -1.58 0.97 115.31 126.97 1wxb h LEU 13 Ca -0.31 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.45 1wxb h LEU 13 Cb 1.15 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.63 1wxb h LEU 13 CO 1.06 0.33 -0.58 -0.31 0.09 0.00 0.00 178.44 179.03 1wxb s TYR 14 N -3.36 -0.14 0.30 1.13 2.02 -1.26 -4.68 117.35 111.38 1wxb s TYR 14 Ca 0.02 0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.78 1wxb s TYR 14 Cb 0.09 0.03 -0.10 0.00 -0.40 0.00 0.00 41.96 41.58 1wxb s TYR 14 CO 0.68 -0.08 1.36 0.16 -1.57 0.00 0.00 175.55 176.11 1wxb s ASP 15 N 0.20 6.70 -0.05 2.29 1.47 -1.26 -4.48 116.67 121.55 1wxb s ASP 15 Ca -0.01 2.70 0.02 0.00 1.18 0.00 0.00 52.55 56.44 1wxb s ASP 15 Cb -0.02 -2.64 0.02 0.00 -0.34 0.00 0.00 42.92 39.93 1wxb s ASP 15 CO -0.01 -0.62 -0.08 0.12 0.68 0.00 0.00 175.17 175.27 1wxb s PHE 16 N -0.73 1.06 -0.48 2.11 5.36 0.60 -4.88 117.98 121.02 1wxb s PHE 16 Ca 0.53 -0.35 -0.15 0.00 -0.96 0.00 0.00 56.93 56.00 1wxb s PHE 16 Cb -0.41 -0.84 0.08 0.00 -0.34 0.00 0.00 43.02 41.52 1wxb s PHE 16 CO 0.50 -0.22 0.40 0.99 -1.46 0.00 0.00 175.22 175.43 1wxb s THR 17 N 0.78 5.14 -0.31 0.12 2.01 -1.26 -1.33 115.64 120.78 1wxb s THR 17 Ca -0.13 -1.18 -0.37 0.00 0.31 0.00 0.00 61.69 60.32 1wxb s THR 17 Cb -0.15 -4.12 -0.13 0.00 0.01 0.00 0.00 72.50 68.11 1wxb s THR 17 CO 0.02 -0.63 2.03 0.00 -0.69 0.00 0.00 174.62 175.35 1wxb n ALA 18 N 5.18 0.67 0.15 7.40 0.00 -1.25 -4.79 120.51 127.87 1wxb n ALA 18 Ca -0.12 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1wxb n ALA 18 Cb 0.43 -2.43 0.21 0.00 0.00 0.00 0.00 19.45 17.66 1wxb n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wxb h ARG 19 N 10.44 0.00 0.00 0.00 3.08 -1.91 -3.46 114.38 122.53 1wxb h ARG 19 Ca -0.34 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.26 1wxb h ARG 19 Cb 1.32 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.26 1wxb h ARG 19 CO 1.00 0.56 -0.42 0.09 -1.07 0.00 0.00 179.97 180.14 1wxb n ASN 20 N -3.76 0.06 -0.06 7.04 3.02 -1.26 -5.04 115.26 115.25 1wxb n ASN 20 Ca -0.01 -2.95 -0.12 0.00 -0.03 0.00 0.00 54.58 51.47 1wxb n ASN 20 Cb 0.59 1.27 -0.06 0.00 -0.61 0.00 0.00 39.78 40.97 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 1.82 0.25 -1.05 5.41 0.00 -1.99 -2.61 119.26 121.09 1wxb h ALA 21 Ca -0.24 -0.28 0.30 0.00 0.00 0.00 0.00 54.91 54.70 1wxb h ALA 21 Cb 1.07 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1wxb h ALA 21 CO 0.36 0.07 0.75 -2.95 0.00 0.00 0.00 179.25 177.48 1wxb h ASN 22 N 0.06 0.07 -3.29 0.00 7.08 -1.96 -3.39 115.58 114.15 1wxb h ASN 22 Ca 0.04 0.01 -0.56 0.00 -3.08 0.00 0.00 56.30 52.71 1wxb h ASN 22 Cb 0.56 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.76 1wxb h ASN 22 CO 0.03 0.01 -0.15 -1.61 -2.08 0.00 0.00 177.43 173.63 1wxb s GLU 23 N -5.04 3.85 -0.07 4.14 2.02 -0.98 0.19 118.70 122.81 1wxb s GLU 23 Ca -0.06 0.31 -0.04 0.00 0.02 0.00 0.00 54.97 55.21 1wxb s GLU 23 Cb 0.23 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1wxb s GLU 23 CO 0.79 0.45 0.11 -1.17 0.02 0.00 0.00 175.26 175.46 1wxb s LEU 24 N -2.25 4.14 -0.35 1.80 2.96 -1.25 -4.67 118.68 119.06 1wxb s LEU 24 Ca 0.40 0.32 -0.15 0.00 -0.22 0.00 0.00 54.13 54.48 1wxb s LEU 24 Cb -0.13 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 1wxb s LEU 24 CO 0.20 0.35 0.34 -0.94 -1.32 0.00 0.00 176.35 174.98 1wxb s SER 25 N -1.33 6.16 0.18 3.68 1.04 -1.26 -3.76 113.70 118.40 1wxb s SER 25 Ca 0.19 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.32 1wxb s SER 25 Cb -0.12 -2.19 -0.05 0.00 0.10 0.00 0.00 66.02 63.77 1wxb s SER 25 CO 0.09 -0.35 -0.07 0.68 0.98 0.00 0.00 173.24 174.57 1wxb s VAL 26 N 1.96 1.13 0.56 5.02 -7.23 -0.45 -4.92 120.40 116.47 1wxb s VAL 26 Ca 0.10 -2.05 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 1wxb s VAL 26 Cb -0.17 -2.02 0.05 0.00 0.56 0.00 0.00 36.38 34.80 1wxb s VAL 26 CO 0.12 -0.60 0.48 -0.76 -0.31 0.00 0.00 175.10 174.02 1wxb s LEU 27 N -3.22 2.73 0.16 1.32 1.43 -1.26 -0.29 118.68 119.55 1wxb s LEU 27 Ca 0.21 -1.20 -0.23 0.00 -1.03 0.00 0.00 54.13 51.88 1wxb s LEU 27 Cb 0.04 -1.22 -0.08 0.00 0.03 0.00 0.00 46.19 44.95 1wxb s LEU 27 CO 0.03 -1.17 0.72 -0.75 0.23 0.00 0.00 176.35 175.41 1wxb s LYS 28 N -4.36 4.41 0.00 1.70 2.20 -1.26 -3.36 119.74 119.06 1wxb s LYS 28 Ca 0.38 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 1wxb s LYS 28 Cb -0.03 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1wxb s LYS 28 CO 0.24 0.54 0.00 -0.25 -0.36 0.00 0.00 175.35 175.52 1wxb n ASP 29 N 1.41 0.00 -4.68 1.43 8.00 0.34 -4.91 116.55 118.13 1wxb n ASP 29 Ca -0.06 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.15 1wxb n ASP 29 Cb 0.50 0.00 0.16 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 -0.17 0.71 -0.16 -1.24 8.01 -1.21 -4.71 118.70 119.93 1wxb s GLU 30 Ca 0.00 0.69 -0.02 0.00 0.01 0.00 0.00 54.97 55.65 1wxb s GLU 30 Cb 0.00 -1.76 0.05 0.00 -4.31 0.00 0.00 34.13 28.11 1wxb s GLU 30 CO 0.00 -2.58 0.02 0.08 0.01 0.00 0.00 175.26 172.79 1wxb s VAL 31 N -2.91 0.48 0.44 2.63 1.01 -1.26 -0.32 120.40 120.46 1wxb s VAL 31 Ca 0.65 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.36 1wxb s VAL 31 Cb -0.19 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1wxb s VAL 31 CO 0.58 -0.06 0.36 -0.76 0.00 0.00 0.00 175.10 175.22 1wxb s LEU 32 N 1.90 3.26 -0.14 3.92 2.01 0.02 -4.92 118.68 124.73 1wxb s LEU 32 Ca 0.01 -0.86 -0.04 0.00 0.01 0.00 0.00 54.13 53.25 1wxb s LEU 32 Cb -0.16 -1.85 -0.03 0.00 0.01 0.00 0.00 46.19 44.17 1wxb s LEU 32 CO -0.07 -0.71 -0.00 -0.70 1.01 0.00 0.00 176.35 175.88 1wxb s GLU 33 N -4.13 3.57 -0.10 1.70 2.12 -1.22 -0.80 118.70 119.84 1wxb s GLU 33 Ca 0.46 -0.44 -0.19 0.00 0.36 0.00 0.00 54.97 55.16 1wxb s GLU 33 Cb -0.02 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 1wxb s GLU 33 CO 0.26 0.38 0.50 0.54 -0.54 0.00 0.00 175.26 176.40 1wxb s VAL 34 N 0.02 5.15 -0.05 3.70 0.11 -1.17 -2.00 120.40 126.16 1wxb s VAL 34 Ca 0.02 1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 60.07 1wxb s VAL 34 Cb -0.13 -3.84 -0.03 0.00 -1.53 0.00 0.00 36.38 30.86 1wxb s VAL 34 CO 0.02 0.34 -0.06 0.18 -3.33 0.00 0.00 175.10 172.25 1wxb n LEU 35 N 3.51 1.64 -4.10 2.54 4.77 -1.11 -4.61 117.00 119.63 1wxb n LEU 35 Ca -0.07 0.02 -0.31 0.00 -0.03 0.00 0.00 56.01 55.62 1wxb n LEU 35 Cb 0.52 -0.17 -0.16 0.00 -2.33 0.00 0.00 43.42 41.28 1wxb n LEU 35 CO 0.43 0.34 -0.52 -1.61 -1.33 0.00 0.00 177.39 174.70 1wxb s GLU 36 N -2.10 2.63 0.41 3.23 2.02 -1.24 -5.05 118.70 118.61 1wxb s GLU 36 Ca -0.07 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.25 1wxb s GLU 36 Cb 0.02 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 32.02 1wxb s GLU 36 CO 0.10 -0.09 0.12 0.16 0.02 0.00 0.00 175.26 175.58 1wxb s ASP 37 N 1.03 2.87 0.00 -0.19 -4.77 -1.26 -2.63 116.67 111.71 1wxb s ASP 37 Ca -0.04 -1.67 0.00 0.00 -3.30 0.00 0.00 52.55 47.54 1wxb s ASP 37 Cb -0.15 0.50 0.00 0.00 -1.09 0.00 0.00 42.92 42.18 1wxb s ASP 37 CO -0.04 -0.92 0.00 0.61 0.70 0.00 0.00 175.17 175.51 1wxb n GLY 38 N -0.93 0.52 3.33 2.12 0.00 -1.26 -5.04 105.19 103.93 1wxb n GLY 38 Ca -0.07 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 1wxb n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wxb s ARG 39 N -1.02 1.29 0.11 1.61 0.52 -1.26 -5.06 118.95 115.14 1wxb s ARG 39 Ca 0.00 -1.55 -0.21 0.00 -0.52 0.00 0.00 55.73 53.44 1wxb s ARG 39 Cb 0.00 -1.07 -0.05 0.00 0.52 0.00 0.00 34.95 34.35 1wxb s ARG 39 CO 0.00 0.18 1.37 1.96 0.02 0.00 0.00 175.30 178.83 1wxb h GLN 40 N 2.65 -0.04 -5.50 3.54 4.20 -1.97 -3.37 115.11 114.61 1wxb h GLN 40 Ca -0.38 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 57.69 1wxb h GLN 40 Cb 1.22 0.01 -0.17 0.00 0.30 0.00 0.00 27.48 28.83 1wxb h GLN 40 CO 0.61 -0.03 -0.62 -1.58 -0.67 0.00 0.00 178.83 176.55 1wxb s TRP 41 N -4.73 3.15 0.39 2.96 0.52 -1.26 -4.28 118.94 115.69 1wxb s TRP 41 Ca -0.08 -0.01 -0.21 0.00 0.02 0.00 0.00 56.10 55.81 1wxb s TRP 41 Cb 0.07 -1.94 -0.10 0.00 -1.15 0.00 0.00 33.47 30.34 1wxb s TRP 41 CO 0.42 0.19 0.92 -1.58 0.02 0.00 0.00 176.95 176.92 1wxb s TRP 42 N -0.04 3.40 -0.50 -1.98 0.52 -0.86 -4.77 118.94 114.70 1wxb s TRP 42 Ca 0.04 1.59 -0.11 0.00 0.02 0.00 0.00 56.10 57.63 1wxb s TRP 42 Cb -0.13 -2.82 0.13 0.00 -1.15 0.00 0.00 33.47 29.50 1wxb s TRP 42 CO 0.02 -0.01 0.40 0.21 0.02 0.00 0.00 176.95 177.59 1wxb s LYS 43 N -2.91 2.66 0.44 4.98 2.20 -1.08 -2.17 119.74 123.85 1wxb s LYS 43 Ca 0.58 -1.77 0.04 0.00 -0.36 0.00 0.00 55.97 54.46 1wxb s LYS 43 Cb -0.11 -4.05 0.01 0.00 -1.51 0.00 0.00 37.83 32.16 1wxb s LYS 43 CO 0.16 -1.24 0.63 -0.51 -0.36 0.00 0.00 175.35 174.02 1wxb s LEU 44 N 1.40 3.64 -0.13 5.43 2.01 -1.07 -2.75 118.68 127.21 1wxb s LEU 44 Ca 0.05 -0.04 -0.05 0.00 0.01 0.00 0.00 54.13 54.10 1wxb s LEU 44 Cb -0.27 -2.89 0.06 0.00 0.01 0.00 0.00 46.19 43.10 1wxb s LEU 44 CO 0.00 -0.75 0.26 -0.60 1.01 0.00 0.00 176.35 176.27 1wxb s ARG 45 N -4.47 0.15 0.90 1.70 3.52 -0.85 -2.67 118.95 117.24 1wxb s ARG 45 Ca 0.51 0.72 -0.12 0.00 -0.13 0.00 0.00 55.73 56.71 1wxb s ARG 45 Cb -0.10 -0.05 0.13 0.00 -1.56 0.00 0.00 34.95 33.37 1wxb s ARG 45 CO 0.35 -0.27 1.14 0.45 -0.81 0.00 0.00 175.30 176.16 1wxb s SER 46 N 2.26 3.63 0.14 -2.12 0.15 -0.57 -3.43 113.70 113.76 1wxb s SER 46 Ca -0.00 0.98 0.18 0.00 0.70 0.00 0.00 55.95 57.81 1wxb s SER 46 Cb -0.12 -1.56 0.79 0.00 -1.71 0.00 0.00 66.02 63.42 1wxb s SER 46 CO -0.08 -2.48 1.57 0.54 1.20 0.00 0.00 173.24 173.98 1wxb n ARG 47 N -3.72 0.10 0.21 5.44 3.00 -1.26 -1.66 116.66 118.77 1wxb n ARG 47 Ca 0.07 0.37 0.09 0.00 -0.01 0.00 0.00 57.85 58.37 1wxb n ARG 47 Cb 0.59 -1.70 0.37 0.00 0.00 0.00 0.00 32.46 31.72 1wxb n ARG 47 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1wxb h SER 48 N 0.00 0.00 0.00 0.55 0.02 -2.04 -3.46 113.55 108.62 1wxb h SER 48 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wxb h SER 48 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1wxb h SER 48 CO 0.00 0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 1wxb n GLY 49 N 0.41 0.74 3.79 -3.77 0.00 -0.66 -5.09 105.19 100.62 1wxb n GLY 49 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.65 4.48 -0.03 1.61 -0.21 -1.26 -4.89 119.66 118.71 1wxb s GLN 50 Ca 0.00 1.21 0.00 0.00 0.02 0.00 0.00 55.36 56.59 1wxb s GLN 50 Cb 0.00 -2.74 0.03 0.00 1.00 0.00 0.00 33.01 31.29 1wxb s GLN 50 CO 0.00 0.27 0.00 0.00 -2.12 0.00 0.00 175.29 173.44 1wxb s ALA 51 N -1.67 0.28 0.27 6.09 0.00 -1.26 -1.52 121.76 123.96 1wxb s ALA 51 Ca 0.50 0.18 -0.10 0.00 0.00 0.00 0.00 51.96 52.55 1wxb s ALA 51 Cb -0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1wxb s ALA 51 CO 0.22 -0.07 0.46 0.20 0.00 0.00 0.00 175.76 176.57 1wxb s GLY 52 N 1.00 0.82 -0.16 0.00 0.00 -1.09 -4.81 107.32 103.07 1wxb s GLY 52 Ca -0.10 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 43.47 1wxb s GLY 52 CO -0.02 -0.76 0.07 -0.19 0.00 0.00 0.00 173.10 172.21 1wxb s TYR 53 N -3.73 3.31 0.16 1.90 2.02 0.51 -2.61 117.35 118.92 1wxb s TYR 53 Ca 0.25 0.18 0.03 0.00 -0.37 0.00 0.00 57.07 57.16 1wxb s TYR 53 Cb -0.00 -2.03 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 1wxb s TYR 53 CO 0.12 0.29 -0.04 0.14 -1.57 0.00 0.00 175.55 174.49 1wxb s VAL 54 N 0.02 0.87 0.36 0.71 -7.23 -0.92 -3.80 120.40 110.41 1wxb s VAL 54 Ca 0.06 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.97 1wxb s VAL 54 Cb -0.12 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 1wxb s VAL 54 CO 0.01 -0.59 1.06 -2.16 -0.31 0.00 0.00 175.10 173.11 1wxb s PRO 55 N -3.85 4.31 0.00 4.82 0.04 -1.26 -2.02 135.00 137.04 1wxb s PRO 55 Ca 0.21 1.60 0.31 0.00 0.04 0.00 0.00 61.00 63.16 1wxb s PRO 55 Cb 0.05 -2.75 1.68 0.00 0.04 0.00 0.00 34.50 33.52 1wxb s PRO 55 CO 0.02 -0.03 2.10 0.00 0.04 0.00 0.00 177.00 179.14 1wxb h ASN 57 N 0.60 0.00 0.00 0.00 4.21 -1.92 -2.70 115.58 115.77 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 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1wxb h ASN 57 CO 0.00 0.00 -0.69 2.30 -1.29 0.00 0.00 177.43 177.75 1wxb n ILE 58 N -2.70 0.00 -2.34 2.81 -5.35 -1.18 -5.00 119.36 105.61 1wxb n ILE 58 Ca 0.02 -0.27 -0.34 0.00 -0.27 0.00 0.00 62.75 61.89 1wxb n ILE 58 Cb 0.32 0.80 -0.01 0.00 -1.74 0.00 0.00 39.64 39.00 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 -2.75 3.72 0.00 7.28 1.43 -1.02 -1.51 118.68 125.84 1wxb s LEU 59 Ca 0.01 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 1wxb s LEU 59 Cb 0.06 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1wxb s LEU 59 CO 0.36 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.57 1wxb n GLY 60 N -0.40 5.44 3.33 -3.19 0.00 -1.17 -4.87 105.19 104.33 1wxb n GLY 60 Ca 0.09 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 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 2.44 2.02 -0.11 1.61 2.56 -1.26 -4.48 118.70 121.47 1wxb s GLU 61 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 54.97 54.01 1wxb s GLU 61 Cb 0.00 -2.03 0.01 0.00 2.00 0.00 0.00 34.13 34.11 1wxb s GLU 61 CO 0.00 0.55 -0.19 0.00 -0.56 0.00 0.00 175.26 175.06 1wxb s ALA 62 N -0.68 1.90 -0.12 6.30 0.00 -1.24 -4.39 121.76 123.52 1wxb s ALA 62 Ca 0.11 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 1wxb s ALA 62 Cb -0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1wxb s ALA 62 CO 0.00 0.07 0.09 -1.54 0.00 0.00 0.00 175.76 174.37 1wxb s SER 63 N 0.72 5.92 0.00 0.00 1.04 -1.26 -4.70 113.70 115.42 1wxb s SER 63 Ca -0.11 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1wxb s SER 63 Cb -0.16 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1wxb s SER 63 CO 0.02 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1wxb n GLY 64 N 2.34 3.94 3.78 7.32 0.00 -1.26 -5.11 105.19 116.20 1wxb n GLY 64 Ca -0.19 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.31 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 -1.25 4.16 0.18 1.61 0.04 -1.26 -5.05 135.00 133.43 1wxb s PRO 65 Ca 0.00 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.35 1wxb s PRO 65 Cb 0.00 -2.55 0.06 0.00 0.04 0.00 0.00 34.50 32.05 1wxb s PRO 65 CO 0.00 -0.14 0.59 -1.54 0.04 0.00 0.00 177.00 175.95 1wxb s SER 66 N -1.54 -0.47 0.09 6.66 1.04 -1.26 -5.13 113.70 113.09 1wxb s SER 66 Ca 0.58 -0.15 -0.31 0.00 0.48 0.00 0.00 55.95 56.55 1wxb s SER 66 Cb -0.22 0.61 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 1wxb s SER 66 CO 0.28 -1.02 1.74 -0.44 0.98 0.00 0.00 173.24 174.78 1wxb s SER 67 N -2.79 6.52 0.00 7.02 0.01 -1.26 -5.34 113.70 117.86 1wxb s SER 67 Ca 0.03 2.62 0.00 0.00 1.31 0.00 0.00 55.95 59.91 1wxb s SER 67 Cb -0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wxb s SER 67 CO -0.09 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.22