#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 6.95 -0.92 1.61 0.01 -1.26 -5.02 113.70 115.08 1wxb s SER 2 Ca 0.00 1.42 -0.02 0.00 1.31 0.00 0.00 55.95 58.66 1wxb s SER 2 Cb 0.00 -2.43 0.24 0.00 0.21 0.00 0.00 66.02 64.04 1wxb s SER 2 CO 0.00 -0.11 0.89 -0.24 0.41 0.00 0.00 173.24 174.19 1wxb n SER 3 N 0.14 4.54 0.00 2.44 2.88 -1.26 -4.86 113.62 117.50 1wxb n SER 3 Ca 0.01 -3.18 0.00 0.00 -1.33 0.00 0.00 58.87 54.37 1wxb n SER 3 Cb 0.52 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1wxb n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxb n GLY 4 N 2.10 -0.21 3.82 0.46 0.00 -1.26 -5.01 105.19 105.08 1wxb n GLY 4 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.91 5.88 -0.40 1.61 1.04 -1.26 -5.08 113.70 113.58 1wxb s SER 5 Ca 0.00 0.20 -0.09 0.00 0.48 0.00 0.00 55.95 56.54 1wxb s SER 5 Cb 0.00 -1.73 0.07 0.00 0.10 0.00 0.00 66.02 64.45 1wxb s SER 5 CO 0.00 0.26 0.23 -0.55 0.98 0.00 0.00 173.24 174.16 1wxb s SER 6 N -1.85 5.61 0.64 7.02 0.15 -1.26 -5.08 113.70 118.93 1wxb s SER 6 Ca 0.25 -1.39 -0.17 0.00 0.70 0.00 0.00 55.95 55.34 1wxb s SER 6 Cb -0.12 -1.98 -0.01 0.00 -1.71 0.00 0.00 66.02 62.20 1wxb s SER 6 CO 0.16 -0.49 1.20 -0.83 1.20 0.00 0.00 173.24 174.48 1wxb s GLY 7 N 1.93 2.55 0.19 9.45 0.00 -1.26 -5.04 107.32 115.15 1wxb s GLY 7 Ca 0.02 0.91 0.10 0.00 0.00 0.00 0.00 44.72 45.76 1wxb s GLY 7 CO 0.03 1.31 -0.21 1.25 0.00 0.00 0.00 173.10 175.47 1wxb s LYS 8 N -3.59 1.44 0.31 2.90 2.20 -1.26 -5.15 119.74 116.58 1wxb s LYS 8 Ca 0.75 -1.51 -0.02 0.00 -0.36 0.00 0.00 55.97 54.84 1wxb s LYS 8 Cb -0.29 -1.62 -0.01 0.00 -1.51 0.00 0.00 37.83 34.41 1wxb s LYS 8 CO 0.38 0.34 0.39 0.71 -0.36 0.00 0.00 175.35 176.80 1wxb s TYR 9 N -1.94 1.14 0.00 4.03 1.51 -1.26 -3.54 117.35 117.29 1wxb s TYR 9 Ca 0.20 -1.31 0.02 0.00 -1.01 0.00 0.00 57.07 54.96 1wxb s TYR 9 Cb -0.07 -0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 41.54 1wxb s TYR 9 CO 0.09 -1.00 -0.06 0.54 -1.11 0.00 0.00 175.55 174.01 1wxb s VAL 10 N -3.39 0.46 -0.34 0.71 0.11 -1.20 -4.00 120.40 112.75 1wxb s VAL 10 Ca 0.33 -0.39 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 1wxb s VAL 10 Cb 0.01 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 1wxb s VAL 10 CO 0.19 0.04 0.22 -0.75 -3.33 0.00 0.00 175.10 171.47 1wxb s LYS 11 N -0.39 3.40 0.34 1.54 2.47 -1.26 -2.62 119.74 123.22 1wxb s LYS 11 Ca 0.00 -0.70 -0.29 0.00 -1.56 0.00 0.00 55.97 53.42 1wxb s LYS 11 Cb -0.04 -3.75 -0.11 0.00 -1.46 0.00 0.00 37.83 32.48 1wxb s LYS 11 CO -0.00 -0.46 1.36 0.42 0.16 0.00 0.00 175.35 176.83 1wxb s ILE 12 N 1.69 2.51 -0.03 5.43 -1.09 0.25 -2.59 121.20 127.37 1wxb s ILE 12 Ca 0.05 0.51 0.13 0.00 -2.23 0.00 0.00 60.65 59.11 1wxb s ILE 12 Cb -0.17 -3.33 -0.19 0.00 -1.58 0.00 0.00 42.46 37.18 1wxb s ILE 12 CO 0.09 0.12 0.26 0.18 -1.23 0.00 0.00 174.94 174.36 1wxb n LEU 13 N 0.72 0.00 -3.84 2.97 4.77 -0.06 -1.10 117.00 120.46 1wxb n LEU 13 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1wxb n LEU 13 Cb 0.41 0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 1wxb n LEU 13 CO 0.61 0.03 -0.34 -0.31 -1.33 0.00 0.00 177.39 176.04 1wxb s TYR 14 N -2.84 -0.01 -0.26 -1.77 1.51 -1.26 -4.67 117.35 108.06 1wxb s TYR 14 Ca -0.05 0.07 -0.29 0.00 -1.01 0.00 0.00 57.07 55.79 1wxb s TYR 14 Cb 0.08 -0.04 -0.02 0.00 -0.11 0.00 0.00 41.96 41.87 1wxb s TYR 14 CO 0.53 -0.03 1.54 0.16 -1.11 0.00 0.00 175.55 176.65 1wxb s ASP 15 N 0.23 6.41 0.00 2.29 1.47 -1.26 -4.37 116.67 121.44 1wxb s ASP 15 Ca -0.02 1.46 0.00 0.00 1.18 0.00 0.00 52.55 55.18 1wxb s ASP 15 Cb -0.03 -2.53 -0.04 0.00 -0.34 0.00 0.00 42.92 39.98 1wxb s ASP 15 CO -0.01 -1.25 0.05 0.12 0.68 0.00 0.00 175.17 174.76 1wxb s PHE 16 N 5.13 3.20 -0.37 2.11 5.36 0.35 -4.89 117.98 128.86 1wxb s PHE 16 Ca 0.68 0.15 0.02 0.00 -0.96 0.00 0.00 56.93 56.82 1wxb s PHE 16 Cb -0.22 -1.70 0.11 0.00 -0.34 0.00 0.00 43.02 40.86 1wxb s PHE 16 CO 0.28 0.52 0.11 0.99 -1.46 0.00 0.00 175.22 175.66 1wxb s THR 17 N -1.17 2.58 -0.49 0.12 2.01 -1.26 -1.92 115.64 115.51 1wxb s THR 17 Ca 0.22 -2.35 -0.45 0.00 0.31 0.00 0.00 61.69 59.42 1wxb s THR 17 Cb -0.12 -2.85 -0.19 0.00 0.01 0.00 0.00 72.50 69.35 1wxb s THR 17 CO 0.13 -0.64 1.89 0.00 -0.69 0.00 0.00 174.62 175.31 1wxb n ALA 18 N 4.25 -0.48 0.62 7.40 0.00 -1.26 -4.77 120.51 126.28 1wxb n ALA 18 Ca 0.03 0.33 0.11 0.00 0.00 0.00 0.00 53.44 53.90 1wxb n ALA 18 Cb 0.41 -2.03 -0.01 0.00 0.00 0.00 0.00 19.45 17.83 1wxb n ALA 18 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wxb n ARG 19 N 5.89 0.25 -4.65 0.00 0.00 -1.26 -4.94 116.66 111.94 1wxb n ARG 19 Ca 0.43 -0.02 -0.29 0.00 -0.00 0.00 0.00 57.85 57.97 1wxb n ARG 19 Cb -0.04 -1.56 -0.09 0.00 -0.00 0.00 0.00 32.46 30.77 1wxb n ARG 19 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1wxb s ASN 20 N -3.75 3.67 0.18 2.89 0.02 -1.26 -5.04 114.94 111.66 1wxb s ASN 20 Ca 0.04 -1.55 0.11 0.00 -1.02 0.00 0.00 52.86 50.44 1wxb s ASN 20 Cb 0.15 0.21 -0.08 0.00 0.02 0.00 0.00 41.25 41.55 1wxb s ASN 20 CO 0.82 -0.73 1.32 0.00 0.02 0.00 0.00 177.10 178.52 1wxb h ALA 21 N 1.61 0.52 -0.65 0.60 0.00 -2.01 -3.23 119.26 116.10 1wxb h ALA 21 Ca -0.42 -0.72 -0.44 0.00 0.00 0.00 0.00 54.91 53.33 1wxb h ALA 21 Cb 1.28 -0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 1wxb h ALA 21 CO 0.73 0.96 0.57 0.09 0.00 0.00 0.00 179.25 181.60 1wxb n ASN 22 N -3.26 6.88 -3.96 0.00 3.02 -1.26 -4.87 115.26 111.81 1wxb n ASN 22 Ca -0.00 -3.30 -0.09 0.00 -0.03 0.00 0.00 54.58 51.16 1wxb n ASN 22 Cb 0.85 -1.03 -0.09 0.00 -0.61 0.00 0.00 39.78 38.89 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 -2.48 0.61 0.02 3.52 2.02 -1.22 -2.18 118.70 118.99 1wxb s GLU 23 Ca 0.42 -0.88 0.07 0.00 0.02 0.00 0.00 54.97 54.61 1wxb s GLU 23 Cb 0.33 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.76 1wxb s GLU 23 CO -0.01 -0.15 -0.20 -1.17 0.02 0.00 0.00 175.26 173.75 1wxb s LEU 24 N -2.35 2.46 -0.26 1.80 2.96 -1.13 -4.50 118.68 117.66 1wxb s LEU 24 Ca -0.02 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 1wxb s LEU 24 Cb 0.01 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 1wxb s LEU 24 CO -0.06 0.27 0.24 -0.94 -1.32 0.00 0.00 176.35 174.54 1wxb s SER 25 N -1.22 6.15 0.04 3.68 1.04 -1.26 -4.03 113.70 118.10 1wxb s SER 25 Ca 0.13 0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.74 1wxb s SER 25 Cb -0.10 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 63.85 1wxb s SER 25 CO 0.03 -0.04 -0.10 0.68 0.98 0.00 0.00 173.24 174.79 1wxb s VAL 26 N 1.55 0.75 0.72 5.02 -7.23 -0.81 -4.94 120.40 115.46 1wxb s VAL 26 Ca 0.10 -1.05 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1wxb s VAL 26 Cb -0.15 -0.75 0.13 0.00 0.56 0.00 0.00 36.38 36.17 1wxb s VAL 26 CO 0.08 -0.25 0.99 -0.76 -0.31 0.00 0.00 175.10 174.86 1wxb s LEU 27 N -1.43 2.96 0.12 1.32 1.02 -1.26 0.13 118.68 121.53 1wxb s LEU 27 Ca -0.05 -0.50 -0.26 0.00 0.02 0.00 0.00 54.13 53.34 1wxb s LEU 27 Cb -0.09 -1.78 -0.07 0.00 0.02 0.00 0.00 46.19 44.27 1wxb s LEU 27 CO 0.01 -1.88 0.79 -0.75 0.02 0.00 0.00 176.35 174.54 1wxb s LYS 28 N -5.11 4.56 -0.19 1.70 2.36 -1.26 -3.32 119.74 118.47 1wxb s LYS 28 Ca 0.67 1.15 0.00 0.00 -2.55 0.00 0.00 55.97 55.24 1wxb s LYS 28 Cb -0.05 -3.31 0.00 0.00 -1.05 0.00 0.00 37.83 33.43 1wxb s LYS 28 CO 0.44 0.44 0.00 -3.47 1.55 0.00 0.00 175.35 174.31 1wxb n ASP 29 N 2.14 -3.28 -4.97 1.43 2.03 -0.26 -4.92 116.55 108.72 1wxb n ASP 29 Ca -0.04 0.05 -0.21 0.00 0.52 0.00 0.00 54.79 55.11 1wxb n ASP 29 Cb 0.49 -0.94 -0.00 0.00 -0.72 0.00 0.00 41.12 39.95 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 -1.82 3.20 -0.06 -0.67 2.02 -1.21 -4.83 118.70 115.33 1wxb s GLU 30 Ca 0.00 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.28 1wxb s GLU 30 Cb 0.00 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.52 1wxb s GLU 30 CO 0.00 0.03 -0.06 0.08 0.02 0.00 0.00 175.26 175.34 1wxb s VAL 31 N -2.28 0.70 0.53 2.63 1.01 -1.26 0.87 120.40 122.60 1wxb s VAL 31 Ca 0.44 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1wxb s VAL 31 Cb -0.10 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.57 1wxb s VAL 31 CO 0.33 0.28 0.17 -0.76 0.00 0.00 0.00 175.10 175.12 1wxb s LEU 32 N 1.17 2.46 -0.37 3.92 2.01 -1.08 -4.95 118.68 121.84 1wxb s LEU 32 Ca -0.07 -1.48 -0.13 0.00 0.01 0.00 0.00 54.13 52.46 1wxb s LEU 32 Cb -0.14 -0.93 0.01 0.00 0.01 0.00 0.00 46.19 45.14 1wxb s LEU 32 CO -0.01 -0.96 0.25 -0.70 1.01 0.00 0.00 176.35 175.93 1wxb s GLU 33 N -4.05 3.11 -0.03 1.70 2.12 -1.13 -3.25 118.70 117.17 1wxb s GLU 33 Ca 0.18 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 54.30 1wxb s GLU 33 Cb -0.00 -3.84 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 1wxb s GLU 33 CO 0.11 -0.63 1.16 0.54 -0.54 0.00 0.00 175.26 175.90 1wxb s VAL 34 N 1.66 4.31 -0.09 3.70 0.11 -1.23 -1.16 120.40 127.70 1wxb s VAL 34 Ca 0.05 1.64 0.01 0.00 -2.93 0.00 0.00 61.98 60.74 1wxb s VAL 34 Cb -0.18 -4.05 -0.06 0.00 -1.53 0.00 0.00 36.38 30.56 1wxb s VAL 34 CO 0.09 0.03 -0.07 0.18 -3.33 0.00 0.00 175.10 172.00 1wxb n LEU 35 N 4.84 2.94 -3.95 2.54 4.77 -0.54 -4.80 117.00 122.79 1wxb n LEU 35 Ca 0.10 -0.05 -0.25 0.00 -0.03 0.00 0.00 56.01 55.78 1wxb n LEU 35 Cb 0.47 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 41.10 1wxb n LEU 35 CO 0.55 0.64 -0.45 -1.61 -1.33 0.00 0.00 177.39 175.18 1wxb s GLU 36 N -2.17 1.54 0.29 3.23 0.41 -1.20 -5.00 118.70 115.80 1wxb s GLU 36 Ca -0.11 -0.31 0.03 0.00 -0.41 0.00 0.00 54.97 54.17 1wxb s GLU 36 Cb 0.03 -1.45 -0.04 0.00 -1.78 0.00 0.00 34.13 30.89 1wxb s GLU 36 CO 0.20 -0.13 0.15 0.16 -0.49 0.00 0.00 175.26 175.15 1wxb s ASP 37 N 1.21 1.36 0.00 -0.19 -4.77 -1.26 -1.88 116.67 111.14 1wxb s ASP 37 Ca -0.04 -1.53 0.00 0.00 -3.30 0.00 0.00 52.55 47.68 1wxb s ASP 37 Cb -0.14 0.36 0.00 0.00 -1.09 0.00 0.00 42.92 42.05 1wxb s ASP 37 CO -0.03 -0.87 0.00 0.61 0.70 0.00 0.00 175.17 175.58 1wxb n GLY 38 N -0.54 1.71 3.91 2.12 0.00 -1.26 -5.03 105.19 106.11 1wxb n GLY 38 Ca 0.01 0.00 -0.20 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 -0.50 2.83 0.00 1.61 6.06 -1.26 -5.04 118.95 122.64 1wxb s ARG 39 Ca 0.00 -1.24 0.00 0.00 -2.50 0.00 0.00 55.73 51.99 1wxb s ARG 39 Cb 0.00 -2.59 0.00 0.00 0.06 0.00 0.00 34.95 32.42 1wxb s ARG 39 CO 0.00 0.02 0.80 1.04 -2.50 0.00 0.00 175.30 174.65 1wxb n GLN 40 N -1.52 0.00 -4.04 5.12 1.13 -1.26 -4.29 117.38 112.52 1wxb n GLN 40 Ca 0.00 0.80 -0.36 0.00 -1.94 0.00 0.00 57.00 55.50 1wxb n GLN 40 Cb 0.59 -1.25 -0.08 0.00 0.11 0.00 0.00 30.24 29.61 1wxb n GLN 40 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1wxb s TRP 41 N -2.49 3.37 0.59 1.08 0.52 -1.26 -4.30 118.94 116.45 1wxb s TRP 41 Ca 0.00 0.31 -0.08 0.00 0.02 0.00 0.00 56.10 56.35 1wxb s TRP 41 Cb 0.00 -1.94 -0.01 0.00 -1.15 0.00 0.00 33.47 30.36 1wxb s TRP 41 CO 0.00 0.49 0.93 -1.58 0.02 0.00 0.00 176.95 176.81 1wxb s TRP 42 N -0.55 3.43 -0.36 -1.98 0.52 -0.89 -4.79 118.94 114.32 1wxb s TRP 42 Ca 0.11 0.90 0.02 0.00 0.02 0.00 0.00 56.10 57.15 1wxb s TRP 42 Cb -0.12 -2.68 0.10 0.00 -1.15 0.00 0.00 33.47 29.62 1wxb s TRP 42 CO 0.02 -0.72 0.09 0.21 0.02 0.00 0.00 176.95 176.58 1wxb s LYS 43 N -5.03 1.63 0.42 4.98 2.20 -0.79 -1.88 119.74 121.26 1wxb s LYS 43 Ca 0.53 -1.87 0.04 0.00 -0.36 0.00 0.00 55.97 54.32 1wxb s LYS 43 Cb -0.11 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1wxb s LYS 43 CO 0.48 -0.98 0.60 -0.51 -0.36 0.00 0.00 175.35 174.58 1wxb s LEU 44 N 0.96 3.71 -0.08 5.43 2.01 -0.93 -1.47 118.68 128.31 1wxb s LEU 44 Ca 0.10 -0.06 -0.01 0.00 0.01 0.00 0.00 54.13 54.17 1wxb s LEU 44 Cb -0.20 -2.87 0.03 0.00 0.01 0.00 0.00 46.19 43.15 1wxb s LEU 44 CO -0.07 -0.68 -0.02 -0.60 1.01 0.00 0.00 176.35 175.99 1wxb s ARG 45 N -4.41 0.83 0.91 1.70 3.52 -0.31 -1.89 118.95 119.30 1wxb s ARG 45 Ca 0.50 0.02 -0.11 0.00 -0.13 0.00 0.00 55.73 56.00 1wxb s ARG 45 Cb -0.10 -1.12 0.14 0.00 -1.56 0.00 0.00 34.95 32.31 1wxb s ARG 45 CO 0.35 -0.29 1.09 -1.54 -0.81 0.00 0.00 175.30 174.09 1wxb s SER 46 N 1.91 3.31 0.36 -2.12 1.04 0.23 -2.82 113.70 115.62 1wxb s SER 46 Ca 0.05 1.62 0.27 0.00 0.48 0.00 0.00 55.95 58.37 1wxb s SER 46 Cb -0.12 -2.27 1.15 0.00 0.10 0.00 0.00 66.02 64.87 1wxb s SER 46 CO -0.06 -2.76 1.81 -0.09 0.98 0.00 0.00 173.24 173.12 1wxb h ARG 47 N -1.63 0.00 0.00 4.02 9.65 -1.92 -1.82 114.38 122.67 1wxb h ARG 47 Ca -0.49 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.38 1wxb h ARG 47 Cb 1.28 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.86 1wxb h ARG 47 CO 0.52 0.00 -0.06 1.03 2.80 0.00 0.00 179.97 184.27 1wxb h SER 48 N 0.00 0.00 0.00 -3.80 0.87 -2.03 -3.46 113.55 105.13 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 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1wxb h SER 48 CO 0.00 0.06 0.00 0.61 -0.53 0.00 0.00 176.83 176.97 1wxb n GLY 49 N 0.35 1.22 3.85 5.77 0.00 -0.68 -5.10 105.19 110.60 1wxb n GLY 49 Ca 0.01 0.00 -0.37 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 -0.39 3.61 -0.09 1.61 -1.52 -1.25 -4.90 119.66 116.74 1wxb s GLN 50 Ca 0.00 -0.11 0.04 0.00 -1.95 0.00 0.00 55.36 53.33 1wxb s GLN 50 Cb 0.00 -3.24 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 1wxb s GLN 50 CO 0.00 0.68 -0.21 0.00 -0.25 0.00 0.00 175.29 175.51 1wxb s ALA 51 N -0.75 1.90 0.15 6.09 0.00 -1.26 0.78 121.76 128.67 1wxb s ALA 51 Ca 0.14 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 1wxb s ALA 51 Cb -0.12 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1wxb s ALA 51 CO 0.03 0.25 0.33 0.20 0.00 0.00 0.00 175.76 176.57 1wxb s GLY 52 N 0.40 0.15 0.20 0.00 0.00 -0.79 -4.77 107.32 102.51 1wxb s GLY 52 Ca -0.17 -0.55 -0.06 0.00 0.00 0.00 0.00 44.72 43.94 1wxb s GLY 52 CO 0.07 -0.62 0.47 -0.19 0.00 0.00 0.00 173.10 172.82 1wxb s TYR 53 N -3.90 3.46 0.17 1.90 2.02 -0.93 -2.19 117.35 117.88 1wxb s TYR 53 Ca 0.10 0.66 -0.13 0.00 -0.37 0.00 0.00 57.07 57.33 1wxb s TYR 53 Cb 0.03 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 1wxb s TYR 53 CO -0.05 0.33 0.39 0.14 -1.57 0.00 0.00 175.55 174.78 1wxb s VAL 54 N -1.81 0.06 0.42 0.71 -7.23 -0.79 -2.84 120.40 108.92 1wxb s VAL 54 Ca 0.43 -1.04 -0.23 0.00 -1.81 0.00 0.00 61.98 59.33 1wxb s VAL 54 Cb -0.11 -1.63 -0.09 0.00 0.56 0.00 0.00 36.38 35.11 1wxb s VAL 54 CO 0.25 -0.25 1.05 -2.16 -0.31 0.00 0.00 175.10 173.68 1wxb s PRO 55 N -3.90 4.07 0.00 4.82 0.04 -1.26 -2.10 135.00 136.66 1wxb s PRO 55 Ca 0.11 1.49 0.25 0.00 0.04 0.00 0.00 61.00 62.89 1wxb s PRO 55 Cb 0.02 -2.43 1.21 0.00 0.04 0.00 0.00 34.50 33.33 1wxb s PRO 55 CO -0.03 -0.22 1.81 0.00 0.04 0.00 0.00 177.00 178.60 1wxb h ASN 57 N 1.10 0.00 0.00 0.00 -1.24 -1.93 -2.93 115.58 110.58 1wxb h ASN 57 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1wxb h ASN 57 Cb 0.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.29 1wxb h ASN 57 CO 0.00 0.00 -1.27 2.30 -1.29 0.00 0.00 177.43 177.17 1wxb n ILE 58 N -2.94 0.00 -1.76 2.57 -5.35 -1.20 -4.98 119.36 105.70 1wxb n ILE 58 Ca 0.02 -0.26 -0.32 0.00 -0.27 0.00 0.00 62.75 61.92 1wxb n ILE 58 Cb 0.37 0.44 0.04 0.00 -1.74 0.00 0.00 39.64 38.76 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 -3.47 3.34 0.00 7.28 1.43 -1.11 -0.88 118.68 125.27 1wxb s LEU 59 Ca -0.02 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1wxb s LEU 59 Cb 0.08 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.77 1wxb s LEU 59 CO 0.49 -1.50 0.00 0.61 0.23 0.00 0.00 176.35 176.18 1wxb n GLY 60 N -0.98 4.90 3.60 -3.19 0.00 -1.07 -4.84 105.19 103.61 1wxb n GLY 60 Ca 0.09 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 1.70 2.76 0.01 1.61 2.12 -1.26 -4.23 118.70 121.41 1wxb s GLU 61 Ca 0.00 -0.54 0.04 0.00 0.36 0.00 0.00 54.97 54.83 1wxb s GLU 61 Cb 0.00 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 1wxb s GLU 61 CO 0.00 0.66 -0.09 0.00 -0.54 0.00 0.00 175.26 175.29 1wxb s ALA 62 N -0.85 2.91 -0.10 6.30 0.00 -1.26 -4.29 121.76 124.49 1wxb s ALA 62 Ca 0.13 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 1wxb s ALA 62 Cb -0.11 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 1wxb s ALA 62 CO 0.02 0.60 -0.17 0.45 0.00 0.00 0.00 175.76 176.67 1wxb n SER 63 N 1.55 1.14 0.00 0.00 2.88 -1.26 -4.91 113.62 113.01 1wxb n SER 63 Ca -0.15 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1wxb n SER 63 Cb 0.52 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 2.30 0.12 2.52 0.46 0.00 -1.26 -5.03 105.19 104.30 1wxb n GLY 64 Ca -0.19 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1wxb n GLY 64 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wxb n PRO 65 N -0.05 2.72 -2.33 1.61 -0.04 -1.26 -4.53 135.00 131.12 1wxb n PRO 65 Ca 0.00 -1.81 -0.01 0.00 -0.04 0.00 0.00 63.50 61.64 1wxb n PRO 65 Cb 0.00 -2.64 -0.01 0.00 -0.04 0.00 0.00 33.50 30.81 1wxb n PRO 65 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wxb n SER 66 N 4.19 -5.01 -3.19 3.54 7.64 -1.26 -5.06 113.62 114.46 1wxb n SER 66 Ca 0.58 1.00 0.01 0.00 1.01 0.00 0.00 58.87 61.47 1wxb n SER 66 Cb 0.19 -4.04 -0.01 0.00 -1.01 0.00 0.00 64.21 59.34 1wxb n SER 66 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wxb s SER 67 N -0.99 -1.28 0.00 6.43 1.04 -1.26 -5.25 113.70 112.38 1wxb s SER 67 Ca -0.05 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1wxb s SER 67 Cb 0.00 1.86 0.00 0.00 0.10 0.00 0.00 66.02 67.98 1wxb s SER 67 CO 0.55 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.12