#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 -3.39 -3.44 1.61 7.64 -1.26 -5.09 113.62 109.69 1wxb n SER 2 Ca 0.00 0.79 -0.18 0.00 1.01 0.00 0.00 58.87 60.49 1wxb n SER 2 Cb 0.00 3.21 -0.11 0.00 -1.01 0.00 0.00 64.21 66.30 1wxb n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wxb s SER 3 N -2.47 1.72 -0.38 6.43 0.01 -1.26 -5.04 113.70 112.71 1wxb s SER 3 Ca 0.00 -0.59 -0.00 0.00 1.31 0.00 0.00 55.95 56.67 1wxb s SER 3 Cb 0.00 0.40 0.25 0.00 0.21 0.00 0.00 66.02 66.88 1wxb s SER 3 CO 0.00 -0.37 1.09 0.61 0.41 0.00 0.00 173.24 174.98 1wxb n GLY 4 N 5.31 -1.23 3.65 3.44 0.00 -1.26 -5.12 105.19 109.97 1wxb n GLY 4 Ca -0.04 0.81 -0.05 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.32 -0.18 0.00 1.61 0.15 -1.26 -4.92 113.70 108.78 1wxb s SER 5 Ca 0.27 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1wxb s SER 5 Cb 0.18 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1wxb s SER 5 CO -0.12 -0.06 0.00 -0.24 1.20 0.00 0.00 173.24 174.02 1wxb n SER 6 N 1.90 0.00 -3.80 5.45 2.88 -1.25 -4.92 113.62 113.88 1wxb n SER 6 Ca -0.11 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.06 1wxb n SER 6 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1wxb n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxb n GLY 7 N 0.00 -2.62 3.40 0.46 0.00 -1.26 -4.87 105.19 100.30 1wxb n GLY 7 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.89 1.53 0.19 1.61 2.47 -1.26 -4.50 119.74 118.88 1wxb s LYS 8 Ca 0.52 -1.81 -0.08 0.00 -1.56 0.00 0.00 55.97 53.04 1wxb s LYS 8 Cb -0.51 -0.83 -0.02 0.00 -1.46 0.00 0.00 37.83 35.02 1wxb s LYS 8 CO 0.57 -0.12 0.28 0.71 0.16 0.00 0.00 175.35 176.95 1wxb s TYR 9 N -3.29 0.59 -0.01 4.03 2.02 -1.26 -3.89 117.35 115.53 1wxb s TYR 9 Ca 0.33 -0.92 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 1wxb s TYR 9 Cb 0.07 -0.14 -0.00 0.00 -0.40 0.00 0.00 41.96 41.49 1wxb s TYR 9 CO 0.13 -0.75 -0.07 0.54 -1.57 0.00 0.00 175.55 173.83 1wxb s VAL 10 N -4.03 0.53 -0.26 0.71 0.11 -1.16 -3.55 120.40 112.76 1wxb s VAL 10 Ca 0.24 -0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 58.90 1wxb s VAL 10 Cb 0.03 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 1wxb s VAL 10 CO 0.05 0.16 0.20 -0.75 -3.33 0.00 0.00 175.10 171.43 1wxb s LYS 11 N -0.06 4.02 -0.01 1.54 2.20 -1.26 -2.09 119.74 124.09 1wxb s LYS 11 Ca 0.01 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.08 1wxb s LYS 11 Cb -0.04 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.63 1wxb s LYS 11 CO -0.00 -0.06 1.56 0.42 -0.36 0.00 0.00 175.35 176.90 1wxb s ILE 12 N 1.42 3.49 -0.06 5.43 -1.09 0.29 -3.07 121.20 127.62 1wxb s ILE 12 Ca 0.08 0.80 0.13 0.00 -2.23 0.00 0.00 60.65 59.44 1wxb s ILE 12 Cb -0.15 -3.52 -0.18 0.00 -1.58 0.00 0.00 42.46 37.04 1wxb s ILE 12 CO 0.08 -0.03 0.85 -0.07 -1.23 0.00 0.00 174.94 174.53 1wxb h LEU 13 N 9.11 0.00 -7.74 2.97 3.38 -1.66 -2.19 115.31 119.19 1wxb h LEU 13 Ca -0.39 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.31 1wxb h LEU 13 Cb 1.18 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.64 1wxb h LEU 13 CO 0.93 0.83 -0.73 -0.31 0.09 0.00 0.00 178.44 179.25 1wxb s TYR 14 N -2.74 0.14 0.02 1.13 2.02 -1.26 -4.79 117.35 111.87 1wxb s TYR 14 Ca -0.03 -0.01 -0.30 0.00 -0.37 0.00 0.00 57.07 56.36 1wxb s TYR 14 Cb 0.08 -0.13 -0.08 0.00 -0.40 0.00 0.00 41.96 41.44 1wxb s TYR 14 CO 0.81 -0.02 1.79 0.16 -1.57 0.00 0.00 175.55 176.73 1wxb s ASP 15 N 0.17 6.55 0.00 2.29 1.47 -1.26 -4.56 116.67 121.33 1wxb s ASP 15 Ca -0.01 2.49 0.08 0.00 1.18 0.00 0.00 52.55 56.29 1wxb s ASP 15 Cb -0.03 -2.54 -0.02 0.00 -0.34 0.00 0.00 42.92 39.99 1wxb s ASP 15 CO -0.00 -0.98 -0.25 0.12 0.68 0.00 0.00 175.17 174.74 1wxb s PHE 16 N 3.89 2.20 -0.21 2.11 5.36 0.17 -4.91 117.98 126.60 1wxb s PHE 16 Ca 0.80 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 56.37 1wxb s PHE 16 Cb -0.39 -1.39 0.04 0.00 -0.34 0.00 0.00 43.02 40.94 1wxb s PHE 16 CO 0.35 0.01 -0.13 0.99 -1.46 0.00 0.00 175.22 174.99 1wxb s THR 17 N -0.65 1.86 -0.49 0.12 2.01 -1.26 0.17 115.64 117.39 1wxb s THR 17 Ca 0.10 -1.13 -0.45 0.00 0.31 0.00 0.00 61.69 60.52 1wxb s THR 17 Cb -0.10 -1.87 -0.19 0.00 0.01 0.00 0.00 72.50 70.35 1wxb s THR 17 CO -0.00 0.22 1.87 0.00 -0.69 0.00 0.00 174.62 176.02 1wxb n ALA 18 N 4.61 -0.56 0.48 7.40 0.00 -1.23 -4.77 120.51 126.45 1wxb n ALA 18 Ca -0.16 0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1wxb n ALA 18 Cb 0.46 -2.01 0.14 0.00 0.00 0.00 0.00 19.45 18.04 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 7.04 0.00 0.00 0.00 2.47 -1.90 -3.47 114.38 118.51 1wxb h ARG 19 Ca -0.28 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.27 1wxb h ARG 19 Cb 1.39 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.67 1wxb h ARG 19 CO 1.03 0.00 -0.15 0.09 0.56 0.00 0.00 179.97 181.50 1wxb n ASN 20 N -2.23 0.71 0.07 7.04 3.02 -1.26 -5.05 115.26 117.57 1wxb n ASN 20 Ca 0.03 -1.72 -0.05 0.00 -0.03 0.00 0.00 54.58 52.81 1wxb n ASN 20 Cb 0.46 0.39 -0.09 0.00 -0.61 0.00 0.00 39.78 39.93 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 1.26 0.46 -0.68 5.41 0.00 -2.01 -3.25 119.26 120.44 1wxb h ALA 21 Ca -0.10 -0.87 -0.48 0.00 0.00 0.00 0.00 54.91 53.46 1wxb h ALA 21 Cb 0.40 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 17.91 1wxb h ALA 21 CO 0.15 1.15 0.60 0.09 0.00 0.00 0.00 179.25 181.24 1wxb n ASN 22 N -3.29 6.95 -3.90 0.00 4.13 -1.26 -4.87 115.26 113.03 1wxb n ASN 22 Ca -0.01 -3.36 -0.10 0.00 1.68 0.00 0.00 54.58 52.78 1wxb n ASN 22 Cb 0.91 -1.05 -0.10 0.00 -1.54 0.00 0.00 39.78 38.00 1wxb n ASN 22 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1wxb s GLU 23 N -2.60 0.47 -0.07 3.52 2.02 -1.23 -2.22 118.70 118.59 1wxb s GLU 23 Ca 0.46 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.96 1wxb s GLU 23 Cb 0.36 0.19 -0.03 0.00 0.10 0.00 0.00 34.13 34.75 1wxb s GLU 23 CO -0.05 -0.11 -0.09 -1.17 0.02 0.00 0.00 175.26 173.87 1wxb s LEU 24 N -1.53 3.06 -0.24 1.80 2.96 -1.22 -4.54 118.68 118.97 1wxb s LEU 24 Ca -0.13 -0.08 -0.13 0.00 -0.22 0.00 0.00 54.13 53.57 1wxb s LEU 24 Cb -0.07 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1wxb s LEU 24 CO 0.00 0.34 0.27 -0.44 -1.32 0.00 0.00 176.35 175.20 1wxb s SER 25 N -0.67 6.22 0.30 3.68 0.01 -1.26 -3.51 113.70 118.47 1wxb s SER 25 Ca 0.10 0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.63 1wxb s SER 25 Cb -0.11 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 1wxb s SER 25 CO 0.02 -0.04 0.11 0.68 0.41 0.00 0.00 173.24 174.41 1wxb s VAL 26 N 1.44 0.63 0.52 3.43 -7.23 0.44 -4.86 120.40 114.77 1wxb s VAL 26 Ca 0.12 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1wxb s VAL 26 Cb -0.15 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 1wxb s VAL 26 CO 0.07 0.00 0.01 -0.76 -0.31 0.00 0.00 175.10 174.11 1wxb s LEU 27 N -3.41 2.25 0.23 1.32 1.43 -1.26 -0.66 118.68 118.58 1wxb s LEU 27 Ca 0.35 -1.67 -0.25 0.00 -1.03 0.00 0.00 54.13 51.52 1wxb s LEU 27 Cb 0.07 -0.72 -0.09 0.00 0.03 0.00 0.00 46.19 45.48 1wxb s LEU 27 CO 0.15 -0.89 0.84 -0.75 0.23 0.00 0.00 176.35 175.93 1wxb s LYS 28 N -3.90 4.57 0.00 1.70 2.20 -1.26 -3.20 119.74 119.85 1wxb s LYS 28 Ca 0.04 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1wxb s LYS 28 Cb 0.01 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1wxb s LYS 28 CO 0.02 0.46 0.00 -0.25 -0.36 0.00 0.00 175.35 175.22 1wxb n ASP 29 N 1.18 -3.18 -4.90 1.43 8.00 -0.82 -4.96 116.55 113.30 1wxb n ASP 29 Ca -0.03 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.16 1wxb n ASP 29 Cb 0.49 -0.90 -0.05 0.00 -0.02 0.00 0.00 41.12 40.64 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 -0.29 3.57 -0.11 -1.24 2.02 -1.20 -4.86 118.70 116.60 1wxb s GLU 30 Ca 0.00 -0.17 0.03 0.00 0.02 0.00 0.00 54.97 54.85 1wxb s GLU 30 Cb 0.00 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.31 1wxb s GLU 30 CO 0.00 0.52 -0.20 0.08 0.02 0.00 0.00 175.26 175.69 1wxb s VAL 31 N -1.58 1.80 0.53 2.63 1.01 -1.26 0.11 120.40 123.63 1wxb s VAL 31 Ca 0.38 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1wxb s VAL 31 Cb -0.12 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.70 1wxb s VAL 31 CO 0.25 0.50 0.36 -0.76 0.00 0.00 0.00 175.10 175.44 1wxb s LEU 32 N 0.64 2.73 -0.33 3.92 2.01 -0.89 -4.95 118.68 121.81 1wxb s LEU 32 Ca -0.13 -1.24 -0.11 0.00 0.01 0.00 0.00 54.13 52.66 1wxb s LEU 32 Cb -0.16 -1.22 -0.01 0.00 0.01 0.00 0.00 46.19 44.81 1wxb s LEU 32 CO 0.03 -1.03 0.19 -0.70 1.01 0.00 0.00 176.35 175.86 1wxb s GLU 33 N -4.22 3.32 -0.01 1.70 2.12 -1.18 -2.99 118.70 117.44 1wxb s GLU 33 Ca 0.33 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 1wxb s GLU 33 Cb -0.02 -3.67 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 1wxb s GLU 33 CO 0.20 -0.46 0.97 0.54 -0.54 0.00 0.00 175.26 175.96 1wxb s VAL 34 N 1.64 4.87 -0.05 3.70 0.11 -1.25 -1.68 120.40 127.74 1wxb s VAL 34 Ca 0.05 2.03 -0.01 0.00 -2.93 0.00 0.00 61.98 61.12 1wxb s VAL 34 Cb -0.17 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.34 1wxb s VAL 34 CO 0.08 0.15 -0.05 0.18 -3.33 0.00 0.00 175.10 172.13 1wxb n LEU 35 N 3.98 1.69 -4.18 2.54 4.77 -0.94 -4.74 117.00 120.11 1wxb n LEU 35 Ca 0.06 0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.73 1wxb n LEU 35 Cb 0.51 -0.15 -0.16 0.00 -2.33 0.00 0.00 43.42 41.29 1wxb n LEU 35 CO 0.52 0.34 -0.54 -1.61 -1.33 0.00 0.00 177.39 174.77 1wxb s GLU 36 N -2.09 3.04 0.33 3.23 2.02 -1.21 -5.01 118.70 119.02 1wxb s GLU 36 Ca -0.06 -0.84 0.05 0.00 0.02 0.00 0.00 54.97 54.13 1wxb s GLU 36 Cb 0.02 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 1wxb s GLU 36 CO 0.09 -0.02 0.20 0.16 0.02 0.00 0.00 175.26 175.72 1wxb s ASP 37 N 0.83 1.79 -0.16 -0.19 -4.77 -1.26 -2.15 116.67 110.75 1wxb s ASP 37 Ca -0.07 -1.66 0.00 0.00 -3.30 0.00 0.00 52.55 47.52 1wxb s ASP 37 Cb -0.15 0.49 0.00 0.00 -1.09 0.00 0.00 42.92 42.17 1wxb s ASP 37 CO -0.02 -0.97 0.00 0.61 0.70 0.00 0.00 175.17 175.49 1wxb n GLY 38 N -0.65 0.52 3.40 2.12 0.00 -1.26 -5.02 105.19 104.30 1wxb n GLY 38 Ca 0.02 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.42 1.50 0.03 1.61 3.00 -1.26 -5.06 118.95 117.34 1wxb s ARG 39 Ca 0.00 -1.77 -0.07 0.00 0.00 0.00 0.00 55.73 53.89 1wxb s ARG 39 Cb 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 34.95 34.02 1wxb s ARG 39 CO 0.00 -0.05 1.05 1.04 0.00 0.00 0.00 175.30 177.34 1wxb n GLN 40 N -0.55 -0.09 -4.65 3.54 3.00 -1.26 -4.33 117.38 113.04 1wxb n GLN 40 Ca -0.05 1.05 -0.34 0.00 -0.01 0.00 0.00 57.00 57.65 1wxb n GLN 40 Cb 0.64 -1.56 -0.12 0.00 0.00 0.00 0.00 30.24 29.20 1wxb n GLN 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1wxb s TRP 41 N -3.55 2.91 0.54 1.08 0.52 -1.26 -4.34 118.94 114.83 1wxb s TRP 41 Ca -0.03 -0.06 -0.09 0.00 0.02 0.00 0.00 56.10 55.94 1wxb s TRP 41 Cb 0.02 -1.73 -0.04 0.00 -1.15 0.00 0.00 33.47 30.57 1wxb s TRP 41 CO 0.13 0.25 0.91 -1.58 0.02 0.00 0.00 176.95 176.68 1wxb s TRP 42 N -0.64 3.57 -0.37 -1.98 0.52 -0.69 -4.80 118.94 114.55 1wxb s TRP 42 Ca 0.10 1.10 0.01 0.00 0.02 0.00 0.00 56.10 57.32 1wxb s TRP 42 Cb -0.11 -2.54 0.11 0.00 -1.15 0.00 0.00 33.47 29.77 1wxb s TRP 42 CO 0.02 -0.44 0.12 0.21 0.02 0.00 0.00 176.95 176.88 1wxb s LYS 43 N -4.78 1.73 0.38 4.98 2.20 -0.92 -1.76 119.74 121.59 1wxb s LYS 43 Ca 0.52 -1.85 0.05 0.00 -0.36 0.00 0.00 55.97 54.33 1wxb s LYS 43 Cb -0.11 -3.39 -0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1wxb s LYS 43 CO 0.46 -1.00 0.54 -0.51 -0.36 0.00 0.00 175.35 174.48 1wxb s LEU 44 N 1.01 3.81 -0.06 5.43 2.01 -0.87 -2.21 118.68 127.81 1wxb s LEU 44 Ca 0.10 -0.13 0.00 0.00 0.01 0.00 0.00 54.13 54.11 1wxb s LEU 44 Cb -0.21 -2.82 0.02 0.00 0.01 0.00 0.00 46.19 43.19 1wxb s LEU 44 CO -0.06 -0.59 -0.04 -0.60 1.01 0.00 0.00 176.35 176.08 1wxb s ARG 45 N -4.31 0.82 0.91 1.70 3.52 -0.68 -1.81 118.95 119.09 1wxb s ARG 45 Ca 0.48 -0.06 -0.12 0.00 -0.13 0.00 0.00 55.73 55.90 1wxb s ARG 45 Cb -0.10 -0.92 0.14 0.00 -1.56 0.00 0.00 34.95 32.51 1wxb s ARG 45 CO 0.33 -0.15 1.14 -1.54 -0.81 0.00 0.00 175.30 174.27 1wxb s SER 46 N 1.22 3.55 0.00 -2.12 1.04 0.19 -3.10 113.70 114.48 1wxb s SER 46 Ca -0.06 0.97 0.21 0.00 0.48 0.00 0.00 55.95 57.55 1wxb s SER 46 Cb -0.14 -1.56 1.10 0.00 0.10 0.00 0.00 66.02 65.53 1wxb s SER 46 CO -0.02 -2.53 1.67 0.54 0.98 0.00 0.00 173.24 173.89 1wxb n ARG 47 N -3.75 0.36 -0.44 4.02 3.00 -1.26 -2.24 116.66 116.34 1wxb n ARG 47 Ca 0.07 0.07 0.06 0.00 -0.01 0.00 0.00 57.85 58.04 1wxb n ARG 47 Cb 0.59 -1.50 0.24 0.00 0.00 0.00 0.00 32.46 31.79 1wxb n ARG 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wxb n SER 48 N -1.24 3.43 -0.28 0.55 2.88 -1.26 -4.86 113.62 112.85 1wxb n SER 48 Ca 0.11 -2.34 -0.04 0.00 -1.33 0.00 0.00 58.87 55.27 1wxb n SER 48 Cb 0.15 -0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 63.11 1wxb n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wxb n GLY 49 N 0.78 0.60 3.88 0.46 0.00 -0.95 -4.99 105.19 104.97 1wxb n GLY 49 Ca 0.17 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.63 3.75 -0.04 1.61 -1.52 -1.24 -4.90 119.66 115.69 1wxb s GLN 50 Ca 0.00 0.21 -0.02 0.00 -1.95 0.00 0.00 55.36 53.60 1wxb s GLN 50 Cb 0.00 -2.63 0.03 0.00 -0.22 0.00 0.00 33.01 30.19 1wxb s GLN 50 CO 0.00 0.27 0.09 0.00 -0.25 0.00 0.00 175.29 175.40 1wxb s ALA 51 N -1.92 -0.11 0.21 6.09 0.00 -1.26 0.54 121.76 125.31 1wxb s ALA 51 Ca 0.47 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 1wxb s ALA 51 Cb -0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1wxb s ALA 51 CO 0.24 -0.13 0.40 0.20 0.00 0.00 0.00 175.76 176.47 1wxb s GLY 52 N 1.07 0.53 -0.03 0.00 0.00 -0.75 -4.75 107.32 103.38 1wxb s GLY 52 Ca -0.09 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 1wxb s GLY 52 CO -0.04 -0.71 0.17 -0.19 0.00 0.00 0.00 173.10 172.33 1wxb s TYR 53 N -4.00 3.56 0.16 1.90 2.02 -0.94 -2.04 117.35 118.00 1wxb s TYR 53 Ca 0.21 0.39 -0.09 0.00 -0.37 0.00 0.00 57.07 57.21 1wxb s TYR 53 Cb 0.01 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1wxb s TYR 53 CO 0.06 0.66 0.29 0.14 -1.57 0.00 0.00 175.55 175.13 1wxb s VAL 54 N -1.27 0.07 0.27 0.71 -7.23 -0.72 -3.42 120.40 108.80 1wxb s VAL 54 Ca 0.25 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 58.76 1wxb s VAL 54 Cb -0.12 -1.82 -0.09 0.00 0.56 0.00 0.00 36.38 34.90 1wxb s VAL 54 CO 0.16 -0.30 1.08 -2.16 -0.31 0.00 0.00 175.10 173.57 1wxb s PRO 55 N -3.96 4.66 0.00 4.82 0.04 -1.26 -1.70 135.00 137.59 1wxb s PRO 55 Ca 0.17 1.77 0.26 0.00 0.04 0.00 0.00 61.00 63.23 1wxb s PRO 55 Cb 0.03 -3.20 1.31 0.00 0.04 0.00 0.00 34.50 32.68 1wxb s PRO 55 CO -0.00 0.23 1.87 0.00 0.04 0.00 0.00 177.00 179.14 1wxb h ASN 57 N 0.00 0.49 1.33 0.00 4.21 -1.92 -2.66 115.58 117.04 1wxb h ASN 57 Ca 0.00 -0.21 -0.13 0.00 1.21 0.00 0.00 56.30 57.17 1wxb h ASN 57 Cb 0.23 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 1wxb h ASN 57 CO 0.00 0.57 -0.60 0.16 -1.29 0.00 0.00 177.43 176.28 1wxb h ILE 58 N 0.38 1.05 -4.22 2.81 3.07 -1.94 -3.45 117.51 115.21 1wxb h ILE 58 Ca 0.11 -2.41 -0.51 0.00 1.55 0.00 0.00 64.86 63.59 1wxb h ILE 58 Cb 0.26 2.47 0.12 0.00 -0.27 0.00 0.00 36.82 39.41 1wxb h ILE 58 CO -0.00 0.58 0.36 -0.76 -1.05 0.00 0.00 178.15 177.28 1wxb s LEU 59 N -6.57 3.28 0.00 0.16 1.43 -1.00 -1.80 118.68 114.18 1wxb s LEU 59 Ca 0.03 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1wxb s LEU 59 Cb 0.08 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1wxb s LEU 59 CO 0.76 -1.90 0.00 0.61 0.23 0.00 0.00 176.35 176.05 1wxb n GLY 60 N -0.44 5.83 3.07 -3.19 0.00 -1.17 -4.87 105.19 104.42 1wxb n GLY 60 Ca 0.11 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 1wxb n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wxb s GLU 61 N 1.13 2.30 -0.01 1.61 2.02 -1.26 -4.48 118.70 120.01 1wxb s GLU 61 Ca 0.00 -1.31 -0.03 0.00 0.02 0.00 0.00 54.97 53.65 1wxb s GLU 61 Cb 0.00 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1wxb s GLU 61 CO 0.00 -0.54 0.19 0.00 0.02 0.00 0.00 175.26 174.93 1wxb s ALA 62 N 1.11 3.95 1.07 5.21 0.00 -1.23 -4.85 121.76 127.01 1wxb s ALA 62 Ca -0.08 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1wxb s ALA 62 Cb -0.19 -1.90 0.23 0.00 0.00 0.00 0.00 23.12 21.25 1wxb s ALA 62 CO -0.06 0.74 1.06 -1.12 0.00 0.00 0.00 175.76 176.39 1wxb s SER 63 N -1.91 1.92 -0.02 0.00 0.01 -1.26 -4.66 113.70 107.78 1wxb s SER 63 Ca 0.27 1.39 -0.19 0.00 1.31 0.00 0.00 55.95 58.74 1wxb s SER 63 Cb -0.13 -2.11 0.06 0.00 0.21 0.00 0.00 66.02 64.06 1wxb s SER 63 CO 0.18 -3.60 0.85 0.61 0.41 0.00 0.00 173.24 171.70 1wxb n GLY 64 N -0.19 0.34 3.58 3.44 0.00 -1.26 -4.65 105.19 106.45 1wxb n GLY 64 Ca 0.05 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.01 3.22 0.29 1.61 0.04 -1.26 -4.11 135.00 132.78 1wxb s PRO 65 Ca 0.20 -1.44 0.00 0.00 0.04 0.00 0.00 61.00 59.80 1wxb s PRO 65 Cb -0.00 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1wxb s PRO 65 CO -0.01 -3.07 0.00 0.45 0.04 0.00 0.00 177.00 174.42 1wxb n SER 66 N 11.39 -0.58 -4.22 6.66 2.88 -1.26 -3.83 113.62 124.66 1wxb n SER 66 Ca 0.45 0.50 -0.34 0.00 -1.33 0.00 0.00 58.87 58.15 1wxb n SER 66 Cb 0.47 0.75 -0.15 0.00 -0.75 0.00 0.00 64.21 64.52 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 -4.68 3.67 0.00 -3.46 0.01 -1.26 -5.16 113.70 102.82 1wxb s SER 67 Ca 0.00 -0.52 0.11 0.00 1.31 0.00 0.00 55.95 56.85 1wxb s SER 67 Cb 0.00 -1.59 0.09 0.00 0.21 0.00 0.00 66.02 64.73 1wxb s SER 67 CO 0.00 0.01 0.86 0.61 0.41 0.00 0.00 173.24 175.13