#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 -0.27 0.67 1.61 0.01 -1.26 -5.16 113.70 109.30 1wxb s SER 2 Ca 0.00 -0.14 -0.16 0.00 1.31 0.00 0.00 55.95 56.96 1wxb s SER 2 Cb 0.00 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1wxb s SER 2 CO 0.00 -0.67 1.16 -0.44 0.41 0.00 0.00 173.24 173.70 1wxb s SER 3 N -2.65 4.85 0.00 2.44 0.01 -1.26 -5.05 113.70 112.05 1wxb s SER 3 Ca 0.08 2.18 0.00 0.00 1.31 0.00 0.00 55.95 59.53 1wxb s SER 3 Cb -0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wxb s SER 3 CO -0.05 -1.81 0.00 0.61 0.41 0.00 0.00 173.24 172.40 1wxb n GLY 4 N -0.02 1.68 2.88 3.44 0.00 -1.26 -4.95 105.19 106.96 1wxb n GLY 4 Ca 0.12 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.27 1wxb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wxb n SER 5 N 0.00 -5.03 -4.66 1.61 7.64 -1.26 -4.67 113.62 107.25 1wxb n SER 5 Ca 0.00 1.08 -0.58 0.00 1.01 0.00 0.00 58.87 60.38 1wxb n SER 5 Cb 0.00 -3.44 -0.07 0.00 -1.01 0.00 0.00 64.21 59.69 1wxb n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wxb n SER 6 N 1.77 1.71 -3.75 6.43 2.88 -1.26 -4.79 113.62 116.61 1wxb n SER 6 Ca -0.15 1.12 -0.34 0.00 -1.33 0.00 0.00 58.87 58.17 1wxb n SER 6 Cb 0.31 -1.08 0.02 0.00 -0.75 0.00 0.00 64.21 62.70 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 3.42 -3.20 3.89 0.46 0.00 -1.26 -4.95 105.19 103.55 1wxb n GLY 7 Ca 0.24 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.11 3.18 0.25 1.61 2.20 -1.26 -5.12 119.74 119.48 1wxb s LYS 8 Ca 0.47 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 55.24 1wxb s LYS 8 Cb -0.38 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 1wxb s LYS 8 CO 0.63 0.46 0.28 0.71 -0.36 0.00 0.00 175.35 177.06 1wxb s TYR 9 N -1.91 1.09 0.01 4.03 2.02 -1.26 -4.12 117.35 117.22 1wxb s TYR 9 Ca 0.33 -1.29 0.03 0.00 -0.37 0.00 0.00 57.07 55.78 1wxb s TYR 9 Cb -0.09 -0.37 -0.01 0.00 -0.40 0.00 0.00 41.96 41.09 1wxb s TYR 9 CO 0.26 -0.83 -0.11 0.54 -1.57 0.00 0.00 175.55 173.85 1wxb s VAL 10 N -3.84 0.85 -0.23 0.71 0.11 -1.12 -3.81 120.40 113.08 1wxb s VAL 10 Ca 0.35 -0.67 -0.08 0.00 -2.93 0.00 0.00 61.98 58.65 1wxb s VAL 10 Cb 0.04 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 1wxb s VAL 10 CO 0.15 0.08 0.08 -0.75 -3.33 0.00 0.00 175.10 171.33 1wxb s LYS 11 N -0.67 3.78 -0.30 1.54 2.47 -0.20 -2.08 119.74 124.27 1wxb s LYS 11 Ca 0.01 -0.43 -0.29 0.00 -1.56 0.00 0.00 55.97 53.71 1wxb s LYS 11 Cb -0.06 -3.31 -0.00 0.00 -1.46 0.00 0.00 37.83 33.00 1wxb s LYS 11 CO 0.00 -0.04 1.37 0.42 0.16 0.00 0.00 175.35 177.26 1wxb s ILE 12 N 1.24 4.03 0.03 5.43 -1.09 0.21 -2.60 121.20 128.45 1wxb s ILE 12 Ca 0.05 1.15 0.10 0.00 -2.23 0.00 0.00 60.65 59.71 1wxb s ILE 12 Cb -0.14 -4.09 -0.14 0.00 -1.58 0.00 0.00 42.46 36.51 1wxb s ILE 12 CO 0.04 -0.49 1.25 -0.07 -1.23 0.00 0.00 174.94 174.44 1wxb h LEU 13 N 11.22 0.00 -8.18 2.97 3.38 -1.64 0.51 115.31 123.58 1wxb h LEU 13 Ca -0.28 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.28 1wxb h LEU 13 Cb 1.11 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.59 1wxb h LEU 13 CO 1.04 0.86 -0.78 -0.31 0.09 0.00 0.00 178.44 179.34 1wxb s TYR 14 N -2.77 1.00 -0.38 1.13 2.02 -1.26 -4.68 117.35 112.42 1wxb s TYR 14 Ca 0.01 -0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.15 1wxb s TYR 14 Cb 0.09 -0.62 0.00 0.00 -0.40 0.00 0.00 41.96 41.04 1wxb s TYR 14 CO 0.80 -0.00 1.46 -0.51 -1.57 0.00 0.00 175.55 175.73 1wxb s ASP 15 N -0.72 6.32 0.00 2.29 1.11 -1.26 -4.45 116.67 119.96 1wxb s ASP 15 Ca 0.02 0.97 -0.01 0.00 0.18 0.00 0.00 52.55 53.70 1wxb s ASP 15 Cb -0.06 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1wxb s ASP 15 CO 0.00 -1.42 0.14 0.12 1.18 0.00 0.00 175.17 175.20 1wxb s PHE 16 N 5.47 3.44 -0.19 4.23 5.36 0.03 -4.90 117.98 131.41 1wxb s PHE 16 Ca 0.63 0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.90 1wxb s PHE 16 Cb -0.16 -1.78 0.03 0.00 -0.34 0.00 0.00 43.02 40.77 1wxb s PHE 16 CO 0.31 0.60 -0.16 0.99 -1.46 0.00 0.00 175.22 175.50 1wxb s THR 17 N -1.30 1.97 -0.34 0.12 2.01 -1.26 -1.64 115.64 115.20 1wxb s THR 17 Ca 0.27 -1.05 -0.38 0.00 0.31 0.00 0.00 61.69 60.83 1wxb s THR 17 Cb -0.12 -1.88 -0.14 0.00 0.01 0.00 0.00 72.50 70.37 1wxb s THR 17 CO 0.18 0.37 2.03 0.00 -0.69 0.00 0.00 174.62 176.51 1wxb n ALA 18 N 4.61 0.53 0.54 7.40 0.00 -1.25 -4.77 120.51 127.56 1wxb n ALA 18 Ca -0.18 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1wxb n ALA 18 Cb 0.48 -2.37 0.17 0.00 0.00 0.00 0.00 19.45 17.73 1wxb n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wxb n ARG 19 N 7.12 2.41 -3.83 0.00 1.74 -1.26 -4.97 116.66 117.87 1wxb n ARG 19 Ca 0.38 -2.15 -0.12 0.00 -0.77 0.00 0.00 57.85 55.19 1wxb n ARG 19 Cb 0.16 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1wxb n ARG 19 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1wxb n ASN 20 N 1.42 -1.77 0.09 0.55 3.02 -1.26 -5.04 115.26 112.26 1wxb n ASN 20 Ca 0.17 -2.72 -0.11 0.00 -0.03 0.00 0.00 54.58 51.89 1wxb n ASN 20 Cb 0.60 3.09 -0.07 0.00 -0.61 0.00 0.00 39.78 42.79 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 2.02 0.34 -0.49 5.41 0.00 -2.01 -3.21 119.26 121.31 1wxb h ALA 21 Ca -0.30 -0.79 -0.38 0.00 0.00 0.00 0.00 54.91 53.44 1wxb h ALA 21 Cb 1.19 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 1wxb h ALA 21 CO 0.39 0.96 0.40 0.09 0.00 0.00 0.00 179.25 181.09 1wxb n ASN 22 N -3.59 6.47 -3.79 0.00 3.02 -1.26 -4.83 115.26 111.28 1wxb n ASN 22 Ca -0.05 -3.11 -0.13 0.00 -0.03 0.00 0.00 54.58 51.26 1wxb n ASN 22 Cb 0.90 -1.12 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 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 -1.77 0.43 0.05 3.52 2.02 -1.22 -2.50 118.70 119.24 1wxb s GLU 23 Ca 0.41 0.10 0.02 0.00 0.02 0.00 0.00 54.97 55.53 1wxb s GLU 23 Cb 0.29 0.20 -0.04 0.00 0.10 0.00 0.00 34.13 34.68 1wxb s GLU 23 CO -0.07 -0.09 0.06 -1.17 0.02 0.00 0.00 175.26 174.02 1wxb s LEU 24 N -0.47 3.76 -0.25 1.80 2.96 -1.23 -4.60 118.68 120.64 1wxb s LEU 24 Ca -0.06 0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.77 1wxb s LEU 24 Cb -0.04 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1wxb s LEU 24 CO 0.02 0.21 0.13 -0.94 -1.32 0.00 0.00 176.35 174.44 1wxb s SER 25 N -2.15 5.77 0.12 3.68 1.04 -1.26 -3.86 113.70 117.03 1wxb s SER 25 Ca 0.26 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.70 1wxb s SER 25 Cb -0.12 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 1wxb s SER 25 CO 0.19 0.02 -0.04 0.68 0.98 0.00 0.00 173.24 175.06 1wxb s VAL 26 N 1.30 0.66 0.55 5.02 -7.23 -0.66 -4.94 120.40 115.10 1wxb s VAL 26 Ca 0.06 -1.94 0.06 0.00 -1.81 0.00 0.00 61.98 58.35 1wxb s VAL 26 Cb -0.14 -1.80 0.04 0.00 0.56 0.00 0.00 36.38 35.04 1wxb s VAL 26 CO 0.06 -0.77 0.44 -0.76 -0.31 0.00 0.00 175.10 173.76 1wxb s LEU 27 N -3.07 2.72 0.15 1.32 2.01 -1.26 -0.79 118.68 119.76 1wxb s LEU 27 Ca 0.15 -1.22 -0.26 0.00 0.01 0.00 0.00 54.13 52.81 1wxb s LEU 27 Cb 0.06 -1.22 -0.08 0.00 0.01 0.00 0.00 46.19 44.96 1wxb s LEU 27 CO -0.03 -1.13 0.81 -0.75 1.01 0.00 0.00 176.35 176.26 1wxb s LYS 28 N -4.32 4.60 -0.32 1.70 2.20 -1.26 -3.38 119.74 118.96 1wxb s LYS 28 Ca 0.36 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 1wxb s LYS 28 Cb -0.03 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1wxb s LYS 28 CO 0.22 0.50 0.00 -3.47 -0.36 0.00 0.00 175.35 172.25 1wxb n ASP 29 N 1.83 -3.08 -4.85 1.43 -0.08 0.17 -4.95 116.55 107.01 1wxb n ASP 29 Ca -0.04 0.06 -0.26 0.00 -1.51 0.00 0.00 54.79 53.04 1wxb n ASP 29 Cb 0.49 -1.15 -0.04 0.00 2.34 0.00 0.00 41.12 42.75 1wxb n ASP 29 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1wxb s GLU 30 N -2.61 3.10 -0.22 -0.67 2.02 -1.22 -4.90 118.70 114.20 1wxb s GLU 30 Ca 0.00 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.21 1wxb s GLU 30 Cb 0.00 -2.75 0.05 0.00 0.10 0.00 0.00 34.13 31.53 1wxb s GLU 30 CO 0.00 0.49 -0.06 0.08 0.02 0.00 0.00 175.26 175.79 1wxb s VAL 31 N -1.78 1.48 0.44 2.63 1.01 -1.26 0.67 120.40 123.59 1wxb s VAL 31 Ca 0.32 -1.10 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1wxb s VAL 31 Cb -0.10 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1wxb s VAL 31 CO 0.25 -0.03 0.58 -0.76 0.00 0.00 0.00 175.10 175.15 1wxb s LEU 32 N 1.43 3.54 -0.36 3.92 2.01 -0.88 -4.93 118.68 123.41 1wxb s LEU 32 Ca -0.04 -0.52 -0.16 0.00 0.01 0.00 0.00 54.13 53.41 1wxb s LEU 32 Cb -0.18 -2.44 -0.00 0.00 0.01 0.00 0.00 46.19 43.58 1wxb s LEU 32 CO -0.07 -0.84 0.41 -0.70 1.01 0.00 0.00 176.35 176.16 1wxb s GLU 33 N -4.38 3.47 0.13 1.70 2.12 -0.95 -2.79 118.70 118.01 1wxb s GLU 33 Ca 0.55 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 55.13 1wxb s GLU 33 Cb -0.09 -3.84 -0.07 0.00 0.26 0.00 0.00 34.13 30.39 1wxb s GLU 33 CO 0.33 -0.62 1.16 0.54 -0.54 0.00 0.00 175.26 176.13 1wxb s VAL 34 N 2.11 3.89 -0.06 3.70 0.11 -1.26 -0.73 120.40 128.16 1wxb s VAL 34 Ca 0.13 1.50 -0.03 0.00 -2.93 0.00 0.00 61.98 60.65 1wxb s VAL 34 Cb -0.16 -3.96 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 1wxb s VAL 34 CO 0.12 0.20 -0.08 0.18 -3.33 0.00 0.00 175.10 172.19 1wxb n LEU 35 N 3.01 0.44 -4.23 2.54 4.77 0.49 -4.92 117.00 119.10 1wxb n LEU 35 Ca 0.05 0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.78 1wxb n LEU 35 Cb 0.46 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.21 1wxb n LEU 35 CO 0.55 0.11 -0.50 -1.61 -1.33 0.00 0.00 177.39 174.60 1wxb s GLU 36 N -2.11 3.15 0.34 3.23 0.41 -1.15 -4.95 118.70 117.61 1wxb s GLU 36 Ca -0.08 -0.79 0.03 0.00 -0.41 0.00 0.00 54.97 53.72 1wxb s GLU 36 Cb 0.03 -2.55 -0.04 0.00 -1.78 0.00 0.00 34.13 29.79 1wxb s GLU 36 CO 0.11 0.01 0.13 0.16 -0.49 0.00 0.00 175.26 175.18 1wxb s ASP 37 N 0.80 2.03 -0.26 -0.19 -4.77 -1.26 -1.91 116.67 111.11 1wxb s ASP 37 Ca -0.06 -1.56 0.00 0.00 -3.30 0.00 0.00 52.55 47.63 1wxb s ASP 37 Cb -0.15 0.35 0.00 0.00 -1.09 0.00 0.00 42.92 42.02 1wxb s ASP 37 CO -0.00 -0.86 0.00 0.61 0.70 0.00 0.00 175.17 175.62 1wxb n GLY 38 N -0.69 0.57 3.40 2.12 0.00 -1.26 -5.01 105.19 104.32 1wxb n GLY 38 Ca -0.02 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.44 1.50 0.01 1.61 0.52 -1.26 -5.07 118.95 114.81 1wxb s ARG 39 Ca 0.00 -1.78 -0.01 0.00 -0.52 0.00 0.00 55.73 53.42 1wxb s ARG 39 Cb 0.00 -0.91 -0.00 0.00 0.52 0.00 0.00 34.95 34.55 1wxb s ARG 39 CO 0.00 -0.06 0.95 1.04 0.02 0.00 0.00 175.30 177.25 1wxb n GLN 40 N -0.55 -0.01 -4.61 3.54 6.02 -1.26 -4.32 117.38 116.19 1wxb n GLN 40 Ca -0.05 0.95 -0.34 0.00 -0.01 0.00 0.00 57.00 57.55 1wxb n GLN 40 Cb 0.64 -1.42 -0.12 0.00 1.02 0.00 0.00 30.24 30.37 1wxb n GLN 40 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1wxb s TRP 41 N -3.08 2.93 0.50 1.08 0.52 -1.26 -4.19 118.94 115.43 1wxb s TRP 41 Ca -0.00 -0.14 -0.11 0.00 0.02 0.00 0.00 56.10 55.87 1wxb s TRP 41 Cb 0.00 -1.78 -0.06 0.00 -1.15 0.00 0.00 33.47 30.49 1wxb s TRP 41 CO 0.02 0.18 0.89 -1.58 0.02 0.00 0.00 176.95 176.48 1wxb s TRP 42 N -0.41 3.53 -0.43 -1.98 0.52 -0.95 -4.79 118.94 114.44 1wxb s TRP 42 Ca 0.06 1.16 -0.04 0.00 0.02 0.00 0.00 56.10 57.29 1wxb s TRP 42 Cb -0.12 -2.56 0.11 0.00 -1.15 0.00 0.00 33.47 29.75 1wxb s TRP 42 CO 0.02 -0.35 0.25 0.21 0.02 0.00 0.00 176.95 177.10 1wxb s LYS 43 N -4.43 2.13 0.48 4.98 2.20 -0.80 -1.99 119.74 122.31 1wxb s LYS 43 Ca 0.53 -1.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.33 1wxb s LYS 43 Cb -0.10 -3.67 0.01 0.00 -1.51 0.00 0.00 37.83 32.55 1wxb s LYS 43 CO 0.40 -1.11 0.69 -0.51 -0.36 0.00 0.00 175.35 174.46 1wxb s LEU 44 N 1.17 3.53 -0.09 5.43 2.01 -0.94 -0.38 118.68 129.40 1wxb s LEU 44 Ca 0.08 0.09 -0.05 0.00 0.01 0.00 0.00 54.13 54.25 1wxb s LEU 44 Cb -0.24 -2.98 0.04 0.00 0.01 0.00 0.00 46.19 43.02 1wxb s LEU 44 CO -0.03 -0.86 0.21 -0.60 1.01 0.00 0.00 176.35 176.08 1wxb s ARG 45 N -4.59 0.19 0.60 1.70 3.52 0.09 -2.33 118.95 118.12 1wxb s ARG 45 Ca 0.52 0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 56.54 1wxb s ARG 45 Cb -0.10 -0.06 0.05 0.00 -1.56 0.00 0.00 34.95 33.28 1wxb s ARG 45 CO 0.37 -0.12 0.85 0.45 -0.81 0.00 0.00 175.30 176.04 1wxb s SER 46 N 0.88 5.11 0.02 -2.12 0.15 -0.17 -2.24 113.70 115.32 1wxb s SER 46 Ca -0.06 0.08 0.14 0.00 0.70 0.00 0.00 55.95 56.81 1wxb s SER 46 Cb -0.08 -0.88 0.62 0.00 -1.71 0.00 0.00 66.02 63.97 1wxb s SER 46 CO -0.05 -1.30 1.46 -2.11 1.20 0.00 0.00 173.24 172.44 1wxb n ARG 47 N -2.51 0.01 0.00 5.44 0.00 -1.26 -1.67 116.66 116.67 1wxb n ARG 47 Ca 0.08 0.27 0.13 0.00 -0.00 0.00 0.00 57.85 58.33 1wxb n ARG 47 Cb 0.60 -1.52 0.77 0.00 -0.00 0.00 0.00 32.46 32.30 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 -1.54 0.00 -0.14 2.89 2.88 -1.26 -4.84 113.62 111.61 1wxb n SER 48 Ca 0.03 -1.19 -0.02 0.00 -1.33 0.00 0.00 58.87 56.37 1wxb n SER 48 Cb 0.17 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.90 0.54 3.88 0.46 0.00 -0.67 -5.02 105.19 105.27 1wxb n GLY 49 Ca 0.19 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.70 3.70 -0.03 1.61 -1.52 -1.24 -4.93 119.66 115.55 1wxb s GLN 50 Ca 0.00 0.08 -0.01 0.00 -1.95 0.00 0.00 55.36 53.49 1wxb s GLN 50 Cb 0.00 -2.98 0.03 0.00 -0.22 0.00 0.00 33.01 29.84 1wxb s GLN 50 CO 0.00 0.56 0.05 0.00 -0.25 0.00 0.00 175.29 175.65 1wxb s ALA 51 N -1.43 0.04 0.22 6.09 0.00 -1.26 -1.00 121.76 124.41 1wxb s ALA 51 Ca 0.34 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 1wxb s ALA 51 Cb -0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 1wxb s ALA 51 CO 0.19 -0.15 0.41 0.20 0.00 0.00 0.00 175.76 176.40 1wxb s GLY 52 N 1.20 0.52 -0.12 0.00 0.00 -0.98 -4.78 107.32 103.16 1wxb s GLY 52 Ca -0.08 -0.87 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 1wxb s GLY 52 CO -0.03 -0.70 0.10 -0.19 0.00 0.00 0.00 173.10 172.28 1wxb s TYR 53 N -4.00 3.45 0.15 1.90 2.02 -1.04 -2.22 117.35 117.60 1wxb s TYR 53 Ca 0.21 0.40 0.00 0.00 -0.37 0.00 0.00 57.07 57.31 1wxb s TYR 53 Cb 0.01 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1wxb s TYR 53 CO 0.06 0.61 0.03 0.14 -1.57 0.00 0.00 175.55 174.82 1wxb s VAL 54 N -0.86 0.37 0.43 0.71 -7.23 -0.84 -3.58 120.40 109.41 1wxb s VAL 54 Ca 0.14 -1.94 -0.22 0.00 -1.81 0.00 0.00 61.98 58.14 1wxb s VAL 54 Cb -0.12 -2.07 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 1wxb s VAL 54 CO 0.03 -0.48 1.05 -2.16 -0.31 0.00 0.00 175.10 173.23 1wxb s PRO 55 N -3.98 4.01 0.00 4.82 0.04 -1.26 -2.24 135.00 136.39 1wxb s PRO 55 Ca 0.24 1.46 0.16 0.00 0.04 0.00 0.00 61.00 62.89 1wxb s PRO 55 Cb 0.07 -2.36 0.68 0.00 0.04 0.00 0.00 34.50 32.92 1wxb s PRO 55 CO 0.03 -0.26 1.47 0.00 0.04 0.00 0.00 177.00 178.28 1wxb h ASN 57 N 1.32 0.00 0.00 0.00 4.21 -1.92 -3.23 115.58 115.96 1wxb h ASN 57 Ca 0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1wxb h ASN 57 Cb 0.29 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1wxb h ASN 57 CO 0.00 0.55 -1.95 2.30 -1.29 0.00 0.00 177.43 177.04 1wxb n ILE 58 N -3.33 0.27 -0.94 2.81 -5.35 -1.21 -4.98 119.36 106.64 1wxb n ILE 58 Ca 0.01 -0.51 -0.30 0.00 -0.27 0.00 0.00 62.75 61.68 1wxb n ILE 58 Cb 0.71 -0.07 0.16 0.00 -1.74 0.00 0.00 39.64 38.70 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 -4.55 2.33 -0.04 7.28 1.43 -1.22 -1.71 118.68 122.20 1wxb s LEU 59 Ca -0.07 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 54.50 1wxb s LEU 59 Cb 0.11 -4.14 0.11 0.00 0.03 0.00 0.00 46.19 42.29 1wxb s LEU 59 CO 0.78 -2.96 0.96 -0.83 0.23 0.00 0.00 176.35 174.53 1wxb s GLY 60 N -3.02 -0.42 0.22 -3.19 0.00 -1.07 -4.79 107.32 95.05 1wxb s GLY 60 Ca 0.65 1.11 -0.31 0.00 0.00 0.00 0.00 44.72 46.17 1wxb s GLY 60 CO 0.58 0.36 1.52 1.85 0.00 0.00 0.00 173.10 177.42 1wxb s GLU 61 N -2.97 4.23 -0.21 2.90 -6.30 -1.26 -1.03 118.70 114.06 1wxb s GLU 61 Ca 0.06 2.36 -0.18 0.00 -2.50 0.00 0.00 54.97 54.72 1wxb s GLU 61 Cb -0.01 -3.12 -0.03 0.00 0.00 0.00 0.00 34.13 30.97 1wxb s GLU 61 CO -0.08 -0.53 0.48 0.00 0.02 0.00 0.00 175.26 175.15 1wxb s ALA 62 N 0.52 3.55 -0.41 6.30 0.00 -1.25 -4.49 121.76 125.98 1wxb s ALA 62 Ca 0.65 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.18 1wxb s ALA 62 Cb -0.43 -2.77 0.17 0.00 0.00 0.00 0.00 23.12 20.09 1wxb s ALA 62 CO 0.38 -0.43 0.38 0.45 0.00 0.00 0.00 175.76 176.54 1wxb s SER 63 N 1.17 1.21 0.65 0.00 0.15 -1.26 -4.90 113.70 110.71 1wxb s SER 63 Ca 0.22 -2.67 -0.11 0.00 0.70 0.00 0.00 55.95 54.09 1wxb s SER 63 Cb -0.15 -0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1wxb s SER 63 CO 0.09 -0.18 1.05 -0.83 1.20 0.00 0.00 173.24 174.58 1wxb s GLY 64 N 0.40 1.64 0.01 9.45 0.00 -1.26 -5.01 107.32 112.55 1wxb s GLY 64 Ca 0.29 -0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.50 1wxb s GLY 64 CO -0.14 0.10 1.19 2.56 0.00 0.00 0.00 173.10 176.81 1wxb s PRO 65 N -5.25 4.40 0.56 2.90 0.04 -1.26 -4.80 135.00 131.59 1wxb s PRO 65 Ca 0.56 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1wxb s PRO 65 Cb -0.11 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1wxb s PRO 65 CO 0.53 -0.33 0.00 0.45 0.04 0.00 0.00 177.00 177.69 1wxb n SER 66 N 4.51 -8.13 -2.31 6.66 2.88 -1.26 -5.00 113.62 110.97 1wxb n SER 66 Ca 0.10 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 1wxb n SER 66 Cb 0.47 -4.86 0.00 0.00 -0.75 0.00 0.00 64.21 59.07 1wxb n SER 66 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wxb n SER 67 N -4.36 -9.27 0.00 -3.46 2.88 -1.26 -5.17 113.62 92.98 1wxb n SER 67 Ca -0.07 1.79 0.00 0.00 -1.33 0.00 0.00 58.87 59.26 1wxb n SER 67 Cb 0.68 -5.14 0.00 0.00 -0.75 0.00 0.00 64.21 59.01 1wxb n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42