#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 6.62 -0.32 1.61 0.15 -1.26 -5.04 113.70 115.46 1wxb s SER 2 Ca 0.00 0.73 -0.05 0.00 0.70 0.00 0.00 55.95 57.34 1wxb s SER 2 Cb 0.00 -2.19 0.19 0.00 -1.71 0.00 0.00 66.02 62.31 1wxb s SER 2 CO 0.00 0.30 0.90 -0.94 1.20 0.00 0.00 173.24 174.70 1wxb s SER 3 N -0.73 -0.80 0.00 5.45 1.04 -1.26 -5.11 113.70 112.29 1wxb s SER 3 Ca 0.20 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1wxb s SER 3 Cb -0.15 1.32 0.00 0.00 0.10 0.00 0.00 66.02 67.29 1wxb s SER 3 CO 0.09 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1wxb n GLY 4 N 4.75 2.37 3.55 7.32 0.00 -1.26 -5.18 105.19 116.73 1wxb n GLY 4 Ca 0.08 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -0.67 -0.46 1.61 1.04 -1.26 -5.02 113.70 108.95 1wxb s SER 5 Ca 0.00 1.10 -0.06 0.00 0.48 0.00 0.00 55.95 57.47 1wxb s SER 5 Cb 0.00 1.07 0.01 0.00 0.10 0.00 0.00 66.02 67.20 1wxb s SER 5 CO 0.00 -0.36 0.50 -0.24 0.98 0.00 0.00 173.24 174.12 1wxb n SER 6 N 2.09 -6.55 -3.99 7.02 2.88 -1.26 -5.02 113.62 108.80 1wxb n SER 6 Ca -0.16 0.17 -0.31 0.00 -1.33 0.00 0.00 58.87 57.24 1wxb n SER 6 Cb 0.56 -4.37 -0.15 0.00 -0.75 0.00 0.00 64.21 59.50 1wxb n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wxb s GLY 7 N -2.52 1.80 0.25 0.46 0.00 -1.26 -5.10 107.32 100.95 1wxb s GLY 7 Ca 0.09 -2.33 0.12 0.00 0.00 0.00 0.00 44.72 42.60 1wxb s GLY 7 CO 0.59 0.98 -0.21 -1.59 0.00 0.00 0.00 173.10 172.87 1wxb s LYS 8 N 1.01 1.65 0.13 2.90 0.00 -1.26 -4.99 119.74 119.19 1wxb s LYS 8 Ca 0.08 -1.69 0.01 0.00 0.00 0.00 0.00 55.97 54.38 1wxb s LYS 8 Cb -0.19 -1.80 -0.04 0.00 0.00 0.00 0.00 37.83 35.80 1wxb s LYS 8 CO -0.10 0.35 -0.02 0.71 0.00 0.00 0.00 175.35 176.29 1wxb s TYR 9 N -2.26 1.02 -0.04 1.78 1.51 -1.26 -3.74 117.35 114.35 1wxb s TYR 9 Ca 0.27 -1.00 0.07 0.00 -1.01 0.00 0.00 57.07 55.40 1wxb s TYR 9 Cb -0.06 -0.58 -0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1wxb s TYR 9 CO 0.14 -0.22 -0.24 0.54 -1.11 0.00 0.00 175.55 174.66 1wxb s VAL 10 N -3.69 1.93 -0.46 0.71 0.11 -1.10 -3.39 120.40 114.51 1wxb s VAL 10 Ca 0.18 -1.02 -0.12 0.00 -2.93 0.00 0.00 61.98 58.09 1wxb s VAL 10 Cb 0.06 -1.62 0.09 0.00 -1.53 0.00 0.00 36.38 33.37 1wxb s VAL 10 CO -0.00 0.54 0.34 -0.75 -3.33 0.00 0.00 175.10 171.90 1wxb s LYS 11 N -0.32 2.77 0.53 1.54 2.20 -1.19 -1.79 119.74 123.47 1wxb s LYS 11 Ca 0.02 -1.48 -0.19 0.00 -0.36 0.00 0.00 55.97 53.96 1wxb s LYS 11 Cb -0.12 -3.98 -0.11 0.00 -1.51 0.00 0.00 37.83 32.12 1wxb s LYS 11 CO 0.01 -1.05 0.38 -0.89 -0.36 0.00 0.00 175.35 173.45 1wxb n ILE 12 N 5.05 1.67 -0.04 5.43 2.08 0.37 -4.08 119.36 129.84 1wxb n ILE 12 Ca -0.11 -0.50 -0.05 0.00 0.56 0.00 0.00 62.75 62.65 1wxb n ILE 12 Cb 0.43 -0.51 -0.05 0.00 -0.75 0.00 0.00 39.64 38.76 1wxb n ILE 12 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1wxb n LEU 13 N 1.07 1.77 -4.12 1.39 4.77 -0.71 -3.18 117.00 117.98 1wxb n LEU 13 Ca 0.11 -0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 1wxb n LEU 13 Cb 0.46 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.30 1wxb n LEU 13 CO 0.52 0.45 -0.47 -0.31 -1.33 0.00 0.00 177.39 176.25 1wxb s TYR 14 N -2.17 1.23 -0.39 -1.77 2.02 -1.26 -4.58 117.35 110.43 1wxb s TYR 14 Ca -0.08 -0.28 -0.28 0.00 -0.37 0.00 0.00 57.07 56.06 1wxb s TYR 14 Cb 0.03 -0.77 -0.00 0.00 -0.40 0.00 0.00 41.96 40.82 1wxb s TYR 14 CO 0.23 0.00 1.58 -0.51 -1.57 0.00 0.00 175.55 175.28 1wxb s ASP 15 N -0.63 6.11 0.04 2.29 1.11 -1.26 -4.43 116.67 119.90 1wxb s ASP 15 Ca 0.04 0.98 0.00 0.00 0.18 0.00 0.00 52.55 53.75 1wxb s ASP 15 Cb -0.06 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1wxb s ASP 15 CO 0.00 -1.59 0.12 0.12 1.18 0.00 0.00 175.17 175.00 1wxb s PHE 16 N 6.16 3.34 -0.41 4.23 5.36 0.29 -4.89 117.98 132.06 1wxb s PHE 16 Ca 0.68 0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.84 1wxb s PHE 16 Cb -0.17 -1.72 0.11 0.00 -0.34 0.00 0.00 43.02 40.91 1wxb s PHE 16 CO 0.32 0.56 0.18 0.99 -1.46 0.00 0.00 175.22 175.82 1wxb s THR 17 N -1.34 3.06 -0.50 0.12 2.01 -1.26 -1.80 115.64 115.93 1wxb s THR 17 Ca 0.28 -2.22 -0.46 0.00 0.31 0.00 0.00 61.69 59.60 1wxb s THR 17 Cb -0.12 -3.12 -0.20 0.00 0.01 0.00 0.00 72.50 69.07 1wxb s THR 17 CO 0.20 -0.69 1.70 0.00 -0.69 0.00 0.00 174.62 175.14 1wxb n ALA 18 N 4.40 -1.07 0.12 7.40 0.00 -1.24 -4.79 120.51 125.34 1wxb n ALA 18 Ca 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.86 1wxb n ALA 18 Cb 0.41 -1.95 0.11 0.00 0.00 0.00 0.00 19.45 18.02 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 5.73 0.02 0.00 0.00 3.08 -1.90 -3.47 114.38 117.85 1wxb h ARG 19 Ca -0.38 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.45 1wxb h ARG 19 Cb 1.38 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.38 1wxb h ARG 19 CO 1.00 0.71 -0.17 0.09 -1.07 0.00 0.00 179.97 180.53 1wxb n ASN 20 N -3.72 -0.52 -0.02 7.04 3.02 -1.26 -5.04 115.26 114.76 1wxb n ASN 20 Ca -0.01 -2.08 -0.12 0.00 -0.03 0.00 0.00 54.58 52.34 1wxb n ASN 20 Cb 0.68 1.08 -0.08 0.00 -0.61 0.00 0.00 39.78 40.85 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 1.64 0.09 -0.58 5.41 0.00 -1.99 -2.33 119.26 121.50 1wxb h ALA 21 Ca -0.13 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.75 1wxb h ALA 21 Cb 0.63 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1wxb h ALA 21 CO 0.19 -0.20 0.74 -2.95 0.00 0.00 0.00 179.25 177.02 1wxb h ASN 22 N -0.19 0.00 -2.08 0.00 7.08 -1.95 -3.40 115.58 115.04 1wxb h ASN 22 Ca 0.02 0.00 -0.44 0.00 -3.08 0.00 0.00 56.30 52.79 1wxb h ASN 22 Cb 0.39 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.64 1wxb h ASN 22 CO 0.01 0.00 -0.27 -1.61 -2.08 0.00 0.00 177.43 173.48 1wxb s GLU 23 N -4.48 3.10 0.02 4.14 2.02 -0.88 0.19 118.70 122.81 1wxb s GLU 23 Ca -0.03 -0.86 0.06 0.00 0.02 0.00 0.00 54.97 54.16 1wxb s GLU 23 Cb 0.14 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.60 1wxb s GLU 23 CO 0.47 -0.04 -0.19 -1.17 0.02 0.00 0.00 175.26 174.35 1wxb s LEU 24 N -4.29 2.10 -0.26 1.80 2.96 -1.14 -4.54 118.68 115.32 1wxb s LEU 24 Ca 0.46 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.79 1wxb s LEU 24 Cb -0.10 -0.95 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 1wxb s LEU 24 CO 0.33 0.19 0.36 -0.44 -1.32 0.00 0.00 176.35 175.47 1wxb s SER 25 N -0.82 6.26 0.03 3.68 0.01 -1.26 -3.66 113.70 117.93 1wxb s SER 25 Ca 0.07 0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.65 1wxb s SER 25 Cb -0.08 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 1wxb s SER 25 CO 0.01 -0.16 -0.10 0.68 0.41 0.00 0.00 173.24 174.07 1wxb s VAL 26 N 1.97 0.74 0.68 3.43 -7.23 -0.75 -4.90 120.40 114.34 1wxb s VAL 26 Ca 0.15 -0.90 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 1wxb s VAL 26 Cb -0.16 -0.72 0.12 0.00 0.56 0.00 0.00 36.38 36.18 1wxb s VAL 26 CO 0.10 -0.15 0.93 -0.76 -0.31 0.00 0.00 175.10 174.91 1wxb s LEU 27 N -1.16 2.99 0.10 1.32 1.02 -1.26 0.11 118.68 121.79 1wxb s LEU 27 Ca -0.03 -0.63 -0.27 0.00 0.02 0.00 0.00 54.13 53.22 1wxb s LEU 27 Cb -0.08 -1.70 -0.06 0.00 0.02 0.00 0.00 46.19 44.37 1wxb s LEU 27 CO 0.01 -1.72 0.83 -0.75 0.02 0.00 0.00 176.35 174.73 1wxb s LYS 28 N -4.98 4.59 0.00 1.70 2.20 -1.26 -3.34 119.74 118.66 1wxb s LYS 28 Ca 0.65 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 1wxb s LYS 28 Cb -0.05 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1wxb s LYS 28 CO 0.43 0.35 0.00 -3.47 -0.36 0.00 0.00 175.35 172.30 1wxb n ASP 29 N 2.42 -2.55 -4.96 1.43 -0.08 -1.19 -4.94 116.55 106.69 1wxb n ASP 29 Ca -0.02 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.04 1wxb n ASP 29 Cb 0.49 -0.48 -0.02 0.00 2.34 0.00 0.00 41.12 43.46 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 -2.25 3.46 -0.12 -0.67 2.02 -1.21 -4.88 118.70 115.05 1wxb s GLU 30 Ca 0.00 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.39 1wxb s GLU 30 Cb 0.00 -2.81 0.03 0.00 0.10 0.00 0.00 34.13 31.45 1wxb s GLU 30 CO 0.00 0.33 -0.04 0.08 0.02 0.00 0.00 175.26 175.65 1wxb s VAL 31 N -2.09 0.85 0.45 2.63 1.01 -1.26 0.14 120.40 122.13 1wxb s VAL 31 Ca 0.36 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1wxb s VAL 31 Cb -0.09 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1wxb s VAL 31 CO 0.31 0.23 0.37 -0.76 0.00 0.00 0.00 175.10 175.26 1wxb s LEU 32 N 1.77 3.16 -0.41 3.92 2.01 -0.74 -4.96 118.68 123.43 1wxb s LEU 32 Ca 0.03 -0.93 -0.14 0.00 0.01 0.00 0.00 54.13 53.11 1wxb s LEU 32 Cb -0.14 -1.72 0.03 0.00 0.01 0.00 0.00 46.19 44.37 1wxb s LEU 32 CO -0.07 -0.78 0.29 -0.70 1.01 0.00 0.00 176.35 176.11 1wxb s GLU 33 N -4.15 2.93 0.16 1.70 2.12 -1.18 -2.70 118.70 117.58 1wxb s GLU 33 Ca 0.44 -1.10 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 1wxb s GLU 33 Cb -0.02 -3.95 -0.08 0.00 0.26 0.00 0.00 34.13 30.34 1wxb s GLU 33 CO 0.26 -0.79 1.29 0.54 -0.54 0.00 0.00 175.26 176.01 1wxb s VAL 34 N 1.64 3.40 -0.01 3.70 0.11 -1.25 -1.93 120.40 126.06 1wxb s VAL 34 Ca 0.04 1.11 -0.00 0.00 -2.93 0.00 0.00 61.98 60.19 1wxb s VAL 34 Cb -0.20 -3.71 -0.01 0.00 -1.53 0.00 0.00 36.38 30.94 1wxb s VAL 34 CO 0.09 0.14 -0.01 0.18 -3.33 0.00 0.00 175.10 172.16 1wxb n LEU 35 N 3.03 1.07 -4.09 2.54 4.77 -0.82 -4.81 117.00 118.70 1wxb n LEU 35 Ca 0.07 0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 1wxb n LEU 35 Cb 0.43 -0.03 -0.17 0.00 -2.33 0.00 0.00 43.42 41.32 1wxb n LEU 35 CO 0.57 0.19 -0.51 -1.61 -1.33 0.00 0.00 177.39 174.70 1wxb s GLU 36 N -2.02 2.51 0.36 3.23 0.41 -1.20 -5.00 118.70 116.99 1wxb s GLU 36 Ca -0.02 -0.66 0.04 0.00 -0.41 0.00 0.00 54.97 53.92 1wxb s GLU 36 Cb 0.01 -2.13 -0.03 0.00 -1.78 0.00 0.00 34.13 30.20 1wxb s GLU 36 CO 0.02 -0.09 0.16 0.16 -0.49 0.00 0.00 175.26 175.02 1wxb s ASP 37 N 1.05 2.16 0.00 -0.19 -4.77 -1.26 -1.92 116.67 111.74 1wxb s ASP 37 Ca -0.04 -1.63 0.00 0.00 -3.30 0.00 0.00 52.55 47.58 1wxb s ASP 37 Cb -0.15 0.44 0.00 0.00 -1.09 0.00 0.00 42.92 42.12 1wxb s ASP 37 CO -0.04 -0.92 0.00 0.61 0.70 0.00 0.00 175.17 175.52 1wxb n GLY 38 N -0.74 0.50 3.40 2.12 0.00 -1.26 -5.03 105.19 104.18 1wxb n GLY 38 Ca -0.01 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.91 1.49 0.10 1.61 0.52 -1.26 -5.06 118.95 115.43 1wxb s ARG 39 Ca 0.00 -1.76 -0.19 0.00 -0.52 0.00 0.00 55.73 53.26 1wxb s ARG 39 Cb 0.00 -0.95 -0.04 0.00 0.52 0.00 0.00 34.95 34.48 1wxb s ARG 39 CO 0.00 -0.03 1.29 1.04 0.02 0.00 0.00 175.30 177.62 1wxb n GLN 40 N -0.54 -0.26 -4.79 3.54 6.02 -1.26 -4.30 117.38 115.78 1wxb n GLN 40 Ca -0.05 1.27 -0.33 0.00 -0.01 0.00 0.00 57.00 57.88 1wxb n GLN 40 Cb 0.64 -1.88 -0.13 0.00 1.02 0.00 0.00 30.24 29.89 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 -4.54 2.79 0.46 1.08 0.52 -1.26 -4.22 118.94 113.77 1wxb s TRP 41 Ca -0.07 -0.19 -0.11 0.00 0.02 0.00 0.00 56.10 55.75 1wxb s TRP 41 Cb 0.07 -1.69 -0.06 0.00 -1.15 0.00 0.00 33.47 30.63 1wxb s TRP 41 CO 0.37 0.16 0.84 -1.58 0.02 0.00 0.00 176.95 176.76 1wxb s TRP 42 N -0.55 3.50 -0.42 -1.98 0.52 -0.84 -4.79 118.94 114.38 1wxb s TRP 42 Ca 0.08 1.11 -0.04 0.00 0.02 0.00 0.00 56.10 57.28 1wxb s TRP 42 Cb -0.12 -2.52 0.11 0.00 -1.15 0.00 0.00 33.47 29.80 1wxb s TRP 42 CO 0.02 -0.25 0.22 0.21 0.02 0.00 0.00 176.95 177.17 1wxb s LYS 43 N -4.19 2.05 0.35 4.98 2.20 -0.81 -1.85 119.74 122.47 1wxb s LYS 43 Ca 0.52 -1.82 0.05 0.00 -0.36 0.00 0.00 55.97 54.37 1wxb s LYS 43 Cb -0.10 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 1wxb s LYS 43 CO 0.36 -1.09 0.50 -0.51 -0.36 0.00 0.00 175.35 174.25 1wxb s LEU 44 N 1.15 3.93 -0.07 5.43 2.01 -0.94 -1.94 118.68 128.24 1wxb s LEU 44 Ca 0.08 -0.10 0.00 0.00 0.01 0.00 0.00 54.13 54.12 1wxb s LEU 44 Cb -0.23 -2.82 0.02 0.00 0.01 0.00 0.00 46.19 43.17 1wxb s LEU 44 CO -0.04 -0.47 -0.05 -0.60 1.01 0.00 0.00 176.35 176.21 1wxb s ARG 45 N -4.23 1.06 0.84 1.70 3.52 -0.81 -1.86 118.95 119.17 1wxb s ARG 45 Ca 0.45 -0.12 -0.12 0.00 -0.13 0.00 0.00 55.73 55.82 1wxb s ARG 45 Cb -0.10 -1.16 0.10 0.00 -1.56 0.00 0.00 34.95 32.23 1wxb s ARG 45 CO 0.32 -0.19 1.11 -1.54 -0.81 0.00 0.00 175.30 174.19 1wxb s SER 46 N 1.44 4.10 0.00 -2.12 1.04 0.25 -3.08 113.70 115.34 1wxb s SER 46 Ca -0.02 1.22 0.15 0.00 0.48 0.00 0.00 55.95 57.78 1wxb s SER 46 Cb -0.13 -1.91 0.67 0.00 0.10 0.00 0.00 66.02 64.75 1wxb s SER 46 CO -0.04 -2.21 1.46 -2.11 0.98 0.00 0.00 173.24 171.33 1wxb n ARG 47 N -3.58 0.06 -0.13 4.02 0.00 -1.26 -1.83 116.66 113.94 1wxb n ARG 47 Ca 0.07 0.22 0.03 0.00 -0.00 0.00 0.00 57.85 58.17 1wxb n ARG 47 Cb 0.57 -1.50 0.10 0.00 -0.00 0.00 0.00 32.46 31.63 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 -1.44 1.36 -0.18 2.89 2.88 -1.26 -4.83 113.62 113.03 1wxb n SER 48 Ca 0.05 -2.04 -0.02 0.00 -1.33 0.00 0.00 58.87 55.52 1wxb n SER 48 Cb 0.16 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.40 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 0.76 0.52 3.87 0.46 0.00 -0.76 -5.00 105.19 105.05 1wxb n GLY 49 Ca 0.08 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.31 3.73 -0.04 1.61 -1.52 -1.23 -4.91 119.66 115.98 1wxb s GLN 50 Ca 0.00 0.12 0.01 0.00 -1.95 0.00 0.00 55.36 53.54 1wxb s GLN 50 Cb 0.00 -2.95 0.02 0.00 -0.22 0.00 0.00 33.01 29.87 1wxb s GLN 50 CO 0.00 0.53 -0.04 0.00 -0.25 0.00 0.00 175.29 175.53 1wxb s ALA 51 N -1.48 0.64 0.16 6.09 0.00 -1.26 0.87 121.76 126.78 1wxb s ALA 51 Ca 0.35 -0.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1wxb s ALA 51 Cb -0.13 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1wxb s ALA 51 CO 0.20 -0.05 0.35 0.20 0.00 0.00 0.00 175.76 176.46 1wxb s GLY 52 N 0.99 0.23 0.22 0.00 0.00 -0.77 -4.86 107.32 103.13 1wxb s GLY 52 Ca -0.10 -0.62 -0.05 0.00 0.00 0.00 0.00 44.72 43.95 1wxb s GLY 52 CO -0.00 -0.64 0.47 -0.19 0.00 0.00 0.00 173.10 172.74 1wxb s TYR 53 N -3.92 3.47 0.16 1.90 2.02 0.50 -2.22 117.35 119.25 1wxb s TYR 53 Ca 0.13 0.60 -0.14 0.00 -0.37 0.00 0.00 57.07 57.29 1wxb s TYR 53 Cb 0.02 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.54 1wxb s TYR 53 CO -0.03 0.30 0.39 0.14 -1.57 0.00 0.00 175.55 174.78 1wxb s VAL 54 N -1.88 0.06 0.39 0.71 -7.23 -0.77 -2.86 120.40 108.82 1wxb s VAL 54 Ca 0.43 -0.94 -0.24 0.00 -1.81 0.00 0.00 61.98 59.42 1wxb s VAL 54 Cb -0.11 -1.51 -0.09 0.00 0.56 0.00 0.00 36.38 35.23 1wxb s VAL 54 CO 0.27 -0.28 1.06 -2.16 -0.31 0.00 0.00 175.10 173.67 1wxb s PRO 55 N -3.88 4.18 0.00 4.82 0.04 -1.26 -1.99 135.00 136.91 1wxb s PRO 55 Ca 0.09 1.54 0.31 0.00 0.04 0.00 0.00 61.00 62.97 1wxb s PRO 55 Cb 0.02 -2.58 1.62 0.00 0.04 0.00 0.00 34.50 33.60 1wxb s PRO 55 CO -0.06 -0.13 2.07 0.00 0.04 0.00 0.00 177.00 178.93 1wxb h ASN 57 N 0.54 0.00 0.00 0.00 -0.73 -1.92 -2.85 115.58 110.61 1wxb h ASN 57 Ca 0.00 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.14 1wxb h ASN 57 Cb 0.17 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 1wxb h ASN 57 CO 0.00 0.21 -1.81 2.30 -0.37 0.00 0.00 177.43 177.77 1wxb n ILE 58 N -3.43 0.10 -1.55 2.57 -5.35 -1.19 -4.98 119.36 105.53 1wxb n ILE 58 Ca -0.00 -0.41 -0.31 0.00 -0.27 0.00 0.00 62.75 61.75 1wxb n ILE 58 Cb 0.40 0.05 0.05 0.00 -1.74 0.00 0.00 39.64 38.40 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 -4.27 3.13 -0.06 7.28 1.43 -1.08 -1.75 118.68 123.36 1wxb s LEU 59 Ca -0.06 1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 54.38 1wxb s LEU 59 Cb 0.10 -4.50 0.07 0.00 0.03 0.00 0.00 46.19 41.89 1wxb s LEU 59 CO 0.70 -1.50 0.67 -0.83 0.23 0.00 0.00 176.35 175.63 1wxb s GLY 60 N -3.73 -0.57 -0.10 -3.19 0.00 -1.26 -4.90 107.32 93.57 1wxb s GLY 60 Ca 0.58 1.33 -0.29 0.00 0.00 0.00 0.00 44.72 46.35 1wxb s GLY 60 CO 0.55 0.98 2.06 -0.54 0.00 0.00 0.00 173.10 176.16 1wxb s GLU 61 N -1.10 3.63 -0.28 2.90 2.02 -1.26 -3.20 118.70 121.41 1wxb s GLU 61 Ca -0.10 2.27 -0.27 0.00 0.02 0.00 0.00 54.97 56.88 1wxb s GLU 61 Cb -0.00 -4.26 0.01 0.00 0.10 0.00 0.00 34.13 29.98 1wxb s GLU 61 CO 0.09 -1.53 0.98 0.00 0.02 0.00 0.00 175.26 174.82 1wxb s ALA 62 N 6.35 3.58 0.17 5.21 0.00 -1.22 -4.85 121.76 131.01 1wxb s ALA 62 Ca 0.93 -0.07 -0.33 0.00 0.00 0.00 0.00 51.96 52.49 1wxb s ALA 62 Cb -0.37 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.10 1wxb s ALA 62 CO 0.38 -1.23 1.64 -1.13 0.00 0.00 0.00 175.76 175.41 1wxb n SER 63 N 6.47 3.43 -1.67 0.00 3.41 -1.26 -4.80 113.62 119.19 1wxb n SER 63 Ca 0.10 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1wxb n SER 63 Cb 0.47 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1wxb n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wxb n GLY 64 N 3.63 0.71 2.55 5.00 0.00 -1.26 -5.03 105.19 110.79 1wxb n GLY 64 Ca 0.17 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.22 2.68 -4.24 1.61 -0.04 -1.26 -4.80 135.00 128.73 1wxb n PRO 65 Ca 0.01 -1.83 -0.14 0.00 -0.04 0.00 0.00 63.50 61.50 1wxb n PRO 65 Cb 0.15 -2.67 -0.10 0.00 -0.04 0.00 0.00 33.50 30.84 1wxb n PRO 65 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wxb s SER 66 N 3.07 0.60 -0.17 3.54 1.04 -1.26 -5.05 113.70 115.47 1wxb s SER 66 Ca 0.52 -1.37 -0.12 0.00 0.48 0.00 0.00 55.95 55.47 1wxb s SER 66 Cb 0.14 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 1wxb s SER 66 CO -0.04 -0.78 0.22 -0.94 0.98 0.00 0.00 173.24 172.68 1wxb s SER 67 N -3.21 6.34 0.00 7.02 1.04 -1.26 -5.15 113.70 118.48 1wxb s SER 67 Ca 0.37 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.19 1wxb s SER 67 Cb 0.07 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 64.06 1wxb s SER 67 CO 0.12 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.10