#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn3 s ASP 3 N 0.00 4.17 0.25 0.55 -1.08 -1.26 -5.02 116.67 114.28 1wn3 s ASP 3 Ca 0.00 -1.76 -0.03 0.00 -0.52 0.00 0.00 52.55 50.24 1wn3 s ASP 3 Cb 0.00 -1.02 0.43 0.00 -1.46 0.00 0.00 42.92 40.88 1wn3 s ASP 3 CO 0.00 -0.41 1.80 -0.65 0.52 0.00 0.00 175.17 176.44 1wn3 h PRO 4 N 7.97 0.75 -0.32 4.34 0.11 -2.05 -2.26 132.00 140.54 1wn3 h PRO 4 Ca -0.11 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.91 1wn3 h PRO 4 Cb 1.01 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1wn3 h PRO 4 CO 0.48 0.50 0.02 0.35 -0.21 0.00 0.00 178.00 179.14 1wn3 h PHE 5 N 0.77 0.59 -0.71 0.65 3.57 -1.99 0.69 116.94 120.52 1wn3 h PHE 5 Ca 0.42 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.87 1wn3 h PHE 5 Cb 0.43 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1wn3 h PHE 5 CO -0.06 0.65 0.43 0.52 -2.23 0.00 0.00 178.31 177.61 1wn3 h MET 6 N 0.35 0.78 -0.36 1.11 2.86 -1.89 -0.19 114.93 117.60 1wn3 h MET 6 Ca 0.09 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1wn3 h MET 6 Cb 0.40 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1wn3 h MET 6 CO 0.01 0.52 0.19 1.49 1.06 0.00 0.00 176.91 180.17 1wn3 h GLU 7 N 0.80 0.51 -0.21 1.72 4.81 -1.05 -0.14 114.58 121.02 1wn3 h GLU 7 Ca 0.30 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1wn3 h GLU 7 Cb 0.11 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1wn3 h GLU 7 CO -0.15 0.43 -0.05 0.00 -0.73 0.00 0.00 179.01 178.51 1wn3 h ALA 8 N 1.04 1.53 -0.00 2.92 0.00 -0.27 -1.17 119.26 123.31 1wn3 h ALA 8 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wn3 h ALA 8 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1wn3 h ALA 8 CO -0.02 0.34 -0.04 1.28 0.00 0.00 0.00 179.25 180.81 1wn3 n LEU 9 N -4.31 0.05 -0.84 0.00 4.77 -0.14 -4.91 117.00 111.62 1wn3 n LEU 9 Ca 0.00 0.42 -0.07 0.00 -0.03 0.00 0.00 56.01 56.32 1wn3 n LEU 9 Cb 0.23 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1wn3 n LEU 9 CO 0.38 0.01 -0.09 0.61 -1.33 0.00 0.00 177.39 176.96 1wn3 n GLY 10 N 1.46 0.08 3.83 -0.72 0.00 -0.44 -4.86 105.19 104.53 1wn3 n GLY 10 Ca 0.08 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1wn3 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wn3 s LEU 11 N -2.11 4.18 -0.03 0.99 1.43 -0.19 -4.69 118.68 118.26 1wn3 s LEU 11 Ca 0.00 1.43 0.04 0.00 -1.03 0.00 0.00 54.13 54.57 1wn3 s LEU 11 Cb 0.00 -3.95 -0.00 0.00 0.03 0.00 0.00 46.19 42.27 1wn3 s LEU 11 CO 0.00 -0.12 -0.14 -0.75 0.23 0.00 0.00 176.35 175.56 1wn3 s LYS 12 N -2.55 1.46 -0.21 1.70 2.20 0.64 -4.66 119.74 118.32 1wn3 s LYS 12 Ca 0.51 -0.50 -0.25 0.00 -0.36 0.00 0.00 55.97 55.36 1wn3 s LYS 12 Cb -0.13 -1.30 -0.01 0.00 -1.51 0.00 0.00 37.83 34.88 1wn3 s LYS 12 CO 0.19 0.21 0.85 0.08 -0.36 0.00 0.00 175.35 176.31 1wn3 s VAL 13 N 0.06 4.84 -0.12 4.02 1.01 -1.26 0.18 120.40 129.13 1wn3 s VAL 13 Ca -0.03 1.63 0.18 0.00 0.00 0.00 0.00 61.98 63.76 1wn3 s VAL 13 Cb -0.10 -4.14 -0.26 0.00 0.00 0.00 0.00 36.38 31.88 1wn3 s VAL 13 CO 0.01 -0.04 0.21 0.18 0.00 0.00 0.00 175.10 175.47 1wn3 n LEU 14 N 5.68 0.00 -3.68 3.92 4.77 0.34 -4.97 117.00 123.06 1wn3 n LEU 14 Ca 0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1wn3 n LEU 14 Cb 0.48 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.75 1wn3 n LEU 14 CO 0.48 0.27 0.22 -2.28 -1.33 0.00 0.00 177.39 174.75 1wn3 s HIS 15 N -2.82 -0.66 -0.13 -1.77 5.04 -1.09 -4.97 115.29 108.89 1wn3 s HIS 15 Ca -0.08 1.52 -0.05 0.00 -1.54 0.00 0.00 55.06 54.91 1wn3 s HIS 15 Cb 0.08 0.27 0.06 0.00 0.04 0.00 0.00 32.58 33.03 1wn3 s HIS 15 CO 0.77 -0.33 0.26 -1.17 -2.34 0.00 0.00 174.74 171.93 1wn3 s LEU 16 N 0.61 -0.25 0.24 8.88 2.96 -1.26 -0.85 118.68 129.01 1wn3 s LEU 16 Ca -0.03 0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 54.40 1wn3 s LEU 16 Cb -0.05 0.68 -0.02 0.00 0.50 0.00 0.00 46.19 47.31 1wn3 s LEU 16 CO -0.04 -0.24 0.33 0.00 -1.32 0.00 0.00 176.35 175.09 1wn3 s ALA 17 N 2.34 0.52 -0.17 5.97 0.00 -0.88 -5.02 121.76 124.53 1wn3 s ALA 17 Ca 0.01 -1.33 -0.36 0.00 0.00 0.00 0.00 51.96 50.28 1wn3 s ALA 17 Cb -0.12 1.22 -0.13 0.00 0.00 0.00 0.00 23.12 24.10 1wn3 s ALA 17 CO -0.08 -0.74 1.86 -2.30 0.00 0.00 0.00 175.76 174.50 1wn3 n PRO 18 N -0.37 1.81 -1.11 0.00 -0.02 -1.26 -1.28 135.00 132.76 1wn3 n PRO 18 Ca 0.00 0.66 -0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1wn3 n PRO 18 Cb 0.63 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1wn3 n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wn3 n GLY 19 N 4.47 0.59 3.23 -1.23 0.00 -1.26 -4.99 105.19 106.00 1wn3 n GLY 19 Ca 0.25 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1wn3 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wn3 s GLU 20 N -1.71 0.79 -0.11 1.61 -1.05 -0.40 -2.74 118.70 115.09 1wn3 s GLU 20 Ca 0.00 -0.60 -0.30 0.00 -0.15 0.00 0.00 54.97 53.92 1wn3 s GLU 20 Cb 0.00 0.34 0.09 0.00 -0.44 0.00 0.00 34.13 34.11 1wn3 s GLU 20 CO 0.00 -0.25 0.78 0.00 0.95 0.00 0.00 175.26 176.74 1wn3 s ALA 21 N -2.75 -1.82 -0.09 -0.84 0.00 -1.02 -2.07 121.76 113.17 1wn3 s ALA 21 Ca -0.04 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.40 1wn3 s ALA 21 Cb -0.00 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.79 1wn3 s ALA 21 CO -0.05 -0.35 -0.04 0.08 0.00 0.00 0.00 175.76 175.40 1wn3 s VAL 22 N -0.96 0.73 -0.01 0.00 1.01 -0.03 -0.09 120.40 121.04 1wn3 s VAL 22 Ca -0.07 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1wn3 s VAL 22 Cb -0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1wn3 s VAL 22 CO 0.06 0.31 -0.22 -0.69 0.00 0.00 0.00 175.10 174.57 1wn3 s VAL 23 N 1.69 2.46 0.16 2.92 1.01 -0.67 -0.50 120.40 127.46 1wn3 s VAL 23 Ca 0.03 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.03 1wn3 s VAL 23 Cb -0.13 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1wn3 s VAL 23 CO -0.06 0.52 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 1wn3 s ALA 24 N -0.72 1.75 0.20 5.51 0.00 0.13 -0.56 121.76 128.07 1wn3 s ALA 24 Ca 0.11 -1.46 -0.10 0.00 0.00 0.00 0.00 51.96 50.52 1wn3 s ALA 24 Cb -0.10 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1wn3 s ALA 24 CO 0.01 0.10 0.50 0.41 0.00 0.00 0.00 175.76 176.79 1wn3 n GLY 25 N 0.16 1.26 2.96 0.00 0.00 0.08 -0.26 105.19 109.39 1wn3 n GLY 25 Ca -0.12 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 1wn3 n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wn3 s GLU 26 N -2.05 0.27 -1.00 1.61 2.12 -1.26 -0.89 118.70 117.51 1wn3 s GLU 26 Ca 0.10 -0.39 -0.23 0.00 0.36 0.00 0.00 54.97 54.82 1wn3 s GLU 26 Cb -0.03 -0.08 0.04 0.00 0.26 0.00 0.00 34.13 34.33 1wn3 s GLU 26 CO 0.06 0.01 1.48 0.08 -0.54 0.00 0.00 175.26 176.34 1wn3 s VAL 27 N -0.79 3.88 0.91 3.70 1.01 -0.23 -4.95 120.40 123.94 1wn3 s VAL 27 Ca -0.07 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 1wn3 s VAL 27 Cb -0.06 -4.99 0.14 0.00 0.00 0.00 0.00 36.38 31.48 1wn3 s VAL 27 CO -0.00 -1.88 1.17 -0.13 0.00 0.00 0.00 175.10 174.26 1wn3 s ARG 28 N 5.13 1.10 0.38 2.72 0.52 -1.26 0.53 118.95 128.07 1wn3 s ARG 28 Ca 0.47 0.12 0.06 0.00 -0.52 0.00 0.00 55.73 55.87 1wn3 s ARG 28 Cb -0.01 -1.85 0.79 0.00 0.52 0.00 0.00 34.95 34.40 1wn3 s ARG 28 CO -0.09 -2.19 2.00 0.00 0.02 0.00 0.00 175.30 175.04 1wn3 h ALA 29 N -1.49 1.71 0.00 2.13 0.00 -1.98 -1.57 119.26 118.06 1wn3 h ALA 29 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wn3 h ALA 29 Cb 1.32 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wn3 h ALA 29 CO 0.58 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.65 1wn3 n ASP 30 N -4.47 0.00 -0.65 0.00 5.75 -1.26 -2.74 116.55 113.19 1wn3 n ASP 30 Ca 0.07 -0.85 0.08 0.00 -0.01 0.00 0.00 54.79 54.08 1wn3 n ASP 30 Cb 0.15 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.31 1wn3 n ASP 30 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1wn3 n HIS 31 N -0.93 0.00 -2.56 2.11 8.25 -0.59 -5.00 115.22 116.50 1wn3 n HIS 31 Ca 0.15 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.29 1wn3 n HIS 31 Cb 0.07 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 1wn3 n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wn3 s LEU 32 N -1.39 3.74 0.00 2.41 1.43 -1.11 -0.18 118.68 123.58 1wn3 s LEU 32 Ca 0.19 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1wn3 s LEU 32 Cb 0.14 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.86 1wn3 s LEU 32 CO 0.21 -0.50 0.00 -0.46 0.23 0.00 0.00 176.35 175.83 1wn3 n ASN 33 N -1.25 0.00 0.08 2.29 0.23 0.16 -4.62 115.26 112.14 1wn3 n ASN 33 Ca 0.06 -0.93 0.10 0.00 -0.53 0.00 0.00 54.58 53.29 1wn3 n ASN 33 Cb 0.54 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.65 1wn3 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wn3 n LEU 34 N 0.00 0.39 0.01 -4.53 -0.00 -1.26 -2.31 117.00 109.31 1wn3 n LEU 34 Ca 0.00 0.60 0.12 0.00 -0.00 0.00 0.00 56.01 56.73 1wn3 n LEU 34 Cb 0.00 -0.55 0.13 0.00 -0.00 0.00 0.00 43.42 43.00 1wn3 n LEU 34 CO 0.00 -0.45 0.25 1.41 -0.00 0.00 0.00 177.39 178.60 1wn3 n HIS 35 N -1.94 0.14 -0.38 1.47 8.25 -1.26 -4.96 115.22 116.55 1wn3 n HIS 35 Ca 0.03 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1wn3 n HIS 35 Cb 0.20 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.99 1wn3 n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wn3 n GLY 36 N 1.44 0.80 3.69 -1.41 0.00 -0.98 -5.07 105.19 103.67 1wn3 n GLY 36 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1wn3 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wn3 s THR 37 N -2.09 2.24 0.14 2.61 -4.23 -1.26 -4.50 115.64 108.54 1wn3 s THR 37 Ca 0.00 -1.81 -0.34 0.00 -1.18 0.00 0.00 61.69 58.36 1wn3 s THR 37 Cb 0.00 -2.98 -0.14 0.00 1.34 0.00 0.00 72.50 70.72 1wn3 s THR 37 CO 0.00 -0.02 1.61 0.00 -0.54 0.00 0.00 174.62 175.67 1wn3 n ALA 38 N -1.13 1.34 -1.88 3.99 0.00 0.41 -0.67 120.51 122.57 1wn3 n ALA 38 Ca -0.03 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1wn3 n ALA 38 Cb 0.65 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 1wn3 n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wn3 s HIS 39 N 1.22 2.99 0.48 0.00 2.46 0.74 -4.69 115.29 118.50 1wn3 s HIS 39 Ca 0.80 0.86 0.22 0.00 0.47 0.00 0.00 55.06 57.41 1wn3 s HIS 39 Cb -0.68 -3.89 1.25 0.00 -0.13 0.00 0.00 32.58 29.13 1wn3 s HIS 39 CO 0.39 -3.06 1.91 0.78 -2.47 0.00 0.00 174.74 172.30 1wn3 h GLY 40 N 5.59 0.40 2.00 1.59 0.00 -1.90 0.17 103.07 110.92 1wn3 h GLY 40 Ca -0.45 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 1wn3 h GLY 40 CO 0.82 0.01 -0.36 -1.33 0.00 0.00 0.00 176.54 175.69 1wn3 h GLY 41 N 0.21 0.00 0.90 4.60 0.00 -1.95 -2.05 103.07 104.78 1wn3 h GLY 41 Ca 0.38 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.53 1wn3 h GLY 41 CO -0.08 0.00 -0.67 -2.75 0.00 0.00 0.00 176.54 173.05 1wn3 h PHE 42 N 0.00 0.73 -0.59 5.60 3.57 -1.00 -1.26 116.94 123.99 1wn3 h PHE 42 Ca -0.00 -0.38 -0.07 0.00 3.53 0.00 0.00 57.97 61.05 1wn3 h PHE 42 Cb 0.83 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1wn3 h PHE 42 CO 0.00 1.19 0.09 -0.07 -2.23 0.00 0.00 178.31 177.28 1wn3 h LEU 43 N 0.06 0.91 -0.23 0.59 3.38 -1.40 -1.73 115.31 116.88 1wn3 h LEU 43 Ca -0.08 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1wn3 h LEU 43 Cb 1.35 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1wn3 h LEU 43 CO 0.13 0.92 -0.06 0.22 0.09 0.00 0.00 178.44 179.75 1wn3 h TYR 44 N 0.90 0.51 -0.79 1.13 5.03 -1.40 -1.95 116.97 120.41 1wn3 h TYR 44 Ca 0.18 -0.11 0.09 0.00 2.58 0.00 0.00 58.73 61.47 1wn3 h TYR 44 Cb 0.41 -0.12 -0.07 0.00 1.55 0.00 0.00 36.73 38.50 1wn3 h TYR 44 CO 0.03 0.68 0.44 0.00 -1.32 0.00 0.00 178.16 177.99 1wn3 h ALA 45 N 0.75 1.11 0.26 1.82 0.00 -0.96 0.48 119.26 122.72 1wn3 h ALA 45 Ca 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wn3 h ALA 45 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wn3 h ALA 45 CO 0.02 0.08 -0.12 1.25 0.00 0.00 0.00 179.25 180.48 1wn3 h LEU 46 N 0.76 -0.30 -0.87 0.00 5.85 -1.20 0.21 115.31 119.76 1wn3 h LEU 46 Ca 0.37 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1wn3 h LEU 46 Cb 0.32 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1wn3 h LEU 46 CO -0.24 -0.15 0.47 0.00 -0.34 0.00 0.00 178.44 178.18 1wn3 h ALA 47 N 0.31 1.12 -0.39 1.25 0.00 -0.82 -2.47 119.26 118.27 1wn3 h ALA 47 Ca -0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1wn3 h ALA 47 Cb 0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1wn3 h ALA 47 CO 0.06 0.64 -0.02 0.22 0.00 0.00 0.00 179.25 180.15 1wn3 h ASP 48 N 1.22 0.60 -0.53 0.00 3.58 0.13 -1.78 116.42 119.64 1wn3 h ASP 48 Ca 0.31 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.51 1wn3 h ASP 48 Cb 0.04 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1wn3 h ASP 48 CO -0.05 0.69 -0.10 0.28 -2.88 0.00 0.00 179.24 177.18 1wn3 h SER 49 N 0.60 1.01 -0.00 2.28 0.02 -0.50 0.89 113.55 117.84 1wn3 h SER 49 Ca 0.12 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.64 1wn3 h SER 49 Cb 0.41 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1wn3 h SER 49 CO 0.02 1.12 -0.23 0.00 -1.14 0.00 0.00 176.83 176.59 1wn3 h ALA 50 N 0.92 1.20 -0.28 3.77 0.00 -1.24 -1.37 119.26 122.27 1wn3 h ALA 50 Ca 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1wn3 h ALA 50 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1wn3 h ALA 50 CO 0.05 0.52 0.06 0.35 0.00 0.00 0.00 179.25 180.22 1wn3 h PHE 51 N 0.35 0.48 0.33 0.00 3.57 -0.96 -1.06 116.94 119.65 1wn3 h PHE 51 Ca 0.06 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1wn3 h PHE 51 Cb 0.61 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1wn3 h PHE 51 CO 0.02 0.54 -0.17 0.00 -2.23 0.00 0.00 178.31 176.46 1wn3 h ALA 52 N 0.88 -0.47 -0.48 2.41 0.00 -0.36 -1.70 119.26 119.55 1wn3 h ALA 52 Ca 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wn3 h ALA 52 Cb 0.31 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1wn3 h ALA 52 CO 0.00 -0.77 0.24 -0.07 0.00 0.00 0.00 179.25 178.66 1wn3 h LEU 53 N -0.47 0.62 -0.40 0.00 3.38 -1.26 -1.56 115.31 115.63 1wn3 h LEU 53 Ca -0.04 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1wn3 h LEU 53 Cb 0.37 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1wn3 h LEU 53 CO 0.06 0.57 0.14 0.00 0.09 0.00 0.00 178.44 179.30 1wn3 h ALA 54 N 1.08 0.52 -0.37 1.53 0.00 -1.14 -2.89 119.26 117.98 1wn3 h ALA 54 Ca 0.17 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1wn3 h ALA 54 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wn3 h ALA 54 CO -0.02 0.14 -0.25 0.66 0.00 0.00 0.00 179.25 179.78 1wn3 h SER 55 N 0.49 0.77 0.50 0.00 4.64 -1.26 -2.99 113.55 115.71 1wn3 h SER 55 Ca 0.13 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1wn3 h SER 55 Cb 0.23 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1wn3 h SER 55 CO -0.01 0.99 0.00 0.59 -0.87 0.00 0.00 176.83 177.53 1wn3 n ASN 56 N -4.10 0.00 0.02 4.97 3.02 -0.59 -2.03 115.26 116.55 1wn3 n ASN 56 Ca -0.00 0.19 0.10 0.00 -0.03 0.00 0.00 54.58 54.84 1wn3 n ASN 56 Cb 0.45 -0.37 0.43 0.00 -0.61 0.00 0.00 39.78 39.67 1wn3 n ASN 56 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wn3 n THR 57 N -1.37 0.67 0.97 3.41 -2.24 -1.10 -1.75 114.28 112.87 1wn3 n THR 57 Ca 0.08 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 1wn3 n THR 57 Cb 0.19 -0.85 0.08 0.00 -2.10 0.00 0.00 70.33 67.65 1wn3 n THR 57 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wn3 n ARG 58 N -1.64 2.09 0.00 -0.78 5.12 -0.86 -4.77 116.66 115.83 1wn3 n ARG 58 Ca 0.04 -1.76 0.00 0.00 -1.93 0.00 0.00 57.85 54.21 1wn3 n ARG 58 Cb 0.24 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 1wn3 n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wn3 n GLY 59 N 1.33 2.69 3.71 -0.13 0.00 -0.72 -5.04 105.19 107.03 1wn3 n GLY 59 Ca 0.13 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1wn3 n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wn3 n PRO 60 N -1.31 2.67 -3.79 1.61 -0.04 -1.26 -4.13 135.00 128.75 1wn3 n PRO 60 Ca 0.00 0.96 -0.13 0.00 -0.04 0.00 0.00 63.50 64.30 1wn3 n PRO 60 Cb 0.00 -2.80 -0.10 0.00 -0.04 0.00 0.00 33.50 30.56 1wn3 n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wn3 s ALA 61 N 1.31 -0.66 0.01 0.55 0.00 -1.26 -0.56 121.76 121.16 1wn3 s ALA 61 Ca 0.77 0.38 0.08 0.00 0.00 0.00 0.00 51.96 53.18 1wn3 s ALA 61 Cb -0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1wn3 s ALA 61 CO 0.34 -0.21 -0.23 0.14 0.00 0.00 0.00 175.76 175.80 1wn3 s VAL 62 N -0.87 1.87 0.39 0.00 -7.23 -0.54 -4.87 120.40 109.15 1wn3 s VAL 62 Ca -0.10 -1.15 -0.27 0.00 -1.81 0.00 0.00 61.98 58.66 1wn3 s VAL 62 Cb -0.05 -1.58 -0.10 0.00 0.56 0.00 0.00 36.38 35.21 1wn3 s VAL 62 CO 0.02 0.40 1.41 0.00 -0.31 0.00 0.00 175.10 176.63 1wn3 s ALA 63 N -0.68 3.43 0.01 1.32 0.00 -1.26 -0.27 121.76 124.31 1wn3 s ALA 63 Ca 0.09 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 1wn3 s ALA 63 Cb -0.09 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 1wn3 s ALA 63 CO 0.01 -0.99 -0.05 -0.11 0.00 0.00 0.00 175.76 174.62 1wn3 n LEU 64 N 0.29 0.74 -3.78 0.00 7.94 -0.14 -4.81 117.00 117.25 1wn3 n LEU 64 Ca 0.02 0.10 -0.13 0.00 -1.11 0.00 0.00 56.01 54.90 1wn3 n LEU 64 Cb 0.41 -0.25 -0.14 0.00 0.53 0.00 0.00 43.42 43.98 1wn3 n LEU 64 CO 0.60 -0.31 -0.21 -0.55 -1.11 0.00 0.00 177.39 175.82 1wn3 s SER 65 N -5.65 -0.14 0.02 1.96 0.15 -1.15 -5.02 113.70 103.87 1wn3 s SER 65 Ca -0.04 0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.93 1wn3 s SER 65 Cb 0.01 0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 1wn3 s SER 65 CO 0.06 -0.11 -0.05 0.00 1.20 0.00 0.00 173.24 174.34 1wn3 s ARG 67 N -0.81 1.71 -0.12 0.00 3.52 0.11 -4.98 118.95 118.39 1wn3 s ARG 67 Ca -0.05 -0.93 -0.01 0.00 -0.13 0.00 0.00 55.73 54.61 1wn3 s ARG 67 Cb -0.06 -1.76 0.04 0.00 -1.56 0.00 0.00 34.95 31.61 1wn3 s ARG 67 CO -0.00 0.47 -0.02 1.41 -0.81 0.00 0.00 175.30 176.35 1wn3 s MET 68 N -0.90 0.97 -0.25 5.12 -2.45 -1.26 -1.11 119.30 119.42 1wn3 s MET 68 Ca 0.09 -0.18 -0.06 0.00 -1.25 0.00 0.00 55.69 54.29 1wn3 s MET 68 Cb -0.09 -1.50 -0.01 0.00 1.25 0.00 0.00 34.83 34.47 1wn3 s MET 68 CO 0.01 -0.38 0.03 -0.51 1.05 0.00 0.00 175.02 175.21 1wn3 s ASP 69 N 1.83 4.79 -0.15 1.11 1.01 0.40 -4.97 116.67 120.69 1wn3 s ASP 69 Ca 0.03 -0.37 -0.16 0.00 0.71 0.00 0.00 52.55 52.76 1wn3 s ASP 69 Cb -0.14 -1.84 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 1wn3 s ASP 69 CO -0.07 -0.06 0.41 -0.31 0.21 0.00 0.00 175.17 175.36 1wn3 s TYR 70 N 1.54 3.46 -0.07 4.23 2.02 -1.26 -0.77 117.35 126.49 1wn3 s TYR 70 Ca 0.05 0.74 0.01 0.00 -0.37 0.00 0.00 57.07 57.50 1wn3 s TYR 70 Cb -0.15 -2.50 -0.05 0.00 -0.40 0.00 0.00 41.96 38.86 1wn3 s TYR 70 CO 0.01 0.13 -0.05 1.19 -1.57 0.00 0.00 175.55 175.25 1wn3 n PHE 71 N 3.91 0.00 -3.91 2.71 3.72 -0.44 -5.00 117.46 118.44 1wn3 n PHE 71 Ca -0.08 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.20 1wn3 n PHE 71 Cb 0.51 -0.29 -0.13 0.00 -0.94 0.00 0.00 39.48 38.63 1wn3 n PHE 71 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1wn3 s ARG 72 N -2.15 0.10 0.55 -1.08 0.52 -0.98 -5.05 118.95 110.86 1wn3 s ARG 72 Ca -0.09 -0.14 -0.14 0.00 -0.52 0.00 0.00 55.73 54.84 1wn3 s ARG 72 Cb 0.02 -0.01 -0.06 0.00 0.52 0.00 0.00 34.95 35.42 1wn3 s ARG 72 CO 0.18 -0.00 0.99 -1.25 0.02 0.00 0.00 175.30 175.24 1wn3 s PRO 73 N -0.32 3.79 0.04 3.54 0.04 -1.26 -4.84 135.00 135.99 1wn3 s PRO 73 Ca -0.03 0.82 0.07 0.00 0.04 0.00 0.00 61.00 61.90 1wn3 s PRO 73 Cb -0.02 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1wn3 s PRO 73 CO -0.00 -0.38 -0.19 -0.51 0.04 0.00 0.00 177.00 175.96 1wn3 s LEU 74 N -4.53 2.16 0.40 -3.56 1.43 -1.26 -5.00 118.68 108.32 1wn3 s LEU 74 Ca 0.57 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1wn3 s LEU 74 Cb -0.10 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.20 1wn3 s LEU 74 CO 0.41 0.15 0.56 -0.83 0.23 0.00 0.00 176.35 176.87 1wn3 s GLY 75 N -1.11 1.75 0.32 -3.19 0.00 -1.26 -0.45 107.32 103.38 1wn3 s GLY 75 Ca 0.07 -1.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.01 1wn3 s GLY 75 CO 0.01 -1.33 1.45 0.00 0.00 0.00 0.00 173.10 173.23 1wn3 n ALA 76 N -1.84 1.88 0.00 3.20 0.00 -1.26 -2.39 120.51 120.10 1wn3 n ALA 76 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1wn3 n ALA 76 Cb 0.59 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1wn3 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wn3 n GLY 77 N 1.37 1.33 3.74 0.00 0.00 0.19 -4.99 105.19 106.84 1wn3 n GLY 77 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1wn3 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wn3 s ALA 78 N -2.32 3.56 -0.11 4.61 0.00 -1.00 -4.65 121.76 121.85 1wn3 s ALA 78 Ca 0.00 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 1wn3 s ALA 78 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1wn3 s ALA 78 CO 0.00 -0.62 0.64 1.03 0.00 0.00 0.00 175.76 176.81 1wn3 s ARG 79 N -0.44 4.37 0.13 0.00 0.52 -1.26 -1.06 118.95 121.21 1wn3 s ARG 79 Ca 0.57 0.74 0.07 0.00 -0.52 0.00 0.00 55.73 56.58 1wn3 s ARG 79 Cb -0.39 -3.47 -0.04 0.00 0.52 0.00 0.00 34.95 31.57 1wn3 s ARG 79 CO 0.42 0.02 -0.16 0.54 0.02 0.00 0.00 175.30 176.14 1wn3 s VAL 80 N 1.00 1.50 0.04 3.52 0.11 -0.07 -4.33 120.40 122.18 1wn3 s VAL 80 Ca 0.33 -1.75 0.01 0.00 -2.93 0.00 0.00 61.98 57.64 1wn3 s VAL 80 Cb -0.17 -1.61 -0.03 0.00 -1.53 0.00 0.00 36.38 33.05 1wn3 s VAL 80 CO 0.15 -0.35 -0.05 -0.70 -3.33 0.00 0.00 175.10 170.82 1wn3 s GLU 81 N -2.61 0.47 -0.15 1.54 2.12 -0.31 -0.74 118.70 119.02 1wn3 s GLU 81 Ca 0.10 -0.82 -0.00 0.00 0.36 0.00 0.00 54.97 54.61 1wn3 s GLU 81 Cb -0.06 -0.03 0.03 0.00 0.26 0.00 0.00 34.13 34.34 1wn3 s GLU 81 CO 0.04 -0.03 -0.09 0.00 -0.54 0.00 0.00 175.26 174.65 1wn3 s ALA 82 N -2.02 1.62 -0.36 6.30 0.00 0.27 -0.86 121.76 126.72 1wn3 s ALA 82 Ca -0.08 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 1wn3 s ALA 82 Cb -0.06 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.00 1wn3 s ALA 82 CO -0.02 -0.60 0.20 1.03 0.00 0.00 0.00 175.76 176.36 1wn3 s ARG 83 N 1.58 2.89 -0.17 0.00 0.52 -0.44 -1.67 118.95 121.65 1wn3 s ARG 83 Ca 0.02 -1.03 -0.12 0.00 -0.52 0.00 0.00 55.73 54.09 1wn3 s ARG 83 Cb -0.14 -3.70 -0.05 0.00 0.52 0.00 0.00 34.95 31.58 1wn3 s ARG 83 CO -0.09 -0.66 0.20 0.00 0.02 0.00 0.00 175.30 174.78 1wn3 s ALA 84 N 1.56 3.66 0.02 2.13 0.00 0.87 -1.89 121.76 128.11 1wn3 s ALA 84 Ca 0.02 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1wn3 s ALA 84 Cb -0.19 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1wn3 s ALA 84 CO 0.07 0.16 -0.13 0.14 0.00 0.00 0.00 175.76 176.00 1wn3 s VAL 85 N 0.29 0.98 -0.13 0.00 -7.23 -0.12 -2.45 120.40 111.75 1wn3 s VAL 85 Ca 0.12 -0.81 -0.27 0.00 -1.81 0.00 0.00 61.98 59.22 1wn3 s VAL 85 Cb -0.12 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.93 1wn3 s VAL 85 CO 0.01 0.07 0.89 -0.70 -0.31 0.00 0.00 175.10 175.06 1wn3 s GLU 86 N -0.84 4.36 -0.21 4.82 2.12 -1.11 -0.70 118.70 127.15 1wn3 s GLU 86 Ca 0.02 1.16 0.14 0.00 0.36 0.00 0.00 54.97 56.65 1wn3 s GLU 86 Cb -0.07 -3.55 -0.23 0.00 0.26 0.00 0.00 34.13 30.55 1wn3 s GLU 86 CO 0.01 -0.28 0.00 1.33 -0.54 0.00 0.00 175.26 175.78 1wn3 n VAL 87 N 4.55 1.40 -3.74 3.70 0.24 -0.00 -4.93 118.33 119.55 1wn3 n VAL 87 Ca 0.06 -0.79 -0.13 0.00 -2.04 0.00 0.00 64.34 61.44 1wn3 n VAL 87 Cb 0.49 -0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 32.08 1wn3 n VAL 87 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1wn3 s ASN 88 N -5.69 -0.41 -0.17 -1.34 2.47 -1.06 -4.99 114.94 103.76 1wn3 s ASN 88 Ca -0.15 0.76 -0.02 0.00 0.42 0.00 0.00 52.86 53.87 1wn3 s ASN 88 Cb 0.07 0.78 0.05 0.00 -1.45 0.00 0.00 41.25 40.70 1wn3 s ASN 88 CO 0.77 -0.16 0.01 -0.22 -3.72 0.00 0.00 177.10 173.78 1wn3 s LEU 89 N 0.11 1.26 0.48 3.21 2.96 -1.26 -1.21 118.68 124.23 1wn3 s LEU 89 Ca -0.01 -0.69 0.05 0.00 -0.22 0.00 0.00 54.13 53.27 1wn3 s LEU 89 Cb -0.03 -0.67 -0.01 0.00 0.50 0.00 0.00 46.19 45.98 1wn3 s LEU 89 CO 0.01 -0.26 0.21 -0.44 -1.32 0.00 0.00 176.35 174.55 1wn3 s SER 90 N 1.80 4.42 0.20 3.68 0.01 0.73 -5.01 113.70 119.54 1wn3 s SER 90 Ca 0.00 -1.26 -0.11 0.00 1.31 0.00 0.00 55.95 55.89 1wn3 s SER 90 Cb -0.16 0.03 0.14 0.00 0.21 0.00 0.00 66.02 66.24 1wn3 s SER 90 CO -0.07 -0.79 1.84 -0.09 0.41 0.00 0.00 173.24 174.54 1wn3 h ARG 91 N 1.19 0.98 -0.01 12.44 9.65 -2.01 -3.29 114.38 133.34 1wn3 h ARG 91 Ca -0.41 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 1wn3 h ARG 91 Cb 1.28 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1wn3 h ARG 91 CO 0.67 0.69 -0.24 -2.13 2.80 0.00 0.00 179.97 181.76 1wn3 n ARG 92 N -4.53 2.10 -4.00 0.20 3.00 -1.26 -4.79 116.66 107.39 1wn3 n ARG 92 Ca 0.06 -0.60 -0.10 0.00 -0.00 0.00 0.00 57.85 57.22 1wn3 n ARG 92 Cb 0.05 -1.11 -0.07 0.00 0.00 0.00 0.00 32.46 31.33 1wn3 n ARG 92 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1wn3 s THR 93 N -1.47 0.07 -0.09 5.15 -4.23 -1.24 0.15 115.64 113.97 1wn3 s THR 93 Ca 0.09 -1.48 -0.24 0.00 -1.18 0.00 0.00 61.69 58.87 1wn3 s THR 93 Cb 0.09 -1.89 0.06 0.00 1.34 0.00 0.00 72.50 72.09 1wn3 s THR 93 CO 0.28 -0.31 0.57 0.00 -0.54 0.00 0.00 174.62 174.63 1wn3 s ALA 94 N -3.99 -1.47 -0.03 3.99 0.00 -0.84 -0.19 121.76 119.24 1wn3 s ALA 94 Ca 0.19 1.21 0.05 0.00 0.00 0.00 0.00 51.96 53.40 1wn3 s ALA 94 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1wn3 s ALA 94 CO 0.01 -0.32 -0.17 0.99 0.00 0.00 0.00 175.76 176.27 1wn3 s THR 95 N -0.78 1.37 0.11 0.00 2.01 -0.35 -0.09 115.64 117.91 1wn3 s THR 95 Ca -0.08 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.27 1wn3 s THR 95 Cb -0.02 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1wn3 s THR 95 CO 0.06 0.39 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.91 1wn3 s TYR 96 N -0.21 1.51 -0.16 4.92 1.51 0.28 -0.82 117.35 124.38 1wn3 s TYR 96 Ca 0.02 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 1wn3 s TYR 96 Cb -0.09 -0.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1wn3 s TYR 96 CO 0.00 0.17 -0.09 0.50 -1.11 0.00 0.00 175.55 175.02 1wn3 s ARG 97 N -2.27 3.41 -0.17 -0.62 3.52 0.13 -1.69 118.95 121.25 1wn3 s ARG 97 Ca 0.07 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 1wn3 s ARG 97 Cb -0.08 -2.78 0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1wn3 s ARG 97 CO 0.04 0.08 -0.10 0.08 -0.81 0.00 0.00 175.30 174.59 1wn3 s VAL 98 N 0.72 1.46 -0.12 7.11 1.01 0.47 -0.95 120.40 130.09 1wn3 s VAL 98 Ca -0.04 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 1wn3 s VAL 98 Cb -0.15 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1wn3 s VAL 98 CO 0.02 0.28 0.28 -1.61 0.00 0.00 0.00 175.10 174.07 1wn3 s GLU 99 N 1.50 4.05 -0.38 2.72 2.02 -0.79 -0.59 118.70 127.23 1wn3 s GLU 99 Ca 0.02 0.10 -0.12 0.00 0.02 0.00 0.00 54.97 54.99 1wn3 s GLU 99 Cb -0.15 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.76 1wn3 s GLU 99 CO -0.09 0.42 0.23 0.08 0.02 0.00 0.00 175.26 175.92 1wn3 s VAL 100 N -0.09 4.79 0.03 2.63 1.01 -0.26 -1.33 120.40 127.18 1wn3 s VAL 100 Ca 0.17 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1wn3 s VAL 100 Cb -0.13 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1wn3 s VAL 100 CO 0.05 -0.22 -0.22 -0.69 0.00 0.00 0.00 175.10 174.03 1wn3 s VAL 101 N 1.60 2.51 -0.04 2.92 1.01 -0.04 0.53 120.40 128.88 1wn3 s VAL 101 Ca 0.03 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.78 1wn3 s VAL 101 Cb -0.19 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.22 1wn3 s VAL 101 CO 0.08 0.39 0.07 -0.55 0.00 0.00 0.00 175.10 175.10 1wn3 s SER 102 N -1.22 0.79 -1.45 3.32 0.15 -0.38 -1.17 113.70 113.74 1wn3 s SER 102 Ca 0.13 0.12 -0.02 0.00 0.70 0.00 0.00 55.95 56.89 1wn3 s SER 102 Cb -0.10 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1wn3 s SER 102 CO 0.03 -0.22 0.26 -0.62 1.20 0.00 0.00 173.24 173.89 1wn3 n GLU 103 N 5.02 -2.18 -0.01 5.44 -0.58 -1.26 -0.71 120.64 126.36 1wn3 n GLU 103 Ca -0.10 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1wn3 n GLU 103 Cb 0.50 -4.07 0.00 0.00 -0.57 0.00 0.00 31.44 27.30 1wn3 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wn3 n GLY 104 N -2.23 2.75 3.87 0.62 0.00 -1.26 -5.01 105.19 103.93 1wn3 n GLY 104 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1wn3 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wn3 s LYS 105 N -0.00 3.59 -0.56 1.61 -0.14 0.11 -5.04 119.74 119.32 1wn3 s LYS 105 Ca 0.00 0.04 -0.27 0.00 -1.36 0.00 0.00 55.97 54.38 1wn3 s LYS 105 Cb 0.00 -3.19 0.03 0.00 -1.68 0.00 0.00 37.83 32.99 1wn3 s LYS 105 CO 0.00 0.74 1.10 -1.17 -0.76 0.00 0.00 175.35 175.27 1wn3 s LEU 106 N -1.10 3.68 0.06 3.17 2.96 -1.26 -1.25 118.68 124.93 1wn3 s LEU 106 Ca 0.19 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.12 1wn3 s LEU 106 Cb -0.13 -3.11 -0.25 0.00 0.50 0.00 0.00 46.19 43.20 1wn3 s LEU 106 CO 0.08 -1.37 1.05 0.58 -1.32 0.00 0.00 176.35 175.37 1wn3 h VAL 107 N 6.12 1.40 -2.56 1.68 2.07 -0.25 -3.41 116.25 121.30 1wn3 h VAL 107 Ca -0.25 -3.07 0.06 0.00 0.82 0.00 0.00 66.70 64.26 1wn3 h VAL 107 Cb 1.06 2.80 -0.14 0.00 -1.52 0.00 0.00 31.29 33.50 1wn3 h VAL 107 CO 1.15 0.86 0.38 0.00 0.02 0.00 0.00 177.57 179.97 1wn3 s ALA 108 N -2.66 -1.73 -0.11 1.67 0.00 -1.09 -1.33 121.76 116.52 1wn3 s ALA 108 Ca -0.04 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.75 1wn3 s ALA 108 Cb 0.08 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1wn3 s ALA 108 CO 0.85 -0.72 -0.17 -1.17 0.00 0.00 0.00 175.76 174.55 1wn3 s LEU 109 N -2.57 1.82 -0.06 0.00 2.96 0.05 -1.10 118.68 119.78 1wn3 s LEU 109 Ca 0.03 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1wn3 s LEU 109 Cb -0.01 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 1wn3 s LEU 109 CO -0.10 0.04 -0.16 0.12 -1.32 0.00 0.00 176.35 174.93 1wn3 s PHE 110 N 0.86 2.67 -0.08 5.38 2.19 0.24 -0.45 117.98 128.79 1wn3 s PHE 110 Ca -0.09 -0.29 -0.00 0.00 0.33 0.00 0.00 56.93 56.88 1wn3 s PHE 110 Cb -0.15 -1.65 0.02 0.00 -1.31 0.00 0.00 43.02 39.93 1wn3 s PHE 110 CO 0.00 0.08 -0.04 0.99 1.83 0.00 0.00 175.22 178.08 1wn3 s THR 111 N -0.52 0.65 0.02 0.12 2.01 -0.27 -0.39 115.64 117.25 1wn3 s THR 111 Ca 0.07 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 1wn3 s THR 111 Cb -0.12 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 1wn3 s THR 111 CO 0.01 0.29 0.00 -0.83 -0.69 0.00 0.00 174.62 173.41 1wn3 s GLY 112 N 1.56 0.19 -0.03 4.40 0.00 -0.68 0.06 107.32 112.82 1wn3 s GLY 112 Ca -0.00 -0.48 0.07 0.00 0.00 0.00 0.00 44.72 44.31 1wn3 s GLY 112 CO -0.04 -0.56 -0.24 -1.59 0.00 0.00 0.00 173.10 170.66 1wn3 s THR 113 N -1.40 1.95 0.25 0.90 2.01 0.01 -0.56 115.64 118.81 1wn3 s THR 113 Ca -0.15 -1.04 0.11 0.00 0.31 0.00 0.00 61.69 60.92 1wn3 s THR 113 Cb -0.09 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 1wn3 s THR 113 CO -0.00 0.55 -0.12 0.68 -0.69 0.00 0.00 174.62 175.03 1wn3 s VAL 114 N -0.40 2.90 -0.22 3.82 -7.23 0.87 -0.96 120.40 119.18 1wn3 s VAL 114 Ca 0.04 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.04 1wn3 s VAL 114 Cb -0.11 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1wn3 s VAL 114 CO 0.01 -0.32 0.08 0.12 -0.31 0.00 0.00 175.10 174.67 1wn3 s PHE 115 N -2.25 3.19 -0.14 2.82 2.19 0.63 -1.99 117.98 122.43 1wn3 s PHE 115 Ca 0.29 -0.08 -0.25 0.00 0.33 0.00 0.00 56.93 57.22 1wn3 s PHE 115 Cb -0.06 -2.17 -0.02 0.00 -1.31 0.00 0.00 43.02 39.46 1wn3 s PHE 115 CO 0.16 -0.05 0.79 1.03 1.83 0.00 0.00 175.22 178.99 1wn3 s ARG 116 N 0.93 4.34 0.00 10.12 0.52 0.12 -1.46 118.95 133.52 1wn3 s ARG 116 Ca 0.04 0.98 0.27 0.00 -0.52 0.00 0.00 55.73 56.50 1wn3 s ARG 116 Cb -0.14 -3.54 0.80 0.00 0.52 0.00 0.00 34.95 32.60 1wn3 s ARG 116 CO 0.03 -0.21 1.61 1.28 0.02 0.00 0.00 175.30 178.03