#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 5.03 0.26 6.15 -1.08 -1.26 -5.01 116.67 120.76 1wn3 s ASP 3 Ca 0.00 -1.70 -0.03 0.00 -0.52 0.00 0.00 52.55 50.31 1wn3 s ASP 3 Cb 0.00 -1.75 0.53 0.00 -1.46 0.00 0.00 42.92 40.24 1wn3 s ASP 3 CO 0.00 -0.39 1.70 -0.65 0.52 0.00 0.00 175.17 176.35 1wn3 h PRO 4 N 7.97 0.33 -0.48 4.34 0.11 -2.03 -1.09 132.00 141.16 1wn3 h PRO 4 Ca -0.16 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.80 1wn3 h PRO 4 Cb 1.05 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1wn3 h PRO 4 CO 0.60 0.22 -0.21 0.35 -0.21 0.00 0.00 178.00 178.75 1wn3 h PHE 5 N 0.34 1.11 -0.70 0.65 3.57 -1.99 -0.05 116.94 119.87 1wn3 h PHE 5 Ca 0.45 -0.27 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1wn3 h PHE 5 Cb 0.77 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1wn3 h PHE 5 CO -0.21 1.08 0.47 0.52 -2.23 0.00 0.00 178.31 177.94 1wn3 h MET 6 N 0.84 0.92 -0.38 1.11 2.86 -1.70 -1.55 114.93 117.03 1wn3 h MET 6 Ca 0.11 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1wn3 h MET 6 Cb 0.78 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1wn3 h MET 6 CO 0.07 0.61 0.12 0.93 1.06 0.00 0.00 176.91 179.70 1wn3 h GLU 7 N 0.95 0.58 -0.61 1.72 5.08 -0.87 0.09 114.58 121.53 1wn3 h GLU 7 Ca 0.26 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1wn3 h GLU 7 Cb -0.11 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1wn3 h GLU 7 CO -0.06 0.59 0.40 0.00 -1.00 0.00 0.00 179.01 178.95 1wn3 h ALA 8 N 0.97 1.84 -0.01 3.43 0.00 -0.67 -0.90 119.26 123.91 1wn3 h ALA 8 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wn3 h ALA 8 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1wn3 h ALA 8 CO -0.00 0.06 -0.06 1.28 0.00 0.00 0.00 179.25 180.52 1wn3 n LEU 9 N -4.48 1.40 -0.64 0.00 4.77 -0.61 -4.94 117.00 112.50 1wn3 n LEU 9 Ca 0.09 -0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 55.55 1wn3 n LEU 9 Cb 0.26 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1wn3 n LEU 9 CO 0.34 0.24 -0.08 0.61 -1.33 0.00 0.00 177.39 177.17 1wn3 n GLY 10 N 1.21 0.68 3.76 -0.72 0.00 -0.34 -4.83 105.19 104.95 1wn3 n GLY 10 Ca 0.17 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.79 4.49 -0.02 0.99 1.43 -0.07 -4.58 118.68 119.14 1wn3 s LEU 11 Ca 0.00 1.49 0.06 0.00 -1.03 0.00 0.00 54.13 54.65 1wn3 s LEU 11 Cb 0.00 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 1wn3 s LEU 11 CO 0.00 0.08 -0.20 -0.54 0.23 0.00 0.00 176.35 175.91 1wn3 s LYS 12 N -0.39 2.23 -0.30 1.70 -0.14 0.11 -4.51 119.74 118.44 1wn3 s LYS 12 Ca 0.37 -0.86 -0.24 0.00 -1.36 0.00 0.00 55.97 53.88 1wn3 s LYS 12 Cb -0.21 -2.19 0.00 0.00 -1.68 0.00 0.00 37.83 33.75 1wn3 s LYS 12 CO 0.24 0.58 0.82 0.08 -0.76 0.00 0.00 175.35 176.30 1wn3 s VAL 13 N -0.72 4.78 -0.13 3.17 1.01 -1.26 -0.43 120.40 126.81 1wn3 s VAL 13 Ca 0.11 1.30 0.18 0.00 0.00 0.00 0.00 61.98 63.57 1wn3 s VAL 13 Cb -0.10 -4.16 -0.15 0.00 0.00 0.00 0.00 36.38 31.97 1wn3 s VAL 13 CO 0.01 -0.24 0.76 0.18 0.00 0.00 0.00 175.10 175.81 1wn3 n LEU 14 N 6.22 0.73 -3.62 3.92 4.77 0.41 -4.97 117.00 124.47 1wn3 n LEU 14 Ca 0.05 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1wn3 n LEU 14 Cb 0.48 0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1wn3 n LEU 14 CO 0.50 0.13 0.55 -2.28 -1.33 0.00 0.00 177.39 174.97 1wn3 s HIS 15 N -2.98 -0.64 -0.09 -1.77 5.04 -1.07 -4.95 115.29 108.83 1wn3 s HIS 15 Ca -0.04 1.51 -0.04 0.00 -1.54 0.00 0.00 55.06 54.96 1wn3 s HIS 15 Cb 0.09 0.33 0.05 0.00 0.04 0.00 0.00 32.58 33.08 1wn3 s HIS 15 CO 0.82 -0.35 0.18 -1.17 -2.34 0.00 0.00 174.74 171.87 1wn3 s LEU 16 N 0.08 0.18 0.17 8.88 2.96 -1.26 -1.17 118.68 128.51 1wn3 s LEU 16 Ca -0.00 0.37 -0.09 0.00 -0.22 0.00 0.00 54.13 54.19 1wn3 s LEU 16 Cb -0.04 0.40 -0.01 0.00 0.50 0.00 0.00 46.19 47.03 1wn3 s LEU 16 CO -0.00 -0.21 0.28 0.00 -1.32 0.00 0.00 176.35 175.10 1wn3 s ALA 17 N 1.88 0.03 -0.33 5.97 0.00 -0.83 -5.01 121.76 123.47 1wn3 s ALA 17 Ca -0.02 -0.91 -0.41 0.00 0.00 0.00 0.00 51.96 50.62 1wn3 s ALA 17 Cb -0.12 0.88 -0.16 0.00 0.00 0.00 0.00 23.12 23.72 1wn3 s ALA 17 CO -0.06 -0.65 1.76 -2.30 0.00 0.00 0.00 175.76 174.50 1wn3 n PRO 18 N -0.22 0.93 -1.29 0.00 -0.02 -1.26 -0.31 135.00 132.83 1wn3 n PRO 18 Ca -0.07 0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.65 1wn3 n PRO 18 Cb 0.63 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 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 4.38 1.07 3.15 -1.23 0.00 -1.25 -4.98 105.19 106.34 1wn3 n GLY 19 Ca 0.29 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1wn3 n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wn3 s GLU 20 N -2.66 0.64 -0.17 1.61 2.12 0.57 -3.27 118.70 117.55 1wn3 s GLU 20 Ca 0.00 -0.65 -0.29 0.00 0.36 0.00 0.00 54.97 54.38 1wn3 s GLU 20 Cb 0.00 0.26 0.11 0.00 0.26 0.00 0.00 34.13 34.76 1wn3 s GLU 20 CO 0.00 -0.17 0.92 0.00 -0.54 0.00 0.00 175.26 175.46 1wn3 s ALA 21 N -2.48 -1.89 -0.07 6.30 0.00 -1.13 -1.96 121.76 120.52 1wn3 s ALA 21 Ca -0.06 1.61 0.01 0.00 0.00 0.00 0.00 51.96 53.53 1wn3 s ALA 21 Cb -0.02 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1wn3 s ALA 21 CO -0.04 -0.31 -0.10 0.08 0.00 0.00 0.00 175.76 175.40 1wn3 s VAL 22 N -0.78 0.98 -0.03 0.00 1.01 -0.32 -0.81 120.40 120.46 1wn3 s VAL 22 Ca -0.03 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1wn3 s VAL 22 Cb -0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1wn3 s VAL 22 CO 0.02 0.33 -0.18 -0.69 0.00 0.00 0.00 175.10 174.58 1wn3 s VAL 23 N 0.94 1.45 0.18 2.92 1.01 -0.70 -0.44 120.40 125.76 1wn3 s VAL 23 Ca -0.10 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1wn3 s VAL 23 Cb -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1wn3 s VAL 23 CO 0.01 0.41 -0.13 0.00 0.00 0.00 0.00 175.10 175.39 1wn3 s ALA 24 N -0.15 1.79 0.07 5.51 0.00 0.43 -0.19 121.76 129.22 1wn3 s ALA 24 Ca 0.00 -1.56 -0.07 0.00 0.00 0.00 0.00 51.96 50.33 1wn3 s ALA 24 Cb -0.10 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1wn3 s ALA 24 CO 0.01 0.03 0.35 0.41 0.00 0.00 0.00 175.76 176.56 1wn3 n GLY 25 N -0.20 1.11 2.90 0.00 0.00 -0.21 0.04 105.19 108.83 1wn3 n GLY 25 Ca -0.10 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.02 0.39 -0.05 1.61 2.12 -1.26 -1.64 118.70 117.84 1wn3 s GLU 26 Ca 0.08 -0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.02 1wn3 s GLU 26 Cb -0.01 -0.43 -0.05 0.00 0.26 0.00 0.00 34.13 33.90 1wn3 s GLU 26 CO 0.02 0.01 1.55 0.08 -0.54 0.00 0.00 175.26 176.38 1wn3 s VAL 27 N 0.31 3.68 0.50 3.70 1.01 -0.36 -4.92 120.40 124.31 1wn3 s VAL 27 Ca -0.03 0.89 0.06 0.00 0.00 0.00 0.00 61.98 62.90 1wn3 s VAL 27 Cb -0.06 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1wn3 s VAL 27 CO -0.01 -0.06 0.39 -0.13 0.00 0.00 0.00 175.10 175.29 1wn3 s ARG 28 N 3.58 2.32 0.41 2.72 0.52 -1.26 -0.25 118.95 126.98 1wn3 s ARG 28 Ca 0.69 -1.88 0.08 0.00 -0.52 0.00 0.00 55.73 54.10 1wn3 s ARG 28 Cb -0.32 -2.17 0.87 0.00 0.52 0.00 0.00 34.95 33.85 1wn3 s ARG 28 CO 0.27 -0.47 2.04 0.00 0.02 0.00 0.00 175.30 177.16 1wn3 h ALA 29 N 0.87 1.69 0.00 2.13 0.00 -1.98 -1.70 119.26 120.27 1wn3 h ALA 29 Ca -0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1wn3 h ALA 29 Cb 1.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wn3 h ALA 29 CO 0.58 0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.70 1wn3 n ASP 30 N -4.45 0.00 -0.78 0.00 5.75 -1.26 -3.14 116.55 112.66 1wn3 n ASP 30 Ca 0.02 -0.82 0.09 0.00 -0.01 0.00 0.00 54.79 54.08 1wn3 n ASP 30 Cb 0.09 -0.05 0.09 0.00 -1.03 0.00 0.00 41.12 40.22 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 -1.05 0.05 -2.35 2.11 8.25 -0.64 -5.01 115.22 116.59 1wn3 n HIS 31 Ca 0.21 -0.03 -0.31 0.00 -0.26 0.00 0.00 57.72 57.33 1wn3 n HIS 31 Cb 0.13 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.54 3.53 0.00 2.41 1.43 -1.19 -0.42 118.68 122.91 1wn3 s LEU 32 Ca 0.23 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1wn3 s LEU 32 Cb 0.16 -4.30 0.01 0.00 0.03 0.00 0.00 46.19 42.09 1wn3 s LEU 32 CO 0.24 -0.64 0.06 -0.46 0.23 0.00 0.00 176.35 175.78 1wn3 n ASN 33 N -2.02 0.15 0.28 2.29 0.23 0.15 -4.61 115.26 111.73 1wn3 n ASN 33 Ca 0.05 -1.11 0.16 0.00 -0.53 0.00 0.00 54.58 53.14 1wn3 n ASN 33 Cb 0.54 -0.03 0.79 0.00 -2.08 0.00 0.00 39.78 39.00 1wn3 n ASN 33 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1wn3 h LEU 34 N 0.00 0.00 -0.48 -4.53 3.38 -1.99 -2.84 115.31 108.85 1wn3 h LEU 34 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1wn3 h LEU 34 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wn3 h LEU 34 CO 0.03 0.07 -0.11 1.41 0.09 0.00 0.00 178.44 179.93 1wn3 n HIS 35 N -3.35 0.00 -0.50 1.13 8.25 -1.26 -4.92 115.22 114.57 1wn3 n HIS 35 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1wn3 n HIS 35 Cb 0.24 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 1.24 0.75 3.58 -1.41 0.00 -1.07 -5.07 105.19 103.21 1wn3 n GLY 36 Ca 0.16 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 2.53 0.06 2.61 -4.23 -1.26 -4.39 115.64 108.95 1wn3 s THR 37 Ca 0.00 -2.11 -0.35 0.00 -1.18 0.00 0.00 61.69 58.05 1wn3 s THR 37 Cb 0.00 -2.68 -0.14 0.00 1.34 0.00 0.00 72.50 71.02 1wn3 s THR 37 CO 0.00 -0.24 1.63 0.00 -0.54 0.00 0.00 174.62 175.47 1wn3 n ALA 38 N -0.85 0.77 -1.78 3.99 0.00 0.14 -0.67 120.51 122.10 1wn3 n ALA 38 Ca -0.05 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1wn3 n ALA 38 Cb 0.62 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.72 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 1.83 2.87 0.59 0.00 2.46 0.44 -4.72 115.29 118.76 1wn3 s HIS 39 Ca 0.85 1.28 0.29 0.00 0.47 0.00 0.00 55.06 57.95 1wn3 s HIS 39 Cb -0.75 -3.82 1.61 0.00 -0.13 0.00 0.00 32.58 29.49 1wn3 s HIS 39 CO 0.45 -2.37 2.05 0.78 -2.47 0.00 0.00 174.74 173.17 1wn3 h GLY 40 N 3.40 0.00 1.80 1.59 0.00 -1.90 0.04 103.07 107.99 1wn3 h GLY 40 Ca -0.49 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 1wn3 h GLY 40 CO 0.66 0.00 -0.61 -1.33 0.00 0.00 0.00 176.54 175.26 1wn3 h GLY 41 N 0.00 0.22 0.56 4.60 0.00 -1.94 -1.70 103.07 104.81 1wn3 h GLY 41 Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1wn3 h GLY 41 CO -0.00 0.25 -0.03 -2.75 0.00 0.00 0.00 176.54 174.01 1wn3 h PHE 42 N 0.15 -0.07 -0.67 5.60 3.57 -1.30 0.06 116.94 124.28 1wn3 h PHE 42 Ca -0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1wn3 h PHE 42 Cb 1.11 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 1wn3 h PHE 42 CO 0.02 0.36 0.43 -0.07 -2.23 0.00 0.00 178.31 176.81 1wn3 h LEU 43 N -0.51 0.71 -0.46 0.59 3.38 -1.54 -1.11 115.31 116.36 1wn3 h LEU 43 Ca -0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1wn3 h LEU 43 Cb 0.45 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1wn3 h LEU 43 CO 0.01 0.50 0.22 0.22 0.09 0.00 0.00 178.44 179.47 1wn3 h TYR 44 N 0.84 0.68 -0.97 1.13 5.03 -1.27 -1.66 116.97 120.74 1wn3 h TYR 44 Ca 0.26 -0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.61 1wn3 h TYR 44 Cb -0.01 -0.21 -0.07 0.00 1.55 0.00 0.00 36.73 37.99 1wn3 h TYR 44 CO -0.04 0.55 0.62 0.00 -1.32 0.00 0.00 178.16 177.97 1wn3 h ALA 45 N 1.06 1.48 0.22 1.82 0.00 -0.31 0.48 119.26 124.01 1wn3 h ALA 45 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1wn3 h ALA 45 Cb 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wn3 h ALA 45 CO -0.02 0.36 -0.10 1.25 0.00 0.00 0.00 179.25 180.74 1wn3 h LEU 46 N 1.08 -0.25 -0.59 0.00 5.85 -0.84 -0.52 115.31 120.05 1wn3 h LEU 46 Ca 0.43 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1wn3 h LEU 46 Cb 0.25 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1wn3 h LEU 46 CO -0.18 0.06 0.37 0.00 -0.34 0.00 0.00 178.44 178.36 1wn3 h ALA 47 N 0.13 0.75 -0.73 1.25 0.00 -0.78 -2.39 119.26 117.49 1wn3 h ALA 47 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1wn3 h ALA 47 Cb 0.42 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1wn3 h ALA 47 CO 0.05 0.13 0.38 0.22 0.00 0.00 0.00 179.25 180.03 1wn3 h ASP 48 N 0.75 0.92 -0.30 0.00 3.58 -0.01 -1.67 116.42 119.68 1wn3 h ASP 48 Ca 0.23 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 1wn3 h ASP 48 Cb -0.03 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.77 1wn3 h ASP 48 CO -0.07 0.76 0.14 0.28 -2.88 0.00 0.00 179.24 177.47 1wn3 h SER 49 N 1.03 0.40 -0.76 2.28 0.02 -0.58 0.10 113.55 116.04 1wn3 h SER 49 Ca 0.26 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1wn3 h SER 49 Cb 0.06 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1wn3 h SER 49 CO -0.04 0.43 0.32 0.00 -1.14 0.00 0.00 176.83 176.40 1wn3 h ALA 50 N 0.99 1.10 -0.20 3.77 0.00 -1.26 -1.15 119.26 122.52 1wn3 h ALA 50 Ca 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1wn3 h ALA 50 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wn3 h ALA 50 CO -0.01 0.65 0.11 0.35 0.00 0.00 0.00 179.25 180.35 1wn3 h PHE 51 N 1.12 0.27 -0.55 0.00 3.57 -0.95 -0.72 116.94 119.68 1wn3 h PHE 51 Ca 0.26 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1wn3 h PHE 51 Cb 0.19 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1wn3 h PHE 51 CO 0.02 0.23 0.24 0.00 -2.23 0.00 0.00 178.31 176.57 1wn3 h ALA 52 N 1.02 0.71 -0.09 2.41 0.00 -0.46 -1.43 119.26 121.41 1wn3 h ALA 52 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wn3 h ALA 52 Cb 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1wn3 h ALA 52 CO -0.01 0.30 0.00 -0.07 0.00 0.00 0.00 179.25 179.47 1wn3 h LEU 53 N 0.74 0.16 -0.36 0.00 3.38 -1.07 -2.25 115.31 115.92 1wn3 h LEU 53 Ca 0.19 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1wn3 h LEU 53 Cb 0.16 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1wn3 h LEU 53 CO -0.02 0.41 0.22 0.00 0.09 0.00 0.00 178.44 179.14 1wn3 h ALA 54 N 0.75 0.45 -0.14 1.53 0.00 -1.08 -2.78 119.26 117.98 1wn3 h ALA 54 Ca 0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1wn3 h ALA 54 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wn3 h ALA 54 CO 0.00 -0.05 -0.17 0.66 0.00 0.00 0.00 179.25 179.69 1wn3 h SER 55 N 0.47 0.22 0.46 0.00 4.64 -1.27 -2.75 113.55 115.31 1wn3 h SER 55 Ca 0.13 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1wn3 h SER 55 Cb -0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1wn3 h SER 55 CO -0.02 0.41 -0.04 0.59 -0.87 0.00 0.00 176.83 176.89 1wn3 n ASN 56 N -4.24 0.16 0.17 4.97 3.02 -0.85 -2.99 115.26 115.50 1wn3 n ASN 56 Ca -0.01 -0.35 0.13 0.00 -0.03 0.00 0.00 54.58 54.32 1wn3 n ASN 56 Cb 0.29 -0.19 0.47 0.00 -0.61 0.00 0.00 39.78 39.75 1wn3 n ASN 56 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1wn3 h THR 57 N 0.19 0.00 0.00 3.41 1.35 -1.29 -2.25 112.91 114.32 1wn3 h THR 57 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1wn3 h THR 57 Cb 0.29 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1wn3 h THR 57 CO 0.00 0.00 -0.54 0.54 -0.25 0.00 0.00 175.52 175.27 1wn3 n ARG 58 N -2.55 0.03 0.00 4.72 5.12 -1.16 -4.80 116.66 118.01 1wn3 n ARG 58 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1wn3 n ARG 58 Cb 0.34 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 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 1.49 3.47 3.66 -0.13 0.00 -0.84 -5.06 105.19 107.78 1wn3 n GLY 59 Ca 0.05 -1.79 -0.52 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.61 1.47 -3.93 1.61 -0.04 -1.26 -4.25 135.00 126.98 1wn3 n PRO 60 Ca 0.00 0.53 -0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1wn3 n PRO 60 Cb 0.00 -2.24 -0.11 0.00 -0.04 0.00 0.00 33.50 31.11 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 2.23 -0.05 -0.01 0.55 0.00 -1.26 -1.41 121.76 121.81 1wn3 s ALA 61 Ca 0.90 -0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.56 1wn3 s ALA 61 Cb -0.91 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 1wn3 s ALA 61 CO 0.53 -0.16 -0.22 0.14 0.00 0.00 0.00 175.76 176.05 1wn3 s VAL 62 N -1.26 1.76 0.32 0.00 -7.23 -0.54 -4.88 120.40 108.57 1wn3 s VAL 62 Ca -0.14 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.77 1wn3 s VAL 62 Cb -0.08 -1.47 -0.10 0.00 0.56 0.00 0.00 36.38 35.29 1wn3 s VAL 62 CO -0.00 0.48 1.39 0.00 -0.31 0.00 0.00 175.10 176.66 1wn3 s ALA 63 N -0.54 3.55 -0.03 1.32 0.00 -1.26 0.15 121.76 124.95 1wn3 s ALA 63 Ca 0.09 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 53.36 1wn3 s ALA 63 Cb -0.09 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 1wn3 s ALA 63 CO -0.01 -0.78 -0.10 1.28 0.00 0.00 0.00 175.76 176.16 1wn3 n LEU 64 N 1.09 0.86 -3.92 0.00 4.77 -0.07 -4.82 117.00 114.92 1wn3 n LEU 64 Ca 0.02 0.13 -0.18 0.00 -0.03 0.00 0.00 56.01 55.95 1wn3 n LEU 64 Cb 0.41 -0.42 -0.16 0.00 -2.33 0.00 0.00 43.42 40.92 1wn3 n LEU 64 CO 0.61 -0.50 -0.41 -0.55 -1.33 0.00 0.00 177.39 175.21 1wn3 s SER 65 N -5.30 0.79 0.01 -1.43 0.15 -1.20 -5.02 113.70 101.70 1wn3 s SER 65 Ca -0.08 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.50 1wn3 s SER 65 Cb 0.01 -0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.03 1wn3 s SER 65 CO 0.12 -0.01 -0.13 0.00 1.20 0.00 0.00 173.24 174.42 1wn3 s ARG 67 N -0.70 2.40 -0.12 0.00 3.52 0.14 -4.97 118.95 119.22 1wn3 s ARG 67 Ca 0.03 -0.91 0.01 0.00 -0.13 0.00 0.00 55.73 54.73 1wn3 s ARG 67 Cb -0.06 -2.12 0.02 0.00 -1.56 0.00 0.00 34.95 31.22 1wn3 s ARG 67 CO 0.00 0.44 -0.16 1.41 -0.81 0.00 0.00 175.30 176.19 1wn3 s MET 68 N -0.31 2.33 -0.17 5.12 -2.45 -1.26 -1.22 119.30 121.33 1wn3 s MET 68 Ca 0.01 -0.59 -0.01 0.00 -1.25 0.00 0.00 55.69 53.84 1wn3 s MET 68 Cb -0.13 -2.00 -0.01 0.00 1.25 0.00 0.00 34.83 33.95 1wn3 s MET 68 CO 0.02 -0.10 -0.11 -0.51 1.05 0.00 0.00 175.02 175.37 1wn3 s ASP 69 N 1.08 3.95 -0.18 1.11 1.01 -0.13 -4.99 116.67 118.52 1wn3 s ASP 69 Ca -0.04 -0.41 -0.12 0.00 0.71 0.00 0.00 52.55 52.69 1wn3 s ASP 69 Cb -0.14 -1.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.11 1wn3 s ASP 69 CO -0.04 0.07 0.23 -0.31 0.21 0.00 0.00 175.17 175.34 1wn3 s TYR 70 N 0.91 3.42 -0.10 4.23 2.02 -1.26 -1.39 117.35 125.19 1wn3 s TYR 70 Ca -0.02 0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 57.13 1wn3 s TYR 70 Cb -0.15 -2.29 -0.05 0.00 -0.40 0.00 0.00 41.96 39.07 1wn3 s TYR 70 CO -0.01 0.22 -0.10 1.19 -1.57 0.00 0.00 175.55 175.28 1wn3 n PHE 71 N 3.70 0.00 -4.42 2.71 3.72 -0.57 -5.00 117.46 117.60 1wn3 n PHE 71 Ca -0.13 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.06 1wn3 n PHE 71 Cb 0.52 -0.36 -0.15 0.00 -0.94 0.00 0.00 39.48 38.55 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 -2.19 0.95 0.43 -1.08 0.52 -0.90 -5.05 118.95 111.64 1wn3 s ARG 72 Ca -0.13 -0.34 -0.18 0.00 -0.52 0.00 0.00 55.73 54.57 1wn3 s ARG 72 Cb 0.04 -0.90 -0.09 0.00 0.52 0.00 0.00 34.95 34.52 1wn3 s ARG 72 CO 0.20 0.15 0.90 -1.25 0.02 0.00 0.00 175.30 175.32 1wn3 s PRO 73 N 0.05 4.06 0.03 3.54 0.04 -1.26 -4.83 135.00 136.63 1wn3 s PRO 73 Ca -0.01 0.92 0.06 0.00 0.04 0.00 0.00 61.00 62.01 1wn3 s PRO 73 Cb -0.07 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1wn3 s PRO 73 CO 0.00 -0.06 -0.18 -0.51 0.04 0.00 0.00 177.00 176.29 1wn3 s LEU 74 N -3.46 2.14 0.41 -3.56 1.43 -1.26 -5.00 118.68 109.38 1wn3 s LEU 74 Ca 0.59 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 1wn3 s LEU 74 Cb -0.10 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1wn3 s LEU 74 CO 0.21 0.13 0.53 -0.83 0.23 0.00 0.00 176.35 176.61 1wn3 s GLY 75 N -1.01 1.96 0.51 -3.19 0.00 -1.26 0.24 107.32 104.56 1wn3 s GLY 75 Ca 0.05 -1.69 -0.23 0.00 0.00 0.00 0.00 44.72 42.85 1wn3 s GLY 75 CO 0.01 -1.52 1.33 0.00 0.00 0.00 0.00 173.10 172.92 1wn3 n ALA 76 N -1.78 1.52 0.00 3.20 0.00 -1.26 -2.38 120.51 119.81 1wn3 n ALA 76 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1wn3 n ALA 76 Cb 0.59 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 0.77 2.30 3.73 0.00 0.00 0.65 -4.99 105.19 107.66 1wn3 n GLY 77 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.40 3.52 -0.00 4.61 0.00 -1.00 -4.77 121.76 121.71 1wn3 s ALA 78 Ca 0.00 1.07 -0.22 0.00 0.00 0.00 0.00 51.96 52.82 1wn3 s ALA 78 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1wn3 s ALA 78 CO 0.00 -0.53 0.63 1.03 0.00 0.00 0.00 175.76 176.90 1wn3 s ARG 79 N 0.23 4.36 0.03 0.00 0.52 -1.26 -1.23 118.95 121.60 1wn3 s ARG 79 Ca 0.58 0.80 0.01 0.00 -0.52 0.00 0.00 55.73 56.60 1wn3 s ARG 79 Cb -0.36 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 1wn3 s ARG 79 CO 0.36 0.32 -0.04 0.54 0.02 0.00 0.00 175.30 176.49 1wn3 s VAL 80 N -0.06 0.24 -0.01 3.52 0.11 -0.65 -4.40 120.40 119.15 1wn3 s VAL 80 Ca 0.33 -1.04 -0.07 0.00 -2.93 0.00 0.00 61.98 58.26 1wn3 s VAL 80 Cb -0.19 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 1wn3 s VAL 80 CO 0.18 -0.52 0.15 -1.83 -3.33 0.00 0.00 175.10 169.76 1wn3 s GLU 81 N -1.73 0.44 -0.12 1.54 4.04 -0.50 -1.04 118.70 121.34 1wn3 s GLU 81 Ca -0.12 -0.27 0.02 0.00 0.04 0.00 0.00 54.97 54.63 1wn3 s GLU 81 Cb -0.08 0.19 0.01 0.00 0.02 0.00 0.00 34.13 34.27 1wn3 s GLU 81 CO -0.01 -0.10 -0.16 0.00 -1.84 0.00 0.00 175.26 173.14 1wn3 s ALA 82 N -1.11 1.80 -0.28 -0.84 0.00 0.74 -0.88 121.76 121.19 1wn3 s ALA 82 Ca -0.12 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 1wn3 s ALA 82 Cb -0.06 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 1wn3 s ALA 82 CO 0.01 -0.10 0.07 0.50 0.00 0.00 0.00 175.76 176.25 1wn3 s ARG 83 N 1.00 3.30 -0.20 0.00 6.06 -0.73 -1.71 118.95 126.67 1wn3 s ARG 83 Ca -0.06 -0.71 -0.13 0.00 -2.50 0.00 0.00 55.73 52.34 1wn3 s ARG 83 Cb -0.15 -3.34 -0.05 0.00 0.06 0.00 0.00 34.95 31.48 1wn3 s ARG 83 CO -0.02 -0.34 0.25 0.00 -2.50 0.00 0.00 175.30 172.68 1wn3 s ALA 84 N 1.54 3.61 0.05 6.12 0.00 0.01 -2.14 121.76 130.95 1wn3 s ALA 84 Ca 0.04 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.41 1wn3 s ALA 84 Cb -0.16 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 1wn3 s ALA 84 CO 0.03 -0.08 -0.18 0.14 0.00 0.00 0.00 175.76 175.66 1wn3 s VAL 85 N 0.84 1.46 -0.29 0.00 -7.23 0.38 -2.85 120.40 112.71 1wn3 s VAL 85 Ca 0.13 -1.18 -0.26 0.00 -1.81 0.00 0.00 61.98 58.86 1wn3 s VAL 85 Cb -0.13 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1wn3 s VAL 85 CO 0.04 0.08 0.90 -0.70 -0.31 0.00 0.00 175.10 175.11 1wn3 s GLU 86 N -1.29 4.07 -0.12 4.82 2.12 -1.20 -0.49 118.70 126.61 1wn3 s GLU 86 Ca 0.05 0.88 0.18 0.00 0.36 0.00 0.00 54.97 56.44 1wn3 s GLU 86 Cb -0.09 -3.70 -0.26 0.00 0.26 0.00 0.00 34.13 30.34 1wn3 s GLU 86 CO 0.02 -0.70 0.29 1.33 -0.54 0.00 0.00 175.26 175.67 1wn3 n VAL 87 N 5.54 1.05 -3.74 3.70 0.24 -0.31 -4.95 118.33 119.86 1wn3 n VAL 87 Ca 0.07 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.34 61.50 1wn3 n VAL 87 Cb 0.47 -0.42 -0.11 0.00 -1.47 0.00 0.00 33.84 32.31 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 -5.33 -0.38 -0.24 -1.34 2.47 -1.07 -4.99 114.94 104.06 1wn3 s ASN 88 Ca -0.08 0.71 -0.01 0.00 0.42 0.00 0.00 52.86 53.90 1wn3 s ASN 88 Cb 0.08 0.67 0.07 0.00 -1.45 0.00 0.00 41.25 40.63 1wn3 s ASN 88 CO 0.85 -0.14 0.03 -0.22 -3.72 0.00 0.00 177.10 173.89 1wn3 s LEU 89 N 0.58 2.01 0.50 3.21 2.96 -1.26 -1.26 118.68 125.42 1wn3 s LEU 89 Ca -0.03 -1.20 0.07 0.00 -0.22 0.00 0.00 54.13 52.74 1wn3 s LEU 89 Cb -0.05 -0.88 0.02 0.00 0.50 0.00 0.00 46.19 45.78 1wn3 s LEU 89 CO -0.03 -0.32 0.42 -0.44 -1.32 0.00 0.00 176.35 174.66 1wn3 s SER 90 N 1.62 4.79 0.23 3.68 0.01 0.11 -5.01 113.70 119.13 1wn3 s SER 90 Ca 0.01 -1.04 0.04 0.00 1.31 0.00 0.00 55.95 56.27 1wn3 s SER 90 Cb -0.18 0.04 0.23 0.00 0.21 0.00 0.00 66.02 66.33 1wn3 s SER 90 CO -0.12 -0.95 1.55 0.03 0.41 0.00 0.00 173.24 174.15 1wn3 h ARG 91 N 0.82 0.25 0.00 12.44 3.08 -2.00 -3.33 114.38 125.65 1wn3 h ARG 91 Ca -0.38 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.50 1wn3 h ARG 91 Cb 1.29 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1wn3 h ARG 91 CO 0.56 0.78 -1.32 0.54 -1.07 0.00 0.00 179.97 179.47 1wn3 n ARG 92 N -3.87 1.10 -3.99 0.04 3.00 -1.26 -4.77 116.66 106.90 1wn3 n ARG 92 Ca -0.02 -0.09 -0.09 0.00 -0.01 0.00 0.00 57.85 57.64 1wn3 n ARG 92 Cb 0.62 -1.26 -0.08 0.00 0.00 0.00 0.00 32.46 31.74 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 -2.73 0.10 -0.05 0.55 -4.23 -1.25 0.29 115.64 108.31 1wn3 s THR 93 Ca -0.02 -1.50 -0.18 0.00 -1.18 0.00 0.00 61.69 58.81 1wn3 s THR 93 Cb 0.09 -1.77 0.04 0.00 1.34 0.00 0.00 72.50 72.20 1wn3 s THR 93 CO 0.56 -0.46 0.40 0.00 -0.54 0.00 0.00 174.62 174.58 1wn3 s ALA 94 N -3.96 -1.02 -0.02 3.99 0.00 -1.03 0.09 121.76 119.81 1wn3 s ALA 94 Ca 0.16 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1wn3 s ALA 94 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1wn3 s ALA 94 CO -0.03 -0.27 -0.15 0.99 0.00 0.00 0.00 175.76 176.31 1wn3 s THR 95 N -0.94 1.18 0.09 0.00 2.01 -0.39 -0.27 115.64 117.32 1wn3 s THR 95 Ca -0.10 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.34 1wn3 s THR 95 Cb -0.04 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1wn3 s THR 95 CO 0.04 0.34 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.83 1wn3 s TYR 96 N -0.26 1.46 -0.14 4.92 1.51 0.68 -1.16 117.35 124.37 1wn3 s TYR 96 Ca 0.04 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1wn3 s TYR 96 Cb -0.07 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1wn3 s TYR 96 CO -0.00 0.12 -0.02 0.50 -1.11 0.00 0.00 175.55 175.04 1wn3 s ARG 97 N -1.87 3.51 -0.20 -0.62 3.52 0.35 -1.60 118.95 122.05 1wn3 s ARG 97 Ca 0.02 -0.47 -0.00 0.00 -0.13 0.00 0.00 55.73 55.15 1wn3 s ARG 97 Cb -0.10 -2.91 0.05 0.00 -1.56 0.00 0.00 34.95 30.44 1wn3 s ARG 97 CO 0.03 0.37 -0.05 0.08 -0.81 0.00 0.00 175.30 174.92 1wn3 s VAL 98 N 0.03 1.29 -0.12 7.11 1.01 0.67 -0.47 120.40 129.92 1wn3 s VAL 98 Ca 0.01 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 1wn3 s VAL 98 Cb -0.13 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1wn3 s VAL 98 CO 0.02 0.00 0.44 -1.61 0.00 0.00 0.00 175.10 173.96 1wn3 s GLU 99 N 1.53 4.32 -0.27 2.72 2.02 -0.91 -0.58 118.70 127.52 1wn3 s GLU 99 Ca -0.02 0.39 -0.08 0.00 0.02 0.00 0.00 54.97 55.27 1wn3 s GLU 99 Cb -0.17 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.61 1wn3 s GLU 99 CO -0.07 0.18 0.11 0.08 0.02 0.00 0.00 175.26 175.58 1wn3 s VAL 100 N 0.56 4.48 0.18 2.63 1.01 0.06 -1.78 120.40 127.55 1wn3 s VAL 100 Ca 0.24 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.05 1wn3 s VAL 100 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1wn3 s VAL 100 CO 0.09 0.24 -0.13 0.68 0.00 0.00 0.00 175.10 175.98 1wn3 s VAL 101 N 1.62 1.55 -0.17 2.92 -7.23 -0.05 0.38 120.40 119.42 1wn3 s VAL 101 Ca 0.06 -2.14 -0.07 0.00 -1.81 0.00 0.00 61.98 58.02 1wn3 s VAL 101 Cb -0.16 -1.96 0.07 0.00 0.56 0.00 0.00 36.38 34.89 1wn3 s VAL 101 CO 0.05 -0.63 0.37 -0.55 -0.31 0.00 0.00 175.10 174.03 1wn3 s SER 102 N -3.23 -0.16 -1.41 4.85 0.15 -0.50 -1.41 113.70 112.00 1wn3 s SER 102 Ca 0.20 0.84 -0.07 0.00 0.70 0.00 0.00 55.95 57.63 1wn3 s SER 102 Cb -0.00 1.01 0.04 0.00 -1.71 0.00 0.00 66.02 65.36 1wn3 s SER 102 CO 0.05 -0.22 0.88 -0.62 1.20 0.00 0.00 173.24 174.53 1wn3 n GLU 103 N 5.07 -5.53 -0.88 5.44 -0.58 -1.26 -1.39 120.64 121.51 1wn3 n GLU 103 Ca -0.12 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 1wn3 n GLU 103 Cb 0.51 -5.40 0.00 0.00 -0.57 0.00 0.00 31.44 25.97 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 -1.65 0.43 3.64 0.62 0.00 -1.26 -5.00 105.19 101.97 1wn3 n GLY 104 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.64 2.95 -0.49 1.61 1.02 -0.49 -5.06 119.74 118.65 1wn3 s LYS 105 Ca 0.00 -0.46 -0.28 0.00 0.02 0.00 0.00 55.97 55.25 1wn3 s LYS 105 Cb 0.00 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1wn3 s LYS 105 CO 0.00 0.66 1.39 -1.17 -0.92 0.00 0.00 175.35 175.31 1wn3 s LEU 106 N -0.78 3.50 0.04 3.17 2.96 -1.26 -1.41 118.68 124.90 1wn3 s LEU 106 Ca 0.12 0.54 0.05 0.00 -0.22 0.00 0.00 54.13 54.62 1wn3 s LEU 106 Cb -0.11 -3.32 -0.24 0.00 0.50 0.00 0.00 46.19 43.02 1wn3 s LEU 106 CO 0.02 -1.55 0.98 0.58 -1.32 0.00 0.00 176.35 175.06 1wn3 h VAL 107 N 6.41 1.30 -2.51 1.68 2.07 -0.41 -3.41 116.25 121.37 1wn3 h VAL 107 Ca -0.27 -3.03 0.05 0.00 0.82 0.00 0.00 66.70 64.28 1wn3 h VAL 107 Cb 1.09 2.70 -0.15 0.00 -1.52 0.00 0.00 31.29 33.42 1wn3 h VAL 107 CO 1.13 0.79 0.37 0.00 0.02 0.00 0.00 177.57 179.89 1wn3 s ALA 108 N -2.65 -1.74 -0.07 1.67 0.00 -0.97 -1.51 121.76 116.49 1wn3 s ALA 108 Ca -0.04 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.80 1wn3 s ALA 108 Cb 0.08 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.74 1wn3 s ALA 108 CO 0.83 -0.69 -0.15 -1.17 0.00 0.00 0.00 175.76 174.59 1wn3 s LEU 109 N -2.46 1.76 -0.02 0.00 2.96 -0.48 -0.76 118.68 119.68 1wn3 s LEU 109 Ca 0.02 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.65 1wn3 s LEU 109 Cb -0.01 -0.95 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 1wn3 s LEU 109 CO -0.09 0.07 -0.24 0.12 -1.32 0.00 0.00 176.35 174.89 1wn3 s PHE 110 N 0.53 2.18 -0.07 5.38 2.19 0.25 -0.95 117.98 127.49 1wn3 s PHE 110 Ca -0.14 -0.41 0.01 0.00 0.33 0.00 0.00 56.93 56.72 1wn3 s PHE 110 Cb -0.16 -1.40 0.02 0.00 -1.31 0.00 0.00 43.02 40.17 1wn3 s PHE 110 CO 0.05 -0.04 -0.08 0.99 1.83 0.00 0.00 175.22 177.97 1wn3 s THR 111 N -0.57 0.84 0.00 0.12 2.01 -0.36 -0.24 115.64 117.45 1wn3 s THR 111 Ca 0.09 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 1wn3 s THR 111 Cb -0.09 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 1wn3 s THR 111 CO -0.01 0.30 0.04 -0.83 -0.69 0.00 0.00 174.62 173.44 1wn3 s GLY 112 N 1.01 0.09 -0.01 4.40 0.00 -0.62 0.25 107.32 112.43 1wn3 s GLY 112 Ca -0.09 -0.21 0.08 0.00 0.00 0.00 0.00 44.72 44.50 1wn3 s GLY 112 CO -0.00 -0.28 -0.24 -1.59 0.00 0.00 0.00 173.10 170.99 1wn3 s THR 113 N -0.91 1.91 0.29 0.90 2.01 -0.36 -0.23 115.64 119.26 1wn3 s THR 113 Ca -0.10 -1.06 0.11 0.00 0.31 0.00 0.00 61.69 60.95 1wn3 s THR 113 Cb -0.06 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 1wn3 s THR 113 CO 0.00 0.52 -0.14 0.68 -0.69 0.00 0.00 174.62 175.00 1wn3 s VAL 114 N -0.59 2.59 -0.23 3.82 -7.23 0.63 -0.89 120.40 118.49 1wn3 s VAL 114 Ca 0.09 -2.27 -0.08 0.00 -1.81 0.00 0.00 61.98 57.92 1wn3 s VAL 114 Cb -0.09 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 1wn3 s VAL 114 CO -0.01 -0.34 0.08 0.12 -0.31 0.00 0.00 175.10 174.64 1wn3 s PHE 115 N -2.50 3.15 -0.30 2.82 2.19 0.12 -2.47 117.98 120.98 1wn3 s PHE 115 Ca 0.31 -0.20 -0.24 0.00 0.33 0.00 0.00 56.93 57.13 1wn3 s PHE 115 Cb -0.03 -2.20 0.00 0.00 -1.31 0.00 0.00 43.02 39.47 1wn3 s PHE 115 CO 0.16 -0.18 0.81 1.03 1.83 0.00 0.00 175.22 178.88 1wn3 s ARG 116 N 1.24 3.99 0.00 10.12 0.52 0.15 -1.46 118.95 133.51 1wn3 s ARG 116 Ca 0.05 0.66 0.14 0.00 -0.52 0.00 0.00 55.73 56.06 1wn3 s ARG 116 Cb -0.14 -3.72 0.85 0.00 0.52 0.00 0.00 34.95 32.45 1wn3 s ARG 116 CO 0.04 -0.68 1.27 1.28 0.02 0.00 0.00 175.30 177.23