#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn3 h PRO 4 N 0.00 -0.11 -0.71 -0.67 0.11 -2.04 -1.14 132.00 127.44 1wn3 h PRO 4 Ca 0.00 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1wn3 h PRO 4 Cb 0.00 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 1wn3 h PRO 4 CO 0.00 -0.07 0.32 0.35 -0.21 0.00 0.00 178.00 178.38 1wn3 h PHE 5 N -0.11 1.03 -0.61 0.65 3.57 -2.03 0.83 116.94 120.27 1wn3 h PHE 5 Ca 0.24 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1wn3 h PHE 5 Cb 0.49 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1wn3 h PHE 5 CO -0.52 0.77 0.15 0.52 -2.23 0.00 0.00 178.31 176.99 1wn3 h MET 6 N 1.02 0.97 -0.57 1.11 2.86 -1.72 -0.80 114.93 117.80 1wn3 h MET 6 Ca 0.24 -0.23 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 1wn3 h MET 6 Cb 0.14 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1wn3 h MET 6 CO -0.03 0.89 -0.06 0.93 1.06 0.00 0.00 176.91 179.70 1wn3 h GLU 7 N 0.88 1.05 -1.00 1.72 4.39 -0.86 0.11 114.58 120.88 1wn3 h GLU 7 Ca 0.19 -0.37 0.04 0.00 0.34 0.00 0.00 59.36 59.57 1wn3 h GLU 7 Cb 0.35 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 1wn3 h GLU 7 CO 0.00 1.06 0.65 0.00 -1.16 0.00 0.00 179.01 179.57 1wn3 h ALA 8 N 0.97 1.36 -0.01 3.43 0.00 -0.32 -0.95 119.26 123.74 1wn3 h ALA 8 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wn3 h ALA 8 Cb 0.63 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1wn3 h ALA 8 CO 0.04 0.53 -0.12 1.28 0.00 0.00 0.00 179.25 180.98 1wn3 n LEU 9 N -4.45 0.73 -0.74 0.00 4.77 -0.35 -4.93 117.00 112.02 1wn3 n LEU 9 Ca 0.14 -0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1wn3 n LEU 9 Cb 0.12 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1wn3 n LEU 9 CO 0.34 0.13 -0.09 0.61 -1.33 0.00 0.00 177.39 177.05 1wn3 n GLY 10 N 1.26 0.46 3.80 -0.72 0.00 -0.36 -4.82 105.19 104.80 1wn3 n GLY 10 Ca 0.15 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.99 4.28 -0.02 0.99 1.43 0.26 -4.66 118.68 118.96 1wn3 s LEU 11 Ca 0.00 1.60 0.04 0.00 -1.03 0.00 0.00 54.13 54.74 1wn3 s LEU 11 Cb 0.00 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 1wn3 s LEU 11 CO 0.00 -0.06 -0.15 -0.75 0.23 0.00 0.00 176.35 175.62 1wn3 s LYS 12 N -2.19 1.36 -0.23 1.70 2.20 0.48 -4.58 119.74 118.48 1wn3 s LYS 12 Ca 0.48 -0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 55.31 1wn3 s LYS 12 Cb -0.16 -1.26 -0.00 0.00 -1.51 0.00 0.00 37.83 34.90 1wn3 s LYS 12 CO 0.21 0.27 0.88 0.08 -0.36 0.00 0.00 175.35 176.43 1wn3 s VAL 13 N -0.16 4.81 -0.22 4.02 1.01 -1.26 -0.71 120.40 127.89 1wn3 s VAL 13 Ca 0.02 1.68 0.04 0.00 0.00 0.00 0.00 61.98 63.72 1wn3 s VAL 13 Cb -0.08 -4.16 -0.20 0.00 0.00 0.00 0.00 36.38 31.94 1wn3 s VAL 13 CO 0.00 -0.08 -0.06 0.18 0.00 0.00 0.00 175.10 175.14 1wn3 n LEU 14 N 5.97 2.37 -3.81 3.92 4.77 -0.01 -4.98 117.00 125.23 1wn3 n LEU 14 Ca 0.07 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1wn3 n LEU 14 Cb 0.47 -0.68 -0.12 0.00 -2.33 0.00 0.00 43.42 40.76 1wn3 n LEU 14 CO 0.48 0.84 -0.18 -2.28 -1.33 0.00 0.00 177.39 174.92 1wn3 s HIS 15 N -2.52 -0.18 -0.11 -1.77 5.04 -1.07 -4.98 115.29 109.70 1wn3 s HIS 15 Ca -0.28 0.44 -0.04 0.00 -1.54 0.00 0.00 55.06 53.64 1wn3 s HIS 15 Cb 0.08 0.06 0.05 0.00 0.04 0.00 0.00 32.58 32.82 1wn3 s HIS 15 CO 0.67 -0.09 0.22 -1.17 -2.34 0.00 0.00 174.74 172.03 1wn3 s LEU 16 N 0.11 -0.07 0.27 8.88 2.96 -1.26 -0.98 118.68 128.60 1wn3 s LEU 16 Ca -0.00 0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 54.32 1wn3 s LEU 16 Cb -0.01 0.55 -0.01 0.00 0.50 0.00 0.00 46.19 47.22 1wn3 s LEU 16 CO 0.00 -0.22 0.43 0.00 -1.32 0.00 0.00 176.35 175.23 1wn3 s ALA 17 N 2.14 0.32 -0.23 5.97 0.00 -0.90 -5.03 121.76 124.02 1wn3 s ALA 17 Ca -0.00 -1.22 -0.36 0.00 0.00 0.00 0.00 51.96 50.37 1wn3 s ALA 17 Cb -0.12 1.14 -0.13 0.00 0.00 0.00 0.00 23.12 24.02 1wn3 s ALA 17 CO -0.07 -0.79 1.95 -2.30 0.00 0.00 0.00 175.76 174.54 1wn3 n PRO 18 N -0.43 1.51 -1.37 0.00 -0.02 -1.26 -1.40 135.00 132.03 1wn3 n PRO 18 Ca -0.00 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 1wn3 n PRO 18 Cb 0.62 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 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 5.06 1.36 3.33 -1.23 0.00 -1.26 -4.99 105.19 107.45 1wn3 n GLY 19 Ca 0.30 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.06 0.99 -0.12 1.61 -1.05 -0.49 -2.75 118.70 113.83 1wn3 s GLU 20 Ca 0.00 -0.49 -0.30 0.00 -0.15 0.00 0.00 54.97 54.04 1wn3 s GLU 20 Cb 0.00 0.44 0.08 0.00 -0.44 0.00 0.00 34.13 34.21 1wn3 s GLU 20 CO 0.00 -0.36 0.77 0.00 0.95 0.00 0.00 175.26 176.61 1wn3 s ALA 21 N -3.00 -1.81 -0.08 -0.84 0.00 -1.04 -2.13 121.76 112.85 1wn3 s ALA 21 Ca -0.02 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.45 1wn3 s ALA 21 Cb 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1wn3 s ALA 21 CO -0.06 -0.35 -0.08 0.08 0.00 0.00 0.00 175.76 175.35 1wn3 s VAL 22 N -0.87 0.93 0.01 0.00 1.01 -0.15 -0.31 120.40 121.02 1wn3 s VAL 22 Ca -0.07 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.69 1wn3 s VAL 22 Cb -0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1wn3 s VAL 22 CO 0.06 0.33 -0.22 -0.69 0.00 0.00 0.00 175.10 174.58 1wn3 s VAL 23 N 1.27 1.79 0.12 2.92 1.01 -0.38 -0.83 120.40 126.30 1wn3 s VAL 23 Ca -0.04 -1.09 0.06 0.00 0.00 0.00 0.00 61.98 60.91 1wn3 s VAL 23 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1wn3 s VAL 23 CO -0.03 0.40 -0.14 0.00 0.00 0.00 0.00 175.10 175.33 1wn3 s ALA 24 N -0.64 1.50 0.17 5.51 0.00 0.11 -0.24 121.76 128.16 1wn3 s ALA 24 Ca 0.09 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 50.70 1wn3 s ALA 24 Cb -0.09 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1wn3 s ALA 24 CO 0.00 0.11 0.32 0.41 0.00 0.00 0.00 175.76 176.61 1wn3 n GLY 25 N 0.56 1.72 2.92 0.00 0.00 -0.44 -0.38 105.19 109.56 1wn3 n GLY 25 Ca -0.16 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.08 0.05 -0.27 1.61 2.12 -1.26 -1.75 118.70 117.12 1wn3 s GLU 26 Ca 0.08 0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.19 1wn3 s GLU 26 Cb -0.02 0.02 -0.00 0.00 0.26 0.00 0.00 34.13 34.39 1wn3 s GLU 26 CO 0.06 -0.01 1.31 0.08 -0.54 0.00 0.00 175.26 176.16 1wn3 s VAL 27 N 0.06 4.15 0.40 3.70 1.01 -0.52 -4.95 120.40 124.25 1wn3 s VAL 27 Ca -0.00 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.37 1wn3 s VAL 27 Cb -0.01 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1wn3 s VAL 27 CO -0.00 -0.39 0.43 -0.13 0.00 0.00 0.00 175.10 175.01 1wn3 s ARG 28 N 4.05 2.69 0.43 2.72 0.52 -1.26 0.23 118.95 128.32 1wn3 s ARG 28 Ca 0.57 -1.38 0.18 0.00 -0.52 0.00 0.00 55.73 54.58 1wn3 s ARG 28 Cb -0.18 -2.54 1.11 0.00 0.52 0.00 0.00 34.95 33.86 1wn3 s ARG 28 CO 0.21 -0.16 1.88 0.00 0.02 0.00 0.00 175.30 177.25 1wn3 h ALA 29 N 0.93 2.23 -0.10 2.13 0.00 -1.97 0.14 119.26 122.62 1wn3 h ALA 29 Ca -0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1wn3 h ALA 29 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wn3 h ALA 29 CO 0.53 -0.49 0.00 -0.40 0.00 0.00 0.00 179.25 178.89 1wn3 n ASP 30 N -4.48 0.69 -0.64 0.00 5.75 -1.26 -3.26 116.55 113.35 1wn3 n ASP 30 Ca 0.18 -1.74 0.07 0.00 -0.01 0.00 0.00 54.79 53.29 1wn3 n ASP 30 Cb 0.67 -0.06 0.09 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.24 0.15 -2.52 2.11 8.25 0.49 -5.01 115.22 118.45 1wn3 n HIS 31 Ca 0.10 -0.12 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 1wn3 n HIS 31 Cb 0.14 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.15 3.61 0.00 2.41 1.43 -1.20 -1.07 118.68 122.71 1wn3 s LEU 32 Ca 0.20 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1wn3 s LEU 32 Cb 0.13 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 42.22 1wn3 s LEU 32 CO 0.19 -0.58 0.00 -0.46 0.23 0.00 0.00 176.35 175.73 1wn3 n ASN 33 N -1.94 0.03 0.13 2.29 0.23 0.57 -4.62 115.26 111.95 1wn3 n ASN 33 Ca 0.03 -0.91 0.11 0.00 -0.53 0.00 0.00 54.58 53.28 1wn3 n ASN 33 Cb 0.54 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.75 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 0.56 -0.88 -4.53 -0.00 -1.26 -1.68 117.00 109.21 1wn3 n LEU 34 Ca 0.00 0.70 0.12 0.00 -0.00 0.00 0.00 56.01 56.83 1wn3 n LEU 34 Cb 0.00 -0.69 0.10 0.00 -0.00 0.00 0.00 43.42 42.82 1wn3 n LEU 34 CO 0.00 -0.74 0.59 1.41 -0.00 0.00 0.00 177.39 178.65 1wn3 n HIS 35 N -2.18 0.00 -0.89 1.47 8.25 -1.26 -4.96 115.22 115.64 1wn3 n HIS 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wn3 n HIS 35 Cb 0.12 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 1.36 0.50 3.67 -1.41 0.00 -0.67 -5.05 105.19 103.58 1wn3 n GLY 36 Ca 0.13 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 2.32 0.09 2.61 -4.23 -1.26 -4.64 115.64 108.53 1wn3 s THR 37 Ca 0.00 -1.87 -0.34 0.00 -1.18 0.00 0.00 61.69 58.30 1wn3 s THR 37 Cb 0.00 -2.93 -0.13 0.00 1.34 0.00 0.00 72.50 70.78 1wn3 s THR 37 CO 0.00 -0.06 1.69 0.00 -0.54 0.00 0.00 174.62 175.71 1wn3 n ALA 38 N -1.07 1.36 -1.89 3.99 0.00 0.13 -0.32 120.51 122.71 1wn3 n ALA 38 Ca -0.03 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 1wn3 n ALA 38 Cb 0.65 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 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 1.95 3.03 0.54 0.00 2.46 -0.23 -4.70 115.29 118.33 1wn3 s HIS 39 Ca 0.83 0.99 0.27 0.00 0.47 0.00 0.00 55.06 57.62 1wn3 s HIS 39 Cb -0.66 -3.82 1.43 0.00 -0.13 0.00 0.00 32.58 29.40 1wn3 s HIS 39 CO 0.41 -2.73 1.96 0.78 -2.47 0.00 0.00 174.74 172.70 1wn3 h GLY 40 N 5.26 0.00 2.00 1.59 0.00 -1.90 0.14 103.07 110.16 1wn3 h GLY 40 Ca -0.45 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.76 1wn3 h GLY 40 CO 0.79 0.00 -0.53 -1.33 0.00 0.00 0.00 176.54 175.47 1wn3 h GLY 41 N 0.00 0.00 0.90 4.60 0.00 -1.95 -2.13 103.07 104.49 1wn3 h GLY 41 Ca 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.47 1wn3 h GLY 41 CO -0.00 0.00 -0.52 -2.75 0.00 0.00 0.00 176.54 173.26 1wn3 h PHE 42 N 0.00 0.73 -0.42 5.60 3.57 -1.05 -1.48 116.94 123.90 1wn3 h PHE 42 Ca -0.01 -0.32 -0.09 0.00 3.53 0.00 0.00 57.97 61.09 1wn3 h PHE 42 Cb 0.97 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1wn3 h PHE 42 CO 0.00 1.10 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.02 1wn3 h LEU 43 N 0.16 0.72 -0.15 0.59 3.38 -1.43 -1.88 115.31 116.70 1wn3 h LEU 43 Ca -0.03 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1wn3 h LEU 43 Cb 1.17 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1wn3 h LEU 43 CO 0.11 0.85 -0.04 0.22 0.09 0.00 0.00 178.44 179.67 1wn3 h TYR 44 N 0.68 0.33 -0.88 1.13 5.03 -1.40 -1.79 116.97 120.07 1wn3 h TYR 44 Ca 0.12 -0.07 0.12 0.00 2.58 0.00 0.00 58.73 61.48 1wn3 h TYR 44 Cb 0.55 -0.08 -0.08 0.00 1.55 0.00 0.00 36.73 38.67 1wn3 h TYR 44 CO 0.03 0.58 0.50 0.00 -1.32 0.00 0.00 178.16 177.95 1wn3 h ALA 45 N 0.70 1.31 0.17 1.82 0.00 -1.05 1.19 119.26 123.40 1wn3 h ALA 45 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wn3 h ALA 45 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wn3 h ALA 45 CO 0.02 0.05 -0.08 1.25 0.00 0.00 0.00 179.25 180.48 1wn3 h LEU 46 N 0.77 -0.20 -0.85 0.00 5.85 -1.22 -0.34 115.31 119.33 1wn3 h LEU 46 Ca 0.45 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 1wn3 h LEU 46 Cb 0.52 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1wn3 h LEU 46 CO -0.30 -0.03 0.36 0.00 -0.34 0.00 0.00 178.44 178.13 1wn3 h ALA 47 N 0.45 1.09 -0.26 1.25 0.00 -0.39 -2.44 119.26 118.97 1wn3 h ALA 47 Ca -0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1wn3 h ALA 47 Cb 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wn3 h ALA 47 CO 0.04 0.66 -0.07 0.22 0.00 0.00 0.00 179.25 180.11 1wn3 h ASP 48 N 1.17 0.38 -0.21 0.00 3.58 0.16 -1.58 116.42 119.91 1wn3 h ASP 48 Ca 0.28 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 1wn3 h ASP 48 Cb 0.17 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1wn3 h ASP 48 CO -0.03 0.49 0.00 0.28 -2.88 0.00 0.00 179.24 177.11 1wn3 h SER 49 N 0.38 0.37 -0.80 2.28 0.02 -0.57 0.42 113.55 115.65 1wn3 h SER 49 Ca 0.08 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 1wn3 h SER 49 Cb 0.36 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1wn3 h SER 49 CO 0.02 0.58 0.35 0.00 -1.14 0.00 0.00 176.83 176.64 1wn3 h ALA 50 N 0.80 1.04 -0.28 3.77 0.00 -1.31 -1.13 119.26 122.15 1wn3 h ALA 50 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wn3 h ALA 50 Cb 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1wn3 h ALA 50 CO 0.01 0.64 0.18 0.35 0.00 0.00 0.00 179.25 180.43 1wn3 h PHE 51 N 1.15 0.36 -0.35 0.00 3.57 -1.10 0.54 116.94 121.12 1wn3 h PHE 51 Ca 0.27 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1wn3 h PHE 51 Cb 0.18 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1wn3 h PHE 51 CO 0.02 0.25 0.07 0.00 -2.23 0.00 0.00 178.31 176.42 1wn3 h ALA 52 N 1.08 0.46 -0.25 2.41 0.00 -0.64 -1.64 119.26 120.68 1wn3 h ALA 52 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wn3 h ALA 52 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wn3 h ALA 52 CO -0.02 0.15 0.10 -0.07 0.00 0.00 0.00 179.25 179.40 1wn3 h LEU 53 N 0.42 0.35 -0.33 0.00 3.38 -1.08 -1.45 115.31 116.61 1wn3 h LEU 53 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1wn3 h LEU 53 Cb 0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1wn3 h LEU 53 CO 0.00 0.43 0.21 0.00 0.09 0.00 0.00 178.44 179.17 1wn3 h ALA 54 N 0.94 0.42 -0.46 1.53 0.00 -0.82 -2.75 119.26 118.12 1wn3 h ALA 54 Ca 0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1wn3 h ALA 54 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wn3 h ALA 54 CO -0.01 -0.10 -0.03 0.66 0.00 0.00 0.00 179.25 179.77 1wn3 h SER 55 N 0.44 0.75 0.48 0.00 4.64 -1.25 -2.73 113.55 115.88 1wn3 h SER 55 Ca 0.12 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1wn3 h SER 55 Cb -0.02 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1wn3 h SER 55 CO -0.02 0.84 0.00 0.59 -0.87 0.00 0.00 176.83 177.36 1wn3 n ASN 56 N -4.20 0.00 0.06 4.97 3.02 -0.55 -1.81 115.26 116.75 1wn3 n ASN 56 Ca 0.02 0.32 0.11 0.00 -0.03 0.00 0.00 54.58 55.01 1wn3 n ASN 56 Cb 0.32 -0.42 0.45 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.42 0.64 1.02 3.41 -2.24 -1.03 -2.20 114.28 112.46 1wn3 n THR 57 Ca 0.06 0.06 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1wn3 n THR 57 Cb 0.17 -0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 67.55 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 -1.90 0.59 0.00 -0.78 5.12 -0.75 -4.77 116.66 114.17 1wn3 n ARG 58 Ca 0.04 -0.48 0.00 0.00 -1.93 0.00 0.00 57.85 55.49 1wn3 n ARG 58 Cb 0.29 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 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 1.45 1.51 3.74 -0.13 0.00 -0.93 -5.06 105.19 105.77 1wn3 n GLY 59 Ca 0.07 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 1wn3 n GLY 59 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wn3 s PRO 60 N -1.28 4.26 0.04 1.61 0.04 -1.26 -4.14 135.00 134.28 1wn3 s PRO 60 Ca 0.00 2.30 -0.14 0.00 0.04 0.00 0.00 61.00 63.20 1wn3 s PRO 60 Cb 0.00 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.44 1wn3 s PRO 60 CO 0.00 -0.44 0.32 0.00 0.04 0.00 0.00 177.00 176.92 1wn3 s ALA 61 N 0.15 -0.73 -0.03 8.56 0.00 -1.26 -0.91 121.76 127.53 1wn3 s ALA 61 Ca 0.61 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.67 1wn3 s ALA 61 Cb -0.42 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1wn3 s ALA 61 CO 0.42 -0.42 -0.22 0.54 0.00 0.00 0.00 175.76 176.07 1wn3 s VAL 62 N -2.56 1.77 0.30 0.00 0.11 -0.29 -4.93 120.40 114.79 1wn3 s VAL 62 Ca -0.05 -0.94 -0.29 0.00 -2.93 0.00 0.00 61.98 57.77 1wn3 s VAL 62 Cb -0.01 -1.48 -0.10 0.00 -1.53 0.00 0.00 36.38 33.27 1wn3 s VAL 62 CO -0.03 0.50 1.32 0.00 -3.33 0.00 0.00 175.10 173.56 1wn3 s ALA 63 N -0.39 3.52 -0.03 1.54 0.00 -1.26 0.05 121.76 125.19 1wn3 s ALA 63 Ca 0.05 1.24 -0.07 0.00 0.00 0.00 0.00 51.96 53.19 1wn3 s ALA 63 Cb -0.10 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1wn3 s ALA 63 CO 0.00 -0.63 -0.13 1.28 0.00 0.00 0.00 175.76 176.28 1wn3 n LEU 64 N 1.30 1.13 -3.91 0.00 4.77 -0.17 -4.83 117.00 115.29 1wn3 n LEU 64 Ca 0.02 0.17 -0.17 0.00 -0.03 0.00 0.00 56.01 56.00 1wn3 n LEU 64 Cb 0.42 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 1wn3 n LEU 64 CO 0.59 -0.51 -0.40 -0.55 -1.33 0.00 0.00 177.39 175.19 1wn3 s SER 65 N -5.58 0.65 0.01 -1.43 0.15 -1.17 -5.02 113.70 101.30 1wn3 s SER 65 Ca -0.11 -0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.48 1wn3 s SER 65 Cb 0.01 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1wn3 s SER 65 CO 0.16 -0.01 -0.07 0.00 1.20 0.00 0.00 173.24 174.52 1wn3 s ARG 67 N -0.47 1.64 -0.07 0.00 3.52 0.13 -4.97 118.95 118.73 1wn3 s ARG 67 Ca 0.00 -0.95 -0.01 0.00 -0.13 0.00 0.00 55.73 54.65 1wn3 s ARG 67 Cb -0.04 -1.72 0.03 0.00 -1.56 0.00 0.00 34.95 31.66 1wn3 s ARG 67 CO -0.00 0.45 -0.01 1.41 -0.81 0.00 0.00 175.30 176.34 1wn3 s MET 68 N -0.99 0.67 -0.21 5.12 -2.45 -1.26 -0.42 119.30 119.76 1wn3 s MET 68 Ca 0.09 0.06 -0.03 0.00 -1.25 0.00 0.00 55.69 54.56 1wn3 s MET 68 Cb -0.09 -0.97 -0.01 0.00 1.25 0.00 0.00 34.83 35.01 1wn3 s MET 68 CO 0.01 -0.27 -0.06 -0.51 1.05 0.00 0.00 175.02 175.25 1wn3 s ASP 69 N 1.78 4.25 -0.19 1.11 1.01 0.98 -4.96 116.67 120.66 1wn3 s ASP 69 Ca 0.02 -0.38 -0.16 0.00 0.71 0.00 0.00 52.55 52.74 1wn3 s ASP 69 Cb -0.13 -1.72 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 1wn3 s ASP 69 CO -0.05 0.01 0.39 -0.31 0.21 0.00 0.00 175.17 175.42 1wn3 s TYR 70 N 1.33 3.40 -0.10 4.23 2.02 -1.26 -0.46 117.35 126.51 1wn3 s TYR 70 Ca 0.04 0.64 0.03 0.00 -0.37 0.00 0.00 57.07 57.41 1wn3 s TYR 70 Cb -0.14 -2.50 -0.08 0.00 -0.40 0.00 0.00 41.96 38.84 1wn3 s TYR 70 CO -0.03 0.05 -0.05 1.19 -1.57 0.00 0.00 175.55 175.15 1wn3 n PHE 71 N 4.24 0.00 -3.90 2.71 3.72 -0.21 -5.00 117.46 119.02 1wn3 n PHE 71 Ca -0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.17 1wn3 n PHE 71 Cb 0.51 -0.40 -0.15 0.00 -0.94 0.00 0.00 39.48 38.50 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 -2.20 0.11 0.62 -1.08 0.52 -0.94 -5.05 118.95 110.93 1wn3 s ARG 72 Ca -0.10 0.02 -0.12 0.00 -0.52 0.00 0.00 55.73 55.01 1wn3 s ARG 72 Cb 0.03 -0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.26 1wn3 s ARG 72 CO 0.28 -0.04 1.03 -1.25 0.02 0.00 0.00 175.30 175.34 1wn3 s PRO 73 N 0.39 3.48 0.03 3.54 0.04 -1.26 -4.83 135.00 136.39 1wn3 s PRO 73 Ca -0.03 0.85 0.03 0.00 0.04 0.00 0.00 61.00 61.89 1wn3 s PRO 73 Cb -0.06 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1wn3 s PRO 73 CO -0.01 -0.66 -0.10 -0.51 0.04 0.00 0.00 177.00 175.75 1wn3 s LEU 74 N -5.08 2.16 0.44 -3.56 1.43 -1.26 -5.00 118.68 107.81 1wn3 s LEU 74 Ca 0.57 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 1wn3 s LEU 74 Cb -0.12 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.70 1wn3 s LEU 74 CO 0.50 -0.03 0.50 -0.83 0.23 0.00 0.00 176.35 176.72 1wn3 s GLY 75 N -1.05 2.03 0.39 -3.19 0.00 -1.26 0.18 107.32 104.41 1wn3 s GLY 75 Ca -0.02 -1.79 -0.27 0.00 0.00 0.00 0.00 44.72 42.65 1wn3 s GLY 75 CO 0.01 -1.62 1.38 0.00 0.00 0.00 0.00 173.10 172.86 1wn3 n ALA 76 N -1.75 1.78 0.00 3.20 0.00 -1.26 -2.24 120.51 120.24 1wn3 n ALA 76 Ca 0.06 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1wn3 n ALA 76 Cb 0.61 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 0.64 2.98 3.73 0.00 0.00 0.13 -5.00 105.19 107.67 1wn3 n GLY 77 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.55 3.73 -0.11 4.61 0.00 -0.95 -4.72 121.76 121.78 1wn3 s ALA 78 Ca 0.00 1.36 -0.23 0.00 0.00 0.00 0.00 51.96 53.09 1wn3 s ALA 78 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1wn3 s ALA 78 CO 0.00 -0.78 0.71 1.03 0.00 0.00 0.00 175.76 176.73 1wn3 s ARG 79 N 0.68 4.36 0.13 0.00 3.00 -1.26 -1.44 118.95 124.43 1wn3 s ARG 79 Ca 0.67 0.85 0.07 0.00 0.00 0.00 0.00 55.73 57.32 1wn3 s ARG 79 Cb -0.43 -3.50 -0.04 0.00 0.00 0.00 0.00 34.95 30.98 1wn3 s ARG 79 CO 0.35 -0.07 -0.17 0.54 0.00 0.00 0.00 175.30 175.95 1wn3 s VAL 80 N 1.29 1.57 -0.01 3.52 0.11 -0.72 -4.30 120.40 121.86 1wn3 s VAL 80 Ca 0.36 -1.75 -0.03 0.00 -2.93 0.00 0.00 61.98 57.63 1wn3 s VAL 80 Cb -0.17 -1.63 -0.00 0.00 -1.53 0.00 0.00 36.38 33.04 1wn3 s VAL 80 CO 0.15 -0.32 0.06 -0.70 -3.33 0.00 0.00 175.10 170.96 1wn3 s GLU 81 N -2.56 0.24 -0.17 1.54 2.12 -0.11 -1.32 118.70 118.44 1wn3 s GLU 81 Ca 0.11 -0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.22 1wn3 s GLU 81 Cb -0.06 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.44 1wn3 s GLU 81 CO 0.05 -0.05 -0.19 0.00 -0.54 0.00 0.00 175.26 174.53 1wn3 s ALA 82 N -0.74 2.35 -0.26 6.30 0.00 0.66 -0.59 121.76 129.49 1wn3 s ALA 82 Ca -0.08 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 1wn3 s ALA 82 Cb -0.05 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1wn3 s ALA 82 CO 0.00 -0.23 -0.00 1.03 0.00 0.00 0.00 175.76 176.56 1wn3 s ARG 83 N 1.12 3.04 -0.17 0.00 0.52 -0.21 -1.25 118.95 122.00 1wn3 s ARG 83 Ca 0.01 -0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 54.29 1wn3 s ARG 83 Cb -0.14 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 1wn3 s ARG 83 CO -0.08 -0.38 0.05 0.00 0.02 0.00 0.00 175.30 174.91 1wn3 s ALA 84 N 1.42 3.36 0.02 2.13 0.00 0.58 -1.44 121.76 127.83 1wn3 s ALA 84 Ca 0.02 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.27 1wn3 s ALA 84 Cb -0.16 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 1wn3 s ALA 84 CO -0.02 0.24 -0.12 0.14 0.00 0.00 0.00 175.76 176.00 1wn3 s VAL 85 N 0.21 0.97 -0.11 0.00 -7.23 -0.34 -2.51 120.40 111.40 1wn3 s VAL 85 Ca 0.03 -0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 59.13 1wn3 s VAL 85 Cb -0.12 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.94 1wn3 s VAL 85 CO 0.01 0.09 1.05 -0.70 -0.31 0.00 0.00 175.10 175.24 1wn3 s GLU 86 N -0.78 4.39 -0.14 4.82 2.12 -1.11 -1.11 118.70 126.90 1wn3 s GLU 86 Ca 0.02 1.45 0.18 0.00 0.36 0.00 0.00 54.97 56.98 1wn3 s GLU 86 Cb -0.06 -3.56 -0.26 0.00 0.26 0.00 0.00 34.13 30.51 1wn3 s GLU 86 CO 0.00 -0.38 0.17 1.33 -0.54 0.00 0.00 175.26 175.85 1wn3 n VAL 87 N 4.64 0.92 -3.69 3.70 0.24 0.14 -4.94 118.33 119.34 1wn3 n VAL 87 Ca 0.10 -0.70 -0.13 0.00 -2.04 0.00 0.00 64.34 61.57 1wn3 n VAL 87 Cb 0.48 -0.35 -0.09 0.00 -1.47 0.00 0.00 33.84 32.41 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 -5.03 -0.57 -0.10 -1.34 2.47 -0.99 -4.98 114.94 104.40 1wn3 s ASN 88 Ca -0.09 1.07 -0.01 0.00 0.42 0.00 0.00 52.86 54.25 1wn3 s ASN 88 Cb 0.08 1.06 0.03 0.00 -1.45 0.00 0.00 41.25 40.97 1wn3 s ASN 88 CO 0.79 -0.19 -0.00 -0.22 -3.72 0.00 0.00 177.10 173.76 1wn3 s LEU 89 N 0.49 0.78 0.00 3.21 2.96 -1.26 -1.04 118.68 123.81 1wn3 s LEU 89 Ca -0.02 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1wn3 s LEU 89 Cb -0.04 -0.52 -0.00 0.00 0.50 0.00 0.00 46.19 46.12 1wn3 s LEU 89 CO -0.02 -0.20 0.04 -1.54 -1.32 0.00 0.00 176.35 173.31 1wn3 n SER 90 N 5.10 1.44 0.08 3.68 3.41 0.07 -5.02 113.62 122.37 1wn3 n SER 90 Ca -0.08 -1.88 -0.13 0.00 -0.26 0.00 0.00 58.87 56.52 1wn3 n SER 90 Cb 0.49 0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.72 1wn3 n SER 90 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wn3 h ARG 91 N 0.00 -0.11 -0.01 4.33 2.43 -2.00 -3.33 114.38 115.69 1wn3 h ARG 91 Ca -0.14 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1wn3 h ARG 91 Cb 0.49 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1wn3 h ARG 91 CO 0.22 -0.03 -0.31 0.54 -1.51 0.00 0.00 179.97 178.89 1wn3 n ARG 92 N -5.12 2.30 -4.05 0.20 5.12 -1.26 -4.72 116.66 109.13 1wn3 n ARG 92 Ca -0.08 -0.50 -0.09 0.00 -1.93 0.00 0.00 57.85 55.24 1wn3 n ARG 92 Cb 0.09 -1.11 -0.09 0.00 -1.16 0.00 0.00 32.46 30.20 1wn3 n ARG 92 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1wn3 s THR 93 N -1.63 0.11 -0.09 0.55 -4.23 -1.25 0.04 115.64 109.13 1wn3 s THR 93 Ca 0.08 -1.65 -0.20 0.00 -1.18 0.00 0.00 61.69 58.75 1wn3 s THR 93 Cb 0.09 -1.84 0.04 0.00 1.34 0.00 0.00 72.50 72.14 1wn3 s THR 93 CO 0.33 -0.49 0.47 0.00 -0.54 0.00 0.00 174.62 174.39 1wn3 s ALA 94 N -3.99 -1.20 -0.03 3.99 0.00 -0.90 -0.75 121.76 118.88 1wn3 s ALA 94 Ca 0.18 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.18 1wn3 s ALA 94 Cb 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1wn3 s ALA 94 CO -0.02 -0.27 -0.14 0.99 0.00 0.00 0.00 175.76 176.32 1wn3 s THR 95 N -0.63 1.19 0.07 0.00 2.01 -0.21 -0.31 115.64 117.77 1wn3 s THR 95 Ca -0.07 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.39 1wn3 s THR 95 Cb -0.03 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 1wn3 s THR 95 CO 0.04 0.35 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.84 1wn3 s TYR 96 N 0.02 1.46 -0.14 4.92 1.51 0.99 -0.68 117.35 125.43 1wn3 s TYR 96 Ca -0.02 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.60 1wn3 s TYR 96 Cb -0.10 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.90 1wn3 s TYR 96 CO 0.01 0.10 -0.04 0.50 -1.11 0.00 0.00 175.55 175.02 1wn3 s ARG 97 N -1.59 3.49 -0.14 -0.62 3.52 -0.27 -1.11 118.95 122.25 1wn3 s ARG 97 Ca 0.02 -0.51 -0.00 0.00 -0.13 0.00 0.00 55.73 55.11 1wn3 s ARG 97 Cb -0.09 -2.86 0.03 0.00 -1.56 0.00 0.00 34.95 30.46 1wn3 s ARG 97 CO 0.03 0.34 -0.10 0.08 -0.81 0.00 0.00 175.30 174.84 1wn3 s VAL 98 N 0.09 1.27 -0.14 7.11 1.01 0.34 -1.20 120.40 128.87 1wn3 s VAL 98 Ca -0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 1wn3 s VAL 98 Cb -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1wn3 s VAL 98 CO 0.03 0.37 0.28 -1.61 0.00 0.00 0.00 175.10 174.16 1wn3 s GLU 99 N 1.60 4.15 -0.26 2.72 2.02 -0.52 -0.72 118.70 127.68 1wn3 s GLU 99 Ca 0.04 0.09 -0.08 0.00 0.02 0.00 0.00 54.97 55.03 1wn3 s GLU 99 Cb -0.13 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 1wn3 s GLU 99 CO -0.09 0.33 0.11 0.08 0.02 0.00 0.00 175.26 175.71 1wn3 s VAL 100 N 0.18 4.61 0.09 2.63 1.01 -0.06 -1.04 120.40 127.82 1wn3 s VAL 100 Ca 0.16 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1wn3 s VAL 100 Cb -0.13 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1wn3 s VAL 100 CO 0.04 0.30 -0.18 -0.69 0.00 0.00 0.00 175.10 174.57 1wn3 s VAL 101 N 1.66 1.50 -0.14 2.92 1.01 0.24 0.45 120.40 128.04 1wn3 s VAL 101 Ca 0.06 -1.45 -0.04 0.00 0.00 0.00 0.00 61.98 60.55 1wn3 s VAL 101 Cb -0.15 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 34.91 1wn3 s VAL 101 CO 0.06 -0.11 0.23 -0.55 0.00 0.00 0.00 175.10 174.72 1wn3 s SER 102 N -1.83 0.70 -1.41 3.32 0.15 -0.42 -0.93 113.70 113.28 1wn3 s SER 102 Ca 0.03 0.33 -0.07 0.00 0.70 0.00 0.00 55.95 56.95 1wn3 s SER 102 Cb -0.10 0.52 0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1wn3 s SER 102 CO 0.03 -0.26 0.85 -0.62 1.20 0.00 0.00 173.24 174.44 1wn3 n GLU 103 N 5.34 -5.36 -0.35 5.44 -0.58 -1.26 -1.67 120.64 122.21 1wn3 n GLU 103 Ca -0.05 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1wn3 n GLU 103 Cb 0.50 -5.35 0.00 0.00 -0.57 0.00 0.00 31.44 26.01 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 2.20 3.87 0.62 0.00 -1.26 -5.01 105.19 103.95 1wn3 n GLY 104 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.01 3.59 -0.45 1.61 -0.14 -0.67 -5.04 119.74 118.63 1wn3 s LYS 105 Ca 0.00 0.04 -0.28 0.00 -1.36 0.00 0.00 55.97 54.37 1wn3 s LYS 105 Cb 0.00 -3.20 0.03 0.00 -1.68 0.00 0.00 37.83 32.98 1wn3 s LYS 105 CO 0.00 0.75 1.08 -1.17 -0.76 0.00 0.00 175.35 175.25 1wn3 s LEU 106 N -1.05 3.75 -0.02 3.17 2.96 -1.26 -1.29 118.68 124.94 1wn3 s LEU 106 Ca 0.18 0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 54.55 1wn3 s LEU 106 Cb -0.14 -3.47 -0.28 0.00 0.50 0.00 0.00 46.19 42.81 1wn3 s LEU 106 CO 0.07 -1.15 0.76 0.58 -1.32 0.00 0.00 176.35 175.29 1wn3 h VAL 107 N 6.12 1.03 -2.52 1.68 2.07 -0.33 -3.40 116.25 120.90 1wn3 h VAL 107 Ca -0.23 -2.69 0.04 0.00 0.82 0.00 0.00 66.70 64.64 1wn3 h VAL 107 Cb 1.06 2.70 -0.15 0.00 -1.52 0.00 0.00 31.29 33.39 1wn3 h VAL 107 CO 1.09 0.81 0.35 0.00 0.02 0.00 0.00 177.57 179.84 1wn3 s ALA 108 N -2.60 -1.73 -0.11 1.67 0.00 -1.03 -1.04 121.76 116.92 1wn3 s ALA 108 Ca -0.11 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1wn3 s ALA 108 Cb 0.07 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1wn3 s ALA 108 CO 0.84 -0.68 -0.17 -1.17 0.00 0.00 0.00 175.76 174.59 1wn3 s LEU 109 N -2.42 1.81 -0.06 0.00 2.96 0.39 -0.88 118.68 120.49 1wn3 s LEU 109 Ca 0.02 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1wn3 s LEU 109 Cb -0.01 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 1wn3 s LEU 109 CO -0.09 0.04 -0.12 0.12 -1.32 0.00 0.00 176.35 174.98 1wn3 s PHE 110 N 0.90 2.77 -0.10 5.38 2.19 0.10 -0.01 117.98 129.21 1wn3 s PHE 110 Ca -0.08 -0.13 -0.00 0.00 0.33 0.00 0.00 56.93 57.05 1wn3 s PHE 110 Cb -0.15 -1.66 0.02 0.00 -1.31 0.00 0.00 43.02 39.92 1wn3 s PHE 110 CO -0.01 0.21 -0.07 0.99 1.83 0.00 0.00 175.22 178.17 1wn3 s THR 111 N -0.70 0.90 0.01 0.12 2.01 0.44 -0.50 115.64 117.92 1wn3 s THR 111 Ca 0.11 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1wn3 s THR 111 Cb -0.11 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 1wn3 s THR 111 CO 0.01 0.34 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.41 1wn3 s GLY 112 N 1.55 0.24 -0.04 4.40 0.00 -0.27 0.18 107.32 113.39 1wn3 s GLY 112 Ca 0.01 -0.36 0.07 0.00 0.00 0.00 0.00 44.72 44.44 1wn3 s GLY 112 CO -0.06 -0.37 -0.24 -1.59 0.00 0.00 0.00 173.10 170.84 1wn3 s THR 113 N -0.64 1.96 0.29 0.90 2.01 -0.36 -0.00 115.64 119.80 1wn3 s THR 113 Ca -0.05 -1.04 0.11 0.00 0.31 0.00 0.00 61.69 61.02 1wn3 s THR 113 Cb -0.05 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 1wn3 s THR 113 CO -0.00 0.55 -0.18 0.68 -0.69 0.00 0.00 174.62 174.98 1wn3 s VAL 114 N -0.39 2.38 -0.23 3.82 -7.23 0.58 -1.00 120.40 118.33 1wn3 s VAL 114 Ca 0.04 -2.36 -0.07 0.00 -1.81 0.00 0.00 61.98 57.78 1wn3 s VAL 114 Cb -0.11 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 1wn3 s VAL 114 CO 0.01 -0.38 0.06 0.12 -0.31 0.00 0.00 175.10 174.61 1wn3 s PHE 115 N -2.56 3.12 -0.10 2.82 2.19 0.11 -2.12 117.98 121.44 1wn3 s PHE 115 Ca 0.30 -0.29 -0.26 0.00 0.33 0.00 0.00 56.93 57.01 1wn3 s PHE 115 Cb -0.03 -2.18 -0.02 0.00 -1.31 0.00 0.00 43.02 39.47 1wn3 s PHE 115 CO 0.15 -0.21 0.83 1.03 1.83 0.00 0.00 175.22 178.85 1wn3 s ARG 116 N 1.24 4.40 0.00 10.12 0.52 0.11 -1.14 118.95 134.20 1wn3 s ARG 116 Ca 0.05 1.08 0.30 0.00 -0.52 0.00 0.00 55.73 56.64 1wn3 s ARG 116 Cb -0.14 -3.51 1.53 0.00 0.52 0.00 0.00 34.95 33.35 1wn3 s ARG 116 CO 0.03 -0.15 2.02 1.28 0.02 0.00 0.00 175.30 178.50