#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm6 n ARG 2 N 0.00 0.08 -3.90 0.03 0.63 -1.26 -5.04 116.66 107.20 1wm6 n ARG 2 Ca 0.00 0.09 -0.31 0.00 -0.92 0.00 0.00 57.85 56.71 1wm6 n ARG 2 Cb 0.00 -2.18 -0.04 0.00 0.45 0.00 0.00 32.46 30.68 1wm6 n ARG 2 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1wm6 s ASP 3 N -1.99 6.37 0.30 6.15 -1.08 -1.26 -4.97 116.67 120.19 1wm6 s ASP 3 Ca 0.68 0.29 -0.02 0.00 -0.52 0.00 0.00 52.55 52.98 1wm6 s ASP 3 Cb -0.28 -1.97 0.44 0.00 -1.46 0.00 0.00 42.92 39.64 1wm6 s ASP 3 CO 0.56 0.16 1.96 -0.65 0.52 0.00 0.00 175.17 177.72 1wm6 h PRO 4 N 3.04 1.07 -0.07 4.34 0.11 -1.99 0.51 132.00 139.01 1wm6 h PRO 4 Ca -0.45 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 65.42 1wm6 h PRO 4 Cb 1.16 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1wm6 h PRO 4 CO 0.76 0.72 -0.68 0.35 -0.21 0.00 0.00 178.00 178.94 1wm6 h PHE 5 N 1.10 0.42 -0.40 0.65 3.57 -1.99 -1.51 116.94 118.79 1wm6 h PHE 5 Ca 0.29 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1wm6 h PHE 5 Cb -0.10 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1wm6 h PHE 5 CO 0.00 0.90 0.15 0.52 -2.23 0.00 0.00 178.31 177.66 1wm6 h MET 6 N 0.22 0.60 -0.18 1.11 2.86 -1.59 -1.45 114.93 116.51 1wm6 h MET 6 Ca -0.02 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1wm6 h MET 6 Cb 1.23 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 1wm6 h MET 6 CO 0.11 0.58 0.05 1.49 1.06 0.00 0.00 176.91 180.20 1wm6 h GLU 7 N 0.50 0.13 -0.20 1.72 4.81 0.12 0.22 114.58 121.88 1wm6 h GLU 7 Ca 0.13 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1wm6 h GLU 7 Cb 0.21 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1wm6 h GLU 7 CO -0.01 0.08 0.14 0.00 -0.73 0.00 0.00 179.01 178.49 1wm6 h ALA 8 N 1.12 1.95 -0.00 2.92 0.00 -1.04 -1.00 119.26 123.20 1wm6 h ALA 8 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wm6 h ALA 8 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wm6 h ALA 8 CO -0.09 0.03 -0.37 1.28 0.00 0.00 0.00 179.25 180.09 1wm6 n LEU 9 N -4.50 0.83 0.00 0.00 4.77 -0.56 -4.94 117.00 112.59 1wm6 n LEU 9 Ca 0.01 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1wm6 n LEU 9 Cb 0.13 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1wm6 n LEU 9 CO 0.35 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1wm6 n GLY 10 N 1.41 0.40 3.78 -0.72 0.00 0.28 -4.84 105.19 105.50 1wm6 n GLY 10 Ca 0.09 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1wm6 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wm6 s LEU 11 N 0.00 4.51 0.07 0.99 1.43 0.50 -4.64 118.68 121.55 1wm6 s LEU 11 Ca 0.00 1.67 0.06 0.00 -1.03 0.00 0.00 54.13 54.84 1wm6 s LEU 11 Cb 0.00 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 1wm6 s LEU 11 CO 0.00 0.12 -0.17 -0.54 0.23 0.00 0.00 176.35 175.99 1wm6 s LYS 12 N -1.46 1.01 -0.34 1.70 1.02 0.39 -4.43 119.74 117.65 1wm6 s LYS 12 Ca 0.40 -1.00 -0.25 0.00 0.02 0.00 0.00 55.97 55.14 1wm6 s LYS 12 Cb -0.22 -1.13 0.01 0.00 -0.52 0.00 0.00 37.83 35.97 1wm6 s LYS 12 CO 0.26 0.27 0.89 0.08 -0.92 0.00 0.00 175.35 175.92 1wm6 s VAL 13 N -1.11 4.66 -0.12 3.17 1.01 -1.26 -0.64 120.40 126.11 1wm6 s VAL 13 Ca 0.03 1.27 0.19 0.00 0.00 0.00 0.00 61.98 63.47 1wm6 s VAL 13 Cb -0.10 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.78 1wm6 s VAL 13 CO 0.03 -0.41 0.47 0.18 0.00 0.00 0.00 175.10 175.37 1wm6 n LEU 14 N 6.55 0.32 -3.58 3.92 4.77 -0.15 -4.97 117.00 123.86 1wm6 n LEU 14 Ca 0.06 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 1wm6 n LEU 14 Cb 0.48 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 1wm6 n LEU 14 CO 0.55 0.21 0.49 -2.28 -1.33 0.00 0.00 177.39 175.03 1wm6 s HIS 15 N -2.96 -0.67 -0.12 -1.77 5.04 -1.05 -4.96 115.29 108.79 1wm6 s HIS 15 Ca -0.07 1.42 -0.11 0.00 -1.54 0.00 0.00 55.06 54.76 1wm6 s HIS 15 Cb 0.09 0.35 0.03 0.00 0.04 0.00 0.00 32.58 33.10 1wm6 s HIS 15 CO 0.85 -0.45 0.33 -1.17 -2.34 0.00 0.00 174.74 171.95 1wm6 s LEU 16 N -0.40 0.74 0.24 8.88 2.96 -1.26 -0.85 118.68 128.99 1wm6 s LEU 16 Ca -0.04 0.66 -0.22 0.00 -0.22 0.00 0.00 54.13 54.30 1wm6 s LEU 16 Cb -0.03 1.12 0.04 0.00 0.50 0.00 0.00 46.19 47.82 1wm6 s LEU 16 CO 0.04 -0.11 0.80 0.00 -1.32 0.00 0.00 176.35 175.76 1wm6 s ALA 17 N 0.19 -1.37 -0.15 5.97 0.00 -0.99 -4.99 121.76 120.42 1wm6 s ALA 17 Ca -0.00 -0.16 -0.34 0.00 0.00 0.00 0.00 51.96 51.47 1wm6 s ALA 17 Cb -0.02 0.78 -0.11 0.00 0.00 0.00 0.00 23.12 23.77 1wm6 s ALA 17 CO 0.00 -1.04 1.98 -2.30 0.00 0.00 0.00 175.76 174.40 1wm6 n PRO 18 N -0.46 1.98 -0.95 0.00 -0.02 -1.26 -1.17 135.00 133.11 1wm6 n PRO 18 Ca -0.05 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1wm6 n PRO 18 Cb 0.60 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1wm6 n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wm6 n GLY 19 N 4.94 0.61 3.22 -1.23 0.00 -1.26 -4.97 105.19 106.49 1wm6 n GLY 19 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 1wm6 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wm6 s GLU 20 N -0.29 1.01 -0.11 1.61 -1.05 -0.32 -2.02 118.70 117.53 1wm6 s GLU 20 Ca 0.00 -1.34 -0.30 0.00 -0.15 0.00 0.00 54.97 53.18 1wm6 s GLU 20 Cb 0.00 0.29 0.11 0.00 -0.44 0.00 0.00 34.13 34.09 1wm6 s GLU 20 CO 0.00 -0.32 0.93 0.00 0.95 0.00 0.00 175.26 176.82 1wm6 s ALA 21 N -4.02 -1.89 -0.06 -0.84 0.00 -0.67 -2.34 121.76 111.95 1wm6 s ALA 21 Ca 0.21 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1wm6 s ALA 21 Cb 0.06 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1wm6 s ALA 21 CO 0.01 -0.39 -0.03 0.08 0.00 0.00 0.00 175.76 175.43 1wm6 s VAL 22 N -1.51 0.54 -0.03 0.00 1.01 -0.03 -0.15 120.40 120.24 1wm6 s VAL 22 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1wm6 s VAL 22 Cb -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1wm6 s VAL 22 CO 0.01 0.25 -0.25 -0.69 0.00 0.00 0.00 175.10 174.42 1wm6 s VAL 23 N 1.31 1.95 0.15 2.92 1.01 -0.51 -0.98 120.40 126.25 1wm6 s VAL 23 Ca -0.05 -1.05 0.09 0.00 0.00 0.00 0.00 61.98 60.97 1wm6 s VAL 23 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1wm6 s VAL 23 CO -0.02 0.55 -0.19 0.00 0.00 0.00 0.00 175.10 175.44 1wm6 s ALA 24 N -0.50 1.97 0.30 5.51 0.00 0.19 -0.66 121.76 128.57 1wm6 s ALA 24 Ca 0.07 -1.42 -0.18 0.00 0.00 0.00 0.00 51.96 50.43 1wm6 s ALA 24 Cb -0.10 -0.21 0.06 0.00 0.00 0.00 0.00 23.12 22.87 1wm6 s ALA 24 CO -0.00 0.28 0.88 0.20 0.00 0.00 0.00 175.76 177.12 1wm6 s GLY 25 N -2.43 0.24 0.00 0.00 0.00 -0.47 -0.46 107.32 104.20 1wm6 s GLY 25 Ca 0.13 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.32 1wm6 s GLY 25 CO 0.06 0.63 -0.09 1.85 0.00 0.00 0.00 173.10 175.55 1wm6 s GLU 26 N -2.38 0.73 -0.36 2.90 2.12 -1.26 -0.95 118.70 119.51 1wm6 s GLU 26 Ca 0.17 -0.42 -0.29 0.00 0.36 0.00 0.00 54.97 54.80 1wm6 s GLU 26 Cb -0.04 -0.69 0.00 0.00 0.26 0.00 0.00 34.13 33.66 1wm6 s GLU 26 CO 0.09 0.18 1.40 0.08 -0.54 0.00 0.00 175.26 176.47 1wm6 s VAL 27 N -0.40 3.95 0.44 3.70 1.01 -0.43 -4.95 120.40 123.72 1wm6 s VAL 27 Ca 0.02 1.02 0.07 0.00 0.00 0.00 0.00 61.98 63.09 1wm6 s VAL 27 Cb -0.05 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1wm6 s VAL 27 CO -0.00 -0.63 0.60 -0.13 0.00 0.00 0.00 175.10 174.94 1wm6 s ARG 28 N 4.69 2.79 0.42 2.72 0.52 -1.26 -0.39 118.95 128.44 1wm6 s ARG 28 Ca 0.61 -1.18 0.12 0.00 -0.52 0.00 0.00 55.73 54.76 1wm6 s ARG 28 Cb -0.16 -2.72 0.96 0.00 0.52 0.00 0.00 34.95 33.56 1wm6 s ARG 28 CO 0.29 -0.33 1.99 0.00 0.02 0.00 0.00 175.30 177.27 1wm6 h ALA 29 N 0.56 1.92 -0.10 2.13 0.00 -1.99 -1.10 119.26 120.68 1wm6 h ALA 29 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1wm6 h ALA 29 Cb 1.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1wm6 h ALA 29 CO 0.46 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.27 1wm6 n ASP 30 N -4.47 0.92 -0.12 0.00 5.75 -1.26 -3.16 116.55 114.21 1wm6 n ASP 30 Ca 0.09 -2.04 0.04 0.00 -0.01 0.00 0.00 54.79 52.86 1wm6 n ASP 30 Cb 0.31 -0.21 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1wm6 n ASP 30 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1wm6 n HIS 31 N -0.10 0.00 -2.33 2.11 8.25 -0.42 -5.03 115.22 117.70 1wm6 n HIS 31 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 1wm6 n HIS 31 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1wm6 n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wm6 s LEU 32 N -1.73 3.48 0.00 2.41 1.43 -1.19 -0.19 118.68 122.89 1wm6 s LEU 32 Ca 0.05 1.16 0.02 0.00 -1.03 0.00 0.00 54.13 54.33 1wm6 s LEU 32 Cb 0.06 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 42.14 1wm6 s LEU 32 CO 0.22 -0.69 0.15 -0.46 0.23 0.00 0.00 176.35 175.80 1wm6 n ASN 33 N -2.37 0.75 -0.16 2.29 0.23 -0.25 -4.65 115.26 111.10 1wm6 n ASN 33 Ca 0.03 -1.36 0.13 0.00 -0.53 0.00 0.00 54.58 52.86 1wm6 n ASN 33 Cb 0.55 -0.06 0.48 0.00 -2.08 0.00 0.00 39.78 38.66 1wm6 n ASN 33 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1wm6 h LEU 34 N 0.00 0.44 -0.31 -4.53 4.07 -1.99 -2.03 115.31 110.96 1wm6 h LEU 34 Ca -0.06 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1wm6 h LEU 34 Cb 0.27 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1wm6 h LEU 34 CO 0.09 0.24 -0.04 1.41 -1.08 0.00 0.00 178.44 179.07 1wm6 n HIS 35 N -4.49 0.00 -0.43 1.13 8.25 -1.26 -4.94 115.22 113.49 1wm6 n HIS 35 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1wm6 n HIS 35 Cb 0.46 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1wm6 n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wm6 n GLY 36 N 1.16 0.76 3.71 -1.41 0.00 -0.76 -5.08 105.19 103.57 1wm6 n GLY 36 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1wm6 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wm6 s THR 37 N -2.28 2.32 0.14 2.61 -4.23 -1.26 -4.54 115.64 108.41 1wm6 s THR 37 Ca 0.00 -1.77 -0.33 0.00 -1.18 0.00 0.00 61.69 58.42 1wm6 s THR 37 Cb 0.00 -2.98 -0.12 0.00 1.34 0.00 0.00 72.50 70.74 1wm6 s THR 37 CO 0.00 -0.03 1.71 0.00 -0.54 0.00 0.00 174.62 175.77 1wm6 n ALA 38 N -1.17 1.95 -1.79 3.99 0.00 0.11 -1.09 120.51 122.51 1wm6 n ALA 38 Ca -0.02 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1wm6 n ALA 38 Cb 0.65 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 1wm6 n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wm6 s HIS 39 N 1.73 2.93 0.47 0.00 2.46 0.73 -4.77 115.29 118.84 1wm6 s HIS 39 Ca 0.80 1.26 0.21 0.00 0.47 0.00 0.00 55.06 57.80 1wm6 s HIS 39 Cb -0.58 -3.80 1.22 0.00 -0.13 0.00 0.00 32.58 29.29 1wm6 s HIS 39 CO 0.37 -2.33 1.93 0.78 -2.47 0.00 0.00 174.74 173.02 1wm6 h GLY 40 N 3.67 0.42 2.00 1.59 0.00 -1.91 0.13 103.07 108.98 1wm6 h GLY 40 Ca -0.49 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1wm6 h GLY 40 CO 0.68 0.02 -0.39 -1.33 0.00 0.00 0.00 176.54 175.52 1wm6 h GLY 41 N 0.23 0.00 0.53 4.60 0.00 -1.94 -1.94 103.07 104.55 1wm6 h GLY 41 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1wm6 h GLY 41 CO -0.08 0.00 -0.07 -2.75 0.00 0.00 0.00 176.54 173.64 1wm6 h PHE 42 N 0.00 0.15 -0.66 5.60 3.57 -1.06 -0.89 116.94 123.65 1wm6 h PHE 42 Ca -0.00 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1wm6 h PHE 42 Cb 0.76 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1wm6 h PHE 42 CO 0.00 0.65 0.33 -0.07 -2.23 0.00 0.00 178.31 176.99 1wm6 h LEU 43 N -0.40 0.83 -0.30 0.59 3.38 -1.44 -1.31 115.31 116.67 1wm6 h LEU 43 Ca 0.00 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1wm6 h LEU 43 Cb 0.64 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wm6 h LEU 43 CO 0.02 0.69 -0.29 0.22 0.09 0.00 0.00 178.44 179.17 1wm6 h TYR 44 N 0.93 0.86 -0.83 1.13 5.03 -1.35 -2.28 116.97 120.46 1wm6 h TYR 44 Ca 0.23 -0.26 0.05 0.00 2.58 0.00 0.00 58.73 61.33 1wm6 h TYR 44 Cb 0.07 -0.18 -0.06 0.00 1.55 0.00 0.00 36.73 38.11 1wm6 h TYR 44 CO 0.01 1.00 0.52 0.00 -1.32 0.00 0.00 178.16 178.37 1wm6 h ALA 45 N 0.71 1.12 0.05 1.82 0.00 -0.70 0.30 119.26 122.56 1wm6 h ALA 45 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wm6 h ALA 45 Cb 0.86 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1wm6 h ALA 45 CO 0.07 0.31 -0.06 1.25 0.00 0.00 0.00 179.25 180.82 1wm6 h LEU 46 N 0.99 -0.15 -0.49 0.00 5.85 -1.12 -1.11 115.31 119.27 1wm6 h LEU 46 Ca 0.35 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 59.01 1wm6 h LEU 46 Cb 0.09 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1wm6 h LEU 46 CO -0.14 -0.09 0.00 0.00 -0.34 0.00 0.00 178.44 177.87 1wm6 h ALA 47 N 0.82 0.67 -0.41 1.25 0.00 -0.87 -2.80 119.26 117.92 1wm6 h ALA 47 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1wm6 h ALA 47 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wm6 h ALA 47 CO -0.02 0.47 0.20 0.22 0.00 0.00 0.00 179.25 180.12 1wm6 h ASP 48 N 0.73 0.50 -0.23 0.00 3.58 -0.33 -0.80 116.42 119.89 1wm6 h ASP 48 Ca 0.14 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.49 1wm6 h ASP 48 Cb 0.51 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1wm6 h ASP 48 CO 0.02 0.43 -0.12 0.28 -2.88 0.00 0.00 179.24 176.98 1wm6 h SER 49 N 0.57 0.49 -0.74 2.28 0.02 -0.97 0.63 113.55 115.83 1wm6 h SER 49 Ca 0.14 -0.42 -0.05 0.00 -0.84 0.00 0.00 61.79 60.62 1wm6 h SER 49 Cb 0.06 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1wm6 h SER 49 CO -0.02 0.80 0.25 0.00 -1.14 0.00 0.00 176.83 176.72 1wm6 h ALA 50 N 0.71 1.04 -0.02 3.77 0.00 -1.22 -0.61 119.26 122.91 1wm6 h ALA 50 Ca 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wm6 h ALA 50 Cb 0.62 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wm6 h ALA 50 CO 0.03 0.66 0.02 0.35 0.00 0.00 0.00 179.25 180.31 1wm6 h PHE 51 N 1.10 0.03 -0.86 0.00 3.57 -1.00 -0.31 116.94 119.48 1wm6 h PHE 51 Ca 0.24 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 1wm6 h PHE 51 Cb 0.28 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1wm6 h PHE 51 CO 0.02 0.06 0.42 0.00 -2.23 0.00 0.00 178.31 176.58 1wm6 h ALA 52 N 0.97 1.11 -0.24 2.41 0.00 -0.59 -1.71 119.26 121.20 1wm6 h ALA 52 Ca 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1wm6 h ALA 52 Cb 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1wm6 h ALA 52 CO -0.00 0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 179.84 1wm6 h LEU 53 N 1.22 0.43 -0.43 0.00 3.38 -0.88 -2.33 115.31 116.70 1wm6 h LEU 53 Ca 0.30 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1wm6 h LEU 53 Cb 0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1wm6 h LEU 53 CO -0.04 0.64 0.22 0.00 0.09 0.00 0.00 178.44 179.36 1wm6 h ALA 54 N 0.80 0.56 -0.15 1.53 0.00 -0.85 -2.90 119.26 118.25 1wm6 h ALA 54 Ca 0.07 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1wm6 h ALA 54 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wm6 h ALA 54 CO 0.01 0.11 -0.30 0.66 0.00 0.00 0.00 179.25 179.74 1wm6 h SER 55 N 0.56 0.29 0.60 0.00 4.64 -1.33 -2.45 113.55 115.87 1wm6 h SER 55 Ca 0.15 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1wm6 h SER 55 Cb 0.10 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1wm6 h SER 55 CO -0.02 0.58 0.00 0.59 -0.87 0.00 0.00 176.83 177.11 1wm6 n ASN 56 N -4.12 0.24 0.07 4.97 3.02 -0.88 -1.79 115.26 116.77 1wm6 n ASN 56 Ca -0.01 0.56 0.10 0.00 -0.03 0.00 0.00 54.58 55.20 1wm6 n ASN 56 Cb 0.40 -0.61 0.43 0.00 -0.61 0.00 0.00 39.78 39.39 1wm6 n ASN 56 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wm6 n THR 57 N -1.76 0.80 0.95 3.41 -2.24 -0.92 -2.08 114.28 112.45 1wm6 n THR 57 Ca 0.03 0.17 0.10 0.00 -2.27 0.00 0.00 64.05 62.08 1wm6 n THR 57 Cb 0.20 -0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 67.38 1wm6 n THR 57 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wm6 n ARG 58 N -1.91 0.86 0.00 -0.78 5.12 -0.74 -4.80 116.66 114.41 1wm6 n ARG 58 Ca 0.03 -0.54 0.00 0.00 -1.93 0.00 0.00 57.85 55.41 1wm6 n ARG 58 Cb 0.24 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 1wm6 n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wm6 n GLY 59 N 1.42 3.16 3.69 -0.13 0.00 -0.88 -5.08 105.19 107.37 1wm6 n GLY 59 Ca 0.07 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 1wm6 n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wm6 n PRO 60 N -1.53 1.36 -3.53 1.61 -0.04 -1.26 -4.26 135.00 127.36 1wm6 n PRO 60 Ca 0.00 0.51 -0.10 0.00 -0.04 0.00 0.00 63.50 63.87 1wm6 n PRO 60 Cb 0.00 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.05 1wm6 n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wm6 s ALA 61 N -1.36 -1.61 -0.06 0.55 0.00 -1.26 -1.95 121.76 116.07 1wm6 s ALA 61 Ca 0.73 0.49 0.03 0.00 0.00 0.00 0.00 51.96 53.22 1wm6 s ALA 61 Cb -0.43 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.43 1wm6 s ALA 61 CO 0.48 -0.81 -0.15 0.54 0.00 0.00 0.00 175.76 175.83 1wm6 s VAL 62 N -3.56 1.31 0.39 0.00 0.11 -0.31 -4.93 120.40 113.40 1wm6 s VAL 62 Ca 0.04 -0.61 -0.27 0.00 -2.93 0.00 0.00 61.98 58.21 1wm6 s VAL 62 Cb -0.02 -1.16 -0.10 0.00 -1.53 0.00 0.00 36.38 33.58 1wm6 s VAL 62 CO -0.08 0.39 1.37 0.00 -3.33 0.00 0.00 175.10 173.45 1wm6 s ALA 63 N 0.37 3.40 -0.01 1.54 0.00 -1.26 -0.45 121.76 125.34 1wm6 s ALA 63 Ca -0.10 1.37 -0.06 0.00 0.00 0.00 0.00 51.96 53.17 1wm6 s ALA 63 Cb -0.14 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1wm6 s ALA 63 CO 0.03 -0.91 -0.11 1.28 0.00 0.00 0.00 175.76 176.06 1wm6 n LEU 64 N 0.32 1.12 -3.96 0.00 4.77 0.35 -4.84 117.00 114.77 1wm6 n LEU 64 Ca 0.02 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.99 1wm6 n LEU 64 Cb 0.42 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.92 1wm6 n LEU 64 CO 0.59 -0.55 -0.41 -0.55 -1.33 0.00 0.00 177.39 175.14 1wm6 s SER 65 N -5.66 0.88 0.03 -1.43 0.15 -1.16 -5.01 113.70 101.50 1wm6 s SER 65 Ca -0.09 -0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.46 1wm6 s SER 65 Cb 0.01 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.07 1wm6 s SER 65 CO 0.13 0.04 -0.09 0.00 1.20 0.00 0.00 173.24 174.52 1wm6 s ARG 67 N -1.05 1.64 -0.12 0.00 3.52 0.67 -4.97 118.95 118.63 1wm6 s ARG 67 Ca -0.03 -0.73 -0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1wm6 s ARG 67 Cb -0.07 -1.59 0.03 0.00 -1.56 0.00 0.00 34.95 31.76 1wm6 s ARG 67 CO 0.00 0.43 -0.08 1.41 -0.81 0.00 0.00 175.30 176.26 1wm6 s MET 68 N -0.50 1.56 -0.23 5.12 -2.45 -1.26 -0.92 119.30 120.61 1wm6 s MET 68 Ca 0.08 -0.31 -0.04 0.00 -1.25 0.00 0.00 55.69 54.17 1wm6 s MET 68 Cb -0.08 -1.68 -0.01 0.00 1.25 0.00 0.00 34.83 34.32 1wm6 s MET 68 CO -0.01 -0.29 -0.03 -0.51 1.05 0.00 0.00 175.02 175.23 1wm6 s ASP 69 N 1.69 4.37 -0.10 1.11 1.01 0.74 -4.98 116.67 120.51 1wm6 s ASP 69 Ca 0.04 -0.42 -0.17 0.00 0.71 0.00 0.00 52.55 52.72 1wm6 s ASP 69 Cb -0.13 -1.75 -0.05 0.00 1.01 0.00 0.00 42.92 42.00 1wm6 s ASP 69 CO -0.08 -0.03 0.45 -0.31 0.21 0.00 0.00 175.17 175.40 1wm6 s TYR 70 N 1.48 3.55 -0.03 4.23 2.02 -1.26 -0.88 117.35 126.46 1wm6 s TYR 70 Ca 0.05 0.88 0.00 0.00 -0.37 0.00 0.00 57.07 57.64 1wm6 s TYR 70 Cb -0.14 -2.49 -0.02 0.00 -0.40 0.00 0.00 41.96 38.91 1wm6 s TYR 70 CO -0.03 0.26 -0.02 1.19 -1.57 0.00 0.00 175.55 175.38 1wm6 n PHE 71 N 3.33 0.00 -4.02 2.71 3.72 0.25 -4.98 117.46 118.47 1wm6 n PHE 71 Ca -0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.18 1wm6 n PHE 71 Cb 0.52 -0.11 -0.14 0.00 -0.94 0.00 0.00 39.48 38.81 1wm6 n PHE 71 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1wm6 s ARG 72 N -2.06 0.24 0.44 -1.08 0.52 -0.69 -5.04 118.95 111.28 1wm6 s ARG 72 Ca -0.04 -0.16 -0.17 0.00 -0.52 0.00 0.00 55.73 54.84 1wm6 s ARG 72 Cb 0.01 -0.19 -0.09 0.00 0.52 0.00 0.00 34.95 35.20 1wm6 s ARG 72 CO 0.07 0.05 0.90 -1.25 0.02 0.00 0.00 175.30 175.09 1wm6 s PRO 73 N -0.23 4.03 0.01 3.54 0.04 -1.26 -4.81 135.00 136.32 1wm6 s PRO 73 Ca -0.01 0.90 0.07 0.00 0.04 0.00 0.00 61.00 62.00 1wm6 s PRO 73 Cb -0.02 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1wm6 s PRO 73 CO -0.00 -0.08 -0.21 -0.51 0.04 0.00 0.00 177.00 176.23 1wm6 s LEU 74 N -3.54 2.10 0.49 -3.56 1.43 -1.26 -5.01 118.68 109.33 1wm6 s LEU 74 Ca 0.58 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 1wm6 s LEU 74 Cb -0.10 -1.06 0.03 0.00 0.03 0.00 0.00 46.19 45.09 1wm6 s LEU 74 CO 0.22 0.22 0.58 -0.83 0.23 0.00 0.00 176.35 176.78 1wm6 s GLY 75 N -0.83 1.97 0.36 -3.19 0.00 -1.26 0.07 107.32 104.43 1wm6 s GLY 75 Ca 0.08 -1.83 -0.28 0.00 0.00 0.00 0.00 44.72 42.70 1wm6 s GLY 75 CO 0.00 -1.65 1.41 0.00 0.00 0.00 0.00 173.10 172.87 1wm6 n ALA 76 N -1.91 1.95 0.00 3.20 0.00 -1.26 -2.37 120.51 120.12 1wm6 n ALA 76 Ca 0.08 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1wm6 n ALA 76 Cb 0.61 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1wm6 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wm6 n GLY 77 N 0.66 3.10 3.68 0.00 0.00 0.48 -4.99 105.19 108.14 1wm6 n GLY 77 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1wm6 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm6 n ALA 78 N -0.44 1.70 -2.72 4.61 0.00 -1.00 -4.63 120.51 118.04 1wm6 n ALA 78 Ca 0.00 0.42 -0.40 0.00 0.00 0.00 0.00 53.44 53.46 1wm6 n ALA 78 Cb 0.00 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 16.99 1wm6 n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wm6 s ARG 79 N 1.31 4.43 0.07 0.00 1.81 -1.26 -1.32 118.95 123.99 1wm6 s ARG 79 Ca 0.79 0.87 0.03 0.00 -1.72 0.00 0.00 55.73 55.70 1wm6 s ARG 79 Cb -0.63 -3.45 -0.03 0.00 -0.45 0.00 0.00 34.95 30.39 1wm6 s ARG 79 CO 0.38 0.06 -0.09 0.54 -0.68 0.00 0.00 175.30 175.50 1wm6 s VAL 80 N 0.83 0.71 0.04 3.52 0.11 -0.12 -4.23 120.40 121.25 1wm6 s VAL 80 Ca 0.37 -1.36 0.03 0.00 -2.93 0.00 0.00 61.98 58.09 1wm6 s VAL 80 Cb -0.18 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.67 1wm6 s VAL 80 CO 0.18 -0.48 -0.09 -1.61 -3.33 0.00 0.00 175.10 169.77 1wm6 s GLU 81 N -2.21 0.61 -0.18 1.54 2.02 0.91 -1.37 118.70 120.01 1wm6 s GLU 81 Ca -0.02 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.30 1wm6 s GLU 81 Cb -0.06 -0.49 0.01 0.00 0.10 0.00 0.00 34.13 33.69 1wm6 s GLU 81 CO -0.00 0.11 -0.16 0.00 0.02 0.00 0.00 175.26 175.22 1wm6 s ALA 82 N -1.03 2.45 -0.29 5.21 0.00 0.17 0.37 121.76 128.63 1wm6 s ALA 82 Ca -0.05 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 1wm6 s ALA 82 Cb -0.08 -1.29 0.05 0.00 0.00 0.00 0.00 23.12 21.80 1wm6 s ALA 82 CO 0.01 -0.31 -0.01 1.03 0.00 0.00 0.00 175.76 176.47 1wm6 s ARG 83 N 1.24 2.49 -0.20 0.00 0.52 0.52 -1.42 118.95 122.10 1wm6 s ARG 83 Ca 0.03 -1.22 -0.10 0.00 -0.52 0.00 0.00 55.73 53.92 1wm6 s ARG 83 Cb -0.14 -3.14 -0.05 0.00 0.52 0.00 0.00 34.95 32.14 1wm6 s ARG 83 CO -0.09 -0.58 0.12 0.00 0.02 0.00 0.00 175.30 174.77 1wm6 s ALA 84 N 1.26 3.63 0.10 2.13 0.00 0.79 -1.23 121.76 128.44 1wm6 s ALA 84 Ca -0.05 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.27 1wm6 s ALA 84 Cb -0.19 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1wm6 s ALA 84 CO -0.02 0.14 -0.18 0.14 0.00 0.00 0.00 175.76 175.85 1wm6 s VAL 85 N 0.40 1.48 0.03 0.00 -7.23 -0.37 -1.67 120.40 113.04 1wm6 s VAL 85 Ca 0.07 -1.50 -0.28 0.00 -1.81 0.00 0.00 61.98 58.46 1wm6 s VAL 85 Cb -0.11 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1wm6 s VAL 85 CO -0.01 -0.16 0.88 -0.70 -0.31 0.00 0.00 175.10 174.80 1wm6 s GLU 86 N -1.96 4.56 -0.16 4.82 2.12 -0.85 -1.42 118.70 125.81 1wm6 s GLU 86 Ca 0.04 1.26 0.08 0.00 0.36 0.00 0.00 54.97 56.71 1wm6 s GLU 86 Cb -0.09 -3.41 -0.16 0.00 0.26 0.00 0.00 34.13 30.73 1wm6 s GLU 86 CO 0.04 0.12 -0.04 0.28 -0.54 0.00 0.00 175.26 175.12 1wm6 n VAL 87 N 3.30 1.04 -3.71 3.70 0.31 -0.27 -4.91 118.33 117.80 1wm6 n VAL 87 Ca 0.02 -0.54 -0.13 0.00 -0.01 0.00 0.00 64.34 63.68 1wm6 n VAL 87 Cb 0.50 -0.84 -0.09 0.00 -0.91 0.00 0.00 33.84 32.50 1wm6 n VAL 87 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1wm6 s ASN 88 N -5.24 -0.52 -0.13 4.52 2.47 -1.09 -4.97 114.94 109.98 1wm6 s ASN 88 Ca -0.15 0.98 -0.01 0.00 0.42 0.00 0.00 52.86 54.10 1wm6 s ASN 88 Cb 0.05 0.97 0.04 0.00 -1.45 0.00 0.00 41.25 40.86 1wm6 s ASN 88 CO 0.53 -0.17 -0.02 -0.22 -3.72 0.00 0.00 177.10 173.50 1wm6 s LEU 89 N 0.46 1.13 0.50 3.21 2.96 -1.26 -0.92 118.68 124.76 1wm6 s LEU 89 Ca -0.02 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1wm6 s LEU 89 Cb -0.04 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 45.95 1wm6 s LEU 89 CO -0.02 -0.20 0.04 -0.44 -1.32 0.00 0.00 176.35 174.41 1wm6 s SER 90 N 1.80 4.16 0.15 3.68 0.01 0.95 -5.01 113.70 119.44 1wm6 s SER 90 Ca 0.02 -1.57 -0.15 0.00 1.31 0.00 0.00 55.95 55.55 1wm6 s SER 90 Cb -0.14 0.40 0.02 0.00 0.21 0.00 0.00 66.02 66.50 1wm6 s SER 90 CO -0.07 -0.83 1.73 -0.09 0.41 0.00 0.00 173.24 174.39 1wm6 h ARG 91 N 1.34 0.62 -0.01 12.44 2.43 -2.01 -3.31 114.38 125.88 1wm6 h ARG 91 Ca -0.43 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1wm6 h ARG 91 Cb 1.31 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1wm6 h ARG 91 CO 0.73 0.52 -0.44 0.54 -1.51 0.00 0.00 179.97 179.82 1wm6 n ARG 92 N -4.67 2.28 -3.97 0.20 5.12 -1.26 -4.81 116.66 109.54 1wm6 n ARG 92 Ca 0.01 -0.38 -0.09 0.00 -1.93 0.00 0.00 57.85 55.46 1wm6 n ARG 92 Cb 0.10 -1.15 -0.08 0.00 -1.16 0.00 0.00 32.46 30.17 1wm6 n ARG 92 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1wm6 s THR 93 N -1.93 0.09 -0.02 0.55 -4.23 -1.25 -0.31 115.64 108.55 1wm6 s THR 93 Ca 0.08 -1.44 -0.18 0.00 -1.18 0.00 0.00 61.69 58.98 1wm6 s THR 93 Cb 0.10 -1.75 0.03 0.00 1.34 0.00 0.00 72.50 72.22 1wm6 s THR 93 CO 0.43 -0.42 0.38 0.00 -0.54 0.00 0.00 174.62 174.47 1wm6 s ALA 94 N -3.96 -0.98 0.03 3.99 0.00 -1.02 -0.03 121.76 119.79 1wm6 s ALA 94 Ca 0.15 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.67 1wm6 s ALA 94 Cb 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1wm6 s ALA 94 CO -0.02 -0.29 -0.15 0.99 0.00 0.00 0.00 175.76 176.29 1wm6 s THR 95 N -1.34 1.15 0.05 0.00 2.01 -0.10 -0.65 115.64 116.77 1wm6 s THR 95 Ca -0.13 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 60.97 1wm6 s THR 95 Cb -0.04 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 1wm6 s THR 95 CO 0.05 0.08 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.65 1wm6 s TYR 96 N -0.74 0.88 -0.11 4.92 1.51 0.71 -1.11 117.35 123.41 1wm6 s TYR 96 Ca 0.03 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.59 1wm6 s TYR 96 Cb -0.07 -0.51 -0.03 0.00 -0.11 0.00 0.00 41.96 41.24 1wm6 s TYR 96 CO 0.01 -0.03 -0.04 0.50 -1.11 0.00 0.00 175.55 174.88 1wm6 s ARG 97 N -1.65 3.18 -0.13 -0.62 3.52 -0.51 -1.21 118.95 121.54 1wm6 s ARG 97 Ca -0.07 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.02 1wm6 s ARG 97 Cb -0.10 -2.77 0.03 0.00 -1.56 0.00 0.00 34.95 30.55 1wm6 s ARG 97 CO 0.01 0.50 -0.06 0.08 -0.81 0.00 0.00 175.30 175.02 1wm6 s VAL 98 N -0.35 1.00 -0.14 7.11 1.01 0.56 -1.24 120.40 128.35 1wm6 s VAL 98 Ca 0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1wm6 s VAL 98 Cb -0.12 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1wm6 s VAL 98 CO 0.02 0.26 0.31 -1.61 0.00 0.00 0.00 175.10 174.08 1wm6 s GLU 99 N 1.70 4.21 -0.33 2.72 2.02 -0.36 -0.91 118.70 127.76 1wm6 s GLU 99 Ca 0.03 0.14 -0.12 0.00 0.02 0.00 0.00 54.97 55.04 1wm6 s GLU 99 Cb -0.14 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 1wm6 s GLU 99 CO -0.08 0.28 0.22 0.08 0.02 0.00 0.00 175.26 175.78 1wm6 s VAL 100 N 0.33 5.16 0.04 2.63 1.01 -0.28 -0.36 120.40 128.93 1wm6 s VAL 100 Ca 0.18 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.03 1wm6 s VAL 100 Cb -0.13 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1wm6 s VAL 100 CO 0.05 0.03 -0.25 -0.69 0.00 0.00 0.00 175.10 174.24 1wm6 s VAL 101 N 1.71 2.02 -0.14 2.92 1.01 0.16 0.21 120.40 128.28 1wm6 s VAL 101 Ca 0.06 -1.33 -0.04 0.00 0.00 0.00 0.00 61.98 60.67 1wm6 s VAL 101 Cb -0.17 -1.73 0.07 0.00 0.00 0.00 0.00 36.38 34.55 1wm6 s VAL 101 CO 0.10 0.34 0.20 -0.55 0.00 0.00 0.00 175.10 175.19 1wm6 s SER 102 N -1.19 0.97 -1.37 3.32 0.15 -0.66 -0.06 113.70 114.85 1wm6 s SER 102 Ca 0.11 0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.86 1wm6 s SER 102 Cb -0.10 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.62 1wm6 s SER 102 CO 0.02 -0.28 0.72 -0.62 1.20 0.00 0.00 173.24 174.28 1wm6 n GLU 103 N 5.33 -4.83 -0.67 5.44 -0.58 -1.26 -1.70 120.64 122.37 1wm6 n GLU 103 Ca -0.05 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1wm6 n GLU 103 Cb 0.50 -5.16 0.00 0.00 -0.57 0.00 0.00 31.44 26.21 1wm6 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wm6 n GLY 104 N -1.65 1.00 3.84 0.62 0.00 -1.26 -5.00 105.19 102.74 1wm6 n GLY 104 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1wm6 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wm6 s LYS 105 N -0.23 3.36 -0.54 1.61 -0.14 -0.69 -5.05 119.74 118.06 1wm6 s LYS 105 Ca 0.00 -0.19 -0.29 0.00 -1.36 0.00 0.00 55.97 54.14 1wm6 s LYS 105 Cb 0.00 -3.11 0.03 0.00 -1.68 0.00 0.00 37.83 33.07 1wm6 s LYS 105 CO 0.00 0.76 1.17 -1.17 -0.76 0.00 0.00 175.35 175.35 1wm6 s LEU 106 N -0.98 3.53 0.03 3.17 2.96 -1.26 -1.66 118.68 124.46 1wm6 s LEU 106 Ca 0.15 0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 54.22 1wm6 s LEU 106 Cb -0.12 -3.33 -0.32 0.00 0.50 0.00 0.00 46.19 42.92 1wm6 s LEU 106 CO 0.04 -1.39 0.97 0.58 -1.32 0.00 0.00 176.35 175.23 1wm6 h VAL 107 N 6.20 1.27 -3.04 1.68 2.07 -0.57 -3.41 116.25 120.45 1wm6 h VAL 107 Ca -0.24 -2.80 -0.02 0.00 0.82 0.00 0.00 66.70 64.46 1wm6 h VAL 107 Cb 1.06 2.93 -0.12 0.00 -1.52 0.00 0.00 31.29 33.64 1wm6 h VAL 107 CO 1.16 0.84 0.17 0.00 0.02 0.00 0.00 177.57 179.77 1wm6 s ALA 108 N -2.62 -1.51 -0.08 1.67 0.00 -1.12 -0.59 121.76 117.51 1wm6 s ALA 108 Ca -0.08 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.32 1wm6 s ALA 108 Cb 0.06 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.04 1wm6 s ALA 108 CO 0.90 -0.75 -0.13 -1.17 0.00 0.00 0.00 175.76 174.61 1wm6 s LEU 109 N -2.74 1.65 0.03 0.00 2.96 -0.06 -1.13 118.68 119.40 1wm6 s LEU 109 Ca 0.01 -0.34 0.09 0.00 -0.22 0.00 0.00 54.13 53.67 1wm6 s LEU 109 Cb -0.01 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.74 1wm6 s LEU 109 CO -0.13 0.03 -0.26 0.12 -1.32 0.00 0.00 176.35 174.79 1wm6 s PHE 110 N 0.79 2.27 -0.04 5.38 2.19 -0.09 -0.19 117.98 128.29 1wm6 s PHE 110 Ca -0.12 -0.41 0.02 0.00 0.33 0.00 0.00 56.93 56.75 1wm6 s PHE 110 Cb -0.16 -1.38 0.01 0.00 -1.31 0.00 0.00 43.02 40.18 1wm6 s PHE 110 CO 0.02 0.08 -0.09 0.99 1.83 0.00 0.00 175.22 178.05 1wm6 s THR 111 N -0.75 0.87 -0.00 0.12 2.01 -0.10 -0.32 115.64 117.46 1wm6 s THR 111 Ca 0.11 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 1wm6 s THR 111 Cb -0.10 -0.80 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 1wm6 s THR 111 CO 0.01 0.28 0.04 -0.83 -0.69 0.00 0.00 174.62 173.43 1wm6 s GLY 112 N 0.46 0.06 -0.01 4.40 0.00 -0.35 -0.24 107.32 111.65 1wm6 s GLY 112 Ca -0.08 -0.12 0.06 0.00 0.00 0.00 0.00 44.72 44.58 1wm6 s GLY 112 CO 0.01 -0.17 -0.20 -1.59 0.00 0.00 0.00 173.10 171.16 1wm6 s THR 113 N -0.63 1.56 0.25 0.90 2.01 -0.25 -0.20 115.64 119.27 1wm6 s THR 113 Ca -0.07 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.15 1wm6 s THR 113 Cb -0.04 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 1wm6 s THR 113 CO -0.00 0.43 -0.12 0.68 -0.69 0.00 0.00 174.62 174.92 1wm6 s VAL 114 N -0.48 1.86 -0.20 3.82 -7.23 0.18 -0.50 120.40 117.85 1wm6 s VAL 114 Ca 0.08 -2.21 -0.06 0.00 -1.81 0.00 0.00 61.98 57.97 1wm6 s VAL 114 Cb -0.08 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1wm6 s VAL 114 CO -0.01 -0.43 0.03 0.12 -0.31 0.00 0.00 175.10 174.50 1wm6 s PHE 115 N -2.89 3.11 -0.17 2.82 2.19 0.40 -2.42 117.98 121.02 1wm6 s PHE 115 Ca 0.27 -0.26 -0.24 0.00 0.33 0.00 0.00 56.93 57.03 1wm6 s PHE 115 Cb 0.00 -2.10 -0.02 0.00 -1.31 0.00 0.00 43.02 39.59 1wm6 s PHE 115 CO 0.11 -0.12 0.77 1.03 1.83 0.00 0.00 175.22 178.84 1wm6 s ARG 116 N 0.87 4.28 0.00 10.12 0.52 0.58 -1.16 118.95 134.15 1wm6 s ARG 116 Ca 0.02 0.90 0.30 0.00 -0.52 0.00 0.00 55.73 56.43 1wm6 s ARG 116 Cb -0.14 -3.57 1.82 0.00 0.52 0.00 0.00 34.95 33.58 1wm6 s ARG 116 CO 0.02 -0.28 2.15 1.28 0.02 0.00 0.00 175.30 178.48