#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm6 s ASP 3 N 0.00 5.12 0.24 0.55 -1.08 -1.26 -5.00 116.67 115.23 1wm6 s ASP 3 Ca 0.00 -1.33 -0.07 0.00 -0.52 0.00 0.00 52.55 50.63 1wm6 s ASP 3 Cb 0.00 -1.79 0.43 0.00 -1.46 0.00 0.00 42.92 40.09 1wm6 s ASP 3 CO 0.00 -0.33 1.67 -0.65 0.52 0.00 0.00 175.17 176.37 1wm6 h PRO 4 N 8.10 0.18 -0.46 4.34 0.11 -2.03 0.17 132.00 142.41 1wm6 h PRO 4 Ca -0.21 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.80 1wm6 h PRO 4 Cb 1.07 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1wm6 h PRO 4 CO 0.59 0.12 -0.07 0.35 -0.21 0.00 0.00 178.00 178.77 1wm6 h PHE 5 N 0.19 0.95 -0.66 0.65 3.57 -1.99 0.56 116.94 120.21 1wm6 h PHE 5 Ca 0.40 -0.19 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1wm6 h PHE 5 Cb 0.69 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1wm6 h PHE 5 CO -0.33 0.93 0.26 0.52 -2.23 0.00 0.00 178.31 177.47 1wm6 h MET 6 N 0.69 0.99 -0.19 1.11 2.86 -1.69 -1.91 114.93 116.80 1wm6 h MET 6 Ca 0.12 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1wm6 h MET 6 Cb 0.60 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1wm6 h MET 6 CO 0.04 0.83 0.12 1.49 1.06 0.00 0.00 176.91 180.45 1wm6 h GLU 7 N 0.94 0.24 -0.49 1.72 4.57 -0.41 0.19 114.58 121.34 1wm6 h GLU 7 Ca 0.22 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.43 1wm6 h GLU 7 Cb 0.21 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1wm6 h GLU 7 CO -0.02 0.16 0.32 0.00 -1.18 0.00 0.00 179.01 178.30 1wm6 h ALA 8 N 1.07 1.84 -0.00 2.92 0.00 -0.54 -0.54 119.26 124.01 1wm6 h ALA 8 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wm6 h ALA 8 Cb -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1wm6 h ALA 8 CO -0.02 0.09 -0.36 1.28 0.00 0.00 0.00 179.25 180.23 1wm6 n LEU 9 N -4.48 0.73 -0.35 0.00 4.77 -0.75 -4.95 117.00 111.99 1wm6 n LEU 9 Ca 0.06 -0.11 -0.03 0.00 -0.03 0.00 0.00 56.01 55.89 1wm6 n LEU 9 Cb 0.19 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1wm6 n LEU 9 CO 0.35 0.15 -0.04 0.61 -1.33 0.00 0.00 177.39 177.13 1wm6 n GLY 10 N 1.42 0.25 3.78 -0.72 0.00 -0.10 -4.80 105.19 105.02 1wm6 n GLY 10 Ca 0.09 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.88 4.51 -0.02 0.99 1.43 0.49 -4.62 118.68 120.58 1wm6 s LEU 11 Ca 0.00 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 54.81 1wm6 s LEU 11 Cb -0.00 -3.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.72 1wm6 s LEU 11 CO 0.00 0.13 -0.20 -0.54 0.23 0.00 0.00 176.35 175.97 1wm6 s LYS 12 N -1.46 1.75 -0.32 1.70 -0.14 0.67 -4.60 119.74 117.35 1wm6 s LYS 12 Ca 0.40 -0.72 -0.25 0.00 -1.36 0.00 0.00 55.97 54.03 1wm6 s LYS 12 Cb -0.21 -1.64 0.01 0.00 -1.68 0.00 0.00 37.83 34.31 1wm6 s LYS 12 CO 0.25 0.40 0.88 0.08 -0.76 0.00 0.00 175.35 176.21 1wm6 s VAL 13 N -0.36 4.68 -0.13 3.17 1.01 -1.26 -0.02 120.40 127.50 1wm6 s VAL 13 Ca 0.05 1.32 0.18 0.00 0.00 0.00 0.00 61.98 63.53 1wm6 s VAL 13 Cb -0.09 -4.25 -0.20 0.00 0.00 0.00 0.00 36.38 31.84 1wm6 s VAL 13 CO 0.00 -0.36 0.58 0.18 0.00 0.00 0.00 175.10 175.50 1wm6 n LEU 14 N 6.47 0.48 -3.65 3.92 4.77 0.23 -4.97 117.00 124.25 1wm6 n LEU 14 Ca 0.06 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1wm6 n LEU 14 Cb 0.48 0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1wm6 n LEU 14 CO 0.54 0.19 0.35 -2.28 -1.33 0.00 0.00 177.39 174.86 1wm6 s HIS 15 N -2.95 -0.81 -0.11 -1.77 5.04 -1.15 -4.96 115.29 108.58 1wm6 s HIS 15 Ca -0.06 1.86 -0.03 0.00 -1.54 0.00 0.00 55.06 55.29 1wm6 s HIS 15 Cb 0.09 0.35 0.05 0.00 0.04 0.00 0.00 32.58 33.11 1wm6 s HIS 15 CO 0.83 -0.40 0.13 -1.17 -2.34 0.00 0.00 174.74 171.80 1wm6 s LEU 16 N 0.71 0.05 0.26 8.88 2.96 -1.26 -1.22 118.68 129.06 1wm6 s LEU 16 Ca -0.03 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1wm6 s LEU 16 Cb -0.05 0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.70 1wm6 s LEU 16 CO -0.05 -0.28 0.22 0.00 -1.32 0.00 0.00 176.35 174.93 1wm6 s ALA 17 N 2.24 1.33 -0.23 5.97 0.00 -0.91 -5.03 121.76 125.12 1wm6 s ALA 17 Ca 0.04 -1.79 -0.32 0.00 0.00 0.00 0.00 51.96 49.89 1wm6 s ALA 17 Cb -0.13 1.39 -0.09 0.00 0.00 0.00 0.00 23.12 24.29 1wm6 s ALA 17 CO -0.07 -0.64 2.14 -2.30 0.00 0.00 0.00 175.76 174.89 1wm6 n PRO 18 N -0.42 1.70 -1.07 0.00 -0.02 -1.26 -1.86 135.00 132.07 1wm6 n PRO 18 Ca 0.04 0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 62.00 1wm6 n PRO 18 Cb 0.64 -2.82 -0.01 0.00 -0.02 0.00 0.00 33.50 31.29 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 5.75 0.57 3.29 -1.23 0.00 -1.26 -5.00 105.19 107.31 1wm6 n GLY 19 Ca 0.32 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.43 0.95 0.00 1.61 -1.05 -0.78 -2.64 118.70 115.36 1wm6 s GLU 20 Ca 0.00 -0.60 -0.28 0.00 -0.15 0.00 0.00 54.97 53.94 1wm6 s GLU 20 Cb 0.00 0.41 0.09 0.00 -0.44 0.00 0.00 34.13 34.20 1wm6 s GLU 20 CO 0.00 -0.34 0.81 0.00 0.95 0.00 0.00 175.26 176.68 1wm6 s ALA 21 N -3.18 -1.78 -0.04 -0.84 0.00 -0.93 -2.15 121.76 112.84 1wm6 s ALA 21 Ca -0.01 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1wm6 s ALA 21 Cb 0.01 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.44 1wm6 s ALA 21 CO -0.07 -0.60 -0.01 0.08 0.00 0.00 0.00 175.76 175.15 1wm6 s VAL 22 N -2.67 0.35 0.00 0.00 1.01 -0.36 -0.04 120.40 118.69 1wm6 s VAL 22 Ca 0.01 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.09 1wm6 s VAL 22 Cb -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1wm6 s VAL 22 CO -0.06 0.20 -0.23 -0.69 0.00 0.00 0.00 175.10 174.33 1wm6 s VAL 23 N 1.22 1.83 0.18 2.92 1.01 -0.39 -0.60 120.40 126.57 1wm6 s VAL 23 Ca -0.07 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 60.91 1wm6 s VAL 23 Cb -0.13 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1wm6 s VAL 23 CO -0.02 0.43 -0.18 0.00 0.00 0.00 0.00 175.10 175.33 1wm6 s ALA 24 N -0.63 2.05 0.24 5.51 0.00 0.97 0.07 121.76 129.97 1wm6 s ALA 24 Ca 0.09 -1.54 -0.22 0.00 0.00 0.00 0.00 51.96 50.29 1wm6 s ALA 24 Cb -0.09 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.90 1wm6 s ALA 24 CO 0.00 0.21 0.81 0.20 0.00 0.00 0.00 175.76 176.98 1wm6 s GLY 25 N -2.82 -0.10 -0.04 0.00 0.00 -0.17 -0.24 107.32 103.95 1wm6 s GLY 25 Ca 0.18 -0.20 0.04 0.00 0.00 0.00 0.00 44.72 44.73 1wm6 s GLY 25 CO 0.07 -0.00 -0.15 1.85 0.00 0.00 0.00 173.10 174.87 1wm6 s GLU 26 N -3.55 1.59 -0.28 2.90 2.12 -1.26 -1.13 118.70 119.09 1wm6 s GLU 26 Ca 0.12 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.64 1wm6 s GLU 26 Cb -0.04 -1.39 -0.02 0.00 0.26 0.00 0.00 34.13 32.94 1wm6 s GLU 26 CO 0.06 0.19 1.61 0.08 -0.54 0.00 0.00 175.26 176.66 1wm6 s VAL 27 N 0.13 3.70 0.50 3.70 1.01 -0.38 -4.91 120.40 124.15 1wm6 s VAL 27 Ca -0.05 0.76 0.08 0.00 0.00 0.00 0.00 61.98 62.77 1wm6 s VAL 27 Cb -0.11 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1wm6 s VAL 27 CO 0.02 -0.41 0.69 -0.13 0.00 0.00 0.00 175.10 175.27 1wm6 s ARG 28 N 4.94 2.55 0.49 2.72 0.52 -1.26 0.87 118.95 129.78 1wm6 s ARG 28 Ca 0.71 -1.38 0.18 0.00 -0.52 0.00 0.00 55.73 54.72 1wm6 s ARG 28 Cb -0.22 -2.68 1.20 0.00 0.52 0.00 0.00 34.95 33.77 1wm6 s ARG 28 CO 0.31 -0.59 2.06 0.00 0.02 0.00 0.00 175.30 177.10 1wm6 h ALA 29 N 0.37 1.68 -0.18 2.13 0.00 -1.98 -1.86 119.26 119.42 1wm6 h ALA 29 Ca -0.36 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1wm6 h ALA 29 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wm6 h ALA 29 CO 0.43 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.43 1wm6 n ASP 30 N -4.22 0.99 -0.52 0.00 5.75 -1.26 -3.44 116.55 113.85 1wm6 n ASP 30 Ca -0.03 -1.94 0.05 0.00 -0.01 0.00 0.00 54.79 52.87 1wm6 n ASP 30 Cb 0.20 -0.12 0.11 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.02 0.28 -2.77 2.11 8.25 -0.70 -5.04 115.22 117.36 1wm6 n HIS 31 Ca 0.08 -0.33 -0.24 0.00 -0.26 0.00 0.00 57.72 56.97 1wm6 n HIS 31 Cb 0.17 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.95 3.49 0.00 2.41 1.43 -1.22 -0.10 118.68 123.74 1wm6 s LEU 32 Ca 0.18 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 1wm6 s LEU 32 Cb 0.10 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 43.09 1wm6 s LEU 32 CO 0.14 -0.84 0.31 -0.46 0.23 0.00 0.00 176.35 175.72 1wm6 n ASN 33 N -2.26 1.48 0.23 2.29 0.23 0.17 -4.56 115.26 112.85 1wm6 n ASN 33 Ca 0.03 -1.87 0.10 0.00 -0.53 0.00 0.00 54.58 52.31 1wm6 n ASN 33 Cb 0.58 -0.12 0.57 0.00 -2.08 0.00 0.00 39.78 38.73 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 0.00 -0.03 -4.53 3.38 -2.00 -2.07 115.31 110.07 1wm6 h LEU 34 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wm6 h LEU 34 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1wm6 h LEU 34 CO 0.24 0.20 0.00 1.57 0.09 0.00 0.00 178.44 180.54 1wm6 n HIS 35 N -3.63 0.08 -0.44 1.13 -0.00 -1.26 -4.90 115.22 106.20 1wm6 n HIS 35 Ca -0.01 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1wm6 n HIS 35 Cb 0.33 -0.54 0.00 0.00 -0.12 0.00 0.00 29.99 29.66 1wm6 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wm6 n GLY 36 N 0.82 0.77 3.82 1.57 0.00 -0.78 -5.07 105.19 106.32 1wm6 n GLY 36 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.15 2.00 0.20 2.61 -4.23 -1.26 -4.52 115.64 108.29 1wm6 s THR 37 Ca 0.00 -1.60 -0.32 0.00 -1.18 0.00 0.00 61.69 58.59 1wm6 s THR 37 Cb 0.00 -2.60 -0.12 0.00 1.34 0.00 0.00 72.50 71.12 1wm6 s THR 37 CO 0.00 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 175.81 1wm6 s ALA 38 N -2.67 3.93 0.33 3.99 0.00 -0.13 -0.65 121.76 126.54 1wm6 s ALA 38 Ca 0.36 1.58 -0.29 0.00 0.00 0.00 0.00 51.96 53.60 1wm6 s ALA 38 Cb 0.00 -3.70 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 1wm6 s ALA 38 CO 0.21 -0.95 1.52 -1.58 0.00 0.00 0.00 175.76 174.96 1wm6 s HIS 39 N 1.31 2.71 0.44 0.00 2.46 0.85 -4.71 115.29 118.35 1wm6 s HIS 39 Ca 0.75 0.99 0.20 0.00 0.47 0.00 0.00 55.06 57.47 1wm6 s HIS 39 Cb -0.49 -4.01 1.15 0.00 -0.13 0.00 0.00 32.58 29.09 1wm6 s HIS 39 CO 0.32 -3.20 1.88 0.78 -2.47 0.00 0.00 174.74 172.06 1wm6 h GLY 40 N 4.02 0.67 2.00 1.59 0.00 -1.91 0.12 103.07 109.56 1wm6 h GLY 40 Ca -0.49 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 1wm6 h GLY 40 CO 0.72 0.01 -0.23 -1.33 0.00 0.00 0.00 176.54 175.71 1wm6 h GLY 41 N 0.33 0.00 0.21 4.60 0.00 -1.95 -1.62 103.07 104.64 1wm6 h GLY 41 Ca 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.76 1wm6 h GLY 41 CO -0.13 0.00 -0.00 -2.75 0.00 0.00 0.00 176.54 173.65 1wm6 h PHE 42 N 0.00 -0.01 -0.77 5.60 3.57 -1.07 -1.77 116.94 122.49 1wm6 h PHE 42 Ca -0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1wm6 h PHE 42 Cb 0.64 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1wm6 h PHE 42 CO 0.00 0.76 0.46 -0.07 -2.23 0.00 0.00 178.31 177.24 1wm6 h LEU 43 N -0.79 0.72 -0.42 0.59 3.38 -1.44 -1.72 115.31 115.62 1wm6 h LEU 43 Ca -0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1wm6 h LEU 43 Cb 0.77 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1wm6 h LEU 43 CO 0.00 0.46 0.12 0.22 0.09 0.00 0.00 178.44 179.33 1wm6 h TYR 44 N 0.85 0.69 -0.70 1.13 5.03 -1.35 -2.27 116.97 120.36 1wm6 h TYR 44 Ca 0.34 -0.08 0.05 0.00 2.58 0.00 0.00 58.73 61.62 1wm6 h TYR 44 Cb 0.17 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.21 1wm6 h TYR 44 CO -0.05 0.64 0.46 0.00 -1.32 0.00 0.00 178.16 177.89 1wm6 h ALA 45 N 0.97 1.67 0.23 1.82 0.00 -0.68 0.51 119.26 123.79 1wm6 h ALA 45 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wm6 h ALA 45 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wm6 h ALA 45 CO -0.00 0.24 -0.11 1.25 0.00 0.00 0.00 179.25 180.62 1wm6 h LEU 46 N 0.77 -0.27 -0.32 0.00 5.85 -1.03 -0.94 115.31 119.38 1wm6 h LEU 46 Ca 0.29 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1wm6 h LEU 46 Cb 0.18 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1wm6 h LEU 46 CO -0.09 -0.03 0.18 0.00 -0.34 0.00 0.00 178.44 178.16 1wm6 h ALA 47 N 0.22 0.41 -0.56 1.25 0.00 -0.81 -2.59 119.26 117.18 1wm6 h ALA 47 Ca -0.03 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1wm6 h ALA 47 Cb 0.37 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1wm6 h ALA 47 CO 0.05 -0.07 0.37 0.22 0.00 0.00 0.00 179.25 179.82 1wm6 h ASP 48 N 0.40 0.61 -0.33 0.00 3.58 0.03 -0.17 116.42 120.53 1wm6 h ASP 48 Ca 0.11 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 1wm6 h ASP 48 Cb 0.05 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1wm6 h ASP 48 CO -0.02 0.43 0.03 0.28 -2.88 0.00 0.00 179.24 177.08 1wm6 h SER 49 N 0.71 0.56 -0.42 2.28 0.02 -0.80 0.16 113.55 116.06 1wm6 h SER 49 Ca 0.21 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1wm6 h SER 49 Cb -0.01 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1wm6 h SER 49 CO -0.05 0.71 0.13 0.00 -1.14 0.00 0.00 176.83 176.47 1wm6 h ALA 50 N 0.87 0.55 -0.14 3.77 0.00 -1.06 -1.77 119.26 121.48 1wm6 h ALA 50 Ca 0.10 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1wm6 h ALA 50 Cb 0.40 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1wm6 h ALA 50 CO 0.01 0.20 -0.18 0.35 0.00 0.00 0.00 179.25 179.63 1wm6 h PHE 51 N 0.54 -0.46 -0.18 0.00 3.57 -0.84 0.91 116.94 120.48 1wm6 h PHE 51 Ca 0.14 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1wm6 h PHE 51 Cb 0.26 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1wm6 h PHE 51 CO 0.01 -0.25 0.10 0.00 -2.23 0.00 0.00 178.31 175.93 1wm6 h ALA 52 N 0.81 0.22 -0.67 2.41 0.00 -0.49 -0.53 119.26 121.01 1wm6 h ALA 52 Ca 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1wm6 h ALA 52 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1wm6 h ALA 52 CO -0.27 -0.32 0.36 -0.07 0.00 0.00 0.00 179.25 178.95 1wm6 h LEU 53 N 0.21 0.85 -0.10 0.00 3.38 -1.05 -1.11 115.31 117.48 1wm6 h LEU 53 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1wm6 h LEU 53 Cb 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1wm6 h LEU 53 CO -0.04 0.71 0.04 0.00 0.09 0.00 0.00 178.44 179.23 1wm6 h ALA 54 N 1.17 0.13 -0.42 1.53 0.00 -0.56 -3.14 119.26 117.97 1wm6 h ALA 54 Ca 0.24 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1wm6 h ALA 54 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1wm6 h ALA 54 CO -0.04 -0.27 -0.11 0.66 0.00 0.00 0.00 179.25 179.50 1wm6 h SER 55 N -0.01 0.72 0.29 0.00 4.64 -0.95 -2.88 113.55 115.36 1wm6 h SER 55 Ca 0.03 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1wm6 h SER 55 Cb 0.20 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1wm6 h SER 55 CO -0.00 0.86 0.00 0.59 -0.87 0.00 0.00 176.83 177.41 1wm6 n ASN 56 N -4.17 0.00 0.19 4.97 3.02 -0.43 -1.56 115.26 117.28 1wm6 n ASN 56 Ca 0.01 0.12 0.13 0.00 -0.03 0.00 0.00 54.58 54.82 1wm6 n ASN 56 Cb 0.36 -0.31 0.38 0.00 -0.61 0.00 0.00 39.78 39.60 1wm6 n ASN 56 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1wm6 h THR 57 N 0.00 0.00 -0.01 3.41 1.35 -1.49 -2.72 112.91 113.45 1wm6 h THR 57 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1wm6 h THR 57 Cb 0.15 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1wm6 h THR 57 CO 0.00 0.00 -0.40 0.54 -0.25 0.00 0.00 175.52 175.41 1wm6 n ARG 58 N -2.76 0.66 0.00 4.72 5.12 -0.60 -4.85 116.66 118.96 1wm6 n ARG 58 Ca 0.04 -0.44 0.00 0.00 -1.93 0.00 0.00 57.85 55.52 1wm6 n ARG 58 Cb 0.42 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 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 1.40 3.45 3.66 -0.13 0.00 -1.03 -5.06 105.19 107.49 1wm6 n GLY 59 Ca 0.10 -1.83 -0.46 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.45 2.05 -3.84 1.61 -0.04 -1.26 -4.31 135.00 127.76 1wm6 n PRO 60 Ca 0.00 0.74 -0.11 0.00 -0.04 0.00 0.00 63.50 64.09 1wm6 n PRO 60 Cb 0.00 -2.49 -0.09 0.00 -0.04 0.00 0.00 33.50 30.89 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 0.77 -0.39 -0.07 0.55 0.00 -1.26 -1.21 121.76 120.14 1wm6 s ALA 61 Ca 0.78 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.57 1wm6 s ALA 61 Cb -0.70 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 1wm6 s ALA 61 CO 0.40 -0.34 -0.22 0.54 0.00 0.00 0.00 175.76 176.14 1wm6 s VAL 62 N -2.36 1.88 0.37 0.00 0.11 -0.14 -4.92 120.40 115.35 1wm6 s VAL 62 Ca -0.07 -0.94 -0.28 0.00 -2.93 0.00 0.00 61.98 57.76 1wm6 s VAL 62 Cb -0.02 -1.62 -0.10 0.00 -1.53 0.00 0.00 36.38 33.11 1wm6 s VAL 62 CO -0.03 0.52 1.42 0.00 -3.33 0.00 0.00 175.10 173.68 1wm6 s ALA 63 N 0.15 3.49 -0.01 1.54 0.00 -1.26 -0.56 121.76 125.11 1wm6 s ALA 63 Ca -0.11 1.45 -0.05 0.00 0.00 0.00 0.00 51.96 53.25 1wm6 s ALA 63 Cb -0.15 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 1wm6 s ALA 63 CO 0.06 -0.94 -0.10 1.28 0.00 0.00 0.00 175.76 176.06 1wm6 n LEU 64 N 0.46 1.04 -3.93 0.00 4.77 -0.17 -4.85 117.00 114.33 1wm6 n LEU 64 Ca 0.01 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 1wm6 n LEU 64 Cb 0.41 -0.42 -0.15 0.00 -2.33 0.00 0.00 43.42 40.92 1wm6 n LEU 64 CO 0.61 -0.54 -0.40 -0.55 -1.33 0.00 0.00 177.39 175.18 1wm6 s SER 65 N -5.57 0.73 0.02 -1.43 0.15 -1.19 -5.02 113.70 101.39 1wm6 s SER 65 Ca -0.09 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.49 1wm6 s SER 65 Cb 0.01 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1wm6 s SER 65 CO 0.13 0.02 -0.09 0.00 1.20 0.00 0.00 173.24 174.49 1wm6 s ARG 67 N -0.77 1.79 -0.10 0.00 3.52 0.14 -4.97 118.95 118.55 1wm6 s ARG 67 Ca -0.00 -0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1wm6 s ARG 67 Cb -0.06 -1.69 0.02 0.00 -1.56 0.00 0.00 34.95 31.67 1wm6 s ARG 67 CO 0.00 0.43 -0.07 1.41 -0.81 0.00 0.00 175.30 176.26 1wm6 s MET 68 N -0.41 1.40 -0.22 5.12 -2.45 -1.26 -0.76 119.30 120.72 1wm6 s MET 68 Ca 0.06 -0.21 -0.04 0.00 -1.25 0.00 0.00 55.69 54.25 1wm6 s MET 68 Cb -0.09 -1.48 -0.01 0.00 1.25 0.00 0.00 34.83 34.50 1wm6 s MET 68 CO -0.00 -0.25 -0.03 -0.51 1.05 0.00 0.00 175.02 175.27 1wm6 s ASP 69 N 1.68 4.38 -0.16 1.11 1.01 0.26 -4.99 116.67 119.97 1wm6 s ASP 69 Ca 0.04 -0.37 -0.18 0.00 0.71 0.00 0.00 52.55 52.75 1wm6 s ASP 69 Cb -0.13 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 1wm6 s ASP 69 CO -0.07 -0.01 0.49 -0.31 0.21 0.00 0.00 175.17 175.47 1wm6 s TYR 70 N 1.44 3.44 -0.11 4.23 2.02 -1.26 -1.51 117.35 125.61 1wm6 s TYR 70 Ca 0.05 0.82 -0.02 0.00 -0.37 0.00 0.00 57.07 57.55 1wm6 s TYR 70 Cb -0.14 -2.60 -0.06 0.00 -0.40 0.00 0.00 41.96 38.76 1wm6 s TYR 70 CO -0.02 0.05 -0.12 1.19 -1.57 0.00 0.00 175.55 175.08 1wm6 n PHE 71 N 4.18 0.00 -4.18 2.71 3.72 -0.25 -5.01 117.46 118.64 1wm6 n PHE 71 Ca -0.06 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.18 1wm6 n PHE 71 Cb 0.51 -0.41 -0.14 0.00 -0.94 0.00 0.00 39.48 38.51 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 -2.21 0.53 0.51 -1.08 0.52 -0.90 -5.05 118.95 111.28 1wm6 s ARG 72 Ca -0.15 -0.40 -0.15 0.00 -0.52 0.00 0.00 55.73 54.51 1wm6 s ARG 72 Cb 0.05 -0.46 -0.07 0.00 0.52 0.00 0.00 34.95 34.98 1wm6 s ARG 72 CO 0.23 0.12 0.96 -1.25 0.02 0.00 0.00 175.30 175.37 1wm6 s PRO 73 N -0.60 3.89 0.04 3.54 0.04 -1.26 -4.83 135.00 135.82 1wm6 s PRO 73 Ca -0.01 0.87 0.07 0.00 0.04 0.00 0.00 61.00 61.97 1wm6 s PRO 73 Cb -0.05 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1wm6 s PRO 73 CO 0.00 -0.27 -0.21 -0.51 0.04 0.00 0.00 177.00 176.05 1wm6 s LEU 74 N -4.15 2.16 0.42 -3.56 1.43 -1.26 -5.02 118.68 108.70 1wm6 s LEU 74 Ca 0.57 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 1wm6 s LEU 74 Cb -0.10 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.12 1wm6 s LEU 74 CO 0.34 0.17 0.56 -0.83 0.23 0.00 0.00 176.35 176.82 1wm6 s GLY 75 N -1.15 1.96 0.35 -3.19 0.00 -1.26 -0.96 107.32 103.06 1wm6 s GLY 75 Ca 0.08 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 42.83 1wm6 s GLY 75 CO 0.02 -1.50 1.46 0.00 0.00 0.00 0.00 173.10 173.07 1wm6 n ALA 76 N -1.84 2.11 0.00 3.20 0.00 -1.26 -2.03 120.51 120.69 1wm6 n ALA 76 Ca 0.08 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1wm6 n ALA 76 Cb 0.59 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 0.86 1.63 3.77 0.00 0.00 0.25 -4.98 105.19 106.71 1wm6 n GLY 77 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1wm6 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm6 s ALA 78 N -2.35 3.42 -0.17 4.61 0.00 -0.86 -4.70 121.76 121.70 1wm6 s ALA 78 Ca 0.00 1.17 -0.13 0.00 0.00 0.00 0.00 51.96 53.00 1wm6 s ALA 78 Cb 0.00 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 1wm6 s ALA 78 CO 0.00 -0.57 0.26 1.03 0.00 0.00 0.00 175.76 176.48 1wm6 s ARG 79 N -1.84 4.24 0.04 0.00 0.52 -1.26 -1.25 118.95 119.41 1wm6 s ARG 79 Ca 0.50 0.02 0.03 0.00 -0.52 0.00 0.00 55.73 55.75 1wm6 s ARG 79 Cb -0.37 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 1wm6 s ARG 79 CO 0.49 0.24 -0.09 0.54 0.02 0.00 0.00 175.30 176.50 1wm6 s VAL 80 N 0.48 0.63 0.07 3.52 0.11 -0.28 -4.27 120.40 120.66 1wm6 s VAL 80 Ca 0.14 -1.06 0.06 0.00 -2.93 0.00 0.00 61.98 58.19 1wm6 s VAL 80 Cb -0.13 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1wm6 s VAL 80 CO 0.03 -0.32 -0.17 -1.61 -3.33 0.00 0.00 175.10 169.70 1wm6 s GLU 81 N -1.51 1.01 -0.23 1.54 2.02 0.80 -1.00 118.70 121.33 1wm6 s GLU 81 Ca -0.08 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 53.98 1wm6 s GLU 81 Cb -0.09 -1.11 0.04 0.00 0.10 0.00 0.00 34.13 33.07 1wm6 s GLU 81 CO 0.01 0.26 -0.14 0.00 0.02 0.00 0.00 175.26 175.41 1wm6 s ALA 82 N -1.06 2.43 -0.34 5.21 0.00 0.11 -0.23 121.76 127.88 1wm6 s ALA 82 Ca 0.03 -1.53 -0.09 0.00 0.00 0.00 0.00 51.96 50.37 1wm6 s ALA 82 Cb -0.09 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.63 1wm6 s ALA 82 CO 0.02 -0.88 0.15 1.03 0.00 0.00 0.00 175.76 176.08 1wm6 s ARG 83 N 1.20 2.87 -0.21 0.00 0.52 0.24 -1.26 118.95 122.30 1wm6 s ARG 83 Ca -0.04 -1.03 -0.11 0.00 -0.52 0.00 0.00 55.73 54.04 1wm6 s ARG 83 Cb -0.17 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 31.68 1wm6 s ARG 83 CO -0.08 -0.61 0.16 0.00 0.02 0.00 0.00 175.30 174.78 1wm6 s ALA 84 N 1.51 3.66 0.03 2.13 0.00 0.94 -1.25 121.76 128.77 1wm6 s ALA 84 Ca 0.01 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1wm6 s ALA 84 Cb -0.19 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 1wm6 s ALA 84 CO 0.05 0.03 -0.14 0.14 0.00 0.00 0.00 175.76 175.84 1wm6 s VAL 85 N 0.61 1.12 -0.12 0.00 -7.23 -0.42 -2.19 120.40 112.17 1wm6 s VAL 85 Ca 0.09 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.01 1wm6 s VAL 85 Cb -0.12 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.80 1wm6 s VAL 85 CO 0.01 0.05 1.04 -0.70 -0.31 0.00 0.00 175.10 175.19 1wm6 s GLU 86 N -1.04 4.39 -0.15 4.82 2.12 -1.08 -0.90 118.70 126.86 1wm6 s GLU 86 Ca 0.02 1.43 0.19 0.00 0.36 0.00 0.00 54.97 56.97 1wm6 s GLU 86 Cb -0.08 -3.56 -0.26 0.00 0.26 0.00 0.00 34.13 30.49 1wm6 s GLU 86 CO 0.01 -0.39 0.20 0.28 -0.54 0.00 0.00 175.26 174.83 1wm6 n VAL 87 N 4.68 1.09 -3.64 3.70 0.31 0.23 -4.92 118.33 119.79 1wm6 n VAL 87 Ca 0.10 -0.78 -0.14 0.00 -0.01 0.00 0.00 64.34 63.51 1wm6 n VAL 87 Cb 0.48 -0.39 -0.07 0.00 -0.91 0.00 0.00 33.84 32.94 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 -5.31 -0.70 -0.07 4.52 2.47 -0.96 -4.97 114.94 109.93 1wm6 s ASN 88 Ca -0.09 1.33 -0.01 0.00 0.42 0.00 0.00 52.86 54.51 1wm6 s ASN 88 Cb 0.08 1.35 0.03 0.00 -1.45 0.00 0.00 41.25 41.26 1wm6 s ASN 88 CO 0.85 -0.24 0.01 -0.22 -3.72 0.00 0.00 177.10 173.77 1wm6 s LEU 89 N 0.32 0.57 0.44 3.21 2.96 -1.26 -0.84 118.68 124.07 1wm6 s LEU 89 Ca -0.00 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1wm6 s LEU 89 Cb -0.05 -0.40 -0.05 0.00 0.50 0.00 0.00 46.19 46.20 1wm6 s LEU 89 CO 0.01 -0.19 0.03 -0.44 -1.32 0.00 0.00 176.35 174.44 1wm6 s SER 90 N 1.94 3.63 0.31 3.68 0.01 0.50 -5.01 113.70 118.76 1wm6 s SER 90 Ca 0.04 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.79 1wm6 s SER 90 Cb -0.12 0.11 0.51 0.00 0.21 0.00 0.00 66.02 66.73 1wm6 s SER 90 CO -0.05 -0.69 1.93 -0.09 0.41 0.00 0.00 173.24 174.76 1wm6 h ARG 91 N 1.66 0.87 0.00 12.44 2.43 -2.01 -3.30 114.38 126.47 1wm6 h ARG 91 Ca -0.42 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1wm6 h ARG 91 Cb 1.27 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1wm6 h ARG 91 CO 0.74 0.66 -0.99 0.54 -1.51 0.00 0.00 179.97 179.40 1wm6 n ARG 92 N -4.37 1.91 -4.12 0.20 5.12 -1.26 -4.83 116.66 109.31 1wm6 n ARG 92 Ca 0.06 -0.05 -0.08 0.00 -1.93 0.00 0.00 57.85 55.85 1wm6 n ARG 92 Cb 0.11 -1.10 -0.10 0.00 -1.16 0.00 0.00 32.46 30.22 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 -2.31 0.24 -0.05 0.55 -4.23 -1.24 0.40 115.64 108.99 1wm6 s THR 93 Ca -0.00 -1.86 -0.12 0.00 -1.18 0.00 0.00 61.69 58.52 1wm6 s THR 93 Cb 0.06 -1.73 0.02 0.00 1.34 0.00 0.00 72.50 72.20 1wm6 s THR 93 CO 0.39 -0.79 0.29 0.00 -0.54 0.00 0.00 174.62 173.96 1wm6 s ALA 94 N -3.93 -0.72 -0.02 3.99 0.00 -1.04 -0.37 121.76 119.66 1wm6 s ALA 94 Ca 0.14 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.63 1wm6 s ALA 94 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1wm6 s ALA 94 CO -0.05 -0.21 -0.18 0.99 0.00 0.00 0.00 175.76 176.31 1wm6 s THR 95 N -0.74 1.40 0.04 0.00 2.01 -0.02 -0.36 115.64 117.98 1wm6 s THR 95 Ca -0.08 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1wm6 s THR 95 Cb -0.04 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 1wm6 s THR 95 CO 0.02 0.40 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.91 1wm6 s TYR 96 N -0.29 1.20 -0.18 4.92 1.51 0.51 -0.60 117.35 124.43 1wm6 s TYR 96 Ca 0.04 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 1wm6 s TYR 96 Cb -0.08 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 41.02 1wm6 s TYR 96 CO 0.00 0.03 0.04 0.50 -1.11 0.00 0.00 175.55 175.01 1wm6 s ARG 97 N -1.17 3.85 -0.18 -0.62 3.52 -0.08 -1.47 118.95 122.81 1wm6 s ARG 97 Ca 0.01 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 1wm6 s ARG 97 Cb -0.08 -3.15 0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1wm6 s ARG 97 CO 0.01 0.20 -0.16 0.08 -0.81 0.00 0.00 175.30 174.63 1wm6 s VAL 98 N 0.54 1.84 -0.14 7.11 1.01 0.55 -1.30 120.40 130.01 1wm6 s VAL 98 Ca 0.01 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 1wm6 s VAL 98 Cb -0.13 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1wm6 s VAL 98 CO 0.02 0.41 0.28 -1.61 0.00 0.00 0.00 175.10 174.20 1wm6 s GLU 99 N 1.36 4.12 -0.34 2.72 2.02 -0.38 -0.84 118.70 127.35 1wm6 s GLU 99 Ca 0.03 0.09 -0.11 0.00 0.02 0.00 0.00 54.97 55.00 1wm6 s GLU 99 Cb -0.14 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.72 1wm6 s GLU 99 CO -0.11 0.35 0.20 0.08 0.02 0.00 0.00 175.26 175.81 1wm6 s VAL 100 N 0.11 4.82 0.01 2.63 1.01 -0.27 -0.59 120.40 128.12 1wm6 s VAL 100 Ca 0.17 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.72 1wm6 s VAL 100 Cb -0.13 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1wm6 s VAL 100 CO 0.05 -0.06 -0.25 -0.69 0.00 0.00 0.00 175.10 174.14 1wm6 s VAL 101 N 1.63 1.98 -0.11 2.92 1.01 0.68 -0.07 120.40 128.44 1wm6 s VAL 101 Ca 0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 1wm6 s VAL 101 Cb -0.18 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.59 1wm6 s VAL 101 CO 0.08 0.46 0.14 -0.55 0.00 0.00 0.00 175.10 175.23 1wm6 s SER 102 N -0.85 1.17 -1.27 3.32 0.15 -0.68 -0.14 113.70 115.41 1wm6 s SER 102 Ca 0.10 0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.77 1wm6 s SER 102 Cb -0.10 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1wm6 s SER 102 CO 0.00 -0.28 0.72 -0.62 1.20 0.00 0.00 173.24 174.27 1wm6 n GLU 103 N 5.31 -4.35 -0.73 5.44 -0.58 -1.26 -1.71 120.64 122.76 1wm6 n GLU 103 Ca -0.05 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.31 1wm6 n GLU 103 Cb 0.50 -5.11 0.00 0.00 -0.57 0.00 0.00 31.44 26.25 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 -1.56 0.46 3.83 0.62 0.00 -1.26 -4.99 105.19 102.29 1wm6 n GLY 104 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.54 3.35 -0.61 1.61 -0.14 -0.69 -5.05 119.74 117.66 1wm6 s LYS 105 Ca 0.00 -0.20 -0.27 0.00 -1.36 0.00 0.00 55.97 54.14 1wm6 s LYS 105 Cb 0.00 -3.10 0.03 0.00 -1.68 0.00 0.00 37.83 33.09 1wm6 s LYS 105 CO 0.00 0.75 1.14 -1.17 -0.76 0.00 0.00 175.35 175.31 1wm6 s LEU 106 N -0.95 3.60 0.06 3.17 2.96 -1.26 -1.68 118.68 124.57 1wm6 s LEU 106 Ca 0.14 -0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.76 1wm6 s LEU 106 Cb -0.12 -2.92 -0.29 0.00 0.50 0.00 0.00 46.19 43.36 1wm6 s LEU 106 CO 0.03 -1.49 1.10 0.58 -1.32 0.00 0.00 176.35 175.25 1wm6 h VAL 107 N 6.09 1.34 -2.87 1.68 2.07 -0.81 -3.41 116.25 120.34 1wm6 h VAL 107 Ca -0.26 -2.65 -0.02 0.00 0.82 0.00 0.00 66.70 64.59 1wm6 h VAL 107 Cb 1.06 2.82 -0.13 0.00 -1.52 0.00 0.00 31.29 33.52 1wm6 h VAL 107 CO 1.18 0.79 0.22 0.00 0.02 0.00 0.00 177.57 179.79 1wm6 s ALA 108 N -2.84 -1.63 -0.09 1.67 0.00 -1.06 -1.09 121.76 116.73 1wm6 s ALA 108 Ca -0.08 0.60 0.03 0.00 0.00 0.00 0.00 51.96 52.51 1wm6 s ALA 108 Cb 0.06 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1wm6 s ALA 108 CO 0.92 -0.73 -0.20 -1.17 0.00 0.00 0.00 175.76 174.58 1wm6 s LEU 109 N -2.59 1.94 -0.03 0.00 2.96 -0.57 -1.11 118.68 119.28 1wm6 s LEU 109 Ca 0.00 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1wm6 s LEU 109 Cb -0.01 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 1wm6 s LEU 109 CO -0.11 0.11 -0.23 0.12 -1.32 0.00 0.00 176.35 174.92 1wm6 s PHE 110 N 0.46 2.15 -0.06 5.38 2.19 -0.02 -0.57 117.98 127.52 1wm6 s PHE 110 Ca -0.17 -0.47 0.03 0.00 0.33 0.00 0.00 56.93 56.65 1wm6 s PHE 110 Cb -0.17 -1.39 0.01 0.00 -1.31 0.00 0.00 43.02 40.15 1wm6 s PHE 110 CO 0.07 -0.08 -0.13 0.99 1.83 0.00 0.00 175.22 177.90 1wm6 s THR 111 N -0.44 1.18 -0.02 0.12 2.01 0.06 -0.33 115.64 118.22 1wm6 s THR 111 Ca 0.06 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 1wm6 s THR 111 Cb -0.10 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1wm6 s THR 111 CO 0.00 0.36 0.12 -0.83 -0.69 0.00 0.00 174.62 173.58 1wm6 s GLY 112 N 0.47 -0.01 -0.01 4.40 0.00 -0.54 0.25 107.32 111.89 1wm6 s GLY 112 Ca -0.11 0.07 0.06 0.00 0.00 0.00 0.00 44.72 44.74 1wm6 s GLY 112 CO 0.03 -0.02 -0.20 -1.59 0.00 0.00 0.00 173.10 171.32 1wm6 s THR 113 N -0.71 1.57 0.32 0.90 2.01 -0.32 -0.36 115.64 119.05 1wm6 s THR 113 Ca -0.08 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.14 1wm6 s THR 113 Cb -0.05 -1.31 -0.06 0.00 0.01 0.00 0.00 72.50 71.09 1wm6 s THR 113 CO 0.01 0.43 -0.08 0.68 -0.69 0.00 0.00 174.62 174.97 1wm6 s VAL 114 N -0.48 2.03 -0.20 3.82 -7.23 0.52 -1.00 120.40 117.85 1wm6 s VAL 114 Ca 0.08 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 1wm6 s VAL 114 Cb -0.08 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.26 1wm6 s VAL 114 CO -0.01 -0.23 -0.03 0.12 -0.31 0.00 0.00 175.10 174.64 1wm6 s PHE 115 N -2.75 2.98 -0.35 2.82 2.19 0.28 -2.50 117.98 120.63 1wm6 s PHE 115 Ca 0.32 -0.71 -0.25 0.00 0.33 0.00 0.00 56.93 56.61 1wm6 s PHE 115 Cb 0.03 -2.08 0.01 0.00 -1.31 0.00 0.00 43.02 39.68 1wm6 s PHE 115 CO 0.15 -0.39 0.90 1.03 1.83 0.00 0.00 175.22 178.74 1wm6 s ARG 116 N 1.19 3.87 0.00 10.12 0.52 0.16 -0.97 118.95 133.84 1wm6 s ARG 116 Ca 0.03 0.59 0.14 0.00 -0.52 0.00 0.00 55.73 55.97 1wm6 s ARG 116 Cb -0.14 -3.79 0.85 0.00 0.52 0.00 0.00 34.95 32.39 1wm6 s ARG 116 CO -0.00 -0.89 1.27 1.28 0.02 0.00 0.00 175.30 176.98