#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm6 h PRO 4 N 0.00 0.30 -0.04 -0.67 0.11 -2.03 -1.20 132.00 128.48 1wm6 h PRO 4 Ca 0.00 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.93 1wm6 h PRO 4 Cb 0.00 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1wm6 h PRO 4 CO 0.00 0.20 -0.68 0.35 -0.21 0.00 0.00 178.00 177.65 1wm6 h PHE 5 N 0.31 0.24 -0.51 0.65 3.57 -2.03 -2.04 116.94 117.13 1wm6 h PHE 5 Ca 0.42 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.73 1wm6 h PHE 5 Cb 0.71 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1wm6 h PHE 5 CO -0.24 0.80 -0.05 0.52 -2.23 0.00 0.00 178.31 177.12 1wm6 h MET 6 N 0.12 0.93 -0.17 1.11 2.86 -1.71 -2.63 114.93 115.44 1wm6 h MET 6 Ca -0.02 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1wm6 h MET 6 Cb 1.22 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1wm6 h MET 6 CO 0.10 0.98 0.05 1.49 1.06 0.00 0.00 176.91 180.58 1wm6 h GLU 7 N 0.79 0.28 0.00 1.72 4.81 -1.18 0.52 114.58 121.52 1wm6 h GLU 7 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1wm6 h GLU 7 Cb 0.59 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1wm6 h GLU 7 CO 0.04 0.41 0.06 0.00 -0.73 0.00 0.00 179.01 178.79 1wm6 h ALA 8 N 0.86 1.05 -0.01 2.92 0.00 -1.23 0.99 119.26 123.83 1wm6 h ALA 8 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wm6 h ALA 8 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1wm6 h ALA 8 CO -0.00 -0.05 -0.29 1.28 0.00 0.00 0.00 179.25 180.19 1wm6 n LEU 9 N -2.52 1.10 -1.96 0.00 4.77 -0.91 -5.02 117.00 112.45 1wm6 n LEU 9 Ca -0.02 -0.70 -0.09 0.00 -0.03 0.00 0.00 56.01 55.16 1wm6 n LEU 9 Cb 0.11 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1wm6 n LEU 9 CO 0.12 0.22 0.08 0.61 -1.33 0.00 0.00 177.39 177.10 1wm6 n GLY 10 N 1.01 0.20 3.72 -0.72 0.00 0.34 -4.84 105.19 104.89 1wm6 n GLY 10 Ca 0.04 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.86 3.95 0.18 0.99 1.43 -0.23 -4.53 118.68 116.61 1wm6 s LEU 11 Ca 0.14 0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.54 1wm6 s LEU 11 Cb -0.06 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1wm6 s LEU 11 CO 0.32 0.28 -0.11 -0.54 0.23 0.00 0.00 176.35 176.53 1wm6 s LYS 12 N -0.24 2.01 -0.50 1.70 -0.14 -0.57 -4.63 119.74 117.36 1wm6 s LYS 12 Ca 0.09 -1.29 -0.18 0.00 -1.36 0.00 0.00 55.97 53.22 1wm6 s LYS 12 Cb -0.12 -2.13 0.06 0.00 -1.68 0.00 0.00 37.83 33.96 1wm6 s LYS 12 CO 0.01 0.43 0.58 0.08 -0.76 0.00 0.00 175.35 175.69 1wm6 s VAL 13 N -1.70 4.95 0.06 3.17 1.01 -1.26 -0.87 120.40 125.76 1wm6 s VAL 13 Ca 0.24 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1wm6 s VAL 13 Cb -0.09 -4.26 -0.26 0.00 0.00 0.00 0.00 36.38 31.78 1wm6 s VAL 13 CO 0.15 -0.75 1.09 -0.07 0.00 0.00 0.00 175.10 175.52 1wm6 h LEU 14 N 9.51 0.29 -7.75 3.92 3.38 -1.58 -3.48 115.31 119.60 1wm6 h LEU 14 Ca -0.28 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.21 1wm6 h LEU 14 Cb 1.10 -0.09 -0.21 0.00 0.09 0.00 0.00 40.66 41.55 1wm6 h LEU 14 CO 0.94 1.27 -0.49 -2.28 0.09 0.00 0.00 178.44 177.97 1wm6 s HIS 15 N -2.66 0.05 -0.25 1.13 5.04 -1.11 -4.97 115.29 112.52 1wm6 s HIS 15 Ca -0.04 -0.14 -0.09 0.00 -1.54 0.00 0.00 55.06 53.25 1wm6 s HIS 15 Cb 0.08 -0.05 0.11 0.00 0.04 0.00 0.00 32.58 32.76 1wm6 s HIS 15 CO 0.86 -0.29 0.54 -1.17 -2.34 0.00 0.00 174.74 172.34 1wm6 s LEU 16 N -1.40 -0.89 0.27 8.88 2.96 -1.26 -1.44 118.68 125.80 1wm6 s LEU 16 Ca -0.15 1.29 -0.02 0.00 -0.22 0.00 0.00 54.13 55.03 1wm6 s LEU 16 Cb -0.08 1.85 -0.02 0.00 0.50 0.00 0.00 46.19 48.44 1wm6 s LEU 16 CO 0.02 -0.23 0.31 0.00 -1.32 0.00 0.00 176.35 175.13 1wm6 s ALA 17 N 2.69 0.90 -0.11 5.97 0.00 -0.53 -5.02 121.76 125.65 1wm6 s ALA 17 Ca -0.04 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.08 1wm6 s ALA 17 Cb -0.12 1.28 -0.06 0.00 0.00 0.00 0.00 23.12 24.22 1wm6 s ALA 17 CO -0.16 -0.71 2.05 -2.14 0.00 0.00 0.00 175.76 174.80 1wm6 s PRO 18 N -3.73 3.62 -0.16 0.00 0.02 -1.26 -2.20 135.00 131.29 1wm6 s PRO 18 Ca 0.34 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1wm6 s PRO 18 Cb 0.03 -4.25 0.00 0.00 0.02 0.00 0.00 34.50 30.30 1wm6 s PRO 18 CO 0.16 -1.54 0.00 0.41 -0.33 0.00 0.00 177.00 175.70 1wm6 n GLY 19 N 5.13 0.51 3.52 0.52 0.00 -1.26 -5.01 105.19 108.61 1wm6 n GLY 19 Ca 0.24 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.71 0.97 0.10 1.61 -1.05 -0.93 -2.33 118.70 115.36 1wm6 s GLU 20 Ca 0.00 0.13 -0.24 0.00 -0.15 0.00 0.00 54.97 54.71 1wm6 s GLU 20 Cb 0.00 0.46 0.07 0.00 -0.44 0.00 0.00 34.13 34.21 1wm6 s GLU 20 CO 0.00 -0.32 0.59 0.00 0.95 0.00 0.00 175.26 176.48 1wm6 s ALA 21 N -1.54 -1.55 -0.05 -0.84 0.00 -0.90 -1.46 121.76 115.42 1wm6 s ALA 21 Ca -0.07 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1wm6 s ALA 21 Cb -0.00 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1wm6 s ALA 21 CO 0.05 -0.64 -0.08 0.08 0.00 0.00 0.00 175.76 175.16 1wm6 s VAL 22 N -3.03 0.82 -0.08 0.00 1.01 -0.52 -0.13 120.40 118.46 1wm6 s VAL 22 Ca -0.02 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1wm6 s VAL 22 Cb -0.01 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1wm6 s VAL 22 CO -0.07 0.28 -0.16 -0.69 0.00 0.00 0.00 175.10 174.46 1wm6 s VAL 23 N 0.64 1.47 0.35 2.92 1.01 -0.15 -1.35 120.40 125.30 1wm6 s VAL 23 Ca -0.11 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1wm6 s VAL 23 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1wm6 s VAL 23 CO 0.02 0.43 0.17 0.00 0.00 0.00 0.00 175.10 175.72 1wm6 s ALA 24 N 0.66 3.57 0.03 5.51 0.00 -0.05 -0.08 121.76 131.39 1wm6 s ALA 24 Ca -0.14 -1.86 -0.16 0.00 0.00 0.00 0.00 51.96 49.80 1wm6 s ALA 24 Cb -0.16 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.28 1wm6 s ALA 24 CO 0.04 -0.01 0.74 0.41 0.00 0.00 0.00 175.76 176.94 1wm6 n GLY 25 N -1.20 0.53 2.97 0.00 0.00 0.05 -1.51 105.19 106.03 1wm6 n GLY 25 Ca -0.02 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1wm6 n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wm6 s GLU 26 N -2.02 0.12 -0.43 1.61 2.12 -1.26 -1.21 118.70 117.63 1wm6 s GLU 26 Ca 0.17 0.24 -0.28 0.00 0.36 0.00 0.00 54.97 55.46 1wm6 s GLU 26 Cb -0.01 -0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.35 1wm6 s GLU 26 CO 0.01 -0.07 1.71 0.08 -0.54 0.00 0.00 175.26 176.45 1wm6 s VAL 27 N 0.45 3.55 0.74 3.70 1.01 -0.14 -4.92 120.40 124.80 1wm6 s VAL 27 Ca -0.03 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 1wm6 s VAL 27 Cb -0.05 -3.89 0.14 0.00 0.00 0.00 0.00 36.38 32.58 1wm6 s VAL 27 CO -0.02 -0.66 1.02 -0.13 0.00 0.00 0.00 175.10 175.31 1wm6 s ARG 28 N 5.84 1.56 0.27 2.72 0.52 -1.26 0.54 118.95 129.15 1wm6 s ARG 28 Ca 0.71 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 54.71 1wm6 s ARG 28 Cb -0.17 -2.32 0.37 0.00 0.52 0.00 0.00 34.95 33.35 1wm6 s ARG 28 CO 0.30 -1.54 1.85 0.00 0.02 0.00 0.00 175.30 175.93 1wm6 h ALA 29 N -0.59 1.23 0.00 2.13 0.00 -1.99 -2.35 119.26 117.69 1wm6 h ALA 29 Ca -0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1wm6 h ALA 29 Cb 1.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1wm6 h ALA 29 CO 0.38 0.56 0.00 -0.40 0.00 0.00 0.00 179.25 179.79 1wm6 n ASP 30 N -4.30 0.00 -0.10 0.00 5.75 -1.26 -2.89 116.55 113.75 1wm6 n ASP 30 Ca 0.06 -0.72 0.10 0.00 -0.01 0.00 0.00 54.79 54.22 1wm6 n ASP 30 Cb 0.18 -0.05 -0.05 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 -1.05 0.00 -2.05 2.11 8.25 -0.88 -4.98 115.22 116.62 1wm6 n HIS 31 Ca 0.19 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.36 1wm6 n HIS 31 Cb 0.11 -0.03 0.05 0.00 1.12 0.00 0.00 29.99 31.25 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 -2.89 2.93 0.55 2.41 1.43 -1.14 -0.73 118.68 121.24 1wm6 s LEU 32 Ca 0.11 0.91 0.04 0.00 -1.03 0.00 0.00 54.13 54.16 1wm6 s LEU 32 Cb 0.17 -3.67 0.03 0.00 0.03 0.00 0.00 46.19 42.75 1wm6 s LEU 32 CO 0.79 -1.36 0.31 0.54 0.23 0.00 0.00 176.35 176.86 1wm6 s ASN 33 N -4.39 4.49 0.42 2.29 2.20 -0.17 -4.63 114.94 115.16 1wm6 s ASN 33 Ca 0.58 -1.39 0.23 0.00 -0.94 0.00 0.00 52.86 51.33 1wm6 s ASN 33 Cb -0.11 0.56 1.23 0.00 -2.00 0.00 0.00 41.25 40.93 1wm6 s ASN 33 CO 0.49 -1.10 1.73 -0.07 -2.94 0.00 0.00 177.10 175.21 1wm6 h LEU 34 N 0.85 0.36 -0.80 3.54 3.38 -1.99 0.13 115.31 120.78 1wm6 h LEU 34 Ca -0.38 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1wm6 h LEU 34 Cb 1.31 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1wm6 h LEU 34 CO 0.61 -0.01 0.00 1.41 0.09 0.00 0.00 178.44 180.54 1wm6 n HIS 35 N -4.63 0.16 -0.68 1.13 8.25 -1.26 -4.94 115.22 113.26 1wm6 n HIS 35 Ca 0.29 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1wm6 n HIS 35 Cb 1.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.18 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 1.02 0.77 3.74 -1.41 0.00 0.45 -5.06 105.19 104.70 1wm6 n GLY 36 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.80 3.00 0.18 2.61 -4.23 -1.26 -4.47 115.64 108.67 1wm6 s THR 37 Ca 0.00 -1.67 -0.33 0.00 -1.18 0.00 0.00 61.69 58.50 1wm6 s THR 37 Cb 0.00 -2.99 -0.14 0.00 1.34 0.00 0.00 72.50 70.72 1wm6 s THR 37 CO 0.00 -0.17 1.55 0.00 -0.54 0.00 0.00 174.62 175.46 1wm6 n ALA 38 N -1.17 1.37 -1.85 3.99 0.00 0.14 -1.00 120.51 121.99 1wm6 n ALA 38 Ca -0.03 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.44 1wm6 n ALA 38 Cb 0.61 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 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 0.70 3.18 0.43 0.00 2.46 0.09 -4.77 115.29 117.37 1wm6 s HIS 39 Ca 0.76 1.35 0.20 0.00 0.47 0.00 0.00 55.06 57.84 1wm6 s HIS 39 Cb -0.67 -3.62 1.15 0.00 -0.13 0.00 0.00 32.58 29.32 1wm6 s HIS 39 CO 0.40 -1.78 1.84 0.78 -2.47 0.00 0.00 174.74 173.51 1wm6 h GLY 40 N 4.22 0.80 1.61 1.59 0.00 -1.90 0.29 103.07 109.68 1wm6 h GLY 40 Ca -0.47 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 1wm6 h GLY 40 CO 0.71 -0.03 -0.12 -1.33 0.00 0.00 0.00 176.54 175.77 1wm6 h GLY 41 N 0.34 0.52 0.61 4.60 0.00 -1.95 -1.44 103.07 105.73 1wm6 h GLY 41 Ca 0.49 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1wm6 h GLY 41 CO -0.17 0.32 -0.09 -2.75 0.00 0.00 0.00 176.54 173.85 1wm6 h PHE 42 N 0.44 -0.22 -0.65 5.60 3.57 -0.75 0.40 116.94 125.33 1wm6 h PHE 42 Ca 0.08 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.64 1wm6 h PHE 42 Cb 0.47 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.23 1wm6 h PHE 42 CO 0.01 0.14 0.36 -0.07 -2.23 0.00 0.00 178.31 176.52 1wm6 h LEU 43 N -0.64 0.53 -0.42 0.59 3.38 -1.41 -0.44 115.31 116.90 1wm6 h LEU 43 Ca -0.02 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1wm6 h LEU 43 Cb 0.47 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1wm6 h LEU 43 CO 0.04 0.34 0.17 0.22 0.09 0.00 0.00 178.44 179.30 1wm6 h TYR 44 N 0.66 0.64 -0.85 1.13 5.03 -1.24 -1.49 116.97 120.84 1wm6 h TYR 44 Ca 0.29 -0.05 0.07 0.00 2.58 0.00 0.00 58.73 61.62 1wm6 h TYR 44 Cb 0.18 -0.19 -0.06 0.00 1.55 0.00 0.00 36.73 38.21 1wm6 h TYR 44 CO -0.08 0.56 0.52 0.00 -1.32 0.00 0.00 178.16 177.83 1wm6 h ALA 45 N 1.01 1.18 0.25 1.82 0.00 -0.18 0.48 119.26 123.82 1wm6 h ALA 45 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1wm6 h ALA 45 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wm6 h ALA 45 CO -0.01 0.22 -0.12 1.25 0.00 0.00 0.00 179.25 180.59 1wm6 h LEU 46 N 0.92 -0.28 -0.42 0.00 5.85 -0.72 -1.43 115.31 119.23 1wm6 h LEU 46 Ca 0.38 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 1wm6 h LEU 46 Cb 0.23 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1wm6 h LEU 46 CO -0.19 -0.19 0.22 0.00 -0.34 0.00 0.00 178.44 177.94 1wm6 h ALA 47 N 0.41 0.54 -0.75 1.25 0.00 -0.60 -2.64 119.26 117.47 1wm6 h ALA 47 Ca -0.03 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1wm6 h ALA 47 Cb 0.27 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1wm6 h ALA 47 CO 0.06 0.08 0.49 0.22 0.00 0.00 0.00 179.25 180.09 1wm6 h ASP 48 N 0.54 0.67 -0.22 0.00 3.58 0.04 -0.78 116.42 120.25 1wm6 h ASP 48 Ca 0.15 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 1wm6 h ASP 48 Cb 0.08 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 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 0.76 0.35 -0.42 2.28 0.02 -0.90 0.19 113.55 115.84 1wm6 h SER 49 Ca 0.33 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1wm6 h SER 49 Cb 0.30 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1wm6 h SER 49 CO -0.11 0.53 0.07 0.00 -1.14 0.00 0.00 176.83 176.19 1wm6 h ALA 50 N 0.83 1.21 0.03 3.77 0.00 -1.29 -0.02 119.26 123.80 1wm6 h ALA 50 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wm6 h ALA 50 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wm6 h ALA 50 CO 0.01 0.53 -0.02 0.35 0.00 0.00 0.00 179.25 180.12 1wm6 h PHE 51 N 0.73 -0.04 -0.64 0.00 3.57 -0.86 -0.27 116.94 119.43 1wm6 h PHE 51 Ca 0.16 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1wm6 h PHE 51 Cb 0.34 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1wm6 h PHE 51 CO 0.02 0.04 0.30 0.00 -2.23 0.00 0.00 178.31 176.44 1wm6 h ALA 52 N 0.85 0.83 -0.24 2.41 0.00 -0.24 -1.46 119.26 121.40 1wm6 h ALA 52 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1wm6 h ALA 52 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wm6 h ALA 52 CO 0.01 0.41 0.10 -0.07 0.00 0.00 0.00 179.25 179.69 1wm6 h LEU 53 N 0.89 0.33 0.18 0.00 3.38 -0.87 -1.63 115.31 117.60 1wm6 h LEU 53 Ca 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1wm6 h LEU 53 Cb 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1wm6 h LEU 53 CO -0.03 0.41 -0.08 0.00 0.09 0.00 0.00 178.44 178.83 1wm6 h ALA 54 N 0.94 -0.24 -0.63 1.53 0.00 -0.89 -3.16 119.26 116.82 1wm6 h ALA 54 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1wm6 h ALA 54 Cb 0.18 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1wm6 h ALA 54 CO -0.01 -0.60 0.18 0.66 0.00 0.00 0.00 179.25 179.48 1wm6 h SER 55 N -0.30 0.93 0.07 0.00 4.64 -1.28 -2.68 113.55 114.93 1wm6 h SER 55 Ca -0.02 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1wm6 h SER 55 Cb 0.23 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1wm6 h SER 55 CO 0.04 0.91 0.00 0.59 -0.87 0.00 0.00 176.83 177.50 1wm6 n ASN 56 N -4.35 0.00 0.02 4.97 3.02 -0.61 -1.34 115.26 116.96 1wm6 n ASN 56 Ca 0.04 -0.09 0.13 0.00 -0.03 0.00 0.00 54.58 54.63 1wm6 n ASN 56 Cb 0.23 -0.12 0.52 0.00 -0.61 0.00 0.00 39.78 39.79 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 -1.12 0.09 0.72 3.41 -2.24 -1.01 -3.01 114.28 111.11 1wm6 n THR 57 Ca 0.06 -0.05 0.10 0.00 -2.27 0.00 0.00 64.05 61.90 1wm6 n THR 57 Cb 0.05 -0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.62 0.19 0.00 -0.78 5.12 -0.45 -4.78 116.66 114.34 1wm6 n ARG 58 Ca 0.06 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1wm6 n ARG 58 Cb 0.35 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 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 1.43 2.92 3.66 -0.13 0.00 -1.16 -5.07 105.19 106.82 1wm6 n GLY 59 Ca 0.02 -1.80 -0.47 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.88 2.00 -3.74 1.61 -0.04 -1.26 -4.32 135.00 127.37 1wm6 n PRO 60 Ca 0.00 0.72 -0.14 0.00 -0.04 0.00 0.00 63.50 64.04 1wm6 n PRO 60 Cb 0.00 -2.47 -0.09 0.00 -0.04 0.00 0.00 33.50 30.91 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 0.83 -0.87 -0.02 0.55 0.00 -1.26 -1.45 121.76 119.53 1wm6 s ALA 61 Ca 0.79 0.45 0.06 0.00 0.00 0.00 0.00 51.96 53.27 1wm6 s ALA 61 Cb -0.72 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 1wm6 s ALA 61 CO 0.39 -0.26 -0.21 0.54 0.00 0.00 0.00 175.76 176.22 1wm6 s VAL 62 N -1.22 1.64 0.35 0.00 0.11 -0.52 -4.93 120.40 115.83 1wm6 s VAL 62 Ca -0.13 -0.88 -0.28 0.00 -2.93 0.00 0.00 61.98 57.76 1wm6 s VAL 62 Cb -0.05 -1.37 -0.11 0.00 -1.53 0.00 0.00 36.38 33.33 1wm6 s VAL 62 CO 0.04 0.47 1.39 0.00 -3.33 0.00 0.00 175.10 173.67 1wm6 s ALA 63 N -0.40 3.54 -0.01 1.54 0.00 -1.26 -0.45 121.76 124.71 1wm6 s ALA 63 Ca 0.06 1.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 1wm6 s ALA 63 Cb -0.09 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 1wm6 s ALA 63 CO -0.00 -0.83 -0.04 1.28 0.00 0.00 0.00 175.76 176.17 1wm6 n LEU 64 N 0.70 0.38 -4.01 0.00 4.77 -0.15 -4.83 117.00 113.85 1wm6 n LEU 64 Ca 0.01 0.06 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 1wm6 n LEU 64 Cb 0.41 -0.32 -0.16 0.00 -2.33 0.00 0.00 43.42 41.02 1wm6 n LEU 64 CO 0.61 -0.50 -0.45 -0.55 -1.33 0.00 0.00 177.39 175.17 1wm6 s SER 65 N -4.86 1.37 0.01 -1.43 0.15 -1.17 -5.01 113.70 102.76 1wm6 s SER 65 Ca -0.04 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.43 1wm6 s SER 65 Cb 0.00 -0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 63.87 1wm6 s SER 65 CO 0.05 0.06 -0.09 0.00 1.20 0.00 0.00 173.24 174.47 1wm6 s ARG 67 N -0.59 2.12 -0.13 0.00 3.52 0.12 -4.97 118.95 119.02 1wm6 s ARG 67 Ca 0.00 -0.76 0.01 0.00 -0.13 0.00 0.00 55.73 54.85 1wm6 s ARG 67 Cb -0.05 -1.84 0.02 0.00 -1.56 0.00 0.00 34.95 31.52 1wm6 s ARG 67 CO 0.00 0.33 -0.14 1.41 -0.81 0.00 0.00 175.30 176.09 1wm6 s MET 68 N -0.11 2.18 -0.25 5.12 -2.45 -1.26 -0.89 119.30 121.64 1wm6 s MET 68 Ca -0.02 -0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 53.85 1wm6 s MET 68 Cb -0.12 -1.98 0.01 0.00 1.25 0.00 0.00 34.83 33.99 1wm6 s MET 68 CO 0.03 -0.19 -0.02 -0.51 1.05 0.00 0.00 175.02 175.38 1wm6 s ASP 69 N 1.37 4.53 -0.17 1.11 1.01 0.44 -4.98 116.67 119.97 1wm6 s ASP 69 Ca 0.02 -0.66 -0.22 0.00 0.71 0.00 0.00 52.55 52.39 1wm6 s ASP 69 Cb -0.13 -1.75 -0.02 0.00 1.01 0.00 0.00 42.92 42.02 1wm6 s ASP 69 CO -0.08 -0.11 0.70 -0.31 0.21 0.00 0.00 175.17 175.58 1wm6 s TYR 70 N 1.42 3.42 -0.10 4.23 2.02 -1.26 -1.11 117.35 125.97 1wm6 s TYR 70 Ca 0.03 1.08 -0.06 0.00 -0.37 0.00 0.00 57.07 57.74 1wm6 s TYR 70 Cb -0.16 -2.86 -0.05 0.00 -0.40 0.00 0.00 41.96 38.50 1wm6 s TYR 70 CO -0.02 -0.14 -0.15 1.19 -1.57 0.00 0.00 175.55 174.85 1wm6 n PHE 71 N 4.87 0.00 -4.78 2.71 3.72 0.03 -5.00 117.46 119.01 1wm6 n PHE 71 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 1wm6 n PHE 71 Cb 0.50 -0.39 -0.16 0.00 -0.94 0.00 0.00 39.48 38.49 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 -2.24 1.69 0.41 -1.08 0.52 -0.50 -5.04 118.95 112.71 1wm6 s ARG 72 Ca -0.16 -0.57 -0.22 0.00 -0.52 0.00 0.00 55.73 54.26 1wm6 s ARG 72 Cb 0.06 -1.47 -0.10 0.00 0.52 0.00 0.00 34.95 33.95 1wm6 s ARG 72 CO 0.20 0.22 0.97 -1.25 0.02 0.00 0.00 175.30 175.46 1wm6 s PRO 73 N 0.08 4.27 0.11 3.54 0.04 -1.26 -4.81 135.00 136.97 1wm6 s PRO 73 Ca -0.04 1.23 0.09 0.00 0.04 0.00 0.00 61.00 62.32 1wm6 s PRO 73 Cb -0.11 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1wm6 s PRO 73 CO 0.02 -0.01 -0.19 -0.51 0.04 0.00 0.00 177.00 176.35 1wm6 s LEU 74 N -2.88 2.63 0.41 -3.56 1.43 -1.26 -5.00 118.68 110.45 1wm6 s LEU 74 Ca 0.59 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1wm6 s LEU 74 Cb -0.13 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 1wm6 s LEU 74 CO 0.18 0.19 0.20 -0.83 0.23 0.00 0.00 176.35 176.31 1wm6 s GLY 75 N -2.07 2.32 0.27 -3.19 0.00 -1.26 0.23 107.32 103.62 1wm6 s GLY 75 Ca 0.17 -2.09 -0.30 0.00 0.00 0.00 0.00 44.72 42.50 1wm6 s GLY 75 CO 0.09 -1.89 1.39 0.00 0.00 0.00 0.00 173.10 172.69 1wm6 n ALA 76 N -1.27 1.27 0.00 3.20 0.00 -1.26 -1.81 120.51 120.63 1wm6 n ALA 76 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1wm6 n ALA 76 Cb 0.64 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 1.79 3.42 3.71 0.00 0.00 0.19 -4.99 105.19 109.31 1wm6 n GLY 77 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.73 3.82 -0.46 4.61 0.00 -0.75 -4.69 121.76 121.57 1wm6 s ALA 78 Ca 0.00 1.45 -0.20 0.00 0.00 0.00 0.00 51.96 53.21 1wm6 s ALA 78 Cb 0.00 -3.69 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1wm6 s ALA 78 CO 0.00 -0.97 0.63 1.03 0.00 0.00 0.00 175.76 176.45 1wm6 s ARG 79 N 1.69 3.22 0.11 0.00 0.52 -1.26 -0.96 118.95 122.27 1wm6 s ARG 79 Ca 0.75 -0.53 0.05 0.00 -0.52 0.00 0.00 55.73 55.48 1wm6 s ARG 79 Cb -0.46 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 30.98 1wm6 s ARG 79 CO 0.33 -1.07 0.04 0.54 0.02 0.00 0.00 175.30 175.16 1wm6 s VAL 80 N 2.76 4.18 0.02 3.52 0.11 -0.35 -4.19 120.40 126.45 1wm6 s VAL 80 Ca 0.20 -1.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.27 1wm6 s VAL 80 Cb -0.15 -3.04 -0.02 0.00 -1.53 0.00 0.00 36.38 31.64 1wm6 s VAL 80 CO 0.17 0.05 -0.10 -0.70 -3.33 0.00 0.00 175.10 171.18 1wm6 s GLU 81 N -2.56 0.74 -0.19 1.54 2.12 0.11 -0.77 118.70 119.69 1wm6 s GLU 81 Ca 0.28 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 55.06 1wm6 s GLU 81 Cb -0.11 -0.69 0.04 0.00 0.26 0.00 0.00 34.13 33.63 1wm6 s GLU 81 CO 0.20 0.17 -0.10 0.00 -0.54 0.00 0.00 175.26 174.99 1wm6 s ALA 82 N -0.67 1.93 -0.22 6.30 0.00 0.89 0.60 121.76 130.59 1wm6 s ALA 82 Ca 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 1wm6 s ALA 82 Cb -0.06 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 1wm6 s ALA 82 CO 0.00 -0.76 0.01 1.03 0.00 0.00 0.00 175.76 176.05 1wm6 s ARG 83 N 1.43 3.58 -0.18 0.00 0.52 -0.09 -0.98 118.95 123.23 1wm6 s ARG 83 Ca -0.00 -0.53 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 1wm6 s ARG 83 Cb -0.16 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 1wm6 s ARG 83 CO -0.08 -0.09 0.00 0.00 0.02 0.00 0.00 175.30 175.15 1wm6 s ALA 84 N 1.29 3.10 0.05 2.13 0.00 0.82 -1.02 121.76 128.13 1wm6 s ALA 84 Ca 0.04 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.17 1wm6 s ALA 84 Cb -0.15 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1wm6 s ALA 84 CO 0.01 0.02 -0.19 0.14 0.00 0.00 0.00 175.76 175.74 1wm6 s VAL 85 N 0.69 1.51 -0.16 0.00 -7.23 -0.10 -2.12 120.40 113.00 1wm6 s VAL 85 Ca 0.00 -1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 1wm6 s VAL 85 Cb -0.14 -1.33 -0.00 0.00 0.56 0.00 0.00 36.38 35.46 1wm6 s VAL 85 CO 0.02 0.12 1.07 -0.70 -0.31 0.00 0.00 175.10 175.30 1wm6 s GLU 86 N -1.25 4.32 -0.14 4.82 2.12 -0.98 -1.14 118.70 126.45 1wm6 s GLU 86 Ca 0.06 1.44 0.12 0.00 0.36 0.00 0.00 54.97 56.94 1wm6 s GLU 86 Cb -0.09 -3.61 -0.24 0.00 0.26 0.00 0.00 34.13 30.46 1wm6 s GLU 86 CO 0.02 -0.51 0.29 0.28 -0.54 0.00 0.00 175.26 174.79 1wm6 n VAL 87 N 4.98 1.52 -3.64 3.70 0.31 0.60 -4.93 118.33 120.87 1wm6 n VAL 87 Ca 0.11 -0.78 -0.10 0.00 -0.01 0.00 0.00 64.34 63.56 1wm6 n VAL 87 Cb 0.47 -0.91 -0.07 0.00 -0.91 0.00 0.00 33.84 32.42 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 -5.98 -0.83 -0.15 4.52 2.47 -0.94 -4.97 114.94 109.06 1wm6 s ASN 88 Ca -0.12 1.43 0.01 0.00 0.42 0.00 0.00 52.86 54.59 1wm6 s ASN 88 Cb 0.07 1.36 0.02 0.00 -1.45 0.00 0.00 41.25 41.25 1wm6 s ASN 88 CO 0.80 -0.24 -0.17 -0.22 -3.72 0.00 0.00 177.10 173.55 1wm6 s LEU 89 N 1.10 1.88 0.37 3.21 2.96 -1.26 -0.69 118.68 126.24 1wm6 s LEU 89 Ca -0.06 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1wm6 s LEU 89 Cb -0.05 -1.30 -0.07 0.00 0.50 0.00 0.00 46.19 45.27 1wm6 s LEU 89 CO -0.11 -0.02 0.03 -0.44 -1.32 0.00 0.00 176.35 174.49 1wm6 s SER 90 N 1.30 3.27 0.24 3.68 0.01 0.12 -5.00 113.70 117.31 1wm6 s SER 90 Ca 0.02 -1.37 -0.05 0.00 1.31 0.00 0.00 55.95 55.87 1wm6 s SER 90 Cb -0.13 -0.27 0.40 0.00 0.21 0.00 0.00 66.02 66.23 1wm6 s SER 90 CO -0.10 -0.50 1.75 -0.09 0.41 0.00 0.00 173.24 174.71 1wm6 h ARG 91 N 1.92 0.51 -0.00 12.44 2.43 -2.00 -3.25 114.38 126.42 1wm6 h ARG 91 Ca -0.43 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1wm6 h ARG 91 Cb 1.24 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1wm6 h ARG 91 CO 0.76 0.34 -0.00 0.54 -1.51 0.00 0.00 179.97 180.10 1wm6 n ARG 92 N -4.93 0.97 -4.00 0.20 5.12 -1.26 -4.84 116.66 107.92 1wm6 n ARG 92 Ca 0.13 -0.38 -0.08 0.00 -1.93 0.00 0.00 57.85 55.59 1wm6 n ARG 92 Cb 0.35 -0.88 -0.09 0.00 -1.16 0.00 0.00 32.46 30.68 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 -0.25 0.18 -0.06 0.55 -4.23 -1.23 -0.01 115.64 110.59 1wm6 s THR 93 Ca 0.00 -1.52 -0.16 0.00 -1.18 0.00 0.00 61.69 58.83 1wm6 s THR 93 Cb 0.00 -1.38 0.03 0.00 1.34 0.00 0.00 72.50 72.49 1wm6 s THR 93 CO 0.00 -0.84 0.37 0.00 -0.54 0.00 0.00 174.62 173.62 1wm6 s ALA 94 N -3.74 -0.94 -0.04 3.99 0.00 -0.99 0.15 121.76 120.19 1wm6 s ALA 94 Ca 0.05 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1wm6 s ALA 94 Cb 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1wm6 s ALA 94 CO -0.10 -0.24 -0.16 0.99 0.00 0.00 0.00 175.76 176.25 1wm6 s THR 95 N -0.77 1.34 0.07 0.00 2.01 0.13 -0.25 115.64 118.17 1wm6 s THR 95 Ca -0.09 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.30 1wm6 s THR 95 Cb -0.04 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1wm6 s THR 95 CO 0.03 0.39 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.88 1wm6 s TYR 96 N -0.03 1.39 -0.13 4.92 1.51 0.48 -0.29 117.35 125.20 1wm6 s TYR 96 Ca -0.02 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.60 1wm6 s TYR 96 Cb -0.10 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1wm6 s TYR 96 CO 0.01 0.09 -0.02 0.50 -1.11 0.00 0.00 175.55 175.02 1wm6 s ARG 97 N -1.57 3.39 -0.18 -0.62 3.52 -0.29 -1.36 118.95 121.84 1wm6 s ARG 97 Ca 0.01 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.14 1wm6 s ARG 97 Cb -0.09 -2.86 0.04 0.00 -1.56 0.00 0.00 34.95 30.47 1wm6 s ARG 97 CO 0.02 0.43 -0.09 0.08 -0.81 0.00 0.00 175.30 174.94 1wm6 s VAL 98 N -0.14 1.43 -0.20 7.11 1.01 0.13 -0.92 120.40 128.82 1wm6 s VAL 98 Ca 0.03 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1wm6 s VAL 98 Cb -0.13 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1wm6 s VAL 98 CO 0.02 0.17 0.43 -1.61 0.00 0.00 0.00 175.10 174.12 1wm6 s GLU 99 N 1.49 4.17 -0.45 2.72 2.02 -0.18 -0.82 118.70 127.65 1wm6 s GLU 99 Ca -0.00 0.25 -0.17 0.00 0.02 0.00 0.00 54.97 55.07 1wm6 s GLU 99 Cb -0.16 -3.55 0.04 0.00 0.10 0.00 0.00 34.13 30.57 1wm6 s GLU 99 CO -0.08 -0.07 0.45 0.08 0.02 0.00 0.00 175.26 175.66 1wm6 s VAL 100 N 1.41 5.09 -0.08 2.63 1.01 -0.43 -0.92 120.40 129.12 1wm6 s VAL 100 Ca 0.20 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1wm6 s VAL 100 Cb -0.15 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 1wm6 s VAL 100 CO 0.08 -0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 173.81 1wm6 s VAL 101 N 2.08 2.87 -0.25 2.92 1.01 0.20 0.34 120.40 129.56 1wm6 s VAL 101 Ca 0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1wm6 s VAL 101 Cb -0.19 -2.14 0.08 0.00 0.00 0.00 0.00 36.38 34.12 1wm6 s VAL 101 CO 0.11 0.56 0.04 -0.55 0.00 0.00 0.00 175.10 175.26 1wm6 s SER 102 N -0.20 3.62 -1.08 3.32 0.15 -0.52 0.08 113.70 119.08 1wm6 s SER 102 Ca -0.00 -1.26 -0.11 0.00 0.70 0.00 0.00 55.95 55.28 1wm6 s SER 102 Cb -0.13 -0.87 -0.05 0.00 -1.71 0.00 0.00 66.02 63.25 1wm6 s SER 102 CO 0.03 -0.33 0.88 -0.62 1.20 0.00 0.00 173.24 174.40 1wm6 n GLU 103 N 4.85 -1.94 -0.79 5.44 1.02 -1.26 -2.58 120.64 125.39 1wm6 n GLU 103 Ca -0.07 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1wm6 n GLU 103 Cb 0.44 -5.26 0.00 0.00 -0.02 0.00 0.00 31.44 26.61 1wm6 n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wm6 n GLY 104 N -1.38 0.32 3.51 0.62 0.00 -1.26 -4.98 105.19 102.02 1wm6 n GLY 104 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.81 3.20 -0.57 1.61 -0.14 -1.06 -5.06 119.74 116.90 1wm6 s LYS 105 Ca 0.00 -0.56 -0.28 0.00 -1.36 0.00 0.00 55.97 53.76 1wm6 s LYS 105 Cb 0.00 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.46 1wm6 s LYS 105 CO 0.00 0.43 1.25 -1.17 -0.76 0.00 0.00 175.35 175.10 1wm6 s LEU 106 N -0.18 3.44 0.06 3.17 2.96 -1.26 -1.43 118.68 125.44 1wm6 s LEU 106 Ca 0.02 0.18 -0.11 0.00 -0.22 0.00 0.00 54.13 54.00 1wm6 s LEU 106 Cb -0.13 -3.16 -0.30 0.00 0.50 0.00 0.00 46.19 43.10 1wm6 s LEU 106 CO 0.03 -1.53 1.09 0.58 -1.32 0.00 0.00 176.35 175.20 1wm6 h VAL 107 N 6.22 1.36 -2.27 1.68 2.07 -0.43 -3.40 116.25 121.48 1wm6 h VAL 107 Ca -0.25 -2.75 0.01 0.00 0.82 0.00 0.00 66.70 64.53 1wm6 h VAL 107 Cb 1.07 2.89 -0.17 0.00 -1.52 0.00 0.00 31.29 33.56 1wm6 h VAL 107 CO 1.18 0.82 0.32 0.00 0.02 0.00 0.00 177.57 179.91 1wm6 s ALA 108 N -2.75 -1.76 -0.10 1.67 0.00 -1.14 -0.79 121.76 116.88 1wm6 s ALA 108 Ca -0.07 1.06 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1wm6 s ALA 108 Cb 0.06 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1wm6 s ALA 108 CO 0.92 -0.54 -0.16 -1.17 0.00 0.00 0.00 175.76 174.80 1wm6 s LEU 109 N -1.90 2.55 -0.07 0.00 2.96 -0.27 -1.31 118.68 120.65 1wm6 s LEU 109 Ca -0.03 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1wm6 s LEU 109 Cb -0.01 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.14 1wm6 s LEU 109 CO -0.02 0.21 -0.19 0.12 -1.32 0.00 0.00 176.35 175.15 1wm6 s PHE 110 N 0.08 1.99 -0.10 5.38 2.19 -0.00 -0.42 117.98 127.09 1wm6 s PHE 110 Ca -0.07 -0.71 0.02 0.00 0.33 0.00 0.00 56.93 56.50 1wm6 s PHE 110 Cb -0.15 -1.35 0.02 0.00 -1.31 0.00 0.00 43.02 40.22 1wm6 s PHE 110 CO 0.05 -0.28 -0.14 0.99 1.83 0.00 0.00 175.22 177.67 1wm6 s THR 111 N 0.29 1.41 0.03 0.12 2.01 -0.07 0.20 115.64 119.63 1wm6 s THR 111 Ca -0.12 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1wm6 s THR 111 Cb -0.15 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1wm6 s THR 111 CO 0.05 0.42 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.50 1wm6 s GLY 112 N 1.02 0.43 -0.04 4.40 0.00 -0.46 0.12 107.32 112.79 1wm6 s GLY 112 Ca -0.06 -0.57 0.06 0.00 0.00 0.00 0.00 44.72 44.14 1wm6 s GLY 112 CO -0.02 -0.59 -0.21 -1.59 0.00 0.00 0.00 173.10 170.69 1wm6 s THR 113 N -0.91 1.72 0.32 0.90 2.01 -0.34 -0.39 115.64 118.95 1wm6 s THR 113 Ca -0.05 -0.90 0.10 0.00 0.31 0.00 0.00 61.69 61.15 1wm6 s THR 113 Cb -0.07 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 1wm6 s THR 113 CO 0.00 0.49 -0.06 0.68 -0.69 0.00 0.00 174.62 175.04 1wm6 s VAL 114 N -0.19 2.59 -0.21 3.82 -7.23 0.66 -0.98 120.40 118.87 1wm6 s VAL 114 Ca -0.00 -2.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 1wm6 s VAL 114 Cb -0.11 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1wm6 s VAL 114 CO 0.02 -0.26 -0.00 0.12 -0.31 0.00 0.00 175.10 174.67 1wm6 s PHE 115 N -2.52 3.02 -0.39 2.82 5.99 0.40 -2.35 117.98 124.95 1wm6 s PHE 115 Ca 0.33 -0.56 -0.25 0.00 0.00 0.00 0.00 56.93 56.45 1wm6 s PHE 115 Cb -0.01 -2.10 0.02 0.00 0.00 0.00 0.00 43.02 40.92 1wm6 s PHE 115 CO 0.18 -0.32 0.87 1.03 -0.00 0.00 0.00 175.22 176.98 1wm6 s ARG 116 N 1.16 3.72 0.00 10.12 0.52 0.99 -1.43 118.95 134.02 1wm6 s ARG 116 Ca 0.03 0.36 0.13 0.00 -0.52 0.00 0.00 55.73 55.73 1wm6 s ARG 116 Cb -0.14 -3.84 0.79 0.00 0.52 0.00 0.00 34.95 32.28 1wm6 s ARG 116 CO 0.01 -0.99 1.22 1.28 0.02 0.00 0.00 175.30 176.84