#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg6 n SER 2 N 0.00 -2.75 0.00 1.61 2.88 -1.26 -5.17 113.62 108.93 1wg6 n SER 2 Ca 0.00 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1wg6 n SER 2 Cb 0.00 2.64 0.00 0.00 -0.75 0.00 0.00 64.21 66.10 1wg6 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wg6 n SER 3 N -3.41 0.00 -3.59 -3.46 7.64 -1.26 -5.17 113.62 104.37 1wg6 n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wg6 n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wg6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wg6 n GLY 4 N -0.03 -3.33 3.64 0.23 0.00 -1.26 -5.08 105.19 99.36 1wg6 n GLY 4 Ca 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 1wg6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wg6 s SER 5 N -2.02 -0.17 0.53 1.61 0.15 -1.26 -5.15 113.70 107.39 1wg6 s SER 5 Ca 0.00 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.46 1wg6 s SER 5 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1wg6 s SER 5 CO 0.00 -0.56 0.00 -0.24 1.20 0.00 0.00 173.24 173.64 1wg6 n SER 6 N -0.38 -8.22 0.00 5.45 2.88 -1.26 -5.09 113.62 107.00 1wg6 n SER 6 Ca -0.06 1.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 1wg6 n SER 6 Cb 0.61 -4.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 1wg6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg6 n GLY 7 N -1.65 3.18 3.56 0.46 0.00 -1.26 -5.17 105.19 104.31 1wg6 n GLY 7 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 1wg6 n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wg6 s LEU 8 N 0.00 -0.42 0.51 0.99 0.05 -1.26 -5.18 118.68 113.37 1wg6 s LEU 8 Ca 0.00 0.64 0.05 0.00 0.05 0.00 0.00 54.13 54.87 1wg6 s LEU 8 Cb 0.00 1.57 0.01 0.00 -2.05 0.00 0.00 46.19 45.72 1wg6 s LEU 8 CO 0.00 -0.10 0.28 -0.54 -0.55 0.00 0.00 176.35 175.44 1wg6 s LYS 9 N 1.60 2.25 0.00 1.48 3.01 -1.26 -5.16 119.74 121.66 1wg6 s LYS 9 Ca -0.07 -2.07 0.00 0.00 -1.01 0.00 0.00 55.97 52.82 1wg6 s LYS 9 Cb -0.04 -1.96 0.00 0.00 -1.01 0.00 0.00 37.83 34.83 1wg6 s LYS 9 CO -0.15 -0.48 0.00 0.41 0.51 0.00 0.00 175.35 175.65 1wg6 n GLY 10 N -1.57 7.13 3.16 -3.33 0.00 -1.26 -5.17 105.19 104.15 1wg6 n GLY 10 Ca -0.06 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 1wg6 n GLY 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wg6 s GLU 11 N 1.17 0.79 -0.07 1.61 -1.05 -1.26 -5.08 118.70 114.81 1wg6 s GLU 11 Ca 0.00 -1.10 -0.19 0.00 -0.15 0.00 0.00 54.97 53.53 1wg6 s GLU 11 Cb 0.00 -0.48 -0.15 0.00 -0.44 0.00 0.00 34.13 33.06 1wg6 s GLU 11 CO 0.00 0.07 0.72 -1.00 0.95 0.00 0.00 175.26 176.00 1wg6 h PRO 12 N 3.70 -0.15 -3.07 -4.83 0.13 -2.10 -3.50 132.00 122.19 1wg6 h PRO 12 Ca -0.37 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1wg6 h PRO 12 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wg6 h PRO 12 CO 0.51 0.30 -0.79 -3.47 -0.23 0.00 0.00 178.00 174.32 1wg6 n ASP 13 N -4.86 -7.00 -4.24 1.44 2.03 -1.26 -5.04 116.55 97.63 1wg6 n ASP 13 Ca -0.07 1.48 -0.13 0.00 0.52 0.00 0.00 54.79 56.59 1wg6 n ASP 13 Cb 0.26 -3.97 -0.10 0.00 -0.72 0.00 0.00 41.12 36.58 1wg6 n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wg6 n TYR 15 N -0.24 -0.40 -2.05 0.00 4.19 -1.26 -5.12 117.16 112.29 1wg6 n TYR 15 Ca -0.06 -2.18 -0.41 0.00 3.31 0.00 0.00 57.90 58.56 1wg6 n TYR 15 Cb 0.63 0.56 -0.02 0.00 0.49 0.00 0.00 39.34 41.01 1wg6 n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1wg6 s ALA 16 N -1.79 3.54 0.28 2.98 0.00 -1.26 -5.01 121.76 120.49 1wg6 s ALA 16 Ca 0.22 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.51 1wg6 s ALA 16 Cb 0.41 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1wg6 s ALA 16 CO -0.05 -0.72 0.28 -0.48 0.00 0.00 0.00 175.76 174.79 1wg6 s LEU 17 N -1.53 1.29 -0.10 0.00 0.05 -1.26 -5.16 118.68 111.98 1wg6 s LEU 17 Ca 0.52 -1.52 0.01 0.00 0.05 0.00 0.00 54.13 53.19 1wg6 s LEU 17 Cb -0.41 0.77 0.02 0.00 -2.05 0.00 0.00 46.19 44.52 1wg6 s LEU 17 CO 0.52 -1.04 -0.13 -0.44 -0.55 0.00 0.00 176.35 174.72 1wg6 s SER 18 N -3.25 2.16 0.91 1.48 0.01 -1.26 -5.12 113.70 108.63 1wg6 s SER 18 Ca 0.37 -0.36 -0.14 0.00 1.31 0.00 0.00 55.95 57.13 1wg6 s SER 18 Cb 0.03 -0.95 0.01 0.00 0.21 0.00 0.00 66.02 65.33 1wg6 s SER 18 CO 0.20 -0.01 0.35 0.00 0.41 0.00 0.00 173.24 174.19 1wg6 n LEU 19 N 4.24 -0.38 -4.88 2.44 -0.00 -1.26 -4.97 117.00 112.19 1wg6 n LEU 19 Ca -0.19 0.37 -0.29 0.00 -0.00 0.00 0.00 56.01 55.90 1wg6 n LEU 19 Cb 0.51 -1.18 0.12 0.00 -0.00 0.00 0.00 43.42 42.87 1wg6 n LEU 19 CO 0.23 -3.69 0.79 -1.61 -0.00 0.00 0.00 177.39 173.11 1wg6 s GLU 20 N -3.37 1.42 0.21 1.47 2.02 -1.26 -5.09 118.70 114.09 1wg6 s GLU 20 Ca 0.57 0.02 -0.23 0.00 0.02 0.00 0.00 54.97 55.36 1wg6 s GLU 20 Cb -0.23 -1.90 0.06 0.00 0.10 0.00 0.00 34.13 32.16 1wg6 s GLU 20 CO 0.67 -1.96 0.91 -1.54 0.02 0.00 0.00 175.26 173.36 1wg6 s SER 21 N -4.53 -0.13 1.05 -0.19 1.04 -1.26 -5.16 113.70 104.51 1wg6 s SER 21 Ca 0.65 -0.59 -0.17 0.00 0.48 0.00 0.00 55.95 56.33 1wg6 s SER 21 Cb -0.10 0.58 0.11 0.00 0.10 0.00 0.00 66.02 66.71 1wg6 s SER 21 CO 0.51 -1.10 -0.00 -1.20 0.98 0.00 0.00 173.24 172.43 1wg6 n SER 22 N -0.73 -2.75 -4.07 7.02 7.64 -1.26 -4.91 113.62 114.56 1wg6 n SER 22 Ca -0.05 -0.25 -0.31 0.00 1.01 0.00 0.00 58.87 59.26 1wg6 n SER 22 Cb 0.60 -0.81 -0.16 0.00 -1.01 0.00 0.00 64.21 62.83 1wg6 n SER 22 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wg6 s GLU 23 N -3.30 2.64 -0.01 1.43 0.41 -0.60 -5.00 118.70 114.28 1wg6 s GLU 23 Ca 0.44 -0.70 0.04 0.00 -0.41 0.00 0.00 54.97 54.35 1wg6 s GLU 23 Cb -0.06 -2.32 -0.03 0.00 -1.78 0.00 0.00 34.13 29.93 1wg6 s GLU 23 CO 0.50 -0.21 -0.13 -1.14 -0.49 0.00 0.00 175.26 173.79 1wg6 s GLN 24 N 1.34 2.40 -0.05 1.61 0.74 -1.26 -0.38 119.66 124.06 1wg6 s GLN 24 Ca 0.04 -0.78 0.01 0.00 0.05 0.00 0.00 55.36 54.68 1wg6 s GLN 24 Cb -0.13 -2.36 0.02 0.00 1.10 0.00 0.00 33.01 31.64 1wg6 s GLN 24 CO -0.11 0.59 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.65 1wg6 s LEU 25 N -1.13 1.45 -0.32 3.68 1.43 -0.84 -4.99 118.68 117.97 1wg6 s LEU 25 Ca 0.14 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1wg6 s LEU 25 Cb -0.11 -0.57 0.06 0.00 0.03 0.00 0.00 46.19 45.60 1wg6 s LEU 25 CO 0.04 -0.02 0.04 -0.89 0.23 0.00 0.00 176.35 175.74 1wg6 s THR 26 N 0.81 3.07 -0.16 5.49 2.01 -1.26 -2.18 115.64 123.43 1wg6 s THR 26 Ca -0.13 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 60.39 1wg6 s THR 26 Cb -0.15 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 1wg6 s THR 26 CO 0.01 -0.21 -0.15 -0.76 -0.69 0.00 0.00 174.62 172.83 1wg6 s LEU 27 N 1.24 2.52 0.19 4.42 2.01 -1.15 -4.99 118.68 122.92 1wg6 s LEU 27 Ca -0.03 -0.45 -0.13 0.00 0.01 0.00 0.00 54.13 53.53 1wg6 s LEU 27 Cb -0.20 -1.58 -0.07 0.00 0.01 0.00 0.00 46.19 44.35 1wg6 s LEU 27 CO -0.01 0.09 0.57 -1.61 1.01 0.00 0.00 176.35 176.40 1wg6 s GLU 28 N 0.80 3.94 -0.11 1.70 2.02 -1.26 -2.32 118.70 123.46 1wg6 s GLU 28 Ca -0.05 0.45 -0.03 0.00 0.02 0.00 0.00 54.97 55.36 1wg6 s GLU 28 Cb -0.15 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.33 1wg6 s GLU 28 CO 0.00 0.39 0.07 0.42 0.02 0.00 0.00 175.26 176.16 1wg6 s ILE 29 N -1.63 -0.02 0.12 -1.63 1.01 -0.11 -4.88 121.20 114.07 1wg6 s ILE 29 Ca 0.43 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 1wg6 s ILE 29 Cb -0.13 -0.44 -0.07 0.00 0.01 0.00 0.00 42.46 41.83 1wg6 s ILE 29 CO 0.20 -0.06 1.14 -2.16 0.00 0.00 0.00 174.94 174.06 1wg6 s PRO 30 N 2.12 4.52 -0.65 2.79 0.04 -1.26 -0.62 135.00 141.94 1wg6 s PRO 30 Ca 0.03 1.73 0.02 0.00 0.04 0.00 0.00 61.00 62.83 1wg6 s PRO 30 Cb -0.14 -3.31 0.38 0.00 0.04 0.00 0.00 34.50 31.46 1wg6 s PRO 30 CO -0.06 -0.08 1.44 1.28 0.04 0.00 0.00 177.00 179.61 1wg6 n LEU 31 N 3.11 5.81 0.00 -3.56 4.77 0.52 -4.66 117.00 123.00 1wg6 n LEU 31 Ca 0.06 -5.20 -0.01 0.00 -0.03 0.00 0.00 56.01 50.82 1wg6 n LEU 31 Cb 0.46 -0.73 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1wg6 n LEU 31 CO 0.55 2.10 0.05 0.78 -1.33 0.00 0.00 177.39 179.53 1wg6 h ASN 32 N 2.94 -0.07 0.27 -1.43 2.35 -1.93 -2.77 115.58 114.94 1wg6 h ASN 32 Ca 0.38 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.80 1wg6 h ASN 32 Cb 0.52 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 1wg6 h ASN 32 CO 1.06 0.26 -2.00 0.47 -1.65 0.00 0.00 177.43 175.56 1wg6 n ASP 33 N -3.95 0.77 0.04 5.81 9.92 -1.26 -4.20 116.55 123.68 1wg6 n ASP 33 Ca -0.01 0.23 -0.16 0.00 -0.53 0.00 0.00 54.79 54.32 1wg6 n ASP 33 Cb 0.03 0.19 -0.06 0.00 -0.64 0.00 0.00 41.12 40.64 1wg6 n ASP 33 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1wg6 h SER 34 N 0.01 0.71 -1.02 -2.24 4.64 -1.83 -3.19 113.55 110.63 1wg6 h SER 34 Ca -0.40 -0.54 0.25 0.00 -0.47 0.00 0.00 61.79 60.62 1wg6 h SER 34 Cb 2.09 -0.22 -0.10 0.00 -0.31 0.00 0.00 62.40 63.86 1wg6 h SER 34 CO 0.05 1.34 0.64 1.23 -0.87 0.00 0.00 176.83 179.23 1wg6 h GLY 35 N 0.87 1.43 -0.21 -0.77 0.00 -1.66 1.39 103.07 104.13 1wg6 h GLY 35 Ca -0.09 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.01 1wg6 h GLY 35 CO 0.17 -0.15 -0.12 1.44 0.00 0.00 0.00 176.54 177.88 1wg6 n SER 36 N -4.70 -0.22 0.02 0.19 7.64 -1.20 -2.25 113.62 113.10 1wg6 n SER 36 Ca 0.25 1.10 -0.14 0.00 1.01 0.00 0.00 58.87 61.10 1wg6 n SER 36 Cb 0.81 -0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 63.46 1wg6 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg6 h ALA 37 N -0.63 0.49 0.00 -0.43 0.00 -1.64 -3.51 119.26 113.54 1wg6 h ALA 37 Ca 0.03 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.68 1wg6 h ALA 37 Cb 0.08 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wg6 h ALA 37 CO -0.19 1.35 0.00 0.41 0.00 0.00 0.00 179.25 180.81 1wg6 n GLY 38 N 1.65 1.89 0.00 0.00 0.00 0.47 -4.95 105.19 104.25 1wg6 n GLY 38 Ca -0.17 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1wg6 n GLY 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wg6 n LEU 39 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.24 117.00 117.26 1wg6 n LEU 39 Ca 0.00 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1wg6 n LEU 39 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1wg6 n LEU 39 CO 0.00 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.21 1wg6 n GLY 40 N -1.00 0.79 3.04 -0.72 0.00 -1.26 -4.28 105.19 101.76 1wg6 n GLY 40 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1wg6 n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wg6 s VAL 41 N -0.97 0.45 -0.24 1.61 -7.23 -1.26 -4.19 120.40 108.57 1wg6 s VAL 41 Ca 0.00 -0.97 -0.09 0.00 -1.81 0.00 0.00 61.98 59.11 1wg6 s VAL 41 Cb 0.00 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 1wg6 s VAL 41 CO 0.00 -0.36 0.12 -0.94 -0.31 0.00 0.00 175.10 173.61 1wg6 s SER 42 N -1.42 5.66 0.55 4.85 1.04 -1.21 -5.04 113.70 118.11 1wg6 s SER 42 Ca -0.10 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.34 1wg6 s SER 42 Cb -0.09 -2.02 0.04 0.00 0.10 0.00 0.00 66.02 64.05 1wg6 s SER 42 CO 0.00 0.02 0.34 -0.76 0.98 0.00 0.00 173.24 173.83 1wg6 s LEU 43 N 1.28 2.58 -0.15 2.42 1.43 -1.26 -0.97 118.68 124.00 1wg6 s LEU 43 Ca 0.06 -1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 51.69 1wg6 s LEU 43 Cb -0.14 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.06 1wg6 s LEU 43 CO 0.05 -1.10 0.39 -1.59 0.23 0.00 0.00 176.35 174.33 1wg6 s LYS 44 N -4.23 0.43 -0.09 1.70 -2.85 0.67 -4.63 119.74 110.74 1wg6 s LYS 44 Ca 0.28 0.63 -0.04 0.00 -1.00 0.00 0.00 55.97 55.84 1wg6 s LYS 44 Cb -0.02 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 1wg6 s LYS 44 CO 0.17 -0.09 0.07 0.20 0.10 0.00 0.00 175.35 175.80 1wg6 s GLY 45 N 0.65 2.00 -0.02 0.59 0.00 -1.26 -1.04 107.32 108.25 1wg6 s GLY 45 Ca -0.04 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.97 1wg6 s GLY 45 CO -0.04 -0.51 -0.11 0.21 0.00 0.00 0.00 173.10 172.64 1wg6 s ASN 46 N -1.06 1.40 0.08 1.64 3.84 -1.26 -4.99 114.94 114.59 1wg6 s ASN 46 Ca 0.15 -0.22 0.04 0.00 0.21 0.00 0.00 52.86 53.04 1wg6 s ASN 46 Cb -0.12 -0.26 -0.03 0.00 -0.55 0.00 0.00 41.25 40.29 1wg6 s ASN 46 CO 0.05 0.12 -0.11 -0.75 -2.79 0.00 0.00 177.10 173.61 1wg6 s LYS 47 N -0.07 0.79 -0.10 0.43 2.20 -1.26 -2.53 119.74 119.20 1wg6 s LYS 47 Ca 0.01 -1.03 0.01 0.00 -0.36 0.00 0.00 55.97 54.60 1wg6 s LYS 47 Cb -0.07 -0.61 -0.02 0.00 -1.51 0.00 0.00 37.83 35.62 1wg6 s LYS 47 CO 0.00 0.11 -0.12 -1.12 -0.36 0.00 0.00 175.35 173.86 1wg6 s SER 48 N -2.07 4.13 -0.19 1.43 0.01 0.11 -4.79 113.70 112.34 1wg6 s SER 48 Ca 0.01 -0.24 -0.18 0.00 1.31 0.00 0.00 55.95 56.85 1wg6 s SER 48 Cb -0.07 -1.32 -0.21 0.00 0.21 0.00 0.00 66.02 64.64 1wg6 s SER 48 CO 0.01 0.25 0.24 0.54 0.41 0.00 0.00 173.24 174.69 1wg6 n ARG 49 N 2.98 0.62 -0.03 12.44 1.74 -1.26 -2.07 116.66 131.07 1wg6 n ARG 49 Ca -0.18 0.49 -0.02 0.00 -0.77 0.00 0.00 57.85 57.37 1wg6 n ARG 49 Cb 0.53 -1.73 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 1wg6 n ARG 49 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1wg6 h GLU 50 N -0.72 -0.04 -0.61 5.56 4.39 -1.95 -1.98 114.58 119.22 1wg6 h GLU 50 Ca -0.38 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.30 1wg6 h GLU 50 Cb 1.50 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.13 1wg6 h GLU 50 CO -0.14 -0.03 0.27 1.79 -1.16 0.00 0.00 179.01 179.74 1wg6 h THR 51 N -0.04 1.22 -0.22 1.13 1.35 -2.02 -3.47 112.91 110.86 1wg6 h THR 51 Ca 0.01 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1wg6 h THR 51 Cb 0.08 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1wg6 h THR 51 CO -0.09 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1wg6 n GLY 52 N -0.89 1.12 3.25 5.82 0.00 -0.75 -5.10 105.19 108.63 1wg6 n GLY 52 Ca 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1wg6 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wg6 s THR 53 N -2.22 0.04 -0.44 2.61 2.01 -0.88 -5.01 115.64 111.75 1wg6 s THR 53 Ca 0.00 -1.81 -0.19 0.00 0.31 0.00 0.00 61.69 59.99 1wg6 s THR 53 Cb 0.00 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 70.32 1wg6 s THR 53 CO 0.00 -0.20 0.57 1.51 -0.69 0.00 0.00 174.62 175.81 1wg6 s ASP 54 N -3.08 6.27 0.33 3.53 -4.77 -1.26 0.10 116.67 117.78 1wg6 s ASP 54 Ca 0.29 -0.53 0.09 0.00 -3.30 0.00 0.00 52.55 49.10 1wg6 s ASP 54 Cb 0.06 -2.28 0.98 0.00 -1.09 0.00 0.00 42.92 40.59 1wg6 s ASP 54 CO 0.06 -0.72 1.58 -0.07 0.70 0.00 0.00 175.17 176.72 1wg6 h LEU 55 N 9.47 -0.17 0.00 2.11 3.38 -1.80 -3.46 115.31 124.84 1wg6 h LEU 55 Ca -0.26 0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wg6 h LEU 55 Cb 1.10 0.40 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1wg6 h LEU 55 CO 0.87 -0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.62 1wg6 n GLY 56 N -1.41 3.99 3.64 0.83 0.00 -1.19 -5.07 105.19 105.98 1wg6 n GLY 56 Ca 0.29 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 1wg6 n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wg6 n ILE 57 N -1.45 3.58 -3.72 -0.61 2.08 -1.26 -4.08 119.36 113.90 1wg6 n ILE 57 Ca 0.00 -0.50 -0.14 0.00 0.56 0.00 0.00 62.75 62.67 1wg6 n ILE 57 Cb 0.00 -1.23 -0.15 0.00 -0.75 0.00 0.00 39.64 37.51 1wg6 n ILE 57 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1wg6 s PHE 58 N -1.45 -0.20 0.55 1.39 0.08 -0.20 -3.37 117.98 114.78 1wg6 s PHE 58 Ca 0.74 0.58 -0.21 0.00 0.12 0.00 0.00 56.93 58.16 1wg6 s PHE 58 Cb -0.43 -0.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 1wg6 s PHE 58 CO 0.49 -0.22 1.33 0.42 -0.10 0.00 0.00 175.22 177.14 1wg6 s ILE 59 N 1.59 2.18 -0.20 0.64 1.01 -1.16 -0.24 121.20 125.02 1wg6 s ILE 59 Ca -0.05 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 1wg6 s ILE 59 Cb -0.12 -3.06 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 1wg6 s ILE 59 CO -0.06 -0.01 -0.19 1.17 0.00 0.00 0.00 174.94 175.85 1wg6 n LYS 60 N -1.12 0.53 -3.60 2.79 4.81 -0.15 0.18 118.16 121.61 1wg6 n LYS 60 Ca 0.11 0.38 -0.04 0.00 -0.87 0.00 0.00 58.31 57.89 1wg6 n LYS 60 Cb 0.46 -1.58 -0.02 0.00 0.02 0.00 0.00 35.03 33.91 1wg6 n LYS 60 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1wg6 s SER 61 N -6.40 -0.13 -0.12 3.14 1.04 -0.90 -4.61 113.70 105.71 1wg6 s SER 61 Ca -0.27 0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.09 1wg6 s SER 61 Cb 0.06 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1wg6 s SER 61 CO 0.42 -0.23 0.14 -0.63 0.98 0.00 0.00 173.24 173.92 1wg6 s ILE 62 N -2.37 5.50 -0.40 -1.02 1.09 -1.26 -3.34 121.20 119.39 1wg6 s ILE 62 Ca 0.09 0.21 -0.19 0.00 -1.10 0.00 0.00 60.65 59.66 1wg6 s ILE 62 Cb -0.01 -3.40 0.01 0.00 -1.06 0.00 0.00 42.46 38.00 1wg6 s ILE 62 CO -0.05 0.61 0.56 -0.63 -0.10 0.00 0.00 174.94 175.33 1wg6 s ILE 63 N -0.94 4.95 1.02 2.92 1.09 -1.26 -4.96 121.20 124.01 1wg6 s ILE 63 Ca 0.15 0.12 -0.17 0.00 -1.10 0.00 0.00 60.65 59.65 1wg6 s ILE 63 Cb -0.12 -4.08 0.26 0.00 -1.06 0.00 0.00 42.46 37.46 1wg6 s ILE 63 CO 0.04 -0.42 0.74 1.41 -0.10 0.00 0.00 174.94 176.61 1wg6 n HIS 64 N 5.94 -3.53 -2.40 3.97 8.25 -1.26 -3.36 115.22 122.82 1wg6 n HIS 64 Ca -0.04 -0.69 -0.07 0.00 -0.26 0.00 0.00 57.72 56.67 1wg6 n HIS 64 Cb 0.48 -0.90 -0.00 0.00 1.12 0.00 0.00 29.99 30.69 1wg6 n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wg6 n GLY 65 N -3.66 -0.44 0.00 -1.41 0.00 -1.26 -4.82 105.19 93.60 1wg6 n GLY 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1wg6 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wg6 n GLY 66 N -0.63 5.42 0.04 -0.02 0.00 -1.23 -5.06 105.19 103.70 1wg6 n GLY 66 Ca -0.08 -1.27 -0.02 0.00 0.00 0.00 0.00 46.02 44.65 1wg6 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg6 h ALA 67 N 1.00 0.00 -1.41 4.61 0.00 -1.80 -3.36 119.26 118.30 1wg6 h ALA 67 Ca 0.00 -0.33 0.42 0.00 0.00 0.00 0.00 54.91 55.00 1wg6 h ALA 67 Cb 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1wg6 h ALA 67 CO 0.00 0.26 0.99 0.00 0.00 0.00 0.00 179.25 180.49 1wg6 h ALA 68 N -1.36 3.15 -0.99 0.00 0.00 -1.81 0.38 119.26 118.62 1wg6 h ALA 68 Ca 0.00 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.26 1wg6 h ALA 68 Cb 0.26 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.00 1wg6 h ALA 68 CO 0.00 -1.61 0.51 0.35 0.00 0.00 0.00 179.25 178.50 1wg6 h PHE 69 N 0.07 0.81 -0.78 0.00 3.57 -1.70 1.86 116.94 120.76 1wg6 h PHE 69 Ca 0.72 0.04 0.05 0.00 3.53 0.00 0.00 57.97 62.32 1wg6 h PHE 69 Cb 2.65 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 41.15 1wg6 h PHE 69 CO -0.00 -0.32 0.47 0.87 -2.23 0.00 0.00 178.31 177.10 1wg6 h LYS 70 N 0.16 0.85 0.00 1.11 1.57 -0.45 0.26 116.57 120.07 1wg6 h LYS 70 Ca 0.77 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 1wg6 h LYS 70 Cb 1.87 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.99 1wg6 h LYS 70 CO -0.70 0.56 -0.50 -3.47 -0.57 0.00 0.00 179.45 174.77 1wg6 n ASP 71 N -4.67 0.55 -0.56 0.86 -0.08 0.50 -4.12 116.55 109.03 1wg6 n ASP 71 Ca 0.10 0.01 0.43 0.00 -1.51 0.00 0.00 54.79 53.83 1wg6 n ASP 71 Cb 0.16 0.12 0.67 0.00 2.34 0.00 0.00 41.12 44.40 1wg6 n ASP 71 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wg6 n GLY 72 N 1.42 -0.81 0.66 0.27 0.00 0.51 0.45 105.19 107.69 1wg6 n GLY 72 Ca 0.05 0.59 0.48 0.00 0.00 0.00 0.00 46.02 47.14 1wg6 n GLY 72 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wg6 n ARG 73 N -3.71 0.00 -0.53 1.61 -4.01 -1.26 -4.33 116.66 104.43 1wg6 n ARG 73 Ca 0.37 1.03 -0.27 0.00 -1.04 0.00 0.00 57.85 57.93 1wg6 n ARG 73 Cb 1.63 -2.39 0.25 0.00 -3.04 0.00 0.00 32.46 28.90 1wg6 n ARG 73 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1wg6 n LEU 74 N -3.75 0.00 -3.89 2.89 4.77 0.17 -5.05 117.00 112.14 1wg6 n LEU 74 Ca 0.40 -0.90 -0.22 0.00 -0.03 0.00 0.00 56.01 55.26 1wg6 n LEU 74 Cb 1.88 -0.90 -0.17 0.00 -2.33 0.00 0.00 43.42 41.91 1wg6 n LEU 74 CO 0.40 -2.41 -0.41 -0.13 -1.33 0.00 0.00 177.39 173.51 1wg6 s ARG 75 N -5.03 0.97 1.01 3.23 1.81 -1.26 -5.00 118.95 114.67 1wg6 s ARG 75 Ca 0.62 -0.12 -0.22 0.00 -1.72 0.00 0.00 55.73 54.29 1wg6 s ARG 75 Cb -0.09 -1.02 -0.14 0.00 -0.45 0.00 0.00 34.95 33.26 1wg6 s ARG 75 CO 0.50 -0.13 -1.03 0.00 -0.68 0.00 0.00 175.30 173.95 1wg6 n MET 76 N 4.34 -0.18 -1.09 3.54 0.00 -1.26 -3.21 117.12 119.26 1wg6 n MET 76 Ca -0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 57.70 57.42 1wg6 n MET 76 Cb 0.51 -1.12 -0.01 0.00 0.00 0.00 0.00 33.22 32.59 1wg6 n MET 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1wg6 n ASN 77 N 2.68 -3.57 -4.63 3.17 3.02 0.49 -4.83 115.26 111.58 1wg6 n ASN 77 Ca -0.01 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.19 1wg6 n ASN 77 Cb 0.66 -1.35 -0.02 0.00 -0.61 0.00 0.00 39.78 38.46 1wg6 n ASN 77 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wg6 s ASP 78 N -2.67 6.88 -0.21 6.41 1.01 -1.20 -4.60 116.67 122.29 1wg6 s ASP 78 Ca 0.00 1.03 -0.29 0.00 0.71 0.00 0.00 52.55 54.00 1wg6 s ASP 78 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 1wg6 s ASP 78 CO 0.00 -0.93 1.55 -1.58 0.21 0.00 0.00 175.17 174.42 1wg6 s GLN 79 N 3.78 3.88 -0.93 8.23 0.74 -1.26 -2.99 119.66 131.11 1wg6 s GLN 79 Ca 0.47 1.66 -0.23 0.00 0.05 0.00 0.00 55.36 57.31 1wg6 s GLN 79 Cb -0.12 -3.99 0.06 0.00 1.10 0.00 0.00 33.01 30.06 1wg6 s GLN 79 CO 0.18 -1.19 1.33 -0.51 -0.55 0.00 0.00 175.29 174.55 1wg6 s LEU 80 N 4.86 3.79 0.10 3.68 1.02 -1.22 -3.35 118.68 127.58 1wg6 s LEU 80 Ca 0.68 -1.37 -0.14 0.00 0.02 0.00 0.00 54.13 53.33 1wg6 s LEU 80 Cb -0.24 -2.53 -0.11 0.00 0.02 0.00 0.00 46.19 43.33 1wg6 s LEU 80 CO 0.27 -1.48 1.37 0.16 0.02 0.00 0.00 176.35 176.70 1wg6 h ILE 81 N 6.44 1.30 -4.37 -0.59 3.07 -1.70 -3.42 117.51 118.23 1wg6 h ILE 81 Ca 0.08 -1.69 -0.27 0.00 1.55 0.00 0.00 64.86 64.53 1wg6 h ILE 81 Cb 1.02 1.73 -0.12 0.00 -0.27 0.00 0.00 36.82 39.19 1wg6 h ILE 81 CO 1.33 0.54 -0.39 0.00 -1.05 0.00 0.00 178.15 178.58 1wg6 s ALA 82 N -4.09 0.97 -0.29 0.16 0.00 -1.21 -0.01 121.76 117.29 1wg6 s ALA 82 Ca -0.11 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.14 1wg6 s ALA 82 Cb 0.09 1.29 0.11 0.00 0.00 0.00 0.00 23.12 24.62 1wg6 s ALA 82 CO 0.87 -0.70 0.65 0.54 0.00 0.00 0.00 175.76 177.11 1wg6 s VAL 83 N -3.70 -0.70 -1.33 0.00 0.11 -0.48 -2.46 120.40 111.84 1wg6 s VAL 83 Ca 0.34 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 1wg6 s VAL 83 Cb 0.03 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1wg6 s VAL 83 CO 0.17 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.53 1wg6 n ASN 84 N 5.12 -5.59 0.00 3.54 3.02 -0.59 0.45 115.26 121.21 1wg6 n ASN 84 Ca -0.14 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1wg6 n ASN 84 Cb 0.52 -4.26 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 1wg6 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wg6 n GLY 85 N 0.15 2.68 3.73 7.41 0.00 -1.26 -4.96 105.19 112.94 1wg6 n GLY 85 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1wg6 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg6 s GLU 86 N -0.74 1.80 -0.18 1.61 0.41 0.17 -5.02 118.70 116.75 1wg6 s GLU 86 Ca 0.00 1.37 -0.05 0.00 -0.41 0.00 0.00 54.97 55.87 1wg6 s GLU 86 Cb 0.00 -1.83 -0.03 0.00 -1.78 0.00 0.00 34.13 30.49 1wg6 s GLU 86 CO 0.00 -2.01 0.01 -0.08 -0.49 0.00 0.00 175.26 172.69 1wg6 s THR 87 N -2.71 4.23 -0.04 3.63 -1.32 -1.26 -1.38 115.64 116.78 1wg6 s THR 87 Ca 0.64 -0.23 0.18 0.00 -1.21 0.00 0.00 61.69 61.08 1wg6 s THR 87 Cb -0.20 -2.90 -0.28 0.00 -1.51 0.00 0.00 72.50 67.62 1wg6 s THR 87 CO 0.55 0.45 0.40 0.18 -2.21 0.00 0.00 174.62 174.00 1wg6 n LEU 88 N 3.83 0.02 0.07 9.08 4.77 0.99 -4.40 117.00 131.36 1wg6 n LEU 88 Ca -0.17 -0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.76 1wg6 n LEU 88 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1wg6 n LEU 88 CO 0.33 0.01 0.51 -0.07 -1.33 0.00 0.00 177.39 176.83 1wg6 h LEU 89 N 0.00 -0.32 -1.67 2.23 3.38 -1.80 -1.20 115.31 115.93 1wg6 h LEU 89 Ca 0.00 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.10 1wg6 h LEU 89 Cb 0.81 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1wg6 h LEU 89 CO 0.00 -0.16 0.59 1.23 0.09 0.00 0.00 178.44 180.19 1wg6 h GLY 90 N -0.24 0.00 -0.84 0.83 0.00 -1.91 -3.40 103.07 97.51 1wg6 h GLY 90 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.02 1wg6 h GLY 90 CO -0.01 0.00 0.09 0.28 0.00 0.00 0.00 176.54 176.90 1wg6 n LYS 91 N -3.31 0.06 0.00 4.80 5.02 -0.45 -5.11 118.16 119.16 1wg6 n LYS 91 Ca 0.07 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.63 1wg6 n LYS 91 Cb 0.74 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 1wg6 n LYS 91 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wg6 n SER 92 N -2.99 0.93 0.20 4.39 2.88 -1.25 -4.88 113.62 112.89 1wg6 n SER 92 Ca 0.11 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.56 1wg6 n SER 92 Cb 0.38 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.80 1wg6 n SER 92 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1wg6 h ASN 93 N 0.00 -0.49 0.01 -3.46 4.21 -1.92 -2.23 115.58 111.71 1wg6 h ASN 93 Ca 0.00 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 1wg6 h ASN 93 Cb 0.00 0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1wg6 h ASN 93 CO 0.00 -0.09 -0.01 -0.74 -1.29 0.00 0.00 177.43 175.31 1wg6 h HIS 94 N -1.10 -0.03 -0.13 1.19 -0.00 -1.98 0.13 115.15 113.24 1wg6 h HIS 94 Ca -0.06 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.32 1wg6 h HIS 94 Cb 0.44 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.84 1wg6 h HIS 94 CO 0.01 -0.01 -0.08 0.39 -0.00 0.00 0.00 177.93 178.24 1wg6 n GLU 95 N -2.36 -0.06 -0.05 5.26 1.02 -1.26 0.19 120.64 123.38 1wg6 n GLU 95 Ca -0.00 0.97 -0.01 0.00 -0.02 0.00 0.00 57.16 58.10 1wg6 n GLU 95 Cb 0.01 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 1wg6 n GLU 95 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wg6 n ALA 96 N -2.97 -0.08 -0.30 0.62 0.00 -0.84 0.75 120.51 117.70 1wg6 n ALA 96 Ca 0.00 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1wg6 n ALA 96 Cb 0.03 0.40 0.30 0.00 0.00 0.00 0.00 19.45 20.19 1wg6 n ALA 96 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1wg6 h MET 97 N 0.00 0.36 -0.08 0.00 2.86 0.24 1.03 114.93 119.34 1wg6 h MET 97 Ca 0.02 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1wg6 h MET 97 Cb 0.05 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1wg6 h MET 97 CO -0.11 0.24 -0.00 1.05 1.06 0.00 0.00 176.91 179.15 1wg6 h GLU 98 N 0.37 0.11 0.07 1.72 -0.00 0.74 -2.18 114.58 115.41 1wg6 h GLU 98 Ca 0.55 -0.01 -0.20 0.00 -0.00 0.00 0.00 59.36 59.70 1wg6 h GLU 98 Cb 1.06 -0.02 0.02 0.00 -0.00 0.00 0.00 28.75 29.80 1wg6 h GLU 98 CO -0.54 0.13 -0.82 1.15 -0.00 0.00 0.00 179.01 178.92 1wg6 h THR 99 N 0.11 1.41 0.00 -1.06 2.02 0.71 -3.10 112.91 113.00 1wg6 h THR 99 Ca 0.03 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.91 1wg6 h THR 99 Cb 0.09 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1wg6 h THR 99 CO 0.00 0.67 0.00 -0.11 0.37 0.00 0.00 175.52 176.45 1wg6 n LEU 100 N -4.08 0.00 -0.32 2.58 7.94 0.34 -0.71 117.00 122.76 1wg6 n LEU 100 Ca -0.12 0.81 0.35 0.00 -1.11 0.00 0.00 56.01 55.94 1wg6 n LEU 100 Cb 0.79 -0.31 0.62 0.00 0.53 0.00 0.00 43.42 45.06 1wg6 n LEU 100 CO 0.50 -0.31 1.32 0.08 -1.11 0.00 0.00 177.39 177.87 1wg6 h ARG 101 N 0.00 0.00 0.54 1.96 0.11 -1.59 0.29 114.38 115.69 1wg6 h ARG 101 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1wg6 h ARG 101 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 1wg6 h ARG 101 CO 0.00 0.00 -0.26 -0.09 0.10 0.00 0.00 179.97 179.72 1wg6 h ARG 102 N 0.00 -0.70 -0.80 0.08 2.43 -1.04 -2.95 114.38 111.40 1wg6 h ARG 102 Ca 0.58 0.05 0.19 0.00 -0.81 0.00 0.00 59.98 59.99 1wg6 h ARG 102 Cb 2.83 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 32.49 1wg6 h ARG 102 CO -0.01 -0.47 0.54 0.77 -1.51 0.00 0.00 179.97 179.30 1wg6 h SER 103 N -1.04 0.26 -0.86 -3.80 0.02 0.18 1.26 113.55 109.56 1wg6 h SER 103 Ca -0.07 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1wg6 h SER 103 Cb 0.56 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1wg6 h SER 103 CO 0.12 0.12 0.56 0.24 -1.14 0.00 0.00 176.83 176.73 1wg6 h MET 104 N 0.27 0.93 0.00 3.45 2.86 -1.13 1.74 114.93 123.05 1wg6 h MET 104 Ca 0.40 -0.06 -0.23 0.00 -2.06 0.00 0.00 59.70 57.75 1wg6 h MET 104 Cb 1.15 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 1wg6 h MET 104 CO -0.10 0.62 -2.02 0.43 1.06 0.00 0.00 176.91 176.90 1wg6 n SER 105 N -4.48 0.26 -0.01 1.22 7.64 0.77 -3.52 113.62 115.49 1wg6 n SER 105 Ca 0.13 0.12 -0.00 0.00 1.01 0.00 0.00 58.87 60.12 1wg6 n SER 105 Cb 0.20 0.97 -0.00 0.00 -1.01 0.00 0.00 64.21 64.37 1wg6 n SER 105 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1wg6 h MET 106 N 0.00 0.00 -0.04 1.43 2.07 0.19 -2.98 114.93 115.60 1wg6 h MET 106 Ca -0.31 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.33 1wg6 h MET 106 Cb 1.78 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 31.51 1wg6 h MET 106 CO 0.03 0.00 0.08 0.93 1.07 0.00 0.00 176.91 179.02 1wg6 h GLU 107 N -0.15 0.00 -0.00 1.72 4.39 0.24 0.52 114.58 121.29 1wg6 h GLU 107 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wg6 h GLU 107 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1wg6 h GLU 107 CO 0.00 0.00 -0.35 0.41 -1.16 0.00 0.00 179.01 177.91 1wg6 n GLY 108 N -1.25 -0.89 0.08 -3.84 0.00 0.01 0.32 105.19 99.62 1wg6 n GLY 108 Ca -0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1wg6 n GLY 108 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wg6 h ASN 109 N 0.68 0.00 0.17 1.61 2.35 0.19 -3.06 115.58 117.51 1wg6 h ASN 109 Ca 0.00 -0.21 -0.29 0.00 -0.55 0.00 0.00 56.30 55.25 1wg6 h ASN 109 Cb 0.50 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.90 1wg6 h ASN 109 CO 0.00 1.05 -1.25 0.16 -1.65 0.00 0.00 177.43 175.74 1wg6 h ILE 110 N -1.00 1.32 0.00 2.81 -2.65 -1.55 -3.41 117.51 113.02 1wg6 h ILE 110 Ca -0.14 -2.54 0.00 0.00 1.03 0.00 0.00 64.86 63.21 1wg6 h ILE 110 Cb 0.82 2.90 0.00 0.00 -2.05 0.00 0.00 36.82 38.49 1wg6 h ILE 110 CO -0.09 0.76 0.00 -1.14 0.03 0.00 0.00 178.15 177.72 1wg6 n ARG 111 N -3.83 0.00 0.00 0.16 0.63 -0.53 -5.04 116.66 108.04 1wg6 n ARG 111 Ca -0.15 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1wg6 n ARG 111 Cb 1.00 -0.46 0.00 0.00 0.45 0.00 0.00 32.46 33.45 1wg6 n ARG 111 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wg6 n GLY 112 N 1.98 1.59 3.24 5.14 0.00 0.15 -4.90 105.19 112.39 1wg6 n GLY 112 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1wg6 n GLY 112 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wg6 s MET 113 N -0.08 1.10 -0.08 1.61 -1.94 -1.22 0.20 119.30 118.89 1wg6 s MET 113 Ca 0.00 -1.40 -0.07 0.00 -1.71 0.00 0.00 55.69 52.51 1wg6 s MET 113 Cb 0.00 0.30 0.03 0.00 2.01 0.00 0.00 34.83 37.17 1wg6 s MET 113 CO 0.00 -0.36 0.22 -1.50 -0.01 0.00 0.00 175.02 173.37 1wg6 s ILE 114 N -4.05 -0.01 0.02 2.53 2.07 0.21 -4.06 121.20 117.91 1wg6 s ILE 114 Ca 0.26 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.55 1wg6 s ILE 114 Cb 0.06 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.29 1wg6 s ILE 114 CO 0.04 0.01 -0.01 -1.58 -1.91 0.00 0.00 174.94 171.49 1wg6 s GLN 115 N 0.33 2.68 -0.15 3.50 0.74 -1.26 -0.93 119.66 124.57 1wg6 s GLN 115 Ca -0.02 -0.69 0.01 0.00 0.05 0.00 0.00 55.36 54.71 1wg6 s GLN 115 Cb -0.03 -2.60 0.02 0.00 1.10 0.00 0.00 33.01 31.49 1wg6 s GLN 115 CO -0.01 0.60 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.66 1wg6 s LEU 116 N -1.70 1.77 -0.35 3.68 1.43 -0.98 -1.55 118.68 120.98 1wg6 s LEU 116 Ca 0.20 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 1wg6 s LEU 116 Cb -0.11 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1wg6 s LEU 116 CO 0.11 -0.03 0.19 -0.69 0.23 0.00 0.00 176.35 176.16 1wg6 s VAL 117 N 1.35 4.54 0.16 -1.59 1.01 -1.03 -2.92 120.40 121.92 1wg6 s VAL 117 Ca 0.03 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1wg6 s VAL 117 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1wg6 s VAL 117 CO -0.09 -0.14 0.13 0.27 0.00 0.00 0.00 175.10 175.26 1wg6 s ILE 118 N 1.56 4.48 -0.07 2.22 -5.25 -0.92 -1.74 121.20 121.48 1wg6 s ILE 118 Ca 0.03 -1.05 -0.02 0.00 -0.99 0.00 0.00 60.65 58.61 1wg6 s ILE 118 Cb -0.19 -3.27 0.03 0.00 2.95 0.00 0.00 42.46 41.98 1wg6 s ILE 118 CO 0.06 -0.09 0.03 -0.22 -1.79 0.00 0.00 174.94 172.93 1wg6 s LEU 119 N -3.03 0.46 -0.09 0.37 1.98 -1.21 -1.98 118.68 115.18 1wg6 s LEU 119 Ca 0.31 -0.10 0.03 0.00 -2.89 0.00 0.00 54.13 51.48 1wg6 s LEU 119 Cb -0.10 -0.34 0.00 0.00 0.66 0.00 0.00 46.19 46.41 1wg6 s LEU 119 CO 0.23 -0.23 -0.20 -0.60 -1.89 0.00 0.00 176.35 173.66 1wg6 s ARG 120 N 2.04 2.63 0.59 1.98 3.52 0.48 -4.61 118.95 125.58 1wg6 s ARG 120 Ca 0.05 -0.73 -0.06 0.00 -0.13 0.00 0.00 55.73 54.86 1wg6 s ARG 120 Cb -0.13 -2.03 0.01 0.00 -1.56 0.00 0.00 34.95 31.24 1wg6 s ARG 120 CO -0.05 0.12 0.89 -0.98 -0.81 0.00 0.00 175.30 174.47 1wg6 s ARG 121 N 0.48 2.90 0.04 5.12 1.70 -1.26 -1.55 118.95 126.38 1wg6 s ARG 121 Ca -0.17 -0.04 -0.26 0.00 -0.47 0.00 0.00 55.73 54.79 1wg6 s ARG 121 Cb -0.17 -2.28 -0.14 0.00 -0.57 0.00 0.00 34.95 31.78 1wg6 s ARG 121 CO 0.07 -0.69 1.40 0.77 -1.08 0.00 0.00 175.30 175.76 1wg6 h SER 122 N -0.16 -0.83 0.00 -2.89 0.02 -1.97 -3.48 113.55 104.25 1wg6 h SER 122 Ca -0.45 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1wg6 h SER 122 Cb 1.26 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.02 1wg6 h SER 122 CO 0.60 -0.57 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 1wg6 n GLY 123 N -1.47 0.27 3.26 -3.77 0.00 -1.26 -4.97 105.19 97.25 1wg6 n GLY 123 Ca -0.12 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 1wg6 n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wg6 n PRO 124 N 0.00 2.27 -0.03 1.61 -0.04 -1.26 -4.36 135.00 133.20 1wg6 n PRO 124 Ca 0.00 -2.54 -0.07 0.00 -0.04 0.00 0.00 63.50 60.84 1wg6 n PRO 124 Cb 0.00 -3.36 -0.02 0.00 -0.04 0.00 0.00 33.50 30.08 1wg6 n PRO 124 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wg6 n SER 125 N 9.14 1.15 -4.48 3.54 7.64 -1.26 -4.98 113.62 124.37 1wg6 n SER 125 Ca 0.49 0.18 -0.36 0.00 1.01 0.00 0.00 58.87 60.18 1wg6 n SER 125 Cb 0.43 -0.42 -0.12 0.00 -1.01 0.00 0.00 64.21 63.09 1wg6 n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wg6 s SER 126 N -5.98 5.25 0.00 6.43 1.04 -1.26 -5.26 113.70 113.93 1wg6 s SER 126 Ca -0.13 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1wg6 s SER 126 Cb 0.04 -1.94 0.00 0.00 0.10 0.00 0.00 66.02 64.21 1wg6 s SER 126 CO 0.18 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.00