#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wg6 s SER 2 N 0.00 -0.09 -0.15 1.61 0.01 -1.26 -5.15 113.70 108.67 1wg6 s SER 2 Ca 0.00 -0.90 -0.04 0.00 1.31 0.00 0.00 55.95 56.32 1wg6 s SER 2 Cb 0.00 0.61 0.06 0.00 0.21 0.00 0.00 66.02 66.91 1wg6 s SER 2 CO 0.00 -1.19 0.14 -0.55 0.41 0.00 0.00 173.24 172.05 1wg6 s SER 3 N -3.01 1.60 0.03 2.44 0.15 -1.26 -5.15 113.70 108.50 1wg6 s SER 3 Ca 0.21 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1wg6 s SER 3 Cb -0.02 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1wg6 s SER 3 CO 0.09 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1wg6 n GLY 4 N 5.30 1.84 3.82 9.45 0.00 -1.26 -5.15 105.19 119.20 1wg6 n GLY 4 Ca -0.06 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.79 1wg6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wg6 s SER 5 N -1.00 -0.15 0.16 1.61 1.04 -1.26 -5.19 113.70 108.91 1wg6 s SER 5 Ca 0.00 -0.69 -0.24 0.00 0.48 0.00 0.00 55.95 55.50 1wg6 s SER 5 Cb 0.00 0.67 0.06 0.00 0.10 0.00 0.00 66.02 66.85 1wg6 s SER 5 CO 0.00 -1.28 0.87 -0.44 0.98 0.00 0.00 173.24 173.37 1wg6 s SER 6 N -3.01 -0.25 0.14 7.02 0.01 -1.26 -5.18 113.70 111.17 1wg6 s SER 6 Ca 0.13 -0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.08 1wg6 s SER 6 Cb -0.04 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 1wg6 s SER 6 CO 0.07 -0.98 -0.15 -0.83 0.41 0.00 0.00 173.24 171.76 1wg6 s GLY 7 N -2.87 1.17 -0.43 3.44 0.00 -1.26 -5.11 107.32 102.27 1wg6 s GLY 7 Ca 0.10 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.47 1wg6 s GLY 7 CO 0.01 -1.44 0.19 0.48 0.00 0.00 0.00 173.10 172.34 1wg6 s LEU 8 N -2.61 3.47 0.03 0.66 2.34 -1.26 -5.10 118.68 116.22 1wg6 s LEU 8 Ca 0.12 -2.51 0.03 0.00 0.06 0.00 0.00 54.13 51.83 1wg6 s LEU 8 Cb -0.04 -1.29 -0.04 0.00 -0.56 0.00 0.00 46.19 44.26 1wg6 s LEU 8 CO 0.04 -0.30 -0.02 -0.54 -1.06 0.00 0.00 176.35 174.47 1wg6 s LYS 9 N 0.45 2.63 0.26 1.48 3.01 -1.26 -5.11 119.74 121.20 1wg6 s LYS 9 Ca 0.15 -0.72 -0.21 0.00 -1.01 0.00 0.00 55.97 54.18 1wg6 s LYS 9 Cb -0.23 -2.58 0.05 0.00 -1.01 0.00 0.00 37.83 34.06 1wg6 s LYS 9 CO -0.05 0.59 0.83 0.20 0.51 0.00 0.00 175.35 177.43 1wg6 s GLY 10 N -1.78 0.01 -0.35 -3.33 0.00 -1.26 -5.14 107.32 95.47 1wg6 s GLY 10 Ca 0.21 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.65 1wg6 s GLY 10 CO 0.12 0.14 0.42 -0.54 0.00 0.00 0.00 173.10 173.25 1wg6 s GLU 11 N -3.19 0.60 -1.19 2.90 2.02 -1.26 -5.06 118.70 113.53 1wg6 s GLU 11 Ca 0.14 -0.51 -0.19 0.00 0.02 0.00 0.00 54.97 54.42 1wg6 s GLU 11 Cb -0.04 -0.50 -0.03 0.00 0.10 0.00 0.00 34.13 33.66 1wg6 s GLU 11 CO 0.07 -1.15 1.93 -0.35 0.02 0.00 0.00 175.26 175.78 1wg6 n PRO 12 N 4.57 2.31 -3.77 0.39 -0.04 -1.26 -4.84 135.00 132.37 1wg6 n PRO 12 Ca 0.08 -2.61 -0.26 0.00 -0.04 0.00 0.00 63.50 60.67 1wg6 n PRO 12 Cb 0.48 -3.40 -0.17 0.00 -0.04 0.00 0.00 33.50 30.37 1wg6 n PRO 12 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wg6 s ASP 13 N 4.84 2.42 -0.00 3.54 1.11 -1.26 -5.11 116.67 122.21 1wg6 s ASP 13 Ca 0.58 -0.54 -0.29 0.00 0.18 0.00 0.00 52.55 52.48 1wg6 s ASP 13 Cb 0.07 -0.58 0.10 0.00 1.07 0.00 0.00 42.92 43.58 1wg6 s ASP 13 CO 0.07 -0.25 1.03 0.00 1.18 0.00 0.00 175.17 177.20 1wg6 s TYR 15 N -2.92 -0.15 -0.27 0.00 5.04 -1.26 -5.18 117.35 112.62 1wg6 s TYR 15 Ca 0.09 -0.06 -0.26 0.00 -2.44 0.00 0.00 57.07 54.40 1wg6 s TYR 15 Cb -0.00 0.59 0.14 0.00 0.35 0.00 0.00 41.96 43.04 1wg6 s TYR 15 CO -0.04 -0.60 1.15 0.00 -1.34 0.00 0.00 175.55 174.72 1wg6 s ALA 16 N -2.98 -2.04 0.16 3.97 0.00 -1.26 -5.18 121.76 114.43 1wg6 s ALA 16 Ca 0.11 1.78 0.04 0.00 0.00 0.00 0.00 51.96 53.89 1wg6 s ALA 16 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 1wg6 s ALA 16 CO -0.02 -0.21 -0.07 -0.48 0.00 0.00 0.00 175.76 174.98 1wg6 s LEU 17 N -0.09 2.42 0.08 0.00 0.05 -1.26 -5.17 118.68 114.72 1wg6 s LEU 17 Ca 0.04 -1.07 0.04 0.00 0.05 0.00 0.00 54.13 53.18 1wg6 s LEU 17 Cb -0.04 -0.28 -0.03 0.00 -2.05 0.00 0.00 46.19 43.79 1wg6 s LEU 17 CO -0.08 -0.40 -0.10 -0.55 -0.55 0.00 0.00 176.35 174.66 1wg6 s SER 18 N -3.19 1.38 0.13 1.48 0.15 -1.26 -5.16 113.70 107.24 1wg6 s SER 18 Ca 0.19 -0.72 0.07 0.00 0.70 0.00 0.00 55.95 56.18 1wg6 s SER 18 Cb 0.04 0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1wg6 s SER 18 CO 0.02 -0.22 -0.02 -0.76 1.20 0.00 0.00 173.24 173.46 1wg6 s LEU 19 N -2.14 3.29 0.27 3.45 1.43 -1.26 -5.12 118.68 118.60 1wg6 s LEU 19 Ca 0.01 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 1wg6 s LEU 19 Cb -0.06 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 1wg6 s LEU 19 CO 0.00 0.13 0.62 -1.83 0.23 0.00 0.00 176.35 175.51 1wg6 s GLU 20 N -2.58 3.88 -0.03 1.70 4.04 -1.26 -5.08 118.70 119.37 1wg6 s GLU 20 Ca 0.26 0.43 -0.29 0.00 0.04 0.00 0.00 54.97 55.40 1wg6 s GLU 20 Cb -0.10 -2.56 0.11 0.00 0.02 0.00 0.00 34.13 31.59 1wg6 s GLU 20 CO 0.17 0.25 0.91 -1.12 -1.84 0.00 0.00 175.26 173.63 1wg6 s SER 21 N -2.34 -0.36 0.42 0.83 0.01 -1.26 -5.18 113.70 105.83 1wg6 s SER 21 Ca 0.50 0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.81 1wg6 s SER 21 Cb -0.11 0.37 -0.00 0.00 0.21 0.00 0.00 66.02 66.49 1wg6 s SER 21 CO 0.20 -0.58 0.62 -0.44 0.41 0.00 0.00 173.24 173.45 1wg6 s SER 22 N -2.36 5.87 -0.18 2.44 0.01 -1.26 -4.71 113.70 113.51 1wg6 s SER 22 Ca 0.05 0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.44 1wg6 s SER 22 Cb -0.01 -1.47 -0.02 0.00 0.21 0.00 0.00 66.02 64.73 1wg6 s SER 22 CO -0.08 -0.63 -0.04 -1.61 0.41 0.00 0.00 173.24 171.29 1wg6 s GLU 23 N -4.46 3.56 -0.02 12.44 2.02 -0.66 -5.00 118.70 126.58 1wg6 s GLU 23 Ca 0.47 -0.56 0.06 0.00 0.02 0.00 0.00 54.97 54.96 1wg6 s GLU 23 Cb -0.10 -2.94 -0.01 0.00 0.10 0.00 0.00 34.13 31.18 1wg6 s GLU 23 CO 0.36 0.09 -0.19 -1.14 0.02 0.00 0.00 175.26 174.40 1wg6 s GLN 24 N 0.76 1.60 0.02 1.61 -0.44 -1.26 0.12 119.66 122.07 1wg6 s GLN 24 Ca -0.02 -0.68 0.07 0.00 -2.50 0.00 0.00 55.36 52.24 1wg6 s GLN 24 Cb -0.15 -1.52 -0.03 0.00 -1.64 0.00 0.00 33.01 29.68 1wg6 s GLN 24 CO 0.02 0.39 -0.20 -0.51 0.50 0.00 0.00 175.29 175.49 1wg6 s LEU 25 N -0.37 2.49 -0.23 3.68 1.43 -0.40 -4.97 118.68 120.31 1wg6 s LEU 25 Ca 0.06 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1wg6 s LEU 25 Cb -0.08 -1.47 0.05 0.00 0.03 0.00 0.00 46.19 44.72 1wg6 s LEU 25 CO -0.00 0.28 -0.11 -0.89 0.23 0.00 0.00 176.35 175.86 1wg6 s THR 26 N -0.83 1.94 -0.09 5.49 2.01 -1.26 -2.14 115.64 120.76 1wg6 s THR 26 Ca 0.13 -1.36 -0.02 0.00 0.31 0.00 0.00 61.69 60.76 1wg6 s THR 26 Cb -0.10 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1wg6 s THR 26 CO 0.03 0.06 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.25 1wg6 s LEU 27 N 1.23 3.49 -0.34 4.42 2.01 -1.02 -4.96 118.68 123.51 1wg6 s LEU 27 Ca -0.05 0.09 -0.08 0.00 0.01 0.00 0.00 54.13 54.10 1wg6 s LEU 27 Cb -0.18 -1.79 0.03 0.00 0.01 0.00 0.00 46.19 44.26 1wg6 s LEU 27 CO -0.07 0.36 0.13 -1.61 1.01 0.00 0.00 176.35 176.17 1wg6 s GLU 28 N -0.76 2.73 -0.28 1.70 2.02 -1.26 -1.92 118.70 120.93 1wg6 s GLU 28 Ca 0.12 -1.11 -0.05 0.00 0.02 0.00 0.00 54.97 53.94 1wg6 s GLU 28 Cb -0.11 -3.53 0.01 0.00 0.10 0.00 0.00 34.13 30.60 1wg6 s GLU 28 CO 0.02 -0.65 0.03 0.42 0.02 0.00 0.00 175.26 175.10 1wg6 s ILE 29 N 1.46 3.61 0.36 -1.63 1.01 0.27 -4.97 121.20 121.31 1wg6 s ILE 29 Ca -0.00 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.62 1wg6 s ILE 29 Cb -0.19 -2.84 -0.09 0.00 0.01 0.00 0.00 42.46 39.35 1wg6 s ILE 29 CO 0.04 0.14 1.06 -2.16 0.00 0.00 0.00 174.94 174.02 1wg6 s PRO 30 N 1.45 4.32 -0.47 2.79 0.04 -1.26 0.56 135.00 142.43 1wg6 s PRO 30 Ca 0.02 1.60 0.08 0.00 0.04 0.00 0.00 61.00 62.75 1wg6 s PRO 30 Cb -0.17 -2.75 0.37 0.00 0.04 0.00 0.00 34.50 31.99 1wg6 s PRO 30 CO 0.00 -0.03 0.93 1.28 0.04 0.00 0.00 177.00 179.22 1wg6 n LEU 31 N 0.34 3.24 -0.05 -3.56 4.77 0.14 -4.70 117.00 117.17 1wg6 n LEU 31 Ca 0.03 -5.18 -0.04 0.00 -0.03 0.00 0.00 56.01 50.79 1wg6 n LEU 31 Cb 0.48 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1wg6 n LEU 31 CO 0.48 2.22 -0.30 0.59 -1.33 0.00 0.00 177.39 179.05 1wg6 n ASN 32 N -0.14 1.31 0.03 -1.43 3.02 -1.23 -3.18 115.26 113.64 1wg6 n ASN 32 Ca 0.28 0.45 -0.22 0.00 -0.03 0.00 0.00 54.58 55.07 1wg6 n ASN 32 Cb 0.56 -0.74 -0.14 0.00 -0.61 0.00 0.00 39.78 38.85 1wg6 n ASN 32 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1wg6 h ASP 33 N -0.71 0.46 0.85 6.41 1.82 -1.93 -3.34 116.42 119.97 1wg6 h ASP 33 Ca 0.00 -0.89 -0.16 0.00 -0.39 0.00 0.00 57.03 55.60 1wg6 h ASP 33 Cb 0.45 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.28 1wg6 h ASP 33 CO 0.00 1.61 -0.74 0.28 -1.61 0.00 0.00 179.24 178.78 1wg6 h SER 34 N -0.23 0.00 -0.92 2.28 0.02 -1.86 -3.23 113.55 109.62 1wg6 h SER 34 Ca -0.28 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 60.92 1wg6 h SER 34 Cb 1.81 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 64.22 1wg6 h SER 34 CO 0.11 0.74 0.39 1.23 -1.14 0.00 0.00 176.83 178.16 1wg6 h GLY 35 N 2.43 1.62 -0.92 -3.77 0.00 -1.66 0.73 103.07 101.50 1wg6 h GLY 35 Ca -0.01 -0.15 0.20 0.00 0.00 0.00 0.00 47.33 47.38 1wg6 h GLY 35 CO 0.10 -0.35 -0.15 -1.26 0.00 0.00 0.00 176.54 174.87 1wg6 n SER 36 N -5.10 -0.26 -0.04 0.19 2.88 -1.22 -0.59 113.62 109.48 1wg6 n SER 36 Ca 0.24 1.57 -0.17 0.00 -1.33 0.00 0.00 58.87 59.19 1wg6 n SER 36 Cb 0.75 -0.50 -0.14 0.00 -0.75 0.00 0.00 64.21 63.57 1wg6 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wg6 n ALA 37 N -3.52 1.21 0.00 -1.46 0.00 0.27 -5.10 120.51 111.90 1wg6 n ALA 37 Ca 0.17 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1wg6 n ALA 37 Cb 0.53 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1wg6 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wg6 n GLY 38 N 1.94 0.51 0.08 0.00 0.00 0.23 -4.88 105.19 103.07 1wg6 n GLY 38 Ca -0.32 -2.16 -0.03 0.00 0.00 0.00 0.00 46.02 43.51 1wg6 n GLY 38 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wg6 h LEU 39 N 0.00 -0.31 0.00 0.99 3.38 -1.87 -3.37 115.31 114.13 1wg6 h LEU 39 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wg6 h LEU 39 Cb 0.00 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wg6 h LEU 39 CO 0.00 -0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.06 1wg6 n GLY 40 N -1.07 0.88 3.07 0.83 0.00 -1.26 -4.17 105.19 103.46 1wg6 n GLY 40 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.71 0.15 -0.10 1.61 -7.23 -1.26 -4.24 120.40 107.62 1wg6 s VAL 41 Ca 0.00 -1.20 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 1wg6 s VAL 41 Cb 0.00 -0.84 -0.03 0.00 0.56 0.00 0.00 36.38 36.07 1wg6 s VAL 41 CO 0.00 -0.66 -0.06 -0.55 -0.31 0.00 0.00 175.10 173.52 1wg6 s SER 42 N -2.10 4.66 0.48 4.85 0.15 -1.25 -5.06 113.70 115.44 1wg6 s SER 42 Ca -0.06 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1wg6 s SER 42 Cb -0.02 -1.40 -0.02 0.00 -1.71 0.00 0.00 66.02 62.87 1wg6 s SER 42 CO -0.05 0.29 0.10 -0.76 1.20 0.00 0.00 173.24 174.02 1wg6 s LEU 43 N -0.37 2.59 0.42 3.45 1.43 -1.26 -0.40 118.68 124.53 1wg6 s LEU 43 Ca 0.05 -1.45 0.03 0.00 -1.03 0.00 0.00 54.13 51.74 1wg6 s LEU 43 Cb -0.12 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1wg6 s LEU 43 CO 0.02 -0.78 0.07 -1.59 0.23 0.00 0.00 176.35 174.30 1wg6 s LYS 44 N -3.92 1.95 -0.17 1.70 -2.85 0.25 -4.69 119.74 112.02 1wg6 s LYS 44 Ca 0.21 -2.18 -0.05 0.00 -1.00 0.00 0.00 55.97 52.94 1wg6 s LYS 44 Cb 0.03 -1.01 0.06 0.00 -2.06 0.00 0.00 37.83 34.85 1wg6 s LYS 44 CO 0.12 -0.35 0.09 0.20 0.10 0.00 0.00 175.35 175.50 1wg6 s GLY 45 N -3.67 0.36 0.06 0.59 0.00 -1.26 -2.60 107.32 100.80 1wg6 s GLY 45 Ca 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1wg6 s GLY 45 CO 0.12 1.72 0.25 0.21 0.00 0.00 0.00 173.10 175.40 1wg6 s ASN 46 N 2.13 6.41 0.07 1.64 3.84 -1.24 -5.06 114.94 122.74 1wg6 s ASN 46 Ca 0.02 0.39 0.06 0.00 0.21 0.00 0.00 52.86 53.55 1wg6 s ASN 46 Cb -0.16 -2.01 -0.03 0.00 -0.55 0.00 0.00 41.25 38.50 1wg6 s ASN 46 CO -0.09 0.17 -0.17 -0.75 -2.79 0.00 0.00 177.10 173.47 1wg6 s LYS 47 N -2.34 0.97 -0.27 0.43 2.20 -1.26 -2.47 119.74 116.99 1wg6 s LYS 47 Ca 0.34 -0.98 -0.09 0.00 -0.36 0.00 0.00 55.97 54.87 1wg6 s LYS 47 Cb -0.13 -1.07 -0.03 0.00 -1.51 0.00 0.00 37.83 35.09 1wg6 s LYS 47 CO 0.24 0.25 0.14 0.45 -0.36 0.00 0.00 175.35 176.07 1wg6 s SER 48 N -1.65 5.58 -0.03 1.43 0.15 0.20 -4.79 113.70 114.59 1wg6 s SER 48 Ca 0.02 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1wg6 s SER 48 Cb -0.10 -2.02 -0.25 0.00 -1.71 0.00 0.00 66.02 61.95 1wg6 s SER 48 CO 0.03 -0.07 0.71 -0.09 1.20 0.00 0.00 173.24 175.02 1wg6 h ARG 49 N 8.32 0.12 -0.02 5.44 2.43 -1.93 0.96 114.38 129.69 1wg6 h ARG 49 Ca -0.36 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1wg6 h ARG 49 Cb 1.18 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1wg6 h ARG 49 CO 0.57 0.84 0.10 1.05 -1.51 0.00 0.00 179.97 181.03 1wg6 h GLU 50 N 0.03 0.00 0.00 0.20 4.11 -1.96 -3.17 114.58 113.79 1wg6 h GLU 50 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1wg6 h GLU 50 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1wg6 h GLU 50 CO 0.11 0.00 -0.82 0.25 0.07 0.00 0.00 179.01 178.62 1wg6 n THR 51 N -3.17 0.00 0.00 -1.06 -2.24 -1.24 -5.04 114.28 101.52 1wg6 n THR 51 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1wg6 n THR 51 Cb 0.17 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1wg6 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wg6 n GLY 52 N 3.07 1.02 3.81 3.38 0.00 0.33 -5.09 105.19 111.70 1wg6 n GLY 52 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 2.79 -0.32 2.61 2.01 -0.79 -4.89 115.64 115.04 1wg6 s THR 53 Ca 0.00 -1.51 -0.21 0.00 0.31 0.00 0.00 61.69 60.28 1wg6 s THR 53 Cb 0.00 -3.02 -0.00 0.00 0.01 0.00 0.00 72.50 69.48 1wg6 s THR 53 CO 0.00 -0.07 0.65 1.51 -0.69 0.00 0.00 174.62 176.02 1wg6 s ASP 54 N -3.99 6.49 0.27 3.53 1.47 -1.26 0.58 116.67 123.76 1wg6 s ASP 54 Ca 0.43 0.37 0.00 0.00 1.18 0.00 0.00 52.55 54.53 1wg6 s ASP 54 Cb -0.02 -2.34 0.52 0.00 -0.34 0.00 0.00 42.92 40.75 1wg6 s ASP 54 CO 0.25 -0.53 1.83 -0.07 0.68 0.00 0.00 175.17 177.33 1wg6 h LEU 55 N 9.26 0.86 0.00 2.11 3.38 -1.79 -3.47 115.31 125.66 1wg6 h LEU 55 Ca -0.26 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1wg6 h LEU 55 Cb 1.11 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1wg6 h LEU 55 CO 0.82 0.45 0.00 0.61 0.09 0.00 0.00 178.44 180.42 1wg6 n GLY 56 N -1.34 0.36 3.00 0.83 0.00 -1.24 -4.92 105.19 101.88 1wg6 n GLY 56 Ca 0.18 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 1wg6 n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wg6 s ILE 57 N -3.72 0.54 0.03 -0.61 -1.09 -1.26 -3.62 121.20 111.47 1wg6 s ILE 57 Ca 0.00 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 57.98 1wg6 s ILE 57 Cb 0.00 -0.49 -0.02 0.00 -1.58 0.00 0.00 42.46 40.37 1wg6 s ILE 57 CO 0.00 0.03 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.28 1wg6 s PHE 58 N -0.44 0.88 0.52 3.97 0.40 -1.07 -0.01 117.98 122.24 1wg6 s PHE 58 Ca -0.00 -0.32 -0.22 0.00 -0.60 0.00 0.00 56.93 55.79 1wg6 s PHE 58 Cb -0.04 -0.53 -0.05 0.00 0.51 0.00 0.00 43.02 42.90 1wg6 s PHE 58 CO -0.00 -0.01 1.30 0.42 0.70 0.00 0.00 175.22 177.63 1wg6 s ILE 59 N -0.77 2.36 -0.20 0.64 1.01 -1.20 0.87 121.20 123.92 1wg6 s ILE 59 Ca -0.01 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1wg6 s ILE 59 Cb -0.07 -3.14 -0.08 0.00 0.01 0.00 0.00 42.46 39.19 1wg6 s ILE 59 CO 0.01 -0.01 -0.27 1.17 0.00 0.00 0.00 174.94 175.84 1wg6 n LYS 60 N -0.91 0.53 -3.64 2.79 4.81 0.46 0.13 118.16 122.34 1wg6 n LYS 60 Ca 0.10 0.32 -0.06 0.00 -0.87 0.00 0.00 58.31 57.79 1wg6 n LYS 60 Cb 0.46 -1.52 -0.06 0.00 0.02 0.00 0.00 35.03 33.92 1wg6 n LYS 60 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1wg6 s SER 61 N -6.33 -0.22 0.11 3.14 0.15 -1.16 -4.59 113.70 104.80 1wg6 s SER 61 Ca -0.29 0.39 -0.25 0.00 0.70 0.00 0.00 55.95 56.50 1wg6 s SER 61 Cb 0.06 0.38 -0.07 0.00 -1.71 0.00 0.00 66.02 64.68 1wg6 s SER 61 CO 0.42 -0.10 0.77 -0.63 1.20 0.00 0.00 173.24 174.90 1wg6 s ILE 62 N -0.18 4.52 0.35 6.45 1.09 -1.26 -3.83 121.20 128.33 1wg6 s ILE 62 Ca 0.05 1.68 -0.04 0.00 -1.10 0.00 0.00 60.65 61.23 1wg6 s ILE 62 Cb -0.04 -4.13 -0.05 0.00 -1.06 0.00 0.00 42.46 37.18 1wg6 s ILE 62 CO -0.09 0.46 0.62 -0.63 -0.10 0.00 0.00 174.94 175.19 1wg6 s ILE 63 N -0.68 4.99 -0.04 2.92 1.09 -1.26 -4.94 121.20 123.28 1wg6 s ILE 63 Ca 0.37 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.96 1wg6 s ILE 63 Cb -0.22 -3.78 -0.03 0.00 -1.06 0.00 0.00 42.46 37.36 1wg6 s ILE 63 CO 0.25 -0.48 -0.00 -1.00 -0.10 0.00 0.00 174.94 173.61 1wg6 s HIS 64 N -2.27 3.10 0.00 3.97 3.76 -1.26 -2.41 115.29 120.18 1wg6 s HIS 64 Ca 0.45 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 1wg6 s HIS 64 Cb -0.10 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.87 1wg6 s HIS 64 CO 0.34 0.45 0.00 0.41 -0.85 0.00 0.00 174.74 175.09 1wg6 n GLY 65 N 1.73 0.87 0.00 -2.22 0.00 -1.26 -5.01 105.19 99.30 1wg6 n GLY 65 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.23 5.98 0.12 -0.02 0.00 -1.26 -5.05 105.19 102.72 1wg6 n GLY 66 Ca 0.00 -1.63 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 1wg6 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wg6 n ALA 67 N -3.00 1.12 -0.26 4.61 0.00 -1.26 -4.07 120.51 117.64 1wg6 n ALA 67 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 53.44 52.72 1wg6 n ALA 67 Cb 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 19.45 18.76 1wg6 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wg6 h ALA 68 N 0.43 0.91 -0.93 0.00 0.00 -1.84 -2.61 119.26 115.22 1wg6 h ALA 68 Ca -0.37 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 54.72 1wg6 h ALA 68 Cb 2.03 -0.28 -0.17 0.00 0.00 0.00 0.00 17.79 19.37 1wg6 h ALA 68 CO 0.08 0.44 0.19 0.34 0.00 0.00 0.00 179.25 180.31 1wg6 n PHE 69 N -4.46 0.77 -0.05 0.00 7.35 -1.01 0.19 117.46 120.24 1wg6 n PHE 69 Ca 0.06 1.11 -0.09 0.00 -0.76 0.00 0.00 57.45 57.78 1wg6 n PHE 69 Cb 0.11 -1.31 -0.02 0.00 0.35 0.00 0.00 39.48 38.61 1wg6 n PHE 69 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1wg6 h LYS 70 N 0.00 0.18 0.00 -4.13 1.57 -1.67 0.23 116.57 112.75 1wg6 h LYS 70 Ca 0.64 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 1wg6 h LYS 70 Cb 1.49 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1wg6 h LYS 70 CO -0.82 0.12 0.00 -3.47 -0.57 0.00 0.00 179.45 174.71 1wg6 n ASP 71 N -5.04 0.51 -0.63 0.86 2.03 0.52 -3.68 116.55 111.12 1wg6 n ASP 71 Ca -0.02 0.57 0.47 0.00 0.52 0.00 0.00 54.79 56.33 1wg6 n ASP 71 Cb 0.08 -0.70 0.72 0.00 -0.72 0.00 0.00 41.12 40.51 1wg6 n ASP 71 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wg6 n GLY 72 N 0.97 -0.87 0.59 0.27 0.00 0.50 0.06 105.19 106.70 1wg6 n GLY 72 Ca 0.05 0.61 0.45 0.00 0.00 0.00 0.00 46.02 47.13 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 -3.69 -0.01 -0.23 1.61 1.85 -1.24 -4.27 116.66 110.68 1wg6 n ARG 73 Ca 0.39 0.98 -0.09 0.00 -1.00 0.00 0.00 57.85 58.13 1wg6 n ARG 73 Cb 1.78 -2.20 0.08 0.00 -1.05 0.00 0.00 32.46 31.07 1wg6 n ARG 73 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1wg6 n LEU 74 N -3.82 0.00 -3.79 2.89 4.77 0.11 -5.07 117.00 112.10 1wg6 n LEU 74 Ca 0.39 -0.32 -0.15 0.00 -0.03 0.00 0.00 56.01 55.89 1wg6 n LEU 74 Cb 1.71 -0.30 -0.16 0.00 -2.33 0.00 0.00 43.42 42.34 1wg6 n LEU 74 CO 0.35 -1.54 -0.36 0.00 -1.33 0.00 0.00 177.39 174.51 1wg6 s ARG 75 N -3.71 0.04 1.03 3.23 1.04 -1.26 -5.01 118.95 114.30 1wg6 s ARG 75 Ca 0.21 0.16 -0.23 0.00 -1.04 0.00 0.00 55.73 54.83 1wg6 s ARG 75 Cb -0.03 -0.29 -0.09 0.00 -2.04 0.00 0.00 34.95 32.50 1wg6 s ARG 75 CO 0.17 -0.15 -0.91 0.00 -0.04 0.00 0.00 175.30 174.36 1wg6 n MET 76 N 4.13 -0.47 -0.99 3.89 -0.00 -1.26 -3.08 117.12 119.33 1wg6 n MET 76 Ca -0.27 -0.13 0.00 0.00 -0.00 0.00 0.00 57.70 57.30 1wg6 n MET 76 Cb 0.50 -1.25 0.00 0.00 -0.00 0.00 0.00 33.22 32.48 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 1.77 -1.02 -4.56 3.17 5.03 0.34 -4.85 115.26 115.15 1wg6 n ASN 77 Ca -0.01 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.09 1wg6 n ASN 77 Cb 0.68 -0.21 -0.04 0.00 -1.02 0.00 0.00 39.78 39.19 1wg6 n ASN 77 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1wg6 s ASP 78 N -2.65 5.61 0.24 6.41 1.11 -1.18 -4.60 116.67 121.60 1wg6 s ASP 78 Ca 0.00 -0.50 -0.30 0.00 0.18 0.00 0.00 52.55 51.93 1wg6 s ASP 78 Cb 0.00 -2.55 -0.15 0.00 1.07 0.00 0.00 42.92 41.29 1wg6 s ASP 78 CO 0.00 -2.25 1.12 1.67 1.18 0.00 0.00 175.17 176.89 1wg6 n GLN 79 N 9.04 1.36 -3.20 8.23 7.27 -1.26 -3.24 117.38 135.58 1wg6 n GLN 79 Ca 0.27 0.48 -0.46 0.00 0.07 0.00 0.00 57.00 57.36 1wg6 n GLN 79 Cb 0.50 -1.94 -0.03 0.00 2.41 0.00 0.00 30.24 31.18 1wg6 n GLN 79 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1wg6 s LEU 80 N 0.50 6.07 0.00 1.69 1.02 0.99 -3.82 118.68 125.12 1wg6 s LEU 80 Ca 0.66 -2.20 0.28 0.00 0.02 0.00 0.00 54.13 52.89 1wg6 s LEU 80 Cb -0.76 -2.27 1.58 0.00 0.02 0.00 0.00 46.19 44.76 1wg6 s LEU 80 CO 0.56 -0.82 1.99 2.30 0.02 0.00 0.00 176.35 180.39 1wg6 n ILE 81 N 4.76 0.04 0.00 -0.59 -5.35 -0.74 -4.20 119.36 113.27 1wg6 n ILE 81 Ca 0.08 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1wg6 n ILE 81 Cb 0.46 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.79 1wg6 n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wg6 n ALA 82 N -1.09 0.00 -3.40 -1.28 0.00 -1.25 -4.10 120.51 109.40 1wg6 n ALA 82 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.64 1wg6 n ALA 82 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1wg6 n ALA 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wg6 s VAL 83 N -2.00 -0.50 -1.47 0.00 0.11 0.12 -3.37 120.40 113.28 1wg6 s VAL 83 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1wg6 s VAL 83 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1wg6 s VAL 83 CO 0.00 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.57 1wg6 n ASN 84 N 4.99 -4.78 0.00 3.54 2.85 -0.69 -0.85 115.26 120.32 1wg6 n ASN 84 Ca -0.09 0.34 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 1wg6 n ASN 84 Cb 0.52 -3.50 0.00 0.00 1.24 0.00 0.00 39.78 38.04 1wg6 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wg6 n GLY 85 N -1.13 0.98 3.81 8.20 0.00 -1.26 -4.97 105.19 110.83 1wg6 n GLY 85 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1wg6 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wg6 s GLU 86 N -0.66 4.25 0.49 1.61 2.12 -0.03 -5.06 118.70 121.42 1wg6 s GLU 86 Ca 0.00 0.86 -0.18 0.00 0.36 0.00 0.00 54.97 56.01 1wg6 s GLU 86 Cb 0.00 -2.89 -0.09 0.00 0.26 0.00 0.00 34.13 31.42 1wg6 s GLU 86 CO 0.00 0.40 0.98 -0.08 -0.54 0.00 0.00 175.26 176.02 1wg6 s THR 87 N -1.51 4.44 0.00 -1.70 -1.32 -1.26 0.12 115.64 114.40 1wg6 s THR 87 Ca 0.43 1.29 0.00 0.00 -1.21 0.00 0.00 61.69 62.20 1wg6 s THR 87 Cb -0.17 -3.66 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 1wg6 s THR 87 CO 0.21 -0.54 0.00 0.18 -2.21 0.00 0.00 174.62 172.26 1wg6 n LEU 88 N -1.26 0.96 -0.16 9.08 4.77 -1.26 -4.67 117.00 124.46 1wg6 n LEU 88 Ca 0.07 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 1wg6 n LEU 88 Cb 0.54 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1wg6 n LEU 88 CO 0.43 0.08 0.85 -0.07 -1.33 0.00 0.00 177.39 177.36 1wg6 h LEU 89 N 0.00 -0.17 -2.30 2.23 3.38 -1.80 0.52 115.31 117.17 1wg6 h LEU 89 Ca 0.00 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1wg6 h LEU 89 Cb 0.73 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1wg6 h LEU 89 CO 0.00 -0.05 0.20 1.23 0.09 0.00 0.00 178.44 179.91 1wg6 h GLY 90 N 0.13 0.00 -0.03 0.83 0.00 -1.94 -3.42 103.07 98.65 1wg6 h GLY 90 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1wg6 h GLY 90 CO -0.40 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.43 1wg6 n LYS 91 N -3.52 0.64 -3.22 4.80 5.02 0.18 -5.11 118.16 116.95 1wg6 n LYS 91 Ca 0.00 -0.06 -0.21 0.00 -2.02 0.00 0.00 58.31 56.03 1wg6 n LYS 91 Cb 0.30 -0.01 0.03 0.00 -0.02 0.00 0.00 35.03 35.33 1wg6 n LYS 91 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1wg6 n SER 92 N -3.00 2.27 0.23 4.39 7.64 -1.26 -4.85 113.62 119.04 1wg6 n SER 92 Ca 0.00 -2.55 0.07 0.00 1.01 0.00 0.00 58.87 57.41 1wg6 n SER 92 Cb 0.01 -0.19 0.54 0.00 -1.01 0.00 0.00 64.21 63.57 1wg6 n SER 92 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1wg6 h ASN 93 N 0.37 0.00 0.00 6.43 4.21 -1.91 -0.80 115.58 123.87 1wg6 h ASN 93 Ca -0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.23 1wg6 h ASN 93 Cb 1.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 1wg6 h ASN 93 CO 0.42 0.19 0.00 1.57 -1.29 0.00 0.00 177.43 178.33 1wg6 n HIS 94 N -4.09 0.00 -0.39 1.19 -0.00 -1.26 -3.48 115.22 107.18 1wg6 n HIS 94 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.62 1wg6 n HIS 94 Cb 0.27 -0.37 -0.05 0.00 -0.00 0.00 0.00 29.99 29.83 1wg6 n HIS 94 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1wg6 n GLU 95 N -2.02 -0.36 0.00 1.57 1.02 -1.24 0.13 120.64 119.74 1wg6 n GLU 95 Ca 0.00 1.47 0.00 0.00 -0.02 0.00 0.00 57.16 58.61 1wg6 n GLU 95 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 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 -3.35 -0.05 -0.26 0.62 0.00 -0.31 0.19 120.51 117.36 1wg6 n ALA 96 Ca 0.05 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.73 1wg6 n ALA 96 Cb 0.30 0.37 0.60 0.00 0.00 0.00 0.00 19.45 20.71 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 0.24 0.00 0.00 2.86 -1.29 1.21 114.93 117.94 1wg6 h MET 97 Ca 0.00 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1wg6 h MET 97 Cb 0.00 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1wg6 h MET 97 CO 0.00 0.16 -0.26 1.05 1.06 0.00 0.00 176.91 178.92 1wg6 h GLU 98 N 0.25 0.00 0.12 1.72 4.11 0.51 -2.91 114.58 118.37 1wg6 h GLU 98 Ca 0.51 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.66 1wg6 h GLU 98 Cb 1.56 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.82 1wg6 h GLU 98 CO -0.15 0.26 -1.21 1.15 0.07 0.00 0.00 179.01 179.13 1wg6 h THR 99 N 0.00 1.39 -0.05 -1.06 2.02 1.15 -3.22 112.91 113.14 1wg6 h THR 99 Ca -0.00 -2.72 0.01 0.00 0.77 0.00 0.00 66.41 64.47 1wg6 h THR 99 Cb 0.75 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.91 1wg6 h THR 99 CO 0.03 0.81 -0.20 0.25 0.37 0.00 0.00 175.52 176.79 1wg6 h LEU 100 N 0.17 -0.62 -1.15 2.58 5.85 -1.08 1.06 115.31 122.13 1wg6 h LEU 100 Ca -0.15 0.07 0.29 0.00 0.84 0.00 0.00 57.88 58.93 1wg6 h LEU 100 Cb 1.90 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 43.05 1wg6 h LEU 100 CO 0.22 -0.18 0.64 0.08 -0.34 0.00 0.00 178.44 178.86 1wg6 h ARG 101 N -0.21 0.40 0.68 1.25 0.11 -1.69 0.91 114.38 115.82 1wg6 h ARG 101 Ca 0.01 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.03 1wg6 h ARG 101 Cb 0.25 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.24 1wg6 h ARG 101 CO -0.16 0.26 -0.33 0.00 0.10 0.00 0.00 179.97 179.85 1wg6 h ARG 102 N 0.41 -0.88 0.00 0.08 2.47 -0.92 -0.97 114.38 114.56 1wg6 h ARG 102 Ca 0.67 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.45 1wg6 h ARG 102 Cb 1.56 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 30.08 1wg6 h ARG 102 CO -0.45 -0.59 0.00 0.43 0.56 0.00 0.00 179.97 179.92 1wg6 n SER 103 N -5.13 0.33 0.11 7.04 7.64 0.35 0.28 113.62 124.24 1wg6 n SER 103 Ca -0.11 0.64 -0.24 0.00 1.01 0.00 0.00 58.87 60.17 1wg6 n SER 103 Cb 0.36 -0.69 -0.15 0.00 -1.01 0.00 0.00 64.21 62.72 1wg6 n SER 103 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1wg6 h MET 104 N 0.00 0.47 0.02 1.43 2.86 0.12 -1.65 114.93 118.18 1wg6 h MET 104 Ca 0.00 -0.81 -0.38 0.00 -2.06 0.00 0.00 59.70 56.46 1wg6 h MET 104 Cb 0.06 0.30 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 1wg6 h MET 104 CO 0.00 1.39 -2.36 0.45 1.06 0.00 0.00 176.91 177.45 1wg6 n SER 105 N -3.69 1.63 0.02 1.22 2.88 -0.40 -3.37 113.62 111.90 1wg6 n SER 105 Ca -0.20 -0.04 -0.01 0.00 -1.33 0.00 0.00 58.87 57.29 1wg6 n SER 105 Cb 1.08 -0.24 -0.01 0.00 -0.75 0.00 0.00 64.21 64.30 1wg6 n SER 105 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1wg6 h MET 106 N 0.01 -0.07 0.00 -1.46 -1.53 0.39 0.73 114.93 112.99 1wg6 h MET 106 Ca -0.54 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 55.72 1wg6 h MET 106 Cb 1.98 0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 33.05 1wg6 h MET 106 CO -0.03 -0.05 -0.03 0.93 0.14 0.00 0.00 176.91 177.86 1wg6 h GLU 107 N -0.34 0.00 -0.00 0.39 4.39 -1.48 -0.56 114.58 116.98 1wg6 h GLU 107 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1wg6 h GLU 107 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1wg6 h GLU 107 CO 0.01 0.03 -0.66 0.41 -1.16 0.00 0.00 179.01 177.64 1wg6 n GLY 108 N -0.54 -1.08 0.22 -3.84 0.00 -0.64 -2.28 105.19 97.03 1wg6 n GLY 108 Ca -0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 0.15 0.80 0.11 1.61 2.35 0.84 0.68 115.58 122.13 1wg6 h ASN 109 Ca 0.00 -0.47 -0.36 0.00 -0.55 0.00 0.00 56.30 54.91 1wg6 h ASN 109 Cb 0.51 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 1wg6 h ASN 109 CO 0.00 1.24 -2.22 2.30 -1.65 0.00 0.00 177.43 177.10 1wg6 n ILE 110 N -3.94 1.56 -0.03 2.81 -0.00 -1.21 -4.55 119.36 113.99 1wg6 n ILE 110 Ca -0.05 -0.70 -0.06 0.00 -0.00 0.00 0.00 62.75 61.94 1wg6 n ILE 110 Cb 0.67 -1.20 -0.05 0.00 -0.00 0.00 0.00 39.64 39.06 1wg6 n ILE 110 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1wg6 h ARG 111 N 0.02 -0.05 0.00 6.28 2.47 -1.54 -3.48 114.38 118.07 1wg6 h ARG 111 Ca -0.49 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1wg6 h ARG 111 Cb 2.04 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 1wg6 h ARG 111 CO 0.01 0.32 0.00 0.41 0.56 0.00 0.00 179.97 181.27 1wg6 n GLY 112 N 1.52 1.02 1.52 0.04 0.00 0.24 -5.00 105.19 104.52 1wg6 n GLY 112 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1wg6 n GLY 112 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1wg6 n MET 113 N -1.90 0.46 -3.87 1.61 0.00 -1.25 0.23 117.12 112.40 1wg6 n MET 113 Ca 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 57.70 56.69 1wg6 n MET 113 Cb 0.00 1.12 -0.09 0.00 0.00 0.00 0.00 33.22 34.25 1wg6 n MET 113 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1wg6 s ILE 114 N -2.63 0.09 -0.02 3.17 2.07 0.19 -4.05 121.20 120.02 1wg6 s ILE 114 Ca 0.07 -0.78 0.06 0.00 -1.41 0.00 0.00 60.65 58.59 1wg6 s ILE 114 Cb -0.02 -0.61 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 1wg6 s ILE 114 CO 0.05 -0.43 -0.21 -1.58 -1.91 0.00 0.00 174.94 170.86 1wg6 s GLN 115 N -1.81 2.21 -0.15 3.50 0.74 -1.26 -0.56 119.66 122.33 1wg6 s GLN 115 Ca -0.11 -0.87 0.02 0.00 0.05 0.00 0.00 55.36 54.44 1wg6 s GLN 115 Cb -0.05 -2.17 0.01 0.00 1.10 0.00 0.00 33.01 31.90 1wg6 s GLN 115 CO -0.00 0.58 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.61 1wg6 s LEU 116 N -0.82 2.20 -0.36 3.68 1.43 -0.81 -1.71 118.68 122.29 1wg6 s LEU 116 Ca 0.11 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1wg6 s LEU 116 Cb -0.10 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.68 1wg6 s LEU 116 CO 0.01 0.06 0.16 -0.69 0.23 0.00 0.00 176.35 176.11 1wg6 s VAL 117 N 0.93 4.06 -0.03 -1.59 1.01 -1.22 -2.42 120.40 121.15 1wg6 s VAL 117 Ca -0.04 -1.11 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 1wg6 s VAL 117 Cb -0.15 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1wg6 s VAL 117 CO -0.04 -0.25 0.02 0.27 0.00 0.00 0.00 175.10 175.10 1wg6 s ILE 118 N 1.44 4.33 -0.14 2.22 -5.25 -0.91 -1.80 121.20 121.09 1wg6 s ILE 118 Ca 0.00 -0.44 0.01 0.00 -0.99 0.00 0.00 60.65 59.23 1wg6 s ILE 118 Cb -0.20 -2.90 -0.00 0.00 2.95 0.00 0.00 42.46 42.30 1wg6 s ILE 118 CO 0.04 0.45 -0.17 -0.22 -1.79 0.00 0.00 174.94 173.24 1wg6 s LEU 119 N -1.37 2.42 -0.00 0.37 1.98 -1.25 -1.27 118.68 119.55 1wg6 s LEU 119 Ca 0.18 -0.47 -0.02 0.00 -2.89 0.00 0.00 54.13 50.93 1wg6 s LEU 119 Cb -0.12 -1.54 -0.00 0.00 0.66 0.00 0.00 46.19 45.20 1wg6 s LEU 119 CO 0.08 0.11 0.04 -0.60 -1.89 0.00 0.00 176.35 174.09 1wg6 s ARG 120 N 0.66 0.23 0.87 1.98 3.52 0.12 -4.69 118.95 121.64 1wg6 s ARG 120 Ca -0.09 -0.25 -0.11 0.00 -0.13 0.00 0.00 55.73 55.16 1wg6 s ARG 120 Cb -0.16 0.09 0.12 0.00 -1.56 0.00 0.00 34.95 33.44 1wg6 s ARG 120 CO 0.02 -0.04 1.11 -0.98 -0.81 0.00 0.00 175.30 174.60 1wg6 s ARG 121 N -0.75 1.44 0.01 5.12 1.70 -1.26 -1.65 118.95 123.55 1wg6 s ARG 121 Ca -0.08 1.24 -0.04 0.00 -0.47 0.00 0.00 55.73 56.38 1wg6 s ARG 121 Cb -0.05 -1.80 -0.01 0.00 -0.57 0.00 0.00 34.95 32.52 1wg6 s ARG 121 CO -0.00 -2.24 1.06 0.66 -1.08 0.00 0.00 175.30 173.70 1wg6 h SER 122 N -1.57 -0.19 0.00 -2.89 4.64 -1.94 -3.45 113.55 108.16 1wg6 h SER 122 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1wg6 h SER 122 Cb 1.26 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1wg6 h SER 122 CO 0.48 -0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 1wg6 n GLY 123 N -1.04 -0.40 0.00 -0.77 0.00 -1.26 -5.01 105.19 96.70 1wg6 n GLY 123 Ca -0.01 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 0.75 -4.66 1.61 -0.04 -1.26 -4.76 135.00 126.64 1wg6 n PRO 124 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 1wg6 n PRO 124 Cb 0.00 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 1wg6 n PRO 124 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wg6 s SER 125 N -1.78 3.65 0.08 3.54 0.01 -1.26 -5.16 113.70 112.78 1wg6 s SER 125 Ca 0.25 -1.58 0.07 0.00 1.31 0.00 0.00 55.95 56.01 1wg6 s SER 125 Cb 0.12 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.59 1wg6 s SER 125 CO 0.20 -0.77 -0.20 -0.94 0.41 0.00 0.00 173.24 171.94 1wg6 s SER 126 N -3.75 2.36 0.00 2.44 1.04 -1.26 -5.19 113.70 109.33 1wg6 s SER 126 Ca 0.18 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1wg6 s SER 126 Cb 0.04 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1wg6 s SER 126 CO 0.09 0.06 0.49 0.61 0.98 0.00 0.00 173.24 175.48