#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 -1.65 -1.31 1.61 2.88 -1.26 -5.17 113.62 108.72 1wg6 n SER 2 Ca 0.00 0.61 0.16 0.00 -1.33 0.00 0.00 58.87 58.31 1wg6 n SER 2 Cb 0.00 1.68 -0.09 0.00 -0.75 0.00 0.00 64.21 65.06 1wg6 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wg6 n SER 3 N -3.39 -7.15 0.00 -3.46 2.88 -1.26 -5.07 113.62 96.17 1wg6 n SER 3 Ca 0.00 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.86 1wg6 n SER 3 Cb 0.00 -4.51 0.00 0.00 -0.75 0.00 0.00 64.21 58.95 1wg6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wg6 n GLY 4 N -4.13 2.08 3.63 0.46 0.00 -1.26 -5.19 105.19 100.78 1wg6 n GLY 4 Ca -0.09 0.37 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 -0.06 -0.22 1.61 1.04 -1.26 -5.19 113.70 109.63 1wg6 s SER 5 Ca 0.00 0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.15 1wg6 s SER 5 Cb 0.00 0.06 0.16 0.00 0.10 0.00 0.00 66.02 66.33 1wg6 s SER 5 CO 0.00 -0.08 1.18 -0.55 0.98 0.00 0.00 173.24 174.77 1wg6 s SER 6 N -1.70 -0.20 0.00 7.02 0.15 -1.26 -5.18 113.70 112.54 1wg6 s SER 6 Ca 0.10 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1wg6 s SER 6 Cb -0.01 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1wg6 s SER 6 CO -0.05 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1wg6 n GLY 7 N 0.52 4.61 0.00 9.45 0.00 -1.26 -5.18 105.19 113.34 1wg6 n GLY 7 Ca -0.05 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1wg6 n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wg6 n LEU 8 N 0.00 0.00 -4.63 0.99 0.00 -1.26 -5.18 117.00 106.92 1wg6 n LEU 8 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.72 1wg6 n LEU 8 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.33 1wg6 n LEU 8 CO 0.00 0.00 -0.24 -1.59 0.00 0.00 0.00 177.39 175.56 1wg6 s LYS 9 N 3.18 2.02 0.00 1.96 0.00 -1.26 -5.12 119.74 120.52 1wg6 s LYS 9 Ca 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 55.97 53.73 1wg6 s LYS 9 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 37.83 36.64 1wg6 s LYS 9 CO 0.00 -0.34 0.00 0.41 0.00 0.00 0.00 175.35 175.42 1wg6 n GLY 10 N -1.05 3.40 3.16 0.59 0.00 -1.26 -5.15 105.19 104.88 1wg6 n GLY 10 Ca -0.11 -1.59 0.05 0.00 0.00 0.00 0.00 46.02 44.36 1wg6 n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wg6 s GLU 11 N -4.71 0.03 -1.11 1.61 2.02 -1.26 -5.06 118.70 110.21 1wg6 s GLU 11 Ca 0.00 0.06 -0.17 0.00 0.02 0.00 0.00 54.97 54.88 1wg6 s GLU 11 Cb 0.00 0.03 -0.07 0.00 0.10 0.00 0.00 34.13 34.20 1wg6 s GLU 11 CO 0.00 -0.03 2.13 -0.35 0.02 0.00 0.00 175.26 177.04 1wg6 n PRO 12 N 5.22 2.24 -1.84 0.39 -0.04 -1.26 -4.88 135.00 134.83 1wg6 n PRO 12 Ca -0.09 -2.13 -0.30 0.00 -0.04 0.00 0.00 63.50 60.94 1wg6 n PRO 12 Cb 0.55 -3.02 -0.04 0.00 -0.04 0.00 0.00 33.50 30.95 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 3.95 4.77 -0.24 3.54 1.01 -1.26 -4.85 116.67 123.60 1wg6 s ASP 13 Ca 0.53 0.21 -0.08 0.00 0.71 0.00 0.00 52.55 53.92 1wg6 s ASP 13 Cb 0.14 -2.53 0.10 0.00 1.01 0.00 0.00 42.92 41.64 1wg6 s ASP 13 CO 0.01 -2.88 0.51 0.00 0.21 0.00 0.00 175.17 173.03 1wg6 s TYR 15 N 2.66 0.38 -0.28 0.00 -0.85 -1.26 -5.17 117.35 112.84 1wg6 s TYR 15 Ca -0.04 -0.77 -0.22 0.00 -0.52 0.00 0.00 57.07 55.52 1wg6 s TYR 15 Cb -0.12 -0.12 0.09 0.00 0.38 0.00 0.00 41.96 42.19 1wg6 s TYR 15 CO -0.15 -0.62 0.80 0.00 -1.52 0.00 0.00 175.55 174.06 1wg6 s ALA 16 N -3.94 -1.88 0.00 9.51 0.00 -1.26 -5.12 121.76 119.07 1wg6 s ALA 16 Ca 0.13 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.20 1wg6 s ALA 16 Cb 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1wg6 s ALA 16 CO -0.04 -0.33 0.00 1.47 0.00 0.00 0.00 175.76 176.86 1wg6 n LEU 17 N 3.06 0.00 -2.30 0.00 -0.00 -1.26 -5.08 117.00 111.42 1wg6 n LEU 17 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1wg6 n LEU 17 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1wg6 n LEU 17 CO 0.02 0.00 -0.48 -0.24 -0.00 0.00 0.00 177.39 176.69 1wg6 n SER 18 N -0.12 -9.36 -0.44 1.45 2.88 -1.26 -4.66 113.62 102.12 1wg6 n SER 18 Ca 0.00 1.81 0.02 0.00 -1.33 0.00 0.00 58.87 59.37 1wg6 n SER 18 Cb 0.00 -5.08 -0.01 0.00 -0.75 0.00 0.00 64.21 58.37 1wg6 n SER 18 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wg6 n LEU 19 N 1.77 0.00 -4.62 2.46 4.77 -1.26 -4.27 117.00 115.85 1wg6 n LEU 19 Ca 0.00 0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.74 1wg6 n LEU 19 Cb 0.00 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.45 1wg6 n LEU 19 CO 0.00 -0.75 1.20 -1.83 -1.33 0.00 0.00 177.39 174.68 1wg6 s GLU 20 N -0.45 3.74 -0.38 3.23 -1.05 -1.26 -4.96 118.70 117.58 1wg6 s GLU 20 Ca 0.00 1.14 0.01 0.00 -0.15 0.00 0.00 54.97 55.97 1wg6 s GLU 20 Cb 0.00 -3.96 0.12 0.00 -0.44 0.00 0.00 34.13 29.85 1wg6 s GLU 20 CO 0.00 -1.34 0.17 -1.54 0.95 0.00 0.00 175.26 173.49 1wg6 s SER 21 N 3.45 3.86 0.11 0.83 1.04 -1.26 -5.10 113.70 116.63 1wg6 s SER 21 Ca 0.60 -2.18 -0.03 0.00 0.48 0.00 0.00 55.95 54.82 1wg6 s SER 21 Cb -0.16 -0.99 -0.03 0.00 0.10 0.00 0.00 66.02 64.94 1wg6 s SER 21 CO 0.28 -0.34 0.08 -0.44 0.98 0.00 0.00 173.24 173.80 1wg6 s SER 22 N 0.92 0.30 -0.10 7.02 0.01 -1.26 -5.00 113.70 115.60 1wg6 s SER 22 Ca 0.14 -1.05 -0.14 0.00 1.31 0.00 0.00 55.95 56.21 1wg6 s SER 22 Cb -0.21 0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.26 1wg6 s SER 22 CO -0.10 -0.72 0.34 -1.61 0.41 0.00 0.00 173.24 171.56 1wg6 s GLU 23 N -3.98 4.05 -0.05 12.44 0.41 -1.18 -5.04 118.70 125.35 1wg6 s GLU 23 Ca 0.17 0.22 -0.03 0.00 -0.41 0.00 0.00 54.97 54.91 1wg6 s GLU 23 Cb 0.07 -3.33 0.02 0.00 -1.78 0.00 0.00 34.13 29.11 1wg6 s GLU 23 CO -0.03 0.45 0.12 -1.14 -0.49 0.00 0.00 175.26 174.17 1wg6 s GLN 24 N -0.21 0.11 0.15 1.61 -0.44 -1.26 -1.25 119.66 118.36 1wg6 s GLN 24 Ca 0.20 0.22 0.08 0.00 -2.50 0.00 0.00 55.36 53.36 1wg6 s GLN 24 Cb -0.14 -0.03 -0.04 0.00 -1.64 0.00 0.00 33.01 31.16 1wg6 s GLN 24 CO 0.08 -0.07 -0.09 -0.51 0.50 0.00 0.00 175.29 175.20 1wg6 s LEU 25 N 0.45 3.03 -0.21 3.68 1.43 -1.10 -4.99 118.68 120.97 1wg6 s LEU 25 Ca -0.03 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1wg6 s LEU 25 Cb -0.05 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.46 1wg6 s LEU 25 CO -0.02 0.13 -0.09 -0.89 0.23 0.00 0.00 176.35 175.72 1wg6 s THR 26 N -1.50 1.64 -0.23 5.49 2.01 -1.26 -2.66 115.64 119.14 1wg6 s THR 26 Ca 0.24 -1.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 1wg6 s THR 26 Cb -0.10 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.65 1wg6 s THR 26 CO 0.15 0.06 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.28 1wg6 s LEU 27 N 1.37 2.91 0.06 4.42 2.01 -1.10 -5.00 118.68 123.35 1wg6 s LEU 27 Ca -0.03 -0.83 -0.09 0.00 0.01 0.00 0.00 54.13 53.19 1wg6 s LEU 27 Cb -0.17 -1.61 -0.06 0.00 0.01 0.00 0.00 46.19 44.36 1wg6 s LEU 27 CO -0.07 -0.09 0.37 -1.61 1.01 0.00 0.00 176.35 175.96 1wg6 s GLU 28 N 1.31 3.72 -0.07 1.70 2.02 -1.26 -2.00 118.70 124.12 1wg6 s GLU 28 Ca 0.01 0.12 -0.01 0.00 0.02 0.00 0.00 54.97 55.11 1wg6 s GLU 28 Cb -0.16 -3.03 0.03 0.00 0.10 0.00 0.00 34.13 31.07 1wg6 s GLU 28 CO -0.07 0.59 -0.01 0.42 0.02 0.00 0.00 175.26 176.21 1wg6 s ILE 29 N -1.36 0.42 0.37 -1.63 1.01 0.74 -4.91 121.20 115.84 1wg6 s ILE 29 Ca 0.31 0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.79 1wg6 s ILE 29 Cb -0.14 -0.55 -0.09 0.00 0.01 0.00 0.00 42.46 41.69 1wg6 s ILE 29 CO 0.17 0.26 1.06 -2.16 0.00 0.00 0.00 174.94 174.27 1wg6 s PRO 30 N 1.82 4.26 -0.43 2.79 0.04 -1.26 0.11 135.00 142.33 1wg6 s PRO 30 Ca 0.03 1.58 0.09 0.00 0.04 0.00 0.00 61.00 62.74 1wg6 s PRO 30 Cb -0.13 -2.68 0.41 0.00 0.04 0.00 0.00 34.50 32.14 1wg6 s PRO 30 CO -0.05 -0.07 0.99 1.28 0.04 0.00 0.00 177.00 179.19 1wg6 n LEU 31 N 0.20 3.30 -0.06 -3.56 4.77 0.15 -4.67 117.00 117.14 1wg6 n LEU 31 Ca 0.04 -4.88 -0.04 0.00 -0.03 0.00 0.00 56.01 51.10 1wg6 n LEU 31 Cb 0.48 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1wg6 n LEU 31 CO 0.47 2.09 -0.27 0.78 -1.33 0.00 0.00 177.39 179.13 1wg6 h ASN 32 N 2.82 0.00 0.09 -1.43 2.35 -1.92 -3.16 115.58 114.33 1wg6 h ASN 32 Ca 0.13 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.60 1wg6 h ASN 32 Cb 0.91 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 1wg6 h ASN 32 CO 0.71 0.60 -1.49 -0.78 -1.65 0.00 0.00 177.43 174.81 1wg6 h ASP 33 N -0.80 0.28 1.22 5.81 3.58 -1.94 -3.35 116.42 121.22 1wg6 h ASP 33 Ca 0.00 -0.79 -0.05 0.00 0.42 0.00 0.00 57.03 56.61 1wg6 h ASP 33 Cb 0.40 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1wg6 h ASP 33 CO 0.00 1.64 -0.24 0.28 -2.88 0.00 0.00 179.24 178.04 1wg6 h SER 34 N -0.40 0.00 -0.97 2.28 0.02 -1.85 -3.14 113.55 109.49 1wg6 h SER 34 Ca -0.34 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 60.79 1wg6 h SER 34 Cb 1.70 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 64.15 1wg6 h SER 34 CO -0.00 0.24 0.61 1.23 -1.14 0.00 0.00 176.83 177.77 1wg6 h GLY 35 N 2.68 1.47 -0.95 -3.77 0.00 -1.68 0.64 103.07 101.47 1wg6 h GLY 35 Ca -0.00 -0.31 0.18 0.00 0.00 0.00 0.00 47.33 47.19 1wg6 h GLY 35 CO 0.03 -0.01 -0.28 1.44 0.00 0.00 0.00 176.54 177.72 1wg6 n SER 36 N -4.66 -0.43 -0.05 0.19 7.64 -1.19 -1.11 113.62 114.02 1wg6 n SER 36 Ca 0.21 1.65 -0.16 0.00 1.01 0.00 0.00 58.87 61.58 1wg6 n SER 36 Cb 0.58 -0.46 -0.14 0.00 -1.01 0.00 0.00 64.21 63.18 1wg6 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wg6 n ALA 37 N -3.60 1.26 0.00 -0.43 0.00 -0.56 -5.10 120.51 112.07 1wg6 n ALA 37 Ca 0.14 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1wg6 n ALA 37 Cb 0.45 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 1.92 0.76 0.06 0.00 0.00 0.21 -4.86 105.19 103.27 1wg6 n GLY 38 Ca -0.32 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.28 -0.03 0.99 3.38 -1.87 -3.40 115.31 114.10 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 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1wg6 n GLY 40 N -1.03 1.22 3.22 0.83 0.00 -1.26 -4.06 105.19 104.11 1wg6 n GLY 40 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.03 1.35 -0.09 1.61 -7.23 -1.26 -4.26 120.40 108.49 1wg6 s VAL 41 Ca 0.00 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1wg6 s VAL 41 Cb 0.00 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 1wg6 s VAL 41 CO 0.00 -0.23 -0.08 -0.55 -0.31 0.00 0.00 175.10 173.93 1wg6 s SER 42 N -1.99 4.53 0.33 4.85 0.15 -1.24 -5.06 113.70 115.27 1wg6 s SER 42 Ca 0.03 -0.09 0.09 0.00 0.70 0.00 0.00 55.95 56.68 1wg6 s SER 42 Cb -0.09 -1.29 -0.05 0.00 -1.71 0.00 0.00 66.02 62.88 1wg6 s SER 42 CO 0.03 0.31 0.01 -0.76 1.20 0.00 0.00 173.24 174.02 1wg6 s LEU 43 N -0.47 3.00 -0.04 3.45 1.43 -1.26 -0.60 118.68 124.18 1wg6 s LEU 43 Ca 0.07 -0.95 0.05 0.00 -1.03 0.00 0.00 54.13 52.26 1wg6 s LEU 43 Cb -0.12 -1.39 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1wg6 s LEU 43 CO 0.02 -0.21 -0.18 -1.59 0.23 0.00 0.00 176.35 174.62 1wg6 s LYS 44 N -3.71 1.77 -0.18 1.70 -2.85 0.31 -4.67 119.74 112.11 1wg6 s LYS 44 Ca 0.34 -0.65 -0.17 0.00 -1.00 0.00 0.00 55.97 54.49 1wg6 s LYS 44 Cb -0.01 -1.58 -0.04 0.00 -2.06 0.00 0.00 37.83 34.14 1wg6 s LYS 44 CO 0.19 0.30 0.47 0.20 0.10 0.00 0.00 175.35 176.61 1wg6 s GLY 45 N -0.12 2.14 -0.29 0.59 0.00 -1.26 -1.33 107.32 107.05 1wg6 s GLY 45 Ca -0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 44.72 44.25 1wg6 s GLY 45 CO 0.01 0.92 0.07 -1.31 0.00 0.00 0.00 173.10 172.80 1wg6 s ASN 46 N 1.00 5.09 -0.01 1.64 -0.87 -1.04 -5.02 114.94 115.73 1wg6 s ASN 46 Ca 0.23 -0.66 0.04 0.00 -1.57 0.00 0.00 52.86 50.89 1wg6 s ASN 46 Cb -0.15 -1.88 -0.03 0.00 -0.02 0.00 0.00 41.25 39.17 1wg6 s ASN 46 CO 0.09 -0.17 -0.12 -0.75 -2.57 0.00 0.00 177.10 173.58 1wg6 s LYS 47 N 1.51 2.45 -0.09 -0.60 2.36 -1.26 -1.02 119.74 123.08 1wg6 s LYS 47 Ca 0.03 -0.75 -0.12 0.00 -2.55 0.00 0.00 55.97 52.57 1wg6 s LYS 47 Cb -0.17 -2.40 -0.05 0.00 -1.05 0.00 0.00 37.83 34.16 1wg6 s LYS 47 CO 0.02 0.60 0.30 -1.12 1.55 0.00 0.00 175.35 176.70 1wg6 s SER 48 N -1.14 6.56 0.13 1.43 0.01 -0.49 -4.85 113.70 115.34 1wg6 s SER 48 Ca 0.14 0.67 0.21 0.00 1.31 0.00 0.00 55.95 58.28 1wg6 s SER 48 Cb -0.11 -2.18 -0.08 0.00 0.21 0.00 0.00 66.02 63.87 1wg6 s SER 48 CO 0.04 0.26 0.91 -1.14 0.41 0.00 0.00 173.24 173.72 1wg6 n ARG 49 N 2.53 0.62 -0.21 12.44 0.63 -1.26 -1.19 116.66 130.21 1wg6 n ARG 49 Ca -0.15 0.12 0.01 0.00 -0.92 0.00 0.00 57.85 56.91 1wg6 n ARG 49 Cb 0.53 -1.79 0.10 0.00 0.45 0.00 0.00 32.46 31.75 1wg6 n ARG 49 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1wg6 h GLU 50 N 0.00 0.09 0.00 -0.14 4.22 -1.96 -3.27 114.58 113.52 1wg6 h GLU 50 Ca -0.05 -0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.31 1wg6 h GLU 50 Cb 1.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1wg6 h GLU 50 CO 0.01 0.06 -1.25 0.25 -2.18 0.00 0.00 179.01 175.90 1wg6 n THR 51 N -5.31 0.25 0.00 0.32 -2.24 -1.26 -5.03 114.28 101.01 1wg6 n THR 51 Ca 0.09 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1wg6 n THR 51 Cb 0.36 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 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 2.85 1.09 2.94 3.38 0.00 -0.34 -5.11 105.19 110.02 1wg6 n GLY 52 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1wg6 n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wg6 n THR 53 N -1.80 0.00 -3.76 2.61 -2.24 -1.10 -4.85 114.28 103.13 1wg6 n THR 53 Ca 0.00 -1.12 -0.37 0.00 -2.27 0.00 0.00 64.05 60.29 1wg6 n THR 53 Cb 0.00 -1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 66.99 1wg6 n THR 53 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1wg6 s ASP 54 N -4.19 5.28 0.46 3.42 1.47 -1.26 -1.40 116.67 120.44 1wg6 s ASP 54 Ca 0.51 -1.37 0.21 0.00 1.18 0.00 0.00 52.55 53.09 1wg6 s ASP 54 Cb -0.03 -1.85 1.20 0.00 -0.34 0.00 0.00 42.92 41.90 1wg6 s ASP 54 CO 0.34 -0.38 1.90 -0.07 0.68 0.00 0.00 175.17 177.64 1wg6 h LEU 55 N 8.18 0.26 0.00 2.11 3.38 -1.41 -3.48 115.31 124.36 1wg6 h LEU 55 Ca -0.21 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1wg6 h LEU 55 Cb 1.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1wg6 h LEU 55 CO 0.63 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1wg6 n GLY 56 N -1.58 0.81 3.94 0.83 0.00 -1.14 -5.00 105.19 103.05 1wg6 n GLY 56 Ca 0.16 -2.03 -0.21 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.83 5.05 -0.27 -0.61 -1.09 -1.26 -2.48 121.20 118.70 1wg6 s ILE 57 Ca 0.00 -1.08 -0.13 0.00 -2.23 0.00 0.00 60.65 57.21 1wg6 s ILE 57 Cb 0.00 -3.75 0.10 0.00 -1.58 0.00 0.00 42.46 37.23 1wg6 s ILE 57 CO 0.00 -0.33 0.64 -0.36 -1.23 0.00 0.00 174.94 173.66 1wg6 s PHE 58 N -2.02 -1.11 0.45 3.97 0.40 -0.44 -2.98 117.98 116.25 1wg6 s PHE 58 Ca 0.34 2.10 -0.22 0.00 -0.60 0.00 0.00 56.93 58.55 1wg6 s PHE 58 Cb -0.09 0.64 -0.12 0.00 0.51 0.00 0.00 43.02 43.97 1wg6 s PHE 58 CO 0.28 -0.56 0.57 -0.89 0.70 0.00 0.00 175.22 175.32 1wg6 n ILE 59 N 4.76 1.89 -0.12 0.64 5.41 -1.20 0.11 119.36 130.85 1wg6 n ILE 59 Ca -0.17 -0.50 -0.25 0.00 1.00 0.00 0.00 62.75 62.83 1wg6 n ILE 59 Cb 0.55 -0.61 -0.09 0.00 -0.71 0.00 0.00 39.64 38.78 1wg6 n ILE 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1wg6 n LYS 60 N 0.45 0.51 -3.62 0.38 4.81 0.23 0.57 118.16 121.48 1wg6 n LYS 60 Ca 0.11 0.22 -0.05 0.00 -0.87 0.00 0.00 58.31 57.72 1wg6 n LYS 60 Cb 0.41 -1.35 -0.04 0.00 0.02 0.00 0.00 35.03 34.07 1wg6 n LYS 60 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1wg6 s SER 61 N -7.10 -0.15 -0.03 3.14 0.01 -1.12 -4.60 113.70 103.85 1wg6 s SER 61 Ca -0.33 0.16 -0.16 0.00 1.31 0.00 0.00 55.95 56.93 1wg6 s SER 61 Cb 0.13 0.12 -0.05 0.00 0.21 0.00 0.00 66.02 66.43 1wg6 s SER 61 CO 0.42 -0.14 0.43 -0.63 0.41 0.00 0.00 173.24 173.73 1wg6 s ILE 62 N -1.10 5.05 -0.46 1.44 1.09 -1.26 -3.63 121.20 122.34 1wg6 s ILE 62 Ca 0.05 0.88 -0.21 0.00 -1.10 0.00 0.00 60.65 60.28 1wg6 s ILE 62 Cb -0.01 -3.75 0.03 0.00 -1.06 0.00 0.00 42.46 37.68 1wg6 s ILE 62 CO -0.05 0.51 0.66 -0.63 -0.10 0.00 0.00 174.94 175.33 1wg6 s ILE 63 N -0.61 4.80 1.01 2.92 1.09 -1.26 -4.97 121.20 124.19 1wg6 s ILE 63 Ca 0.24 -0.01 -0.12 0.00 -1.10 0.00 0.00 60.65 59.67 1wg6 s ILE 63 Cb -0.16 -4.25 0.20 0.00 -1.06 0.00 0.00 42.46 37.18 1wg6 s ILE 63 CO 0.13 -0.68 1.08 -1.00 -0.10 0.00 0.00 174.94 174.36 1wg6 s HIS 64 N 2.86 1.82 -1.23 3.97 3.76 -1.26 -3.14 115.29 122.07 1wg6 s HIS 64 Ca 0.21 1.28 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 1wg6 s HIS 64 Cb -0.15 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.36 1wg6 s HIS 64 CO 0.17 -3.08 0.00 0.41 -0.85 0.00 0.00 174.74 171.40 1wg6 n GLY 65 N -0.21 1.19 0.00 -2.22 0.00 -1.26 -4.91 105.19 97.77 1wg6 n GLY 65 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.57 6.45 0.12 -0.02 0.00 -1.19 -5.04 105.19 104.94 1wg6 n GLY 66 Ca -0.12 -1.87 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 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 0.26 -0.38 4.61 0.00 -1.81 -3.35 119.26 119.60 1wg6 h ALA 67 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 54.91 53.72 1wg6 h ALA 67 Cb 0.00 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wg6 h ALA 67 CO 0.00 0.87 0.20 0.00 0.00 0.00 0.00 179.25 180.32 1wg6 h ALA 68 N -0.17 1.65 -0.91 0.00 0.00 -1.81 -2.51 119.26 115.50 1wg6 h ALA 68 Ca -0.34 -0.06 0.33 0.00 0.00 0.00 0.00 54.91 54.84 1wg6 h ALA 68 Cb 1.64 -0.16 -0.17 0.00 0.00 0.00 0.00 17.79 19.11 1wg6 h ALA 68 CO -0.03 0.30 0.29 0.34 0.00 0.00 0.00 179.25 180.15 1wg6 n PHE 69 N -4.43 0.86 -0.08 0.00 7.35 -1.23 0.20 117.46 120.13 1wg6 n PHE 69 Ca 0.02 1.09 -0.07 0.00 -0.76 0.00 0.00 57.45 57.74 1wg6 n PHE 69 Cb 0.10 -1.36 -0.00 0.00 0.35 0.00 0.00 39.48 38.57 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 0.04 0.00 -4.13 1.57 -1.66 0.11 116.57 112.50 1wg6 h LYS 70 Ca 0.68 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 1wg6 h LYS 70 Cb 1.67 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1wg6 h LYS 70 CO -0.77 0.03 -0.09 -3.47 -0.57 0.00 0.00 179.45 174.58 1wg6 n ASP 71 N -5.21 0.50 -0.52 0.86 2.03 0.52 -3.85 116.55 110.88 1wg6 n ASP 71 Ca -0.00 0.46 0.43 0.00 0.52 0.00 0.00 54.79 56.19 1wg6 n ASP 71 Cb 0.16 -0.54 0.66 0.00 -0.72 0.00 0.00 41.12 40.68 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 1.39 -0.86 0.51 0.27 0.00 0.44 -0.32 105.19 106.63 1wg6 n GLY 72 Ca 0.06 0.55 0.40 0.00 0.00 0.00 0.00 46.02 47.03 1wg6 n GLY 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wg6 n ARG 73 N -3.58 -0.01 -0.15 1.61 0.63 -1.25 -4.26 116.66 109.65 1wg6 n ARG 73 Ca 0.36 0.96 -0.08 0.00 -0.92 0.00 0.00 57.85 58.16 1wg6 n ARG 73 Cb 1.75 -2.07 0.07 0.00 0.45 0.00 0.00 32.46 32.66 1wg6 n ARG 73 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1wg6 n LEU 74 N -3.90 0.00 -3.79 6.15 4.77 0.57 -5.06 117.00 115.73 1wg6 n LEU 74 Ca 0.36 -0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 1wg6 n LEU 74 Cb 1.53 -0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 42.20 1wg6 n LEU 74 CO 0.28 -1.63 -0.34 0.00 -1.33 0.00 0.00 177.39 174.37 1wg6 s ARG 75 N -3.59 -0.02 0.90 3.23 1.04 -1.26 -5.01 118.95 114.23 1wg6 s ARG 75 Ca 0.18 0.15 -0.16 0.00 -1.04 0.00 0.00 55.73 54.86 1wg6 s ARG 75 Cb -0.03 -0.18 -0.14 0.00 -2.04 0.00 0.00 34.95 32.56 1wg6 s ARG 75 CO 0.15 -0.13 -0.70 0.00 -0.04 0.00 0.00 175.30 174.58 1wg6 n MET 76 N 3.90 0.00 -2.23 3.89 -0.00 -1.26 -3.98 117.12 117.45 1wg6 n MET 76 Ca -0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.44 1wg6 n MET 76 Cb 0.53 -0.94 0.01 0.00 -0.00 0.00 0.00 33.22 32.81 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 3.21 -2.06 -4.12 3.17 3.02 0.19 -4.91 115.26 113.77 1wg6 n ASN 77 Ca -0.01 -0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.10 1wg6 n ASN 77 Cb 0.52 -1.10 -0.11 0.00 -0.61 0.00 0.00 39.78 38.49 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 -3.16 5.28 0.11 6.41 1.11 -1.26 -4.80 116.67 120.37 1wg6 s ASP 78 Ca 0.01 -2.28 -0.35 0.00 0.18 0.00 0.00 52.55 50.10 1wg6 s ASP 78 Cb -0.00 -1.85 -0.15 0.00 1.07 0.00 0.00 42.92 41.99 1wg6 s ASP 78 CO 0.09 -0.50 1.52 1.67 1.18 0.00 0.00 175.17 179.13 1wg6 n GLN 79 N 4.27 1.78 -3.10 8.23 7.27 -1.26 -3.25 117.38 131.31 1wg6 n GLN 79 Ca 0.01 0.64 -0.45 0.00 0.07 0.00 0.00 57.00 57.27 1wg6 n GLN 79 Cb 0.40 -2.37 -0.02 0.00 2.41 0.00 0.00 30.24 30.66 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 1.01 5.76 0.08 1.69 1.02 -1.16 -3.55 118.68 123.53 1wg6 s LEU 80 Ca 0.82 -2.46 0.13 0.00 0.02 0.00 0.00 54.13 52.64 1wg6 s LEU 80 Cb -0.79 -2.32 0.59 0.00 0.02 0.00 0.00 46.19 43.70 1wg6 s LEU 80 CO 0.42 -0.81 1.42 2.30 0.02 0.00 0.00 176.35 179.70 1wg6 n ILE 81 N 4.69 1.22 -1.36 -0.59 -5.35 -0.62 -4.12 119.36 113.23 1wg6 n ILE 81 Ca 0.21 0.36 0.00 0.00 -0.27 0.00 0.00 62.75 63.05 1wg6 n ILE 81 Cb 0.47 -1.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.14 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 -1.58 0.00 -3.53 -1.28 0.00 -1.25 -3.72 120.51 109.15 1wg6 n ALA 82 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1wg6 n ALA 82 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.43 -0.72 -1.90 0.00 0.11 0.38 -2.95 120.40 112.89 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 0.59 -3.33 0.00 0.00 175.10 172.36 1wg6 n ASN 84 N 5.16 -5.39 0.00 3.54 4.13 -1.04 0.67 115.26 122.33 1wg6 n ASN 84 Ca -0.11 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1wg6 n ASN 84 Cb 0.51 -4.65 0.00 0.00 -1.54 0.00 0.00 39.78 34.10 1wg6 n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wg6 n GLY 85 N -0.65 0.98 3.66 7.41 0.00 -1.26 -5.01 105.19 110.32 1wg6 n GLY 85 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.65 4.22 1.09 1.61 2.56 0.21 -5.05 118.70 122.69 1wg6 s GLU 86 Ca 0.00 0.64 -0.12 0.00 0.00 0.00 0.00 54.97 55.50 1wg6 s GLU 86 Cb 0.00 -3.57 0.24 0.00 2.00 0.00 0.00 34.13 32.80 1wg6 s GLU 86 CO 0.00 -0.23 1.06 -0.08 -0.56 0.00 0.00 175.26 175.45 1wg6 s THR 87 N 1.89 2.06 0.00 -1.70 -1.32 -1.26 0.15 115.64 115.45 1wg6 s THR 87 Ca 0.29 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 1wg6 s THR 87 Cb -0.16 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 1wg6 s THR 87 CO 0.11 -0.03 0.00 0.18 -2.21 0.00 0.00 174.62 172.67 1wg6 n LEU 88 N -4.70 0.00 -0.32 9.08 4.77 -1.24 -4.67 117.00 119.91 1wg6 n LEU 88 Ca 0.06 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.24 1wg6 n LEU 88 Cb 0.54 0.02 0.48 0.00 -2.33 0.00 0.00 43.42 42.13 1wg6 n LEU 88 CO 0.55 -0.31 1.21 -0.07 -1.33 0.00 0.00 177.39 177.44 1wg6 h LEU 89 N 0.00 0.50 -1.72 2.23 3.38 -1.76 1.32 115.31 119.26 1wg6 h LEU 89 Ca 0.00 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1wg6 h LEU 89 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1wg6 h LEU 89 CO 0.00 0.12 -0.17 1.23 0.09 0.00 0.00 178.44 179.70 1wg6 h GLY 90 N 0.45 0.00 -0.10 0.83 0.00 -1.92 -3.43 103.07 98.90 1wg6 h GLY 90 Ca 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.88 1wg6 h GLY 90 CO -0.31 0.00 0.01 0.28 0.00 0.00 0.00 176.54 176.53 1wg6 n LYS 91 N -3.81 0.45 -1.10 4.80 5.02 0.45 -5.11 118.16 118.86 1wg6 n LYS 91 Ca -0.02 -0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 1wg6 n LYS 91 Cb 0.28 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 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 -3.01 0.22 0.16 4.39 2.88 -1.26 -4.85 113.62 112.15 1wg6 n SER 92 Ca 0.01 -0.99 0.02 0.00 -1.33 0.00 0.00 58.87 56.58 1wg6 n SER 92 Cb 0.05 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.00 0.00 -3.46 2.35 -1.93 -2.49 115.58 110.05 1wg6 h ASN 93 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wg6 h ASN 93 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1wg6 h ASN 93 CO 0.00 0.51 -0.05 1.12 -1.65 0.00 0.00 177.43 177.37 1wg6 h HIS 94 N 0.00 0.00 -0.68 1.19 2.07 -1.98 -3.27 115.15 112.48 1wg6 h HIS 94 Ca -0.01 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.58 1wg6 h HIS 94 Cb 1.04 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.94 1wg6 h HIS 94 CO 0.00 0.00 -0.40 0.39 -3.07 0.00 0.00 177.93 174.85 1wg6 n GLU 95 N -2.62 -0.30 -0.02 5.12 1.02 -1.26 0.42 120.64 123.01 1wg6 n GLU 95 Ca -0.01 1.33 -0.00 0.00 -0.02 0.00 0.00 57.16 58.46 1wg6 n GLU 95 Cb 0.02 -1.96 -0.00 0.00 -0.02 0.00 0.00 31.44 29.48 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 -3.18 -0.02 -0.31 0.62 0.00 -0.94 0.16 120.51 116.84 1wg6 n ALA 96 Ca 0.01 0.03 0.32 0.00 0.00 0.00 0.00 53.44 53.81 1wg6 n ALA 96 Cb 0.18 0.47 0.71 0.00 0.00 0.00 0.00 19.45 20.80 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 0.07 0.00 0.00 2.86 -1.29 1.51 114.93 118.08 1wg6 h MET 97 Ca 0.01 -0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1wg6 h MET 97 Cb 0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1wg6 h MET 97 CO -0.04 0.04 -0.42 1.05 1.06 0.00 0.00 176.91 178.61 1wg6 h GLU 98 N 0.07 0.00 -0.01 1.72 -0.00 0.66 -3.03 114.58 114.00 1wg6 h GLU 98 Ca 0.56 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.83 1wg6 h GLU 98 Cb 2.08 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.84 1wg6 h GLU 98 CO -0.06 0.42 -0.34 1.15 -0.00 0.00 0.00 179.01 180.18 1wg6 h THR 99 N 0.00 1.50 -0.04 -1.06 2.02 0.62 -2.99 112.91 112.96 1wg6 h THR 99 Ca -0.00 -1.95 0.01 0.00 0.77 0.00 0.00 66.41 65.23 1wg6 h THR 99 Cb 0.84 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.91 1wg6 h THR 99 CO 0.06 0.54 -0.10 0.25 0.37 0.00 0.00 175.52 176.64 1wg6 h LEU 100 N -0.37 -0.34 -1.63 2.58 5.85 -1.27 0.79 115.31 120.92 1wg6 h LEU 100 Ca -0.04 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1wg6 h LEU 100 Cb 1.07 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1wg6 h LEU 100 CO 0.07 -0.09 0.51 0.08 -0.34 0.00 0.00 178.44 178.67 1wg6 h ARG 101 N -0.10 0.00 0.08 1.25 0.11 -1.67 0.75 114.38 114.79 1wg6 h ARG 101 Ca 0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wg6 h ARG 101 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1wg6 h ARG 101 CO -0.09 0.00 -0.04 -0.09 0.10 0.00 0.00 179.97 179.85 1wg6 h ARG 102 N 0.00 -0.10 0.00 0.08 2.43 0.18 -3.19 114.38 113.77 1wg6 h ARG 102 Ca 0.07 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1wg6 h ARG 102 Cb 1.10 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1wg6 h ARG 102 CO -0.00 0.33 0.00 0.43 -1.51 0.00 0.00 179.97 179.22 1wg6 n SER 103 N -4.80 0.37 0.02 -3.80 7.64 0.22 0.25 113.62 113.52 1wg6 n SER 103 Ca -0.06 0.66 -0.12 0.00 1.01 0.00 0.00 58.87 60.37 1wg6 n SER 103 Cb 0.23 -0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.63 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 -0.13 0.00 1.43 2.86 -1.14 0.25 114.93 118.20 1wg6 h MET 104 Ca 0.00 0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.35 1wg6 h MET 104 Cb 0.04 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1wg6 h MET 104 CO 0.00 0.37 -2.12 0.43 1.06 0.00 0.00 176.91 176.65 1wg6 n SER 105 N -4.88 0.26 0.09 1.22 7.64 -0.83 -2.63 113.62 114.48 1wg6 n SER 105 Ca -0.08 0.12 -0.05 0.00 1.01 0.00 0.00 58.87 59.87 1wg6 n SER 105 Cb 0.28 0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 64.27 1wg6 n SER 105 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1wg6 h MET 106 N 0.00 -0.28 0.07 1.43 -1.53 0.31 -2.79 114.93 112.13 1wg6 h MET 106 Ca -0.40 0.02 -0.27 0.00 -3.44 0.00 0.00 59.70 55.61 1wg6 h MET 106 Cb 2.01 0.06 0.01 0.00 -0.55 0.00 0.00 31.60 33.14 1wg6 h MET 106 CO 0.04 -0.19 -1.13 0.93 0.14 0.00 0.00 176.91 176.70 1wg6 h GLU 107 N -0.91 0.48 0.00 0.39 5.08 -1.44 -3.08 114.58 115.11 1wg6 h GLU 107 Ca -0.03 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1wg6 h GLU 107 Cb 0.23 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1wg6 h GLU 107 CO 0.05 1.25 0.00 0.41 -1.00 0.00 0.00 179.01 179.72 1wg6 n GLY 108 N 1.24 -0.85 0.06 -3.84 0.00 0.82 0.15 105.19 102.77 1wg6 n GLY 108 Ca -0.10 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.00 0.06 1.61 2.35 -1.39 -0.16 115.58 118.05 1wg6 h ASN 109 Ca 0.00 -0.54 -0.37 0.00 -0.55 0.00 0.00 56.30 54.84 1wg6 h ASN 109 Cb 0.18 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 1wg6 h ASN 109 CO 0.00 0.54 -2.32 2.30 -1.65 0.00 0.00 177.43 176.30 1wg6 n ILE 110 N -4.83 1.51 -0.04 2.81 -0.00 -1.03 -4.45 119.36 113.32 1wg6 n ILE 110 Ca -0.09 -0.70 -0.14 0.00 -0.00 0.00 0.00 62.75 61.83 1wg6 n ILE 110 Cb 0.28 -1.11 -0.09 0.00 -0.00 0.00 0.00 39.64 38.71 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 0.01 0.21 0.00 6.28 2.47 0.12 -3.47 114.38 120.00 1wg6 h ARG 111 Ca -0.52 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.05 1wg6 h ARG 111 Cb 2.04 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.38 1wg6 h ARG 111 CO -0.01 0.74 0.00 0.41 0.56 0.00 0.00 179.97 181.67 1wg6 n GLY 112 N 0.49 0.65 3.83 0.04 0.00 -0.07 -4.95 105.19 105.18 1wg6 n GLY 112 Ca -0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1wg6 n GLY 112 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wg6 s MET 113 N -0.42 1.77 -0.00 1.61 0.23 -1.26 0.33 119.30 121.56 1wg6 s MET 113 Ca 0.00 -1.10 0.01 0.00 -1.03 0.00 0.00 55.69 53.56 1wg6 s MET 113 Cb 0.00 0.52 -0.00 0.00 -1.53 0.00 0.00 34.83 33.82 1wg6 s MET 113 CO 0.00 -0.82 -0.02 -1.50 -2.03 0.00 0.00 175.02 170.64 1wg6 s ILE 114 N -2.61 0.17 0.08 3.16 2.07 0.29 -3.82 121.20 120.54 1wg6 s ILE 114 Ca 0.16 -0.09 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 1wg6 s ILE 114 Cb -0.04 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.35 1wg6 s ILE 114 CO 0.08 0.05 0.06 -1.58 -1.91 0.00 0.00 174.94 171.64 1wg6 s GLN 115 N -0.02 2.80 -0.09 3.50 0.74 -1.26 -0.18 119.66 125.14 1wg6 s GLN 115 Ca 0.01 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.70 1wg6 s GLN 115 Cb -0.01 -2.68 0.02 0.00 1.10 0.00 0.00 33.01 31.44 1wg6 s GLN 115 CO -0.00 0.56 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.73 1wg6 s LEU 116 N -2.31 1.19 -0.26 3.68 1.43 -0.85 -2.48 118.68 119.07 1wg6 s LEU 116 Ca 0.28 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.05 1wg6 s LEU 116 Cb -0.12 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1wg6 s LEU 116 CO 0.20 -0.10 0.12 -0.69 0.23 0.00 0.00 176.35 176.12 1wg6 s VAL 117 N 1.46 4.73 0.20 -1.59 1.01 -1.15 -2.73 120.40 122.33 1wg6 s VAL 117 Ca -0.01 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.03 1wg6 s VAL 117 Cb -0.13 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1wg6 s VAL 117 CO -0.04 0.30 -0.04 0.27 0.00 0.00 0.00 175.10 175.58 1wg6 s ILE 118 N 1.67 3.40 -0.12 2.22 -5.25 -1.09 -1.59 121.20 120.44 1wg6 s ILE 118 Ca 0.07 -1.67 0.00 0.00 -0.99 0.00 0.00 60.65 58.05 1wg6 s ILE 118 Cb -0.15 -2.73 0.02 0.00 2.95 0.00 0.00 42.46 42.55 1wg6 s ILE 118 CO 0.07 -0.19 -0.11 -0.22 -1.79 0.00 0.00 174.94 172.70 1wg6 s LEU 119 N -3.11 1.45 -0.04 0.37 1.98 -1.23 -2.71 118.68 115.39 1wg6 s LEU 119 Ca 0.27 -0.38 0.01 0.00 -2.89 0.00 0.00 54.13 51.15 1wg6 s LEU 119 Cb -0.08 -0.99 0.02 0.00 0.66 0.00 0.00 46.19 45.80 1wg6 s LEU 119 CO 0.17 -0.07 -0.05 -0.60 -1.89 0.00 0.00 176.35 173.92 1wg6 s ARG 120 N 1.49 0.81 0.88 1.98 3.52 -0.38 -4.72 118.95 122.53 1wg6 s ARG 120 Ca 0.03 -0.11 -0.11 0.00 -0.13 0.00 0.00 55.73 55.40 1wg6 s ARG 120 Cb -0.13 -0.81 0.13 0.00 -1.56 0.00 0.00 34.95 32.58 1wg6 s ARG 120 CO -0.08 -0.06 1.16 1.03 -0.81 0.00 0.00 175.30 176.54 1wg6 s ARG 121 N 0.84 1.18 0.00 5.12 0.52 -1.26 -3.11 118.95 122.24 1wg6 s ARG 121 Ca -0.11 1.61 -0.02 0.00 -0.52 0.00 0.00 55.73 56.68 1wg6 s ARG 121 Cb -0.14 -1.74 -0.01 0.00 0.52 0.00 0.00 34.95 33.58 1wg6 s ARG 121 CO 0.00 -2.52 1.03 0.77 0.02 0.00 0.00 175.30 174.61 1wg6 h SER 122 N -1.62 -0.08 0.00 0.23 0.02 -1.94 -3.46 113.55 106.70 1wg6 h SER 122 Ca -0.44 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1wg6 h SER 122 Cb 1.28 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1wg6 h SER 122 CO 0.43 -0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.68 1wg6 n GLY 123 N -1.04 -1.22 0.00 -3.77 0.00 -1.26 -5.01 105.19 92.89 1wg6 n GLY 123 Ca -0.01 0.46 0.10 0.00 0.00 0.00 0.00 46.02 46.57 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 -3.68 1.61 -0.04 -1.26 -4.83 135.00 127.55 1wg6 n PRO 124 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wg6 n PRO 124 Cb 0.00 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.02 1wg6 n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wg6 s SER 125 N -1.90 -0.08 -0.22 3.54 0.15 -1.26 -5.14 113.70 108.79 1wg6 s SER 125 Ca 0.31 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.74 1wg6 s SER 125 Cb 0.14 0.26 0.05 0.00 -1.71 0.00 0.00 66.02 64.76 1wg6 s SER 125 CO 0.24 -0.49 -0.11 -0.55 1.20 0.00 0.00 173.24 173.53 1wg6 s SER 126 N -3.03 3.67 0.00 5.45 0.15 -1.26 -5.15 113.70 113.54 1wg6 s SER 126 Ca 0.15 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1wg6 s SER 126 Cb 0.03 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.01 1wg6 s SER 126 CO -0.02 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.88